USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=28 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 77 GLN : amide:sc= -0.0617 K(o=1.1,f=0.16) USER MOD Set 1.2: A 79 HIS : no HD1:sc= 0.515 K(o=1.1,f=-1.3) USER MOD Set 1.3: A 98 SER OG : rot 180:sc= 0 USER MOD Set 1.4: A 100 LYS NZ :NH3+ 172:sc= 0.646 (180deg=0) USER MOD Set 2.1: A 51 LYS NZ :NH3+ 168:sc= 1.4 (180deg=0.808) USER MOD Set 2.2: A 53 THR OG1 : rot -170:sc= 0.792 USER MOD Single : A 0 MET CE :methyl 166:sc= -0.0259 (180deg=-0.312) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -8 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -175:sc= 0.921 (180deg=0.898) 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 66:sc= 0.887 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 54 TYR OH : rot 140:sc= 0.707 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.178 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0146 X(o=-0.015,f=-0.26) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.202 USER MOD Single : A 68 MET CE :methyl -173:sc= 0 (180deg=-0.204) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.24) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.0343 X(o=-0.034,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 74:sc= 0.478 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -0.589 X(o=-0.59,f=-0.87) USER MOD Single : A 104 LYS NZ :NH3+ -178:sc= 0.389 (180deg=0.388) USER MOD Single : A 106 TYR OH : rot -20:sc= 1.3 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -174:sc=-0.000262 (180deg=-0.0476) USER MOD Single : A 109 MET CE :methyl 154:sc= -0.18 (180deg=-1.58) USER MOD Single : A 111 SER OG : rot -71:sc= 1.26 USER MOD Single : A 112 MET CE :methyl -162:sc= -1.07 (180deg=-1.82) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A -8 -0.651 -3.914 12.957 1.00 0.00 N ATOM 59 CA PHE A -8 -0.741 -3.641 11.519 1.00 0.00 C ATOM 60 C PHE A -8 0.116 -4.538 10.617 1.00 0.00 C ATOM 61 O PHE A -8 -0.389 -5.162 9.684 1.00 0.00 O ATOM 62 CB PHE A -8 -0.539 -2.146 11.215 1.00 0.00 C ATOM 63 CG PHE A -8 -0.328 -1.858 9.738 1.00 0.00 C ATOM 64 CD1 PHE A -8 -1.442 -1.701 8.891 1.00 0.00 C ATOM 65 CD2 PHE A -8 0.970 -1.844 9.193 1.00 0.00 C ATOM 66 CE1 PHE A -8 -1.255 -1.543 7.507 1.00 0.00 C ATOM 67 CE2 PHE A -8 1.155 -1.689 7.808 1.00 0.00 C ATOM 68 CZ PHE A -8 0.042 -1.540 6.966 1.00 0.00 C ATOM 0 H1 PHE A -8 -1.266 -3.255 13.475 1.00 0.00 H new ATOM 0 H2 PHE A -8 -0.955 -4.891 13.145 1.00 0.00 H new ATOM 0 H3 PHE A -8 0.332 -3.790 13.273 1.00 0.00 H new ATOM 0 HA PHE A -8 -1.763 -3.914 11.254 1.00 0.00 H new ATOM 0 HB2 PHE A -8 -1.408 -1.590 11.566 1.00 0.00 H new ATOM 0 HB3 PHE A -8 0.321 -1.781 11.776 1.00 0.00 H new ATOM 0 HD1 PHE A -8 -2.440 -1.702 9.305 1.00 0.00 H new ATOM 0 HD2 PHE A -8 1.827 -1.953 9.841 1.00 0.00 H new ATOM 0 HE1 PHE A -8 -2.110 -1.424 6.858 1.00 0.00 H new ATOM 0 HE2 PHE A -8 2.152 -1.685 7.393 1.00 0.00 H new ATOM 0 HZ PHE A -8 0.182 -1.423 5.902 1.00 0.00 H new ATOM 78 N TRP A -7 1.412 -4.651 10.929 1.00 0.00 N ATOM 79 CA TRP A -7 2.353 -5.426 10.114 1.00 0.00 C ATOM 80 C TRP A -7 2.089 -6.937 10.178 1.00 0.00 C ATOM 81 O TRP A -7 2.237 -7.627 9.174 1.00 0.00 O ATOM 82 CB TRP A -7 3.791 -5.069 10.499 1.00 0.00 C ATOM 83 CG TRP A -7 4.844 -5.749 9.678 1.00 0.00 C ATOM 84 CD1 TRP A -7 5.457 -6.912 9.994 1.00 0.00 C ATOM 85 CD2 TRP A -7 5.210 -5.481 8.286 1.00 0.00 C ATOM 86 NE1 TRP A -7 6.259 -7.320 8.945 1.00 0.00 N ATOM 87 CE2 TRP A -7 6.121 -6.492 7.852 1.00 0.00 C ATOM 88 CE3 TRP A -7 4.858 -4.488 7.343 1.00 0.00 C ATOM 89 CZ2 TRP A -7 6.660 -6.514 6.557 1.00 0.00 C ATOM 90 CZ3 TRP A -7 5.407 -4.492 6.045 1.00 0.00 C ATOM 91 CH2 TRP A -7 6.300 -5.503 5.650 1.00 0.00 C ATOM 0 H TRP A -7 1.835 -4.212 11.747 1.00 0.00 H new ATOM 0 HA TRP A -7 2.198 -5.152 9.070 1.00 0.00 H new ATOM 0 HB2 TRP A -7 3.920 -3.990 10.410 1.00 0.00 H new ATOM 0 HB3 TRP A -7 3.946 -5.323 11.548 1.00 0.00 H new ATOM 0 HD1 TRP A -7 5.338 -7.443 10.927 1.00 0.00 H new ATOM 0 HE1 TRP A -7 6.876 -8.132 8.976 1.00 0.00 H new ATOM 0 HE3 TRP A -7 4.158 -3.715 7.622 1.00 0.00 H new ATOM 0 HZ2 TRP A -7 7.342 -7.297 6.261 1.00 0.00 H new ATOM 0 HZ3 TRP A -7 5.139 -3.712 5.348 1.00 0.00 H new ATOM 0 HH2 TRP A -7 6.709 -5.503 4.650 1.00 0.00 H new ATOM 102 N GLU A -6 1.598 -7.450 11.310 1.00 0.00 N ATOM 103 CA GLU A -6 1.167 -8.854 11.444 1.00 0.00 C ATOM 104 C GLU A -6 -0.057 -9.184 10.564 1.00 0.00 C ATOM 105 O GLU A -6 -0.305 -10.354 10.267 1.00 0.00 O ATOM 106 CB GLU A -6 0.855 -9.180 12.919 1.00 0.00 C ATOM 107 CG GLU A -6 2.001 -8.892 13.907 1.00 0.00 C ATOM 108 CD GLU A -6 3.279 -9.732 13.683 1.00 0.00 C ATOM 109 OE1 GLU A -6 3.248 -10.762 12.969 1.00 0.00 O ATOM 110 OE2 GLU A -6 4.333 -9.370 14.260 1.00 0.00 O ATOM 0 H GLU A -6 1.486 -6.905 12.165 1.00 0.00 H new ATOM 0 HA GLU A -6 1.994 -9.474 11.097 1.00 0.00 H new ATOM 0 HB2 GLU A -6 -0.020 -8.607 13.225 1.00 0.00 H new ATOM 0 HB3 GLU A -6 0.588 -10.234 12.994 1.00 0.00 H new ATOM 0 HG2 GLU A -6 2.262 -7.836 13.841 1.00 0.00 H new ATOM 0 HG3 GLU A -6 1.641 -9.068 14.920 1.00 0.00 H new ATOM 117 N TYR A -5 -0.815 -8.166 10.134 1.00 0.00 N ATOM 118 CA TYR A -5 -1.845 -8.248 9.093 1.00 0.00 C ATOM 119 C TYR A -5 -1.371 -7.987 7.660 1.00 0.00 C ATOM 120 O TYR A -5 -1.782 -8.670 6.723 1.00 0.00 O ATOM 121 CB TYR A -5 -3.087 -7.430 9.465 1.00 0.00 C ATOM 122 CG TYR A -5 -3.998 -8.135 10.445 1.00 0.00 C ATOM 123 CD1 TYR A -5 -4.855 -9.149 9.979 1.00 0.00 C ATOM 124 CD2 TYR A -5 -3.978 -7.797 11.812 1.00 0.00 C ATOM 125 CE1 TYR A -5 -5.688 -9.833 10.880 1.00 0.00 C ATOM 126 CE2 TYR A -5 -4.818 -8.475 12.716 1.00 0.00 C ATOM 127 CZ TYR A -5 -5.674 -9.499 12.252 1.00 0.00 C ATOM 128 OH TYR A -5 -6.493 -10.161 13.114 1.00 0.00 O ATOM 0 H TYR A -5 -0.722 -7.226 10.518 1.00 0.00 H new ATOM 0 HA TYR A -5 -2.124 -9.301 9.070 1.00 0.00 H new ATOM 0 HB2 TYR A -5 -2.772 -6.478 9.893 1.00 0.00 H new ATOM 0 HB3 TYR A -5 -3.648 -7.202 8.559 1.00 0.00 H new ATOM 0 HD1 TYR A -5 -4.872 -9.401 8.929 1.00 0.00 H new ATOM 0 HD2 TYR A -5 -3.319 -7.018 12.167 1.00 0.00 H new ATOM 0 HE1 TYR A -5 -6.340 -10.616 10.523 1.00 0.00 H new ATOM 0 HE2 TYR A -5 -4.808 -8.213 13.764 1.00 0.00 H new ATOM 0 HH TYR A -5 -6.362 -9.814 14.021 1.00 0.00 H new ATOM 138 N TRP A -4 -0.470 -7.020 7.485 1.00 0.00 N ATOM 139 CA TRP A -4 0.082 -6.628 6.185 1.00 0.00 C ATOM 140 C TRP A -4 1.024 -7.697 5.612 1.00 0.00 C ATOM 141 O TRP A -4 1.024 -7.939 4.407 1.00 0.00 O ATOM 142 CB TRP A -4 0.818 -5.297 6.370 1.00 0.00 C ATOM 143 CG TRP A -4 1.145 -4.633 5.078 1.00 0.00 C ATOM 144 CD1 TRP A -4 2.241 -4.881 4.328 1.00 0.00 C ATOM 145 CD2 TRP A -4 0.231 -3.891 4.216 1.00 0.00 C ATOM 146 NE1 TRP A -4 2.103 -4.259 3.107 1.00 0.00 N ATOM 147 CE2 TRP A -4 0.867 -3.674 2.961 1.00 0.00 C ATOM 148 CE3 TRP A -4 -1.088 -3.408 4.357 1.00 0.00 C ATOM 149 CZ2 TRP A -4 0.237 -3.016 1.897 1.00 0.00 C ATOM 150 CZ3 TRP A -4 -1.733 -2.741 3.298 1.00 0.00 C ATOM 151 CH2 TRP A -4 -1.076 -2.545 2.070 1.00 0.00 C ATOM 0 H TRP A -4 -0.094 -6.474 8.260 1.00 0.00 H new ATOM 0 HA TRP A -4 -0.730 -6.521 5.466 1.00 0.00 H new ATOM 0 HB2 TRP A -4 0.203 -4.628 6.972 1.00 0.00 H new ATOM 0 HB3 TRP A -4 1.739 -5.471 6.927 1.00 0.00 H new ATOM 0 HD1 TRP A -4 3.090 -5.473 4.637 1.00 0.00 H new ATOM 0 HE1 TRP A -4 2.832 -4.235 2.394 1.00 0.00 H new ATOM 0 HE3 TRP A -4 -1.610 -3.552 5.291 1.00 0.00 H new ATOM 0 HZ2 TRP A -4 0.752 -2.873 0.959 1.00 0.00 H new ATOM 0 HZ3 TRP A -4 -2.741 -2.377 3.430 1.00 0.00 H new ATOM 0 HH2 TRP A -4 -1.579 -2.034 1.262 1.00 0.00 H new ATOM 162 N LEU A -3 1.769 -8.415 6.456 1.00 0.00 N ATOM 163 CA LEU A -3 2.621 -9.537 6.042 1.00 0.00 C ATOM 164 C LEU A -3 1.822 -10.652 5.335 1.00 0.00 C ATOM 165 O LEU A -3 2.319 -11.300 4.413 1.00 0.00 O ATOM 166 CB LEU A -3 3.343 -10.057 7.299 1.00 0.00 C ATOM 167 CG LEU A -3 4.467 -11.068 7.020 1.00 0.00 C ATOM 168 CD1 LEU A -3 5.697 -10.360 6.449 1.00 0.00 C ATOM 169 CD2 LEU A -3 4.876 -11.752 8.325 1.00 0.00 C ATOM 0 H LEU A -3 1.799 -8.233 7.459 1.00 0.00 H new ATOM 0 HA LEU A -3 3.347 -9.196 5.304 1.00 0.00 H new ATOM 0 HB2 LEU A -3 3.762 -9.208 7.839 1.00 0.00 H new ATOM 0 HB3 LEU A -3 2.609 -10.522 7.957 1.00 0.00 H new ATOM 0 HG LEU A -3 4.097 -11.799 6.301 1.00 0.00 H new ATOM 0 HD11 LEU A -3 6.482 -11.092 6.258 1.00 0.00 H new ATOM 0 HD12 LEU A -3 5.430 -9.862 5.517 1.00 0.00 H new ATOM 0 HD13 LEU A -3 6.056 -9.621 7.165 1.00 0.00 H new ATOM 0 HD21 LEU A -3 5.673 -12.469 8.126 1.00 0.00 H new ATOM 0 HD22 LEU A -3 5.230 -11.003 9.033 1.00 0.00 H new ATOM 0 HD23 LEU A -3 4.017 -12.273 8.748 1.00 0.00 H new ATOM 181 N ARG A -2 0.549 -10.821 5.717 1.00 0.00 N ATOM 182 CA ARG A -2 -0.396 -11.802 5.149 1.00 0.00 C ATOM 183 C ARG A -2 -0.726 -11.510 3.682 1.00 0.00 C ATOM 184 O ARG A -2 -0.971 -12.443 2.919 1.00 0.00 O ATOM 185 CB ARG A -2 -1.667 -11.861 5.986 1.00 0.00 C ATOM 186 CG ARG A -2 -1.344 -12.004 7.475 1.00 0.00 C ATOM 187 CD ARG A -2 -2.585 -12.451 8.226 1.00 0.00 C ATOM 188 NE ARG A -2 -2.438 -12.177 9.667 1.00 0.00 N ATOM 189 CZ ARG A -2 -3.290 -12.461 10.632 1.00 0.00 C ATOM 190 NH1 ARG A -2 -4.397 -13.115 10.414 1.00 0.00 N ATOM 191 NH2 ARG A -2 -3.034 -12.084 11.850 1.00 0.00 N ATOM 0 H ARG A -2 0.130 -10.259 6.458 1.00 0.00 H new ATOM 0 HA ARG A -2 0.093 -12.776 5.177 1.00 0.00 H new ATOM 0 HB2 ARG A -2 -2.254 -10.957 5.824 1.00 0.00 H new ATOM 0 HB3 ARG A -2 -2.280 -12.702 5.662 1.00 0.00 H new ATOM 0 HG2 ARG A -2 -0.542 -12.728 7.615 1.00 0.00 H new ATOM 0 HG3 ARG A -2 -0.989 -11.054 7.873 1.00 0.00 H new ATOM 0 HD2 ARG A -2 -3.460 -11.931 7.838 1.00 0.00 H new ATOM 0 HD3 ARG A -2 -2.751 -13.516 8.067 1.00 0.00 H new ATOM 0 HE ARG A -2 -1.575 -11.713 9.951 1.00 0.00 H new ATOM 0 HH11 ARG A -2 -4.628 -13.426 9.470 1.00 0.00 H new ATOM 0 HH12 ARG A -2 -5.031 -13.316 11.187 1.00 0.00 H new ATOM 0 HH21 ARG A -2 -2.177 -11.571 12.055 1.00 0.00 H new ATOM 0 HH22 ARG A -2 -3.690 -12.302 12.600 1.00 0.00 H new ATOM 205 N LEU A -1 -0.673 -10.236 3.271 1.00 0.00 N ATOM 206 CA LEU A -1 -0.826 -9.836 1.871 1.00 0.00 C ATOM 207 C LEU A -1 0.328 -10.366 1.019 1.00 0.00 C ATOM 208 O LEU A -1 0.090 -11.041 0.020 1.00 0.00 O ATOM 209 CB LEU A -1 -0.874 -8.308 1.730 1.00 0.00 C ATOM 210 CG LEU A -1 -2.156 -7.640 2.229 1.00 0.00 C ATOM 211 CD1 LEU A -1 -1.910 -6.140 2.250 1.00 0.00 C ATOM 212 CD2 LEU A -1 -3.330 -7.911 1.290 1.00 0.00 C ATOM 0 H LEU A -1 -0.522 -9.452 3.906 1.00 0.00 H new ATOM 0 HA LEU A -1 -1.766 -10.263 1.522 1.00 0.00 H new ATOM 0 HB2 LEU A -1 -0.029 -7.884 2.273 1.00 0.00 H new ATOM 0 HB3 LEU A -1 -0.738 -8.053 0.679 1.00 0.00 H new ATOM 0 HG LEU A -1 -2.402 -8.036 3.214 1.00 0.00 H new ATOM 0 HD11 LEU A -1 -2.806 -5.629 2.602 1.00 0.00 H new ATOM 0 HD12 LEU A -1 -1.079 -5.917 2.919 1.00 0.00 H new ATOM 0 HD13 LEU A -1 -1.668 -5.797 1.244 1.00 0.00 H new ATOM 0 HD21 LEU A -1 -4.225 -7.422 1.675 1.00 0.00 H new ATOM 0 HD22 LEU A -1 -3.101 -7.520 0.299 1.00 0.00 H new ATOM 0 HD23 LEU A -1 -3.504 -8.985 1.225 1.00 0.00 H new ATOM 224 N MET A 0 1.577 -10.088 1.410 1.00 0.00 N ATOM 225 CA MET A 0 2.735 -10.514 0.615 1.00 0.00 C ATOM 226 C MET A 0 2.945 -12.039 0.654 1.00 0.00 C ATOM 227 O MET A 0 3.532 -12.599 -0.268 1.00 0.00 O ATOM 228 CB MET A 0 4.006 -9.765 1.032 1.00 0.00 C ATOM 229 CG MET A 0 4.527 -10.141 2.423 1.00 0.00 C ATOM 230 SD MET A 0 6.273 -9.761 2.703 1.00 0.00 S ATOM 231 CE MET A 0 6.160 -7.960 2.705 1.00 0.00 C ATOM 0 H MET A 0 1.811 -9.577 2.261 1.00 0.00 H new ATOM 0 HA MET A 0 2.517 -10.253 -0.421 1.00 0.00 H new ATOM 0 HB2 MET A 0 4.788 -9.961 0.298 1.00 0.00 H new ATOM 0 HB3 MET A 0 3.808 -8.693 1.008 1.00 0.00 H new ATOM 0 HG2 MET A 0 3.931 -9.620 3.172 1.00 0.00 H new ATOM 0 HG3 MET A 0 4.372 -11.209 2.578 1.00 0.00 H new ATOM 0 HE1 MET A 0 7.081 -7.538 3.107 1.00 0.00 H new ATOM 0 HE2 MET A 0 6.012 -7.604 1.686 1.00 0.00 H new ATOM 0 HE3 MET A 0 5.318 -7.649 3.324 1.00 0.00 H new ATOM 241 N GLU A 1 2.439 -12.701 1.701 1.00 0.00 N ATOM 242 CA GLU A 1 2.342 -14.164 1.832 1.00 0.00 C ATOM 243 C GLU A 1 1.356 -14.800 0.820 1.00 0.00 C ATOM 244 O GLU A 1 1.426 -16.001 0.549 1.00 0.00 O ATOM 245 CB GLU A 1 1.970 -14.484 3.293 1.00 0.00 C ATOM 246 CG GLU A 1 1.951 -15.983 3.640 1.00 0.00 C ATOM 247 CD GLU A 1 1.706 -16.277 5.136 1.00 0.00 C ATOM 248 OE1 GLU A 1 1.547 -15.341 5.958 1.00 0.00 O ATOM 249 OE2 GLU A 1 1.667 -17.478 5.502 1.00 0.00 O ATOM 0 H GLU A 1 2.069 -12.213 2.517 1.00 0.00 H new ATOM 0 HA GLU A 1 3.306 -14.610 1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.678 -13.982 3.952 1.00 0.00 H new ATOM 0 HB3 GLU A 1 0.986 -14.064 3.503 1.00 0.00 H new ATOM 0 HG2 GLU A 1 1.174 -16.472 3.052 1.00 0.00 H new ATOM 0 HG3 GLU A 1 2.902 -16.426 3.344 1.00 0.00 H new ATOM 678 N LEU A 33 8.930 -8.503 -12.637 1.00 0.00 N ATOM 679 CA LEU A 33 8.695 -7.070 -12.434 1.00 0.00 C ATOM 680 C LEU A 33 7.302 -6.632 -12.922 1.00 0.00 C ATOM 681 O LEU A 33 6.800 -7.124 -13.935 1.00 0.00 O ATOM 682 CB LEU A 33 9.822 -6.270 -13.118 1.00 0.00 C ATOM 683 CG LEU A 33 11.245 -6.625 -12.634 1.00 0.00 C ATOM 684 CD1 LEU A 33 12.281 -5.955 -13.534 1.00 0.00 C ATOM 685 CD2 LEU A 33 11.492 -6.185 -11.190 1.00 0.00 C ATOM 0 HA LEU A 33 8.711 -6.863 -11.364 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.766 -6.435 -14.194 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.649 -5.207 -12.950 1.00 0.00 H new ATOM 0 HG LEU A 33 11.338 -7.710 -12.681 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.283 -6.209 -13.188 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.152 -6.303 -14.559 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.148 -4.874 -13.499 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.506 -6.456 -10.895 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.369 -5.105 -11.113 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.778 -6.680 -10.532 1.00 0.00 H new ATOM 697 N VAL A 34 6.690 -5.683 -12.205 1.00 0.00 N ATOM 698 CA VAL A 34 5.290 -5.236 -12.409 1.00 0.00 C ATOM 699 C VAL A 34 5.117 -3.968 -13.242 1.00 0.00 C ATOM 700 O VAL A 34 4.026 -3.695 -13.744 1.00 0.00 O ATOM 701 CB VAL A 34 4.527 -5.110 -11.074 1.00 0.00 C ATOM 702 CG1 VAL A 34 4.837 -6.260 -10.123 1.00 0.00 C ATOM 703 CG2 VAL A 34 4.816 -3.805 -10.316 1.00 0.00 C ATOM 0 H VAL A 34 7.158 -5.187 -11.446 1.00 0.00 H new ATOM 0 HA VAL A 34 4.851 -6.035 -13.007 1.00 0.00 H new ATOM 0 HB VAL A 34 3.479 -5.125 -11.372 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.277 -6.128 -9.197 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.552 -7.204 -10.588 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.904 -6.272 -9.903 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.244 -3.789 -9.388 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.880 -3.745 -10.087 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.529 -2.954 -10.934 1.00 0.00 H new ATOM 713 N ARG A 35 6.196 -3.185 -13.348 1.00 0.00 N ATOM 714 CA ARG A 35 6.267 -1.843 -13.954 1.00 0.00 C ATOM 715 C ARG A 35 5.163 -0.884 -13.442 1.00 0.00 C ATOM 716 O ARG A 35 4.223 -0.574 -14.180 1.00 0.00 O ATOM 717 CB ARG A 35 6.320 -1.944 -15.494 1.00 0.00 C ATOM 718 CG ARG A 35 7.531 -2.745 -16.006 1.00 0.00 C ATOM 719 CD ARG A 35 7.631 -2.733 -17.539 1.00 0.00 C ATOM 720 NE ARG A 35 6.475 -3.392 -18.185 1.00 0.00 N ATOM 721 CZ ARG A 35 6.335 -4.677 -18.466 1.00 0.00 C ATOM 722 NH1 ARG A 35 7.237 -5.563 -18.154 1.00 0.00 N ATOM 723 NH2 ARG A 35 5.263 -5.102 -19.072 1.00 0.00 N ATOM 0 H ARG A 35 7.103 -3.487 -12.991 1.00 0.00 H new ATOM 0 HA ARG A 35 7.200 -1.385 -13.626 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.404 -2.413 -15.853 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.351 -0.940 -15.917 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.445 -2.329 -15.581 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.457 -3.775 -15.657 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.700 -1.703 -17.888 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.549 -3.235 -17.844 1.00 0.00 H new ATOM 0 HE ARG A 35 5.696 -2.786 -18.443 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.090 -5.275 -17.675 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.090 -6.545 -18.389 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.529 -4.443 -19.331 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.158 -6.093 -19.287 1.00 0.00 H new ATOM 737 N PRO A 36 5.230 -0.448 -12.165 1.00 0.00 N ATOM 738 CA PRO A 36 4.157 0.311 -11.519 1.00 0.00 C ATOM 739 C PRO A 36 4.015 1.754 -12.038 1.00 0.00 C ATOM 740 O PRO A 36 4.929 2.302 -12.665 1.00 0.00 O ATOM 741 CB PRO A 36 4.479 0.269 -10.024 1.00 0.00 C ATOM 742 CG PRO A 36 5.991 0.088 -9.955 1.00 0.00 C ATOM 743 CD PRO A 36 6.347 -0.646 -11.247 1.00 0.00 C ATOM 0 HA PRO A 36 3.188 -0.134 -11.746 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.168 1.188 -9.527 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.960 -0.552 -9.531 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.503 1.048 -9.890 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.282 -0.489 -9.077 1.00 0.00 H new ATOM 0 HD2 PRO A 36 7.271 -0.254 -11.672 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.508 -1.707 -11.057 1.00 0.00 H new ATOM 751 N LYS A 37 2.869 2.389 -11.746 1.00 0.00 N ATOM 752 CA LYS A 37 2.583 3.802 -12.077 1.00 0.00 C ATOM 753 C LYS A 37 3.608 4.771 -11.455 1.00 0.00 C ATOM 754 O LYS A 37 4.073 4.511 -10.341 1.00 0.00 O ATOM 755 CB LYS A 37 1.149 4.186 -11.646 1.00 0.00 C ATOM 756 CG LYS A 37 0.073 3.405 -12.418 1.00 0.00 C ATOM 757 CD LYS A 37 -1.363 3.938 -12.255 1.00 0.00 C ATOM 758 CE LYS A 37 -1.839 4.111 -10.800 1.00 0.00 C ATOM 759 NZ LYS A 37 -3.313 3.934 -10.697 1.00 0.00 N ATOM 0 H LYS A 37 2.097 1.929 -11.263 1.00 0.00 H new ATOM 0 HA LYS A 37 2.666 3.896 -13.160 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.032 4.000 -10.578 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.000 5.254 -11.802 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.329 3.414 -13.477 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.097 2.365 -12.093 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.435 4.901 -12.761 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.046 3.258 -12.765 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.336 3.385 -10.160 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.562 5.101 -10.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.620 4.138 -9.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.788 4.585 -11.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.563 2.954 -10.940 1.00 0.00 H new ATOM 773 N PRO A 38 3.905 5.930 -12.079 1.00 0.00 N ATOM 774 CA PRO A 38 4.780 6.950 -11.487 1.00 0.00 C ATOM 775 C PRO A 38 4.220 7.515 -10.167 1.00 0.00 C ATOM 776 O PRO A 38 4.983 7.821 -9.249 1.00 0.00 O ATOM 777 CB PRO A 38 4.930 8.033 -12.563 1.00 0.00 C ATOM 778 CG PRO A 38 3.669 7.886 -13.414 1.00 0.00 C ATOM 779 CD PRO A 38 3.407 6.381 -13.374 1.00 0.00 C ATOM 0 HA PRO A 38 5.745 6.526 -11.209 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.000 9.027 -12.122 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.832 7.884 -13.157 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.834 8.453 -13.002 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.824 8.243 -14.432 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.344 6.165 -13.482 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.920 5.872 -14.190 1.00 0.00 H new ATOM 787 N LEU A 39 2.888 7.576 -10.031 1.00 0.00 N ATOM 788 CA LEU A 39 2.198 7.946 -8.789 1.00 0.00 C ATOM 789 C LEU A 39 2.486 6.957 -7.642 1.00 0.00 C ATOM 790 O LEU A 39 2.621 7.368 -6.491 1.00 0.00 O ATOM 791 CB LEU A 39 0.688 8.044 -9.095 1.00 0.00 C ATOM 792 CG LEU A 39 -0.171 8.605 -7.945 1.00 0.00 C ATOM 793 CD1 LEU A 39 0.089 10.098 -7.731 1.00 0.00 C ATOM 794 CD2 LEU A 39 -1.656 8.430 -8.266 1.00 0.00 C ATOM 0 H LEU A 39 2.248 7.365 -10.797 1.00 0.00 H new ATOM 0 HA LEU A 39 2.571 8.909 -8.441 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.550 8.675 -9.973 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.319 7.052 -9.354 1.00 0.00 H new ATOM 0 HG LEU A 39 0.098 8.056 -7.043 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.533 10.462 -6.913 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.140 10.253 -7.485 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.154 10.644 -8.642 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.255 8.829 -7.447 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.895 8.965 -9.185 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.878 7.371 -8.395 1.00 0.00 H new ATOM 806 N LEU A 40 2.620 5.661 -7.953 1.00 0.00 N ATOM 807 CA LEU A 40 3.004 4.639 -6.980 1.00 0.00 C ATOM 808 C LEU A 40 4.499 4.698 -6.667 1.00 0.00 C ATOM 809 O LEU A 40 4.878 4.700 -5.501 1.00 0.00 O ATOM 810 CB LEU A 40 2.580 3.246 -7.479 1.00 0.00 C ATOM 811 CG LEU A 40 2.928 2.114 -6.490 1.00 0.00 C ATOM 812 CD1 LEU A 40 2.247 2.320 -5.135 1.00 0.00 C ATOM 813 CD2 LEU A 40 2.510 0.750 -7.045 1.00 0.00 C ATOM 0 H LEU A 40 2.464 5.294 -8.892 1.00 0.00 H new ATOM 0 HA LEU A 40 2.480 4.839 -6.045 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.505 3.244 -7.660 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.065 3.046 -8.435 1.00 0.00 H new ATOM 0 HG LEU A 40 4.009 2.140 -6.355 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.516 1.503 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.574 3.266 -4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.166 2.338 -5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.767 -0.029 -6.327 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.434 0.742 -7.219 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.031 0.564 -7.984 1.00 0.00 H new ATOM 825 N LEU A 41 5.345 4.813 -7.692 1.00 0.00 N ATOM 826 CA LEU A 41 6.800 4.954 -7.546 1.00 0.00 C ATOM 827 C LEU A 41 7.172 6.116 -6.604 1.00 0.00 C ATOM 828 O LEU A 41 8.035 5.951 -5.743 1.00 0.00 O ATOM 829 CB LEU A 41 7.403 5.092 -8.956 1.00 0.00 C ATOM 830 CG LEU A 41 8.903 5.424 -9.019 1.00 0.00 C ATOM 831 CD1 LEU A 41 9.785 4.367 -8.348 1.00 0.00 C ATOM 832 CD2 LEU A 41 9.341 5.543 -10.479 1.00 0.00 C ATOM 0 H LEU A 41 5.036 4.811 -8.664 1.00 0.00 H new ATOM 0 HA LEU A 41 7.223 4.070 -7.068 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.235 4.159 -9.494 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.856 5.870 -9.489 1.00 0.00 H new ATOM 0 HG LEU A 41 9.031 6.363 -8.480 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.831 4.662 -8.428 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.512 4.280 -7.296 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.640 3.406 -8.841 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.404 5.778 -10.522 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.157 4.599 -10.992 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.774 6.337 -10.965 1.00 0.00 H new ATOM 844 N LYS A 42 6.461 7.249 -6.680 1.00 0.00 N ATOM 845 CA LYS A 42 6.571 8.373 -5.730 1.00 0.00 C ATOM 846 C LYS A 42 6.334 7.952 -4.270 1.00 0.00 C ATOM 847 O LYS A 42 7.080 8.373 -3.386 1.00 0.00 O ATOM 848 CB LYS A 42 5.572 9.462 -6.169 1.00 0.00 C ATOM 849 CG LYS A 42 5.552 10.712 -5.270 1.00 0.00 C ATOM 850 CD LYS A 42 4.351 11.624 -5.567 1.00 0.00 C ATOM 851 CE LYS A 42 4.276 12.162 -7.004 1.00 0.00 C ATOM 852 NZ LYS A 42 5.399 13.085 -7.326 1.00 0.00 N ATOM 0 H LYS A 42 5.778 7.417 -7.418 1.00 0.00 H new ATOM 0 HA LYS A 42 7.591 8.756 -5.754 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.811 9.767 -7.188 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.571 9.031 -6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.522 10.405 -4.225 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.476 11.273 -5.411 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.435 11.072 -5.355 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.380 12.470 -4.881 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.286 11.325 -7.703 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.329 12.684 -7.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.303 13.420 -8.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.377 13.898 -6.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.303 12.582 -7.219 1.00 0.00 H new ATOM 866 N LEU A 43 5.340 7.102 -4.004 1.00 0.00 N ATOM 867 CA LEU A 43 5.046 6.569 -2.666 1.00 0.00 C ATOM 868 C LEU A 43 6.169 5.650 -2.154 1.00 0.00 C ATOM 869 O LEU A 43 6.587 5.778 -1.004 1.00 0.00 O ATOM 870 CB LEU A 43 3.664 5.883 -2.692 1.00 0.00 C ATOM 871 CG LEU A 43 3.151 5.418 -1.316 1.00 0.00 C ATOM 872 CD1 LEU A 43 1.624 5.390 -1.317 1.00 0.00 C ATOM 873 CD2 LEU A 43 3.608 4.001 -0.947 1.00 0.00 C ATOM 0 H LEU A 43 4.704 6.757 -4.723 1.00 0.00 H new ATOM 0 HA LEU A 43 5.005 7.389 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.938 6.574 -3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.714 5.020 -3.357 1.00 0.00 H new ATOM 0 HG LEU A 43 3.559 6.126 -0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.265 5.061 -0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.242 6.389 -1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.273 4.700 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.213 3.735 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.240 3.295 -1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.697 3.965 -0.921 1.00 0.00 H new ATOM 885 N LEU A 44 6.719 4.782 -3.013 1.00 0.00 N ATOM 886 CA LEU A 44 7.876 3.940 -2.664 1.00 0.00 C ATOM 887 C LEU A 44 9.118 4.806 -2.363 1.00 0.00 C ATOM 888 O LEU A 44 9.825 4.593 -1.379 1.00 0.00 O ATOM 889 CB LEU A 44 8.171 2.901 -3.772 1.00 0.00 C ATOM 890 CG LEU A 44 6.962 2.181 -4.405 1.00 0.00 C ATOM 891 CD1 LEU A 44 7.430 1.194 -5.473 1.00 0.00 C ATOM 892 CD2 LEU A 44 6.099 1.423 -3.399 1.00 0.00 C ATOM 0 H LEU A 44 6.379 4.642 -3.964 1.00 0.00 H new ATOM 0 HA LEU A 44 7.625 3.389 -1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.720 3.404 -4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.835 2.143 -3.356 1.00 0.00 H new ATOM 0 HG LEU A 44 6.348 2.971 -4.838 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.566 0.694 -5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.971 1.731 -6.252 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.087 0.452 -5.020 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.270 0.944 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.702 0.664 -2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.708 2.120 -2.657 1.00 0.00 H new ATOM 904 N LYS A 45 9.358 5.844 -3.168 1.00 0.00 N ATOM 905 CA LYS A 45 10.466 6.801 -2.992 1.00 0.00 C ATOM 906 C LYS A 45 10.295 7.742 -1.797 1.00 0.00 C ATOM 907 O LYS A 45 11.296 8.188 -1.239 1.00 0.00 O ATOM 908 CB LYS A 45 10.683 7.570 -4.299 1.00 0.00 C ATOM 909 CG LYS A 45 11.200 6.616 -5.389 1.00 0.00 C ATOM 910 CD LYS A 45 11.170 7.271 -6.767 1.00 0.00 C ATOM 911 CE LYS A 45 12.403 8.134 -6.989 1.00 0.00 C ATOM 912 NZ LYS A 45 12.328 8.909 -8.255 1.00 0.00 N ATOM 0 H LYS A 45 8.777 6.052 -3.980 1.00 0.00 H new ATOM 0 HA LYS A 45 11.359 6.222 -2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.748 8.030 -4.620 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.398 8.377 -4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.219 6.310 -5.153 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.591 5.712 -5.401 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.117 6.502 -7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.272 7.882 -6.864 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.518 8.821 -6.151 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.289 7.500 -7.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.189 9.482 -8.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.244 8.254 -9.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.497 9.534 -8.230 1.00 0.00 H new ATOM 926 N SER A 46 9.065 7.956 -1.324 1.00 0.00 N ATOM 927 CA SER A 46 8.784 8.654 -0.055 1.00 0.00 C ATOM 928 C SER A 46 9.320 7.893 1.171 1.00 0.00 C ATOM 929 O SER A 46 9.573 8.506 2.210 1.00 0.00 O ATOM 930 CB SER A 46 7.281 8.916 0.107 1.00 0.00 C ATOM 931 OG SER A 46 6.814 9.781 -0.916 1.00 0.00 O ATOM 0 H SER A 46 8.224 7.649 -1.812 1.00 0.00 H new ATOM 0 HA SER A 46 9.311 9.607 -0.105 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.736 7.973 0.071 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.086 9.360 1.083 1.00 0.00 H new ATOM 0 HG SER A 46 6.891 9.333 -1.784 1.00 0.00 H new ATOM 937 N VAL A 47 9.551 6.579 1.038 1.00 0.00 N ATOM 938 CA VAL A 47 10.274 5.725 2.007 1.00 0.00 C ATOM 939 C VAL A 47 11.655 5.263 1.495 1.00 0.00 C ATOM 940 O VAL A 47 12.268 4.360 2.069 1.00 0.00 O ATOM 941 CB VAL A 47 9.395 4.577 2.544 1.00 0.00 C ATOM 942 CG1 VAL A 47 8.104 5.112 3.167 1.00 0.00 C ATOM 943 CG2 VAL A 47 9.019 3.538 1.483 1.00 0.00 C ATOM 0 H VAL A 47 9.229 6.057 0.223 1.00 0.00 H new ATOM 0 HA VAL A 47 10.495 6.355 2.869 1.00 0.00 H new ATOM 0 HB VAL A 47 10.011 4.084 3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.506 4.279 3.536 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.348 5.778 3.994 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.537 5.660 2.415 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.401 2.763 1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.463 4.022 0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.925 3.088 1.077 1.00 0.00 H new ATOM 953 N GLY A 48 12.182 5.913 0.450 1.00 0.00 N ATOM 954 CA GLY A 48 13.564 5.768 -0.021 1.00 0.00 C ATOM 955 C GLY A 48 13.846 4.538 -0.891 1.00 0.00 C ATOM 956 O GLY A 48 14.959 4.008 -0.841 1.00 0.00 O ATOM 0 H GLY A 48 11.642 6.574 -0.108 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.830 6.660 -0.588 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.222 5.734 0.847 1.00 0.00 H new ATOM 960 N ALA A 49 12.869 4.057 -1.666 1.00 0.00 N ATOM 961 CA ALA A 49 13.042 2.885 -2.522 1.00 0.00 C ATOM 962 C ALA A 49 13.997 3.193 -3.705 1.00 0.00 C ATOM 963 O ALA A 49 13.878 4.235 -4.359 1.00 0.00 O ATOM 964 CB ALA A 49 11.650 2.411 -2.935 1.00 0.00 C ATOM 0 H ALA A 49 11.938 4.470 -1.716 1.00 0.00 H new ATOM 0 HA ALA A 49 13.532 2.068 -1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.740 1.535 -3.577 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.075 2.152 -2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.141 3.207 -3.477 1.00 0.00 H new ATOM 970 N GLN A 50 14.977 2.314 -3.952 1.00 0.00 N ATOM 971 CA GLN A 50 16.113 2.575 -4.857 1.00 0.00 C ATOM 972 C GLN A 50 15.834 2.372 -6.362 1.00 0.00 C ATOM 973 O GLN A 50 16.350 3.124 -7.195 1.00 0.00 O ATOM 974 CB GLN A 50 17.292 1.701 -4.381 1.00 0.00 C ATOM 975 CG GLN A 50 18.582 1.789 -5.220 1.00 0.00 C ATOM 976 CD GLN A 50 19.243 3.171 -5.241 1.00 0.00 C ATOM 977 OE1 GLN A 50 18.964 4.062 -4.447 1.00 0.00 O ATOM 978 NE2 GLN A 50 20.170 3.404 -6.147 1.00 0.00 N ATOM 0 H GLN A 50 15.007 1.388 -3.525 1.00 0.00 H new ATOM 0 HA GLN A 50 16.340 3.639 -4.793 1.00 0.00 H new ATOM 0 HB2 GLN A 50 17.531 1.977 -3.354 1.00 0.00 H new ATOM 0 HB3 GLN A 50 16.964 0.662 -4.364 1.00 0.00 H new ATOM 0 HG2 GLN A 50 19.299 1.065 -4.834 1.00 0.00 H new ATOM 0 HG3 GLN A 50 18.353 1.496 -6.245 1.00 0.00 H new ATOM 0 HE21 GLN A 50 20.420 2.679 -6.819 1.00 0.00 H new ATOM 0 HE22 GLN A 50 20.638 4.310 -6.177 1.00 0.00 H new ATOM 987 N LYS A 51 15.069 1.336 -6.721 1.00 0.00 N ATOM 988 CA LYS A 51 14.803 0.903 -8.107 1.00 0.00 C ATOM 989 C LYS A 51 13.774 1.756 -8.866 1.00 0.00 C ATOM 990 O LYS A 51 12.990 2.507 -8.288 1.00 0.00 O ATOM 991 CB LYS A 51 14.337 -0.569 -8.089 1.00 0.00 C ATOM 992 CG LYS A 51 15.449 -1.626 -8.001 1.00 0.00 C ATOM 993 CD LYS A 51 16.372 -1.723 -9.232 1.00 0.00 C ATOM 994 CE LYS A 51 15.680 -1.812 -10.605 1.00 0.00 C ATOM 995 NZ LYS A 51 14.686 -2.910 -10.694 1.00 0.00 N ATOM 0 H LYS A 51 14.598 0.750 -6.032 1.00 0.00 H new ATOM 0 HA LYS A 51 15.741 1.028 -8.648 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.665 -0.706 -7.242 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.755 -0.756 -8.992 1.00 0.00 H new ATOM 0 HG2 LYS A 51 16.062 -1.411 -7.125 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.988 -2.600 -7.837 1.00 0.00 H new ATOM 0 HD2 LYS A 51 17.027 -0.852 -9.236 1.00 0.00 H new ATOM 0 HD3 LYS A 51 17.008 -2.600 -9.113 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.184 -0.865 -10.815 1.00 0.00 H new ATOM 0 HE3 LYS A 51 16.437 -1.954 -11.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.116 -2.793 -11.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.181 -3.824 -10.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.063 -2.883 -9.861 1.00 0.00 H new ATOM 1009 N ASP A 52 13.752 1.578 -10.185 1.00 0.00 N ATOM 1010 CA ASP A 52 12.702 2.037 -11.103 1.00 0.00 C ATOM 1011 C ASP A 52 11.587 0.997 -11.365 1.00 0.00 C ATOM 1012 O ASP A 52 10.509 1.349 -11.848 1.00 0.00 O ATOM 1013 CB ASP A 52 13.300 2.584 -12.416 1.00 0.00 C ATOM 1014 CG ASP A 52 14.368 1.709 -13.107 1.00 0.00 C ATOM 1015 OD1 ASP A 52 14.771 0.648 -12.572 1.00 0.00 O ATOM 1016 OD2 ASP A 52 14.822 2.105 -14.208 1.00 0.00 O ATOM 0 H ASP A 52 14.502 1.086 -10.671 1.00 0.00 H new ATOM 0 HA ASP A 52 12.204 2.859 -10.588 1.00 0.00 H new ATOM 0 HB2 ASP A 52 12.484 2.746 -13.121 1.00 0.00 H new ATOM 0 HB3 ASP A 52 13.740 3.559 -12.209 1.00 0.00 H new ATOM 1021 N THR A 53 11.828 -0.277 -11.022 1.00 0.00 N ATOM 1022 CA THR A 53 10.905 -1.416 -11.235 1.00 0.00 C ATOM 1023 C THR A 53 11.018 -2.390 -10.054 1.00 0.00 C ATOM 1024 O THR A 53 12.101 -2.645 -9.516 1.00 0.00 O ATOM 1025 CB THR A 53 11.257 -2.202 -12.511 1.00 0.00 C ATOM 1026 OG1 THR A 53 12.652 -2.393 -12.651 1.00 0.00 O ATOM 1027 CG2 THR A 53 10.739 -1.504 -13.764 1.00 0.00 C ATOM 0 H THR A 53 12.699 -0.559 -10.573 1.00 0.00 H new ATOM 0 HA THR A 53 9.899 -1.007 -11.327 1.00 0.00 H new ATOM 0 HB THR A 53 10.771 -3.172 -12.404 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.845 -2.753 -13.542 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.007 -2.089 -14.644 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.654 -1.411 -13.707 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.185 -0.512 -13.838 1.00 0.00 H new ATOM 1035 N TYR A 54 9.874 -2.976 -9.690 1.00 0.00 N ATOM 1036 CA TYR A 54 9.660 -3.772 -8.476 1.00 0.00 C ATOM 1037 C TYR A 54 8.772 -4.998 -8.713 1.00 0.00 C ATOM 1038 O TYR A 54 8.066 -5.060 -9.722 1.00 0.00 O ATOM 1039 CB TYR A 54 9.005 -2.878 -7.408 1.00 0.00 C ATOM 1040 CG TYR A 54 9.843 -1.695 -6.971 1.00 0.00 C ATOM 1041 CD1 TYR A 54 10.767 -1.832 -5.919 1.00 0.00 C ATOM 1042 CD2 TYR A 54 9.703 -0.460 -7.636 1.00 0.00 C ATOM 1043 CE1 TYR A 54 11.543 -0.730 -5.518 1.00 0.00 C ATOM 1044 CE2 TYR A 54 10.502 0.632 -7.258 1.00 0.00 C ATOM 1045 CZ TYR A 54 11.414 0.501 -6.193 1.00 0.00 C ATOM 1046 OH TYR A 54 12.207 1.545 -5.850 1.00 0.00 O ATOM 0 H TYR A 54 9.031 -2.906 -10.260 1.00 0.00 H new ATOM 0 HA TYR A 54 10.633 -4.138 -8.150 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.055 -2.509 -7.795 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.778 -3.488 -6.533 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.880 -2.783 -5.420 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.983 -0.354 -8.434 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.236 -0.826 -4.695 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.417 1.571 -7.784 1.00 0.00 H new ATOM 0 HH TYR A 54 12.488 2.022 -6.659 1.00 0.00 H new ATOM 1056 N THR A 55 8.783 -5.953 -7.781 1.00 0.00 N ATOM 1057 CA THR A 55 7.820 -7.072 -7.692 1.00 0.00 C ATOM 1058 C THR A 55 6.536 -6.742 -6.917 1.00 0.00 C ATOM 1059 O THR A 55 6.506 -5.754 -6.182 1.00 0.00 O ATOM 1060 CB THR A 55 8.456 -8.376 -7.183 1.00 0.00 C ATOM 1061 OG1 THR A 55 8.405 -8.431 -5.772 1.00 0.00 O ATOM 1062 CG2 THR A 55 9.908 -8.558 -7.612 1.00 0.00 C ATOM 0 H THR A 55 9.482 -5.977 -7.039 1.00 0.00 H new ATOM 0 HA THR A 55 7.515 -7.236 -8.726 1.00 0.00 H new ATOM 0 HB THR A 55 7.871 -9.179 -7.632 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.812 -9.267 -5.462 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.289 -9.499 -7.216 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.967 -8.572 -8.700 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.507 -7.733 -7.227 1.00 0.00 H new ATOM 1070 N MET A 56 5.480 -7.565 -7.008 1.00 0.00 N ATOM 1071 CA MET A 56 4.278 -7.383 -6.175 1.00 0.00 C ATOM 1072 C MET A 56 4.590 -7.440 -4.670 1.00 0.00 C ATOM 1073 O MET A 56 4.091 -6.607 -3.914 1.00 0.00 O ATOM 1074 CB MET A 56 3.205 -8.423 -6.529 1.00 0.00 C ATOM 1075 CG MET A 56 2.742 -8.299 -7.984 1.00 0.00 C ATOM 1076 SD MET A 56 1.201 -9.152 -8.377 1.00 0.00 S ATOM 1077 CE MET A 56 0.154 -7.730 -8.025 1.00 0.00 C ATOM 0 H MET A 56 5.432 -8.359 -7.646 1.00 0.00 H new ATOM 0 HA MET A 56 3.897 -6.385 -6.393 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.601 -9.424 -6.359 1.00 0.00 H new ATOM 0 HB3 MET A 56 2.349 -8.301 -5.865 1.00 0.00 H new ATOM 0 HG2 MET A 56 2.624 -7.242 -8.222 1.00 0.00 H new ATOM 0 HG3 MET A 56 3.528 -8.686 -8.633 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.889 -7.996 -8.195 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.287 -7.428 -6.986 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.429 -6.904 -8.681 1.00 0.00 H new ATOM 1087 N LYS A 57 5.462 -8.363 -4.232 1.00 0.00 N ATOM 1088 CA LYS A 57 5.937 -8.442 -2.842 1.00 0.00 C ATOM 1089 C LYS A 57 6.731 -7.204 -2.424 1.00 0.00 C ATOM 1090 O LYS A 57 6.544 -6.719 -1.313 1.00 0.00 O ATOM 1091 CB LYS A 57 6.738 -9.737 -2.661 1.00 0.00 C ATOM 1092 CG LYS A 57 7.450 -9.798 -1.298 1.00 0.00 C ATOM 1093 CD LYS A 57 7.873 -11.224 -0.951 1.00 0.00 C ATOM 1094 CE LYS A 57 6.681 -12.059 -0.469 1.00 0.00 C ATOM 1095 NZ LYS A 57 7.019 -13.496 -0.343 1.00 0.00 N ATOM 0 H LYS A 57 5.860 -9.081 -4.838 1.00 0.00 H new ATOM 0 HA LYS A 57 5.074 -8.465 -2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.069 -10.592 -2.757 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.477 -9.819 -3.458 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.327 -9.151 -1.315 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.787 -9.415 -0.522 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.320 -11.696 -1.826 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.639 -11.200 -0.176 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.341 -11.681 0.495 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.852 -11.942 -1.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.184 -14.022 -0.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.318 -13.865 -1.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.792 -13.612 0.342 1.00 0.00 H new ATOM 1109 N GLU A 58 7.577 -6.666 -3.299 1.00 0.00 N ATOM 1110 CA GLU A 58 8.340 -5.442 -3.021 1.00 0.00 C ATOM 1111 C GLU A 58 7.463 -4.186 -2.932 1.00 0.00 C ATOM 1112 O GLU A 58 7.645 -3.382 -2.016 1.00 0.00 O ATOM 1113 CB GLU A 58 9.422 -5.251 -4.083 1.00 0.00 C ATOM 1114 CG GLU A 58 10.574 -6.244 -3.901 1.00 0.00 C ATOM 1115 CD GLU A 58 11.635 -6.111 -5.003 1.00 0.00 C ATOM 1116 OE1 GLU A 58 11.324 -5.600 -6.105 1.00 0.00 O ATOM 1117 OE2 GLU A 58 12.794 -6.525 -4.764 1.00 0.00 O ATOM 0 H GLU A 58 7.756 -7.063 -4.222 1.00 0.00 H new ATOM 0 HA GLU A 58 8.795 -5.573 -2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.986 -5.377 -5.074 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.807 -4.233 -4.031 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.040 -6.083 -2.929 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.179 -7.260 -3.900 1.00 0.00 H new ATOM 1124 N VAL A 59 6.480 -4.035 -3.829 1.00 0.00 N ATOM 1125 CA VAL A 59 5.490 -2.946 -3.763 1.00 0.00 C ATOM 1126 C VAL A 59 4.697 -3.064 -2.458 1.00 0.00 C ATOM 1127 O VAL A 59 4.577 -2.072 -1.741 1.00 0.00 O ATOM 1128 CB VAL A 59 4.542 -2.969 -4.979 1.00 0.00 C ATOM 1129 CG1 VAL A 59 3.365 -1.995 -4.825 1.00 0.00 C ATOM 1130 CG2 VAL A 59 5.287 -2.576 -6.262 1.00 0.00 C ATOM 0 H VAL A 59 6.346 -4.663 -4.622 1.00 0.00 H new ATOM 0 HA VAL A 59 6.018 -1.993 -3.784 1.00 0.00 H new ATOM 0 HB VAL A 59 4.166 -3.990 -5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.729 -2.051 -5.708 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.785 -2.262 -3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.745 -0.979 -4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.597 -2.600 -7.105 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.693 -1.570 -6.154 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.101 -3.279 -6.440 1.00 0.00 H new ATOM 1140 N LEU A 60 4.207 -4.263 -2.108 1.00 0.00 N ATOM 1141 CA LEU A 60 3.513 -4.500 -0.836 1.00 0.00 C ATOM 1142 C LEU A 60 4.419 -4.164 0.360 1.00 0.00 C ATOM 1143 O LEU A 60 3.988 -3.440 1.253 1.00 0.00 O ATOM 1144 CB LEU A 60 3.026 -5.960 -0.747 1.00 0.00 C ATOM 1145 CG LEU A 60 1.784 -6.281 -1.599 1.00 0.00 C ATOM 1146 CD1 LEU A 60 1.574 -7.795 -1.626 1.00 0.00 C ATOM 1147 CD2 LEU A 60 0.512 -5.647 -1.031 1.00 0.00 C ATOM 0 H LEU A 60 4.281 -5.092 -2.698 1.00 0.00 H new ATOM 0 HA LEU A 60 2.646 -3.841 -0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.839 -6.618 -1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.804 -6.191 0.295 1.00 0.00 H new ATOM 0 HG LEU A 60 1.962 -5.877 -2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.696 -8.030 -2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.451 -8.276 -2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.426 -8.160 -0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.336 -5.902 -1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.337 -6.023 -0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.629 -4.564 -0.999 1.00 0.00 H new ATOM 1159 N PHE A 61 5.672 -4.629 0.376 1.00 0.00 N ATOM 1160 CA PHE A 61 6.657 -4.288 1.407 1.00 0.00 C ATOM 1161 C PHE A 61 6.836 -2.789 1.664 1.00 0.00 C ATOM 1162 O PHE A 61 6.574 -2.297 2.764 1.00 0.00 O ATOM 1163 CB PHE A 61 7.987 -5.033 1.185 1.00 0.00 C ATOM 1164 CG PHE A 61 9.167 -4.496 1.979 1.00 0.00 C ATOM 1165 CD1 PHE A 61 9.412 -4.967 3.284 1.00 0.00 C ATOM 1166 CD2 PHE A 61 10.014 -3.517 1.424 1.00 0.00 C ATOM 1167 CE1 PHE A 61 10.481 -4.447 4.036 1.00 0.00 C ATOM 1168 CE2 PHE A 61 11.081 -2.995 2.177 1.00 0.00 C ATOM 1169 CZ PHE A 61 11.314 -3.457 3.484 1.00 0.00 C ATOM 0 H PHE A 61 6.036 -5.262 -0.337 1.00 0.00 H new ATOM 0 HA PHE A 61 6.232 -4.650 2.343 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.845 -6.083 1.441 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.235 -4.994 0.124 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.777 -5.730 3.709 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.844 -3.166 0.417 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.662 -4.808 5.038 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.722 -2.238 1.750 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.131 -3.053 4.063 1.00 0.00 H new ATOM 1179 N TYR A 62 7.206 -2.052 0.615 1.00 0.00 N ATOM 1180 CA TYR A 62 7.358 -0.600 0.669 1.00 0.00 C ATOM 1181 C TYR A 62 6.096 0.197 1.027 1.00 0.00 C ATOM 1182 O TYR A 62 6.165 1.162 1.788 1.00 0.00 O ATOM 1183 CB TYR A 62 8.051 -0.076 -0.594 1.00 0.00 C ATOM 1184 CG TYR A 62 9.552 -0.298 -0.674 1.00 0.00 C ATOM 1185 CD1 TYR A 62 10.413 0.306 0.262 1.00 0.00 C ATOM 1186 CD2 TYR A 62 10.093 -1.075 -1.719 1.00 0.00 C ATOM 1187 CE1 TYR A 62 11.809 0.156 0.148 1.00 0.00 C ATOM 1188 CE2 TYR A 62 11.487 -1.241 -1.828 1.00 0.00 C ATOM 1189 CZ TYR A 62 12.350 -0.617 -0.903 1.00 0.00 C ATOM 1190 OH TYR A 62 13.698 -0.759 -1.034 1.00 0.00 O ATOM 0 H TYR A 62 7.410 -2.450 -0.302 1.00 0.00 H new ATOM 0 HA TYR A 62 8.006 -0.419 1.527 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.588 -0.548 -1.460 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.858 0.994 -0.673 1.00 0.00 H new ATOM 0 HD1 TYR A 62 10.000 0.888 1.073 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.437 -1.544 -2.437 1.00 0.00 H new ATOM 0 HE1 TYR A 62 12.464 0.631 0.863 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.897 -1.848 -2.622 1.00 0.00 H new ATOM 0 HH TYR A 62 13.893 -1.324 -1.810 1.00 0.00 H new ATOM 1200 N LEU A 63 4.931 -0.244 0.542 1.00 0.00 N ATOM 1201 CA LEU A 63 3.630 0.317 0.895 1.00 0.00 C ATOM 1202 C LEU A 63 3.292 0.098 2.382 1.00 0.00 C ATOM 1203 O LEU A 63 2.883 1.038 3.060 1.00 0.00 O ATOM 1204 CB LEU A 63 2.584 -0.279 -0.065 1.00 0.00 C ATOM 1205 CG LEU A 63 1.124 0.076 0.245 1.00 0.00 C ATOM 1206 CD1 LEU A 63 0.893 1.581 0.306 1.00 0.00 C ATOM 1207 CD2 LEU A 63 0.213 -0.493 -0.846 1.00 0.00 C ATOM 0 H LEU A 63 4.869 -1.017 -0.120 1.00 0.00 H new ATOM 0 HA LEU A 63 3.639 1.400 0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.814 0.055 -1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.685 -1.364 -0.056 1.00 0.00 H new ATOM 0 HG LEU A 63 0.895 -0.353 1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.156 1.779 0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.518 2.014 1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.151 2.028 -0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.823 -0.239 -0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.491 -0.068 -1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.322 -1.577 -0.882 1.00 0.00 H new ATOM 1219 N GLY A 64 3.537 -1.096 2.928 1.00 0.00 N ATOM 1220 CA GLY A 64 3.352 -1.374 4.356 1.00 0.00 C ATOM 1221 C GLY A 64 4.281 -0.543 5.249 1.00 0.00 C ATOM 1222 O GLY A 64 3.835 0.041 6.237 1.00 0.00 O ATOM 0 H GLY A 64 3.869 -1.898 2.393 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.316 -1.172 4.629 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.530 -2.433 4.541 1.00 0.00 H new ATOM 1226 N GLN A 65 5.554 -0.402 4.860 1.00 0.00 N ATOM 1227 CA GLN A 65 6.502 0.509 5.518 1.00 0.00 C ATOM 1228 C GLN A 65 6.045 1.980 5.450 1.00 0.00 C ATOM 1229 O GLN A 65 6.195 2.716 6.430 1.00 0.00 O ATOM 1230 CB GLN A 65 7.906 0.343 4.903 1.00 0.00 C ATOM 1231 CG GLN A 65 8.551 -1.031 5.179 1.00 0.00 C ATOM 1232 CD GLN A 65 8.877 -1.296 6.649 1.00 0.00 C ATOM 1233 OE1 GLN A 65 9.093 -0.401 7.456 1.00 0.00 O ATOM 1234 NE2 GLN A 65 8.938 -2.546 7.056 1.00 0.00 N ATOM 0 H GLN A 65 5.958 -0.917 4.078 1.00 0.00 H new ATOM 0 HA GLN A 65 6.538 0.240 6.574 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.840 0.492 3.825 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.558 1.124 5.294 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.879 -1.812 4.823 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.469 -1.111 4.597 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.761 -3.306 6.399 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.162 -2.755 8.029 1.00 0.00 H new ATOM 1243 N TYR A 66 5.427 2.400 4.340 1.00 0.00 N ATOM 1244 CA TYR A 66 4.817 3.721 4.198 1.00 0.00 C ATOM 1245 C TYR A 66 3.630 3.964 5.134 1.00 0.00 C ATOM 1246 O TYR A 66 3.612 4.941 5.882 1.00 0.00 O ATOM 1247 CB TYR A 66 4.549 4.045 2.719 1.00 0.00 C ATOM 1248 CG TYR A 66 3.716 5.286 2.452 1.00 0.00 C ATOM 1249 CD1 TYR A 66 2.309 5.228 2.495 1.00 0.00 C ATOM 1250 CD2 TYR A 66 4.357 6.495 2.116 1.00 0.00 C ATOM 1251 CE1 TYR A 66 1.548 6.376 2.205 1.00 0.00 C ATOM 1252 CE2 TYR A 66 3.598 7.641 1.807 1.00 0.00 C ATOM 1253 CZ TYR A 66 2.188 7.579 1.842 1.00 0.00 C ATOM 1254 OH TYR A 66 1.441 8.674 1.533 1.00 0.00 O ATOM 0 H TYR A 66 5.337 1.821 3.505 1.00 0.00 H new ATOM 0 HA TYR A 66 5.546 4.453 4.545 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.508 4.159 2.213 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.048 3.190 2.265 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.814 4.303 2.751 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.436 6.543 2.095 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.470 6.335 2.261 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.093 8.564 1.544 1.00 0.00 H new ATOM 0 HH TYR A 66 2.034 9.421 1.306 1.00 0.00 H new ATOM 1264 N ILE A 67 2.689 3.017 5.176 1.00 0.00 N ATOM 1265 CA ILE A 67 1.507 3.056 6.049 1.00 0.00 C ATOM 1266 C ILE A 67 1.902 3.111 7.534 1.00 0.00 C ATOM 1267 O ILE A 67 1.288 3.860 8.295 1.00 0.00 O ATOM 1268 CB ILE A 67 0.576 1.861 5.738 1.00 0.00 C ATOM 1269 CG1 ILE A 67 -0.009 1.974 4.311 1.00 0.00 C ATOM 1270 CG2 ILE A 67 -0.571 1.768 6.762 1.00 0.00 C ATOM 1271 CD1 ILE A 67 -0.505 0.635 3.748 1.00 0.00 C ATOM 0 H ILE A 67 2.726 2.182 4.592 1.00 0.00 H new ATOM 0 HA ILE A 67 0.955 3.973 5.844 1.00 0.00 H new ATOM 0 HB ILE A 67 1.177 0.954 5.804 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.836 2.684 4.320 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.753 2.380 3.645 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.209 0.919 6.518 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.157 1.635 7.761 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.160 2.685 6.733 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.902 0.787 2.745 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.324 -0.072 3.707 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.289 0.237 4.392 1.00 0.00 H new ATOM 1283 N MET A 68 2.955 2.387 7.937 1.00 0.00 N ATOM 1284 CA MET A 68 3.520 2.459 9.291 1.00 0.00 C ATOM 1285 C MET A 68 4.139 3.820 9.624 1.00 0.00 C ATOM 1286 O MET A 68 3.745 4.440 10.613 1.00 0.00 O ATOM 1287 CB MET A 68 4.550 1.347 9.524 1.00 0.00 C ATOM 1288 CG MET A 68 3.854 -0.003 9.712 1.00 0.00 C ATOM 1289 SD MET A 68 4.922 -1.349 10.285 1.00 0.00 S ATOM 1290 CE MET A 68 5.993 -1.534 8.838 1.00 0.00 C ATOM 0 H MET A 68 3.442 1.730 7.328 1.00 0.00 H new ATOM 0 HA MET A 68 2.676 2.319 9.966 1.00 0.00 H new ATOM 0 HB2 MET A 68 5.234 1.294 8.677 1.00 0.00 H new ATOM 0 HB3 MET A 68 5.150 1.578 10.404 1.00 0.00 H new ATOM 0 HG2 MET A 68 3.040 0.122 10.426 1.00 0.00 H new ATOM 0 HG3 MET A 68 3.404 -0.297 8.764 1.00 0.00 H new ATOM 0 HE1 MET A 68 6.634 -2.406 8.969 1.00 0.00 H new ATOM 0 HE2 MET A 68 5.380 -1.664 7.946 1.00 0.00 H new ATOM 0 HE3 MET A 68 6.611 -0.643 8.727 1.00 0.00 H new ATOM 1300 N THR A 69 5.076 4.318 8.808 1.00 0.00 N ATOM 1301 CA THR A 69 5.732 5.616 9.060 1.00 0.00 C ATOM 1302 C THR A 69 4.800 6.834 9.014 1.00 0.00 C ATOM 1303 O THR A 69 4.947 7.781 9.793 1.00 0.00 O ATOM 1304 CB THR A 69 7.016 5.777 8.228 1.00 0.00 C ATOM 1305 OG1 THR A 69 7.882 6.697 8.856 1.00 0.00 O ATOM 1306 CG2 THR A 69 6.771 6.274 6.805 1.00 0.00 C ATOM 0 H THR A 69 5.400 3.844 7.965 1.00 0.00 H new ATOM 0 HA THR A 69 6.038 5.589 10.106 1.00 0.00 H new ATOM 0 HB THR A 69 7.452 4.780 8.166 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.698 6.794 8.323 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.723 6.362 6.281 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.131 5.567 6.278 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.284 7.248 6.839 1.00 0.00 H new ATOM 1314 N LYS A 70 3.774 6.773 8.154 1.00 0.00 N ATOM 1315 CA LYS A 70 2.670 7.746 8.053 1.00 0.00 C ATOM 1316 C LYS A 70 1.569 7.561 9.113 1.00 0.00 C ATOM 1317 O LYS A 70 0.770 8.476 9.317 1.00 0.00 O ATOM 1318 CB LYS A 70 2.068 7.639 6.643 1.00 0.00 C ATOM 1319 CG LYS A 70 3.014 8.073 5.507 1.00 0.00 C ATOM 1320 CD LYS A 70 3.015 9.581 5.220 1.00 0.00 C ATOM 1321 CE LYS A 70 1.647 10.011 4.678 1.00 0.00 C ATOM 1322 NZ LYS A 70 1.630 11.416 4.206 1.00 0.00 N ATOM 0 H LYS A 70 3.684 6.013 7.480 1.00 0.00 H new ATOM 0 HA LYS A 70 3.087 8.735 8.240 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.763 6.607 6.470 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.166 8.249 6.600 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.028 7.763 5.758 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.735 7.543 4.596 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.244 10.133 6.131 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.794 9.822 4.497 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.364 9.353 3.856 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.897 9.886 5.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.669 11.667 3.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.921 12.046 4.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.288 11.522 3.408 1.00 0.00 H new ATOM 1336 N ARG A 71 1.506 6.391 9.769 1.00 0.00 N ATOM 1337 CA ARG A 71 0.508 5.964 10.762 1.00 0.00 C ATOM 1338 C ARG A 71 -0.941 6.128 10.272 1.00 0.00 C ATOM 1339 O ARG A 71 -1.788 6.690 10.968 1.00 0.00 O ATOM 1340 CB ARG A 71 0.814 6.627 12.116 1.00 0.00 C ATOM 1341 CG ARG A 71 0.306 5.737 13.257 1.00 0.00 C ATOM 1342 CD ARG A 71 0.319 6.452 14.614 1.00 0.00 C ATOM 1343 NE ARG A 71 -0.694 7.525 14.668 1.00 0.00 N ATOM 1344 CZ ARG A 71 -0.797 8.474 15.582 1.00 0.00 C ATOM 1345 NH1 ARG A 71 0.010 8.549 16.603 1.00 0.00 N ATOM 1346 NH2 ARG A 71 -1.730 9.379 15.486 1.00 0.00 N ATOM 0 H ARG A 71 2.204 5.665 9.607 1.00 0.00 H new ATOM 0 HA ARG A 71 0.592 4.887 10.909 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.887 6.788 12.218 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.339 7.607 12.167 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.709 5.410 13.033 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.924 4.841 13.317 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.130 5.731 15.409 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.308 6.874 14.795 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.388 7.535 13.921 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.753 7.860 16.717 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.102 9.297 17.288 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.384 9.356 14.703 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.806 10.110 16.193 1.00 0.00 H new ATOM 1360 N LEU A 72 -1.218 5.658 9.052 1.00 0.00 N ATOM 1361 CA LEU A 72 -2.535 5.803 8.403 1.00 0.00 C ATOM 1362 C LEU A 72 -3.619 4.868 8.968 1.00 0.00 C ATOM 1363 O LEU A 72 -4.792 5.037 8.639 1.00 0.00 O ATOM 1364 CB LEU A 72 -2.420 5.627 6.875 1.00 0.00 C ATOM 1365 CG LEU A 72 -1.432 6.577 6.184 1.00 0.00 C ATOM 1366 CD1 LEU A 72 -1.376 6.285 4.687 1.00 0.00 C ATOM 1367 CD2 LEU A 72 -1.824 8.041 6.377 1.00 0.00 C ATOM 0 H LEU A 72 -0.534 5.163 8.479 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.860 6.818 8.630 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.121 4.600 6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.406 5.769 6.433 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.457 6.410 6.641 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.672 6.966 4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.051 5.257 4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.366 6.423 4.252 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.100 8.681 5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.814 8.211 5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.838 8.277 7.441 1.00 0.00 H new ATOM 1379 N TYR A 73 -3.262 3.884 9.796 1.00 0.00 N ATOM 1380 CA TYR A 73 -4.244 3.035 10.483 1.00 0.00 C ATOM 1381 C TYR A 73 -5.107 3.715 11.563 1.00 0.00 C ATOM 1382 O TYR A 73 -4.661 4.666 12.208 1.00 0.00 O ATOM 1383 CB TYR A 73 -3.661 1.688 10.928 1.00 0.00 C ATOM 1384 CG TYR A 73 -2.322 1.779 11.635 1.00 0.00 C ATOM 1385 CD1 TYR A 73 -2.276 2.185 12.984 1.00 0.00 C ATOM 1386 CD2 TYR A 73 -1.131 1.461 10.954 1.00 0.00 C ATOM 1387 CE1 TYR A 73 -1.042 2.279 13.654 1.00 0.00 C ATOM 1388 CE2 TYR A 73 0.104 1.549 11.623 1.00 0.00 C ATOM 1389 CZ TYR A 73 0.153 1.961 12.972 1.00 0.00 C ATOM 1390 OH TYR A 73 1.354 2.052 13.605 1.00 0.00 O ATOM 0 H TYR A 73 -2.292 3.652 10.010 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.974 2.824 9.701 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.375 1.200 11.592 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.551 1.048 10.053 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.191 2.425 13.505 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.165 1.150 9.920 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.009 2.593 14.687 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.017 1.300 11.103 1.00 0.00 H new ATOM 0 HH TYR A 73 2.070 1.795 12.987 1.00 0.00 H new ATOM 1400 N ASP A 74 -6.330 3.224 11.792 1.00 0.00 N ATOM 1401 CA ASP A 74 -7.180 3.679 12.903 1.00 0.00 C ATOM 1402 C ASP A 74 -6.564 3.434 14.297 1.00 0.00 C ATOM 1403 O ASP A 74 -6.095 2.333 14.586 1.00 0.00 O ATOM 1404 CB ASP A 74 -8.625 3.177 12.742 1.00 0.00 C ATOM 1405 CG ASP A 74 -9.543 3.315 13.964 1.00 0.00 C ATOM 1406 OD1 ASP A 74 -9.386 4.264 14.765 1.00 0.00 O ATOM 1407 OD2 ASP A 74 -10.456 2.474 14.109 1.00 0.00 O ATOM 0 H ASP A 74 -6.760 2.501 11.215 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.231 4.766 12.844 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -9.081 3.715 11.911 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.590 2.125 12.460 1.00 0.00 H new ATOM 1412 N GLU A 75 -6.565 4.440 15.178 1.00 0.00 N ATOM 1413 CA GLU A 75 -6.067 4.316 16.557 1.00 0.00 C ATOM 1414 C GLU A 75 -6.832 3.266 17.392 1.00 0.00 C ATOM 1415 O GLU A 75 -6.255 2.682 18.314 1.00 0.00 O ATOM 1416 CB GLU A 75 -6.083 5.693 17.247 1.00 0.00 C ATOM 1417 CG GLU A 75 -7.481 6.323 17.403 1.00 0.00 C ATOM 1418 CD GLU A 75 -7.463 7.726 18.050 1.00 0.00 C ATOM 1419 OE1 GLU A 75 -6.400 8.204 18.518 1.00 0.00 O ATOM 1420 OE2 GLU A 75 -8.540 8.371 18.104 1.00 0.00 O ATOM 0 H GLU A 75 -6.914 5.372 14.955 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.041 3.953 16.494 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.633 5.594 18.235 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.454 6.376 16.677 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.950 6.392 16.422 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.102 5.662 18.008 1.00 0.00 H new ATOM 1427 N LYS A 76 -8.103 2.990 17.057 1.00 0.00 N ATOM 1428 CA LYS A 76 -8.895 1.880 17.618 1.00 0.00 C ATOM 1429 C LYS A 76 -8.612 0.574 16.871 1.00 0.00 C ATOM 1430 O LYS A 76 -7.994 -0.337 17.423 1.00 0.00 O ATOM 1431 CB LYS A 76 -10.403 2.212 17.636 1.00 0.00 C ATOM 1432 CG LYS A 76 -10.707 3.520 18.376 1.00 0.00 C ATOM 1433 CD LYS A 76 -12.211 3.830 18.477 1.00 0.00 C ATOM 1434 CE LYS A 76 -13.036 2.820 19.293 1.00 0.00 C ATOM 1435 NZ LYS A 76 -12.657 2.803 20.732 1.00 0.00 N ATOM 0 H LYS A 76 -8.621 3.543 16.374 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.587 1.741 18.654 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.768 2.285 16.612 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.946 1.395 18.111 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.286 3.467 19.380 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.208 4.343 17.864 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.333 4.818 18.922 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.623 3.881 17.469 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.095 3.064 19.203 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.901 1.823 18.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.242 2.107 21.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.654 2.544 20.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.810 3.746 21.143 1.00 0.00 H new ATOM 1449 N GLN A 77 -9.047 0.490 15.613 1.00 0.00 N ATOM 1450 CA GLN A 77 -8.870 -0.684 14.748 1.00 0.00 C ATOM 1451 C GLN A 77 -7.584 -0.566 13.916 1.00 0.00 C ATOM 1452 O GLN A 77 -7.607 -0.194 12.743 1.00 0.00 O ATOM 1453 CB GLN A 77 -10.111 -0.901 13.859 1.00 0.00 C ATOM 1454 CG GLN A 77 -11.453 -0.991 14.608 1.00 0.00 C ATOM 1455 CD GLN A 77 -11.532 -2.082 15.677 1.00 0.00 C ATOM 1456 OE1 GLN A 77 -10.759 -3.032 15.727 1.00 0.00 O ATOM 1457 NE2 GLN A 77 -12.487 -2.001 16.580 1.00 0.00 N ATOM 0 H GLN A 77 -9.544 1.253 15.154 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.764 -1.564 15.382 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.170 -0.083 13.141 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -9.971 -1.818 13.287 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.653 -0.029 15.079 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -12.246 -1.160 13.880 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -13.143 -1.220 16.560 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -12.571 -2.719 17.300 1.00 0.00 H new ATOM 1466 N GLN A 78 -6.440 -0.923 14.505 1.00 0.00 N ATOM 1467 CA GLN A 78 -5.120 -0.769 13.868 1.00 0.00 C ATOM 1468 C GLN A 78 -4.883 -1.723 12.679 1.00 0.00 C ATOM 1469 O GLN A 78 -3.893 -1.598 11.963 1.00 0.00 O ATOM 1470 CB GLN A 78 -4.006 -0.803 14.931 1.00 0.00 C ATOM 1471 CG GLN A 78 -3.969 -2.069 15.808 1.00 0.00 C ATOM 1472 CD GLN A 78 -3.063 -1.918 17.032 1.00 0.00 C ATOM 1473 OE1 GLN A 78 -2.123 -2.672 17.238 1.00 0.00 O ATOM 1474 NE2 GLN A 78 -3.250 -0.915 17.863 1.00 0.00 N ATOM 0 H GLN A 78 -6.398 -1.329 15.440 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.095 0.216 13.403 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.044 -0.701 14.428 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.120 0.065 15.580 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.980 -2.306 16.138 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.624 -2.911 15.208 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.026 -0.269 17.717 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -2.619 -0.783 18.653 1.00 0.00 H new ATOM 1483 N HIS A 79 -5.816 -2.647 12.429 1.00 0.00 N ATOM 1484 CA HIS A 79 -5.875 -3.488 11.231 1.00 0.00 C ATOM 1485 C HIS A 79 -6.681 -2.855 10.068 1.00 0.00 C ATOM 1486 O HIS A 79 -6.865 -3.497 9.032 1.00 0.00 O ATOM 1487 CB HIS A 79 -6.412 -4.866 11.644 1.00 0.00 C ATOM 1488 CG HIS A 79 -7.878 -4.899 12.001 1.00 0.00 C ATOM 1489 ND1 HIS A 79 -8.427 -4.747 13.256 1.00 0.00 N ATOM 1490 CD2 HIS A 79 -8.913 -5.142 11.138 1.00 0.00 C ATOM 1491 CE1 HIS A 79 -9.759 -4.892 13.153 1.00 0.00 C ATOM 1492 NE2 HIS A 79 -10.101 -5.163 11.881 1.00 0.00 N ATOM 0 H HIS A 79 -6.578 -2.836 13.080 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.869 -3.591 10.823 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.236 -5.567 10.828 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.837 -5.222 12.499 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -8.829 -5.291 10.072 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -10.455 -4.804 13.974 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -11.040 -5.347 11.527 1.00 0.00 H new ATOM 1500 N ILE A 80 -7.172 -1.614 10.215 1.00 0.00 N ATOM 1501 CA ILE A 80 -7.925 -0.861 9.196 1.00 0.00 C ATOM 1502 C ILE A 80 -7.181 0.433 8.839 1.00 0.00 C ATOM 1503 O ILE A 80 -6.867 1.239 9.716 1.00 0.00 O ATOM 1504 CB ILE A 80 -9.378 -0.586 9.664 1.00 0.00 C ATOM 1505 CG1 ILE A 80 -10.066 -1.886 10.146 1.00 0.00 C ATOM 1506 CG2 ILE A 80 -10.193 0.082 8.540 1.00 0.00 C ATOM 1507 CD1 ILE A 80 -11.540 -1.738 10.543 1.00 0.00 C ATOM 0 H ILE A 80 -7.051 -1.086 11.080 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.995 -1.466 8.292 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.335 0.100 10.510 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.993 -2.631 9.354 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.513 -2.275 11.001 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.209 0.267 8.888 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.726 1.028 8.265 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.221 -0.575 7.671 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.929 -2.704 10.865 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.627 -1.021 11.359 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.114 -1.384 9.687 1.00 0.00 H new ATOM 1519 N VAL A 81 -6.901 0.635 7.548 1.00 0.00 N ATOM 1520 CA VAL A 81 -6.210 1.811 6.990 1.00 0.00 C ATOM 1521 C VAL A 81 -7.179 2.917 6.572 1.00 0.00 C ATOM 1522 O VAL A 81 -8.175 2.641 5.906 1.00 0.00 O ATOM 1523 CB VAL A 81 -5.263 1.443 5.825 1.00 0.00 C ATOM 1524 CG1 VAL A 81 -4.280 2.580 5.514 1.00 0.00 C ATOM 1525 CG2 VAL A 81 -4.437 0.184 6.119 1.00 0.00 C ATOM 0 H VAL A 81 -7.159 -0.042 6.830 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.597 2.202 7.802 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.915 1.261 4.970 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.631 2.284 4.690 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.836 3.475 5.235 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.674 2.789 6.396 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.788 -0.032 5.270 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.829 0.348 7.008 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.107 -0.659 6.288 1.00 0.00 H new ATOM 1535 N TYR A 82 -6.863 4.167 6.919 1.00 0.00 N ATOM 1536 CA TYR A 82 -7.595 5.391 6.576 1.00 0.00 C ATOM 1537 C TYR A 82 -6.855 6.340 5.625 1.00 0.00 C ATOM 1538 O TYR A 82 -6.431 7.438 5.993 1.00 0.00 O ATOM 1539 CB TYR A 82 -8.213 6.044 7.821 1.00 0.00 C ATOM 1540 CG TYR A 82 -9.420 5.297 8.352 1.00 0.00 C ATOM 1541 CD1 TYR A 82 -9.232 4.169 9.173 1.00 0.00 C ATOM 1542 CD2 TYR A 82 -10.723 5.709 8.011 1.00 0.00 C ATOM 1543 CE1 TYR A 82 -10.342 3.453 9.655 1.00 0.00 C ATOM 1544 CE2 TYR A 82 -11.839 4.992 8.491 1.00 0.00 C ATOM 1545 CZ TYR A 82 -11.650 3.859 9.314 1.00 0.00 C ATOM 1546 OH TYR A 82 -12.719 3.160 9.786 1.00 0.00 O ATOM 0 H TYR A 82 -6.037 4.365 7.483 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.439 5.086 5.957 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.458 6.104 8.604 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -8.504 7.066 7.580 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.233 3.853 9.433 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.868 6.575 7.382 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.193 2.590 10.288 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.838 5.309 8.229 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.547 3.570 9.460 1.00 0.00 H new ATOM 1556 N CYS A 83 -6.628 5.864 4.401 1.00 0.00 N ATOM 1557 CA CYS A 83 -5.809 6.501 3.364 1.00 0.00 C ATOM 1558 C CYS A 83 -6.358 7.810 2.746 1.00 0.00 C ATOM 1559 O CYS A 83 -5.678 8.427 1.923 1.00 0.00 O ATOM 1560 CB CYS A 83 -5.474 5.435 2.305 1.00 0.00 C ATOM 1561 SG CYS A 83 -6.939 4.493 1.767 1.00 0.00 S ATOM 0 H CYS A 83 -7.029 4.980 4.088 1.00 0.00 H new ATOM 0 HA CYS A 83 -4.908 6.865 3.857 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -5.020 5.918 1.440 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.733 4.746 2.711 1.00 0.00 H new ATOM 0 HG CYS A 83 -7.678 5.240 1.001 1.00 0.00 H new ATOM 1567 N SER A 84 -7.564 8.242 3.132 1.00 0.00 N ATOM 1568 CA SER A 84 -8.280 9.416 2.605 1.00 0.00 C ATOM 1569 C SER A 84 -7.454 10.717 2.569 1.00 0.00 C ATOM 1570 O SER A 84 -6.654 10.992 3.468 1.00 0.00 O ATOM 1571 CB SER A 84 -9.535 9.661 3.452 1.00 0.00 C ATOM 1572 OG SER A 84 -10.368 10.625 2.833 1.00 0.00 O ATOM 0 H SER A 84 -8.096 7.760 3.857 1.00 0.00 H new ATOM 0 HA SER A 84 -8.518 9.175 1.569 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.082 8.727 3.581 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.249 10.003 4.447 1.00 0.00 H new ATOM 0 HG SER A 84 -11.166 10.770 3.384 1.00 0.00 H new ATOM 1578 N ASN A 85 -7.705 11.545 1.545 1.00 0.00 N ATOM 1579 CA ASN A 85 -7.140 12.890 1.348 1.00 0.00 C ATOM 1580 C ASN A 85 -5.593 12.960 1.305 1.00 0.00 C ATOM 1581 O ASN A 85 -4.997 13.985 1.649 1.00 0.00 O ATOM 1582 CB ASN A 85 -7.797 13.887 2.331 1.00 0.00 C ATOM 1583 CG ASN A 85 -9.299 14.035 2.144 1.00 0.00 C ATOM 1584 OD1 ASN A 85 -9.831 13.998 1.041 1.00 0.00 O ATOM 1585 ND2 ASN A 85 -10.032 14.277 3.209 1.00 0.00 N ATOM 0 H ASN A 85 -8.341 11.282 0.792 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.400 13.196 0.335 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -7.598 13.561 3.352 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -7.328 14.863 2.211 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -11.036 14.432 3.113 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.597 14.309 4.131 1.00 0.00 H new ATOM 1592 N ASP A 86 -4.932 11.879 0.882 1.00 0.00 N ATOM 1593 CA ASP A 86 -3.468 11.783 0.768 1.00 0.00 C ATOM 1594 C ASP A 86 -3.124 10.894 -0.453 1.00 0.00 C ATOM 1595 O ASP A 86 -4.003 10.308 -1.095 1.00 0.00 O ATOM 1596 CB ASP A 86 -2.934 11.183 2.086 1.00 0.00 C ATOM 1597 CG ASP A 86 -1.478 11.565 2.399 1.00 0.00 C ATOM 1598 OD1 ASP A 86 -0.735 12.031 1.503 1.00 0.00 O ATOM 1599 OD2 ASP A 86 -1.062 11.410 3.569 1.00 0.00 O ATOM 0 H ASP A 86 -5.409 11.022 0.601 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.005 12.757 0.613 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.570 11.512 2.908 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.012 10.097 2.037 1.00 0.00 H new ATOM 1604 N LEU A 87 -1.830 10.782 -0.773 1.00 0.00 N ATOM 1605 CA LEU A 87 -1.292 10.069 -1.942 1.00 0.00 C ATOM 1606 C LEU A 87 -1.791 8.616 -2.046 1.00 0.00 C ATOM 1607 O LEU A 87 -2.118 8.147 -3.138 1.00 0.00 O ATOM 1608 CB LEU A 87 0.246 10.154 -1.875 1.00 0.00 C ATOM 1609 CG LEU A 87 1.012 9.349 -2.943 1.00 0.00 C ATOM 1610 CD1 LEU A 87 0.650 9.762 -4.367 1.00 0.00 C ATOM 1611 CD2 LEU A 87 2.513 9.577 -2.773 1.00 0.00 C ATOM 0 H LEU A 87 -1.097 11.202 -0.202 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.656 10.546 -2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.537 11.201 -1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.567 9.812 -0.891 1.00 0.00 H new ATOM 0 HG LEU A 87 0.737 8.304 -2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.220 9.162 -5.076 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.416 9.604 -4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.887 10.816 -4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.055 9.008 -3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.735 10.638 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.821 9.248 -1.780 1.00 0.00 H new ATOM 1623 N LEU A 88 -1.900 7.906 -0.919 1.00 0.00 N ATOM 1624 CA LEU A 88 -2.393 6.528 -0.909 1.00 0.00 C ATOM 1625 C LEU A 88 -3.900 6.409 -1.202 1.00 0.00 C ATOM 1626 O LEU A 88 -4.321 5.481 -1.889 1.00 0.00 O ATOM 1627 CB LEU A 88 -1.997 5.868 0.416 1.00 0.00 C ATOM 1628 CG LEU A 88 -2.391 4.384 0.487 1.00 0.00 C ATOM 1629 CD1 LEU A 88 -1.761 3.579 -0.651 1.00 0.00 C ATOM 1630 CD2 LEU A 88 -1.940 3.816 1.826 1.00 0.00 C ATOM 0 H LEU A 88 -1.652 8.267 0.002 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.920 5.993 -1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.920 5.960 0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.470 6.404 1.239 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.474 4.310 0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.062 2.535 -0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.096 3.978 -1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.675 3.650 -0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.215 2.763 1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.858 3.914 1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.423 4.364 2.635 1.00 0.00 H new ATOM 1642 N GLY A 89 -4.711 7.359 -0.737 1.00 0.00 N ATOM 1643 CA GLY A 89 -6.129 7.460 -1.106 1.00 0.00 C ATOM 1644 C GLY A 89 -6.319 7.755 -2.598 1.00 0.00 C ATOM 1645 O GLY A 89 -7.191 7.168 -3.239 1.00 0.00 O ATOM 0 H GLY A 89 -4.404 8.086 -0.090 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.636 6.528 -0.854 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.600 8.248 -0.519 1.00 0.00 H new ATOM 1649 N ASP A 90 -5.450 8.589 -3.177 1.00 0.00 N ATOM 1650 CA ASP A 90 -5.378 8.815 -4.627 1.00 0.00 C ATOM 1651 C ASP A 90 -4.952 7.594 -5.462 1.00 0.00 C ATOM 1652 O ASP A 90 -5.433 7.404 -6.582 1.00 0.00 O ATOM 1653 CB ASP A 90 -4.527 10.058 -4.951 1.00 0.00 C ATOM 1654 CG ASP A 90 -5.201 11.412 -4.653 1.00 0.00 C ATOM 1655 OD1 ASP A 90 -6.426 11.476 -4.386 1.00 0.00 O ATOM 1656 OD2 ASP A 90 -4.495 12.447 -4.731 1.00 0.00 O ATOM 0 H ASP A 90 -4.769 9.133 -2.648 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.407 9.000 -4.936 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.598 10.000 -4.384 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.258 10.029 -6.007 1.00 0.00 H new ATOM 1661 N LEU A 91 -4.091 6.738 -4.900 1.00 0.00 N ATOM 1662 CA LEU A 91 -3.698 5.447 -5.473 1.00 0.00 C ATOM 1663 C LEU A 91 -4.829 4.403 -5.394 1.00 0.00 C ATOM 1664 O LEU A 91 -5.222 3.854 -6.425 1.00 0.00 O ATOM 1665 CB LEU A 91 -2.442 4.932 -4.744 1.00 0.00 C ATOM 1666 CG LEU A 91 -1.109 5.504 -5.244 1.00 0.00 C ATOM 1667 CD1 LEU A 91 -0.015 5.134 -4.260 1.00 0.00 C ATOM 1668 CD2 LEU A 91 -0.746 4.958 -6.626 1.00 0.00 C ATOM 0 H LEU A 91 -3.636 6.931 -4.008 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.482 5.598 -6.531 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.540 5.159 -3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.409 3.846 -4.836 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.209 6.587 -5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.937 5.536 -4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.250 5.551 -3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.055 4.049 -4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.204 5.385 -6.948 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.658 3.873 -6.577 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.525 5.227 -7.339 1.00 0.00 H new ATOM 1680 N PHE A 92 -5.352 4.114 -4.195 1.00 0.00 N ATOM 1681 CA PHE A 92 -6.432 3.138 -3.988 1.00 0.00 C ATOM 1682 C PHE A 92 -7.828 3.492 -4.528 1.00 0.00 C ATOM 1683 O PHE A 92 -8.617 2.598 -4.843 1.00 0.00 O ATOM 1684 CB PHE A 92 -6.493 2.635 -2.532 1.00 0.00 C ATOM 1685 CG PHE A 92 -5.509 1.549 -2.129 1.00 0.00 C ATOM 1686 CD1 PHE A 92 -5.495 0.317 -2.810 1.00 0.00 C ATOM 1687 CD2 PHE A 92 -4.683 1.718 -1.002 1.00 0.00 C ATOM 1688 CE1 PHE A 92 -4.644 -0.724 -2.396 1.00 0.00 C ATOM 1689 CE2 PHE A 92 -3.838 0.674 -0.580 1.00 0.00 C ATOM 1690 CZ PHE A 92 -3.808 -0.541 -1.282 1.00 0.00 C ATOM 0 H PHE A 92 -5.034 4.555 -3.332 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.126 2.320 -4.640 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.341 3.490 -1.873 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.501 2.264 -2.345 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.145 0.169 -3.660 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.697 2.652 -0.459 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.633 -1.661 -2.933 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.210 0.809 0.288 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.144 -1.333 -0.967 1.00 0.00 H new ATOM 1700 N GLY A 93 -8.146 4.786 -4.629 1.00 0.00 N ATOM 1701 CA GLY A 93 -9.463 5.280 -5.056 1.00 0.00 C ATOM 1702 C GLY A 93 -10.568 5.161 -3.992 1.00 0.00 C ATOM 1703 O GLY A 93 -11.750 5.251 -4.333 1.00 0.00 O ATOM 0 H GLY A 93 -7.486 5.534 -4.413 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.367 6.326 -5.346 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.772 4.730 -5.945 1.00 0.00 H new ATOM 1707 N VAL A 94 -10.205 4.957 -2.719 1.00 0.00 N ATOM 1708 CA VAL A 94 -11.126 4.817 -1.570 1.00 0.00 C ATOM 1709 C VAL A 94 -10.551 5.556 -0.349 1.00 0.00 C ATOM 1710 O VAL A 94 -9.329 5.688 -0.224 1.00 0.00 O ATOM 1711 CB VAL A 94 -11.365 3.336 -1.186 1.00 0.00 C ATOM 1712 CG1 VAL A 94 -12.341 2.666 -2.155 1.00 0.00 C ATOM 1713 CG2 VAL A 94 -10.094 2.483 -1.106 1.00 0.00 C ATOM 0 H VAL A 94 -9.226 4.881 -2.445 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.080 5.249 -1.870 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.784 3.382 -0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.490 1.627 -1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.296 3.191 -2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.933 2.702 -3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.358 1.462 -0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.596 2.481 -2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.423 2.899 -0.354 1.00 0.00 H new ATOM 1723 N PRO A 95 -11.410 6.029 0.579 1.00 0.00 N ATOM 1724 CA PRO A 95 -10.980 6.705 1.806 1.00 0.00 C ATOM 1725 C PRO A 95 -10.384 5.753 2.860 1.00 0.00 C ATOM 1726 O PRO A 95 -9.599 6.192 3.704 1.00 0.00 O ATOM 1727 CB PRO A 95 -12.248 7.383 2.339 1.00 0.00 C ATOM 1728 CG PRO A 95 -13.373 6.468 1.857 1.00 0.00 C ATOM 1729 CD PRO A 95 -12.866 6.018 0.491 1.00 0.00 C ATOM 0 HA PRO A 95 -10.173 7.406 1.592 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.234 7.463 3.426 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.357 8.394 1.947 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.528 5.625 2.531 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.323 6.997 1.784 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.235 5.022 0.247 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.214 6.688 -0.295 1.00 0.00 H new ATOM 1737 N SER A 96 -10.757 4.470 2.839 1.00 0.00 N ATOM 1738 CA SER A 96 -10.339 3.466 3.826 1.00 0.00 C ATOM 1739 C SER A 96 -10.570 2.023 3.354 1.00 0.00 C ATOM 1740 O SER A 96 -11.361 1.778 2.436 1.00 0.00 O ATOM 1741 CB SER A 96 -11.078 3.694 5.154 1.00 0.00 C ATOM 1742 OG SER A 96 -12.486 3.575 4.995 1.00 0.00 O ATOM 0 H SER A 96 -11.372 4.090 2.119 1.00 0.00 H new ATOM 0 HA SER A 96 -9.265 3.592 3.961 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.732 2.971 5.893 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.837 4.684 5.540 1.00 0.00 H new ATOM 0 HG SER A 96 -12.926 3.724 5.858 1.00 0.00 H new ATOM 1748 N PHE A 97 -9.890 1.062 3.991 1.00 0.00 N ATOM 1749 CA PHE A 97 -10.086 -0.382 3.789 1.00 0.00 C ATOM 1750 C PHE A 97 -9.529 -1.166 4.998 1.00 0.00 C ATOM 1751 O PHE A 97 -8.601 -0.715 5.676 1.00 0.00 O ATOM 1752 CB PHE A 97 -9.372 -0.828 2.497 1.00 0.00 C ATOM 1753 CG PHE A 97 -7.856 -0.753 2.539 1.00 0.00 C ATOM 1754 CD1 PHE A 97 -7.127 -1.861 3.004 1.00 0.00 C ATOM 1755 CD2 PHE A 97 -7.172 0.411 2.135 1.00 0.00 C ATOM 1756 CE1 PHE A 97 -5.726 -1.816 3.070 1.00 0.00 C ATOM 1757 CE2 PHE A 97 -5.766 0.453 2.191 1.00 0.00 C ATOM 1758 CZ PHE A 97 -5.045 -0.666 2.648 1.00 0.00 C ATOM 0 H PHE A 97 -9.168 1.271 4.680 1.00 0.00 H new ATOM 0 HA PHE A 97 -11.152 -0.588 3.698 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -9.663 -1.855 2.275 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.728 -0.211 1.672 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.649 -2.754 3.313 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -7.725 1.269 1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.174 -2.665 3.445 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.240 1.345 1.883 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.966 -0.638 2.674 1.00 0.00 H new ATOM 1768 N SER A 98 -10.062 -2.364 5.262 1.00 0.00 N ATOM 1769 CA SER A 98 -9.497 -3.305 6.247 1.00 0.00 C ATOM 1770 C SER A 98 -8.413 -4.184 5.618 1.00 0.00 C ATOM 1771 O SER A 98 -8.651 -4.797 4.578 1.00 0.00 O ATOM 1772 CB SER A 98 -10.600 -4.166 6.862 1.00 0.00 C ATOM 1773 OG SER A 98 -10.038 -5.138 7.727 1.00 0.00 O ATOM 0 H SER A 98 -10.901 -2.714 4.799 1.00 0.00 H new ATOM 0 HA SER A 98 -9.032 -2.719 7.040 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.297 -3.536 7.415 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.170 -4.657 6.073 1.00 0.00 H new ATOM 0 HG SER A 98 -10.754 -5.682 8.116 1.00 0.00 H new ATOM 1779 N VAL A 99 -7.235 -4.297 6.246 1.00 0.00 N ATOM 1780 CA VAL A 99 -6.098 -5.097 5.733 1.00 0.00 C ATOM 1781 C VAL A 99 -6.449 -6.588 5.581 1.00 0.00 C ATOM 1782 O VAL A 99 -5.872 -7.278 4.742 1.00 0.00 O ATOM 1783 CB VAL A 99 -4.851 -4.911 6.616 1.00 0.00 C ATOM 1784 CG1 VAL A 99 -3.617 -5.663 6.103 1.00 0.00 C ATOM 1785 CG2 VAL A 99 -4.444 -3.438 6.749 1.00 0.00 C ATOM 0 H VAL A 99 -7.036 -3.834 7.133 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.873 -4.723 4.734 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.156 -5.320 7.579 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.777 -5.485 6.775 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.832 -6.731 6.065 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.364 -5.308 5.104 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.560 -3.361 7.381 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.221 -3.032 5.762 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.261 -2.874 7.198 1.00 0.00 H new ATOM 1795 N LYS A 100 -7.442 -7.074 6.340 1.00 0.00 N ATOM 1796 CA LYS A 100 -7.998 -8.438 6.253 1.00 0.00 C ATOM 1797 C LYS A 100 -8.664 -8.757 4.907 1.00 0.00 C ATOM 1798 O LYS A 100 -8.793 -9.925 4.543 1.00 0.00 O ATOM 1799 CB LYS A 100 -9.021 -8.631 7.387 1.00 0.00 C ATOM 1800 CG LYS A 100 -8.395 -8.573 8.789 1.00 0.00 C ATOM 1801 CD LYS A 100 -9.485 -8.534 9.868 1.00 0.00 C ATOM 1802 CE LYS A 100 -8.856 -8.542 11.265 1.00 0.00 C ATOM 1803 NZ LYS A 100 -9.860 -8.223 12.312 1.00 0.00 N ATOM 0 H LYS A 100 -7.898 -6.511 7.058 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.158 -9.126 6.347 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.789 -7.862 7.308 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.518 -9.593 7.258 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.755 -9.442 8.943 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.761 -7.690 8.873 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.097 -7.641 9.743 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.147 -9.392 9.756 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.419 -9.521 11.464 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.044 -7.816 11.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.439 -8.368 13.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.159 -7.232 12.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.686 -8.846 12.202 1.00 0.00 H new ATOM 1817 N GLU A 101 -9.087 -7.739 4.155 1.00 0.00 N ATOM 1818 CA GLU A 101 -9.776 -7.850 2.859 1.00 0.00 C ATOM 1819 C GLU A 101 -8.793 -8.136 1.703 1.00 0.00 C ATOM 1820 O GLU A 101 -8.815 -7.461 0.671 1.00 0.00 O ATOM 1821 CB GLU A 101 -10.635 -6.591 2.608 1.00 0.00 C ATOM 1822 CG GLU A 101 -11.725 -6.390 3.677 1.00 0.00 C ATOM 1823 CD GLU A 101 -12.474 -5.043 3.575 1.00 0.00 C ATOM 1824 OE1 GLU A 101 -12.022 -4.102 2.879 1.00 0.00 O ATOM 1825 OE2 GLU A 101 -13.535 -4.912 4.233 1.00 0.00 O ATOM 0 H GLU A 101 -8.955 -6.769 4.442 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.445 -8.710 2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.988 -5.714 2.586 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.104 -6.666 1.627 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.448 -7.202 3.599 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.268 -6.465 4.664 1.00 0.00 H new ATOM 1832 N HIS A 102 -7.907 -9.126 1.867 1.00 0.00 N ATOM 1833 CA HIS A 102 -6.768 -9.386 0.974 1.00 0.00 C ATOM 1834 C HIS A 102 -7.158 -9.457 -0.510 1.00 0.00 C ATOM 1835 O HIS A 102 -6.558 -8.775 -1.339 1.00 0.00 O ATOM 1836 CB HIS A 102 -6.052 -10.682 1.394 1.00 0.00 C ATOM 1837 CG HIS A 102 -5.635 -10.757 2.843 1.00 0.00 C ATOM 1838 ND1 HIS A 102 -4.895 -9.823 3.532 1.00 0.00 N ATOM 1839 CD2 HIS A 102 -5.741 -11.854 3.657 1.00 0.00 C ATOM 1840 CE1 HIS A 102 -4.586 -10.329 4.734 1.00 0.00 C ATOM 1841 NE2 HIS A 102 -5.080 -11.573 4.861 1.00 0.00 N ATOM 0 H HIS A 102 -7.963 -9.785 2.643 1.00 0.00 H new ATOM 0 HA HIS A 102 -6.094 -8.535 1.077 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -6.709 -11.525 1.180 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -5.165 -10.803 0.772 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -6.247 -12.777 3.413 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -4.020 -9.810 5.494 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -4.992 -12.188 5.670 1.00 0.00 H new ATOM 1849 N ARG A 103 -8.216 -10.213 -0.837 1.00 0.00 N ATOM 1850 CA ARG A 103 -8.726 -10.403 -2.209 1.00 0.00 C ATOM 1851 C ARG A 103 -9.113 -9.077 -2.880 1.00 0.00 C ATOM 1852 O ARG A 103 -8.793 -8.855 -4.050 1.00 0.00 O ATOM 1853 CB ARG A 103 -9.909 -11.384 -2.140 1.00 0.00 C ATOM 1854 CG ARG A 103 -10.309 -11.951 -3.512 1.00 0.00 C ATOM 1855 CD ARG A 103 -11.542 -12.864 -3.426 1.00 0.00 C ATOM 1856 NE ARG A 103 -11.337 -14.004 -2.508 1.00 0.00 N ATOM 1857 CZ ARG A 103 -12.089 -15.080 -2.382 1.00 0.00 C ATOM 1858 NH1 ARG A 103 -13.148 -15.292 -3.112 1.00 0.00 N ATOM 1859 NH2 ARG A 103 -11.771 -15.969 -1.488 1.00 0.00 N ATOM 0 H ARG A 103 -8.757 -10.724 -0.139 1.00 0.00 H new ATOM 0 HA ARG A 103 -7.937 -10.817 -2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -9.650 -12.208 -1.475 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -10.768 -10.877 -1.700 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.515 -11.129 -4.197 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.473 -12.511 -3.929 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -12.400 -12.281 -3.091 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -11.782 -13.241 -4.420 1.00 0.00 H new ATOM 0 HE ARG A 103 -10.519 -13.953 -1.901 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -13.426 -14.610 -3.817 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -13.699 -16.140 -2.978 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -10.951 -15.828 -0.898 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -12.341 -16.807 -1.377 1.00 0.00 H new ATOM 1873 N LYS A 104 -9.744 -8.171 -2.122 1.00 0.00 N ATOM 1874 CA LYS A 104 -10.098 -6.811 -2.558 1.00 0.00 C ATOM 1875 C LYS A 104 -8.861 -5.917 -2.669 1.00 0.00 C ATOM 1876 O LYS A 104 -8.708 -5.216 -3.666 1.00 0.00 O ATOM 1877 CB LYS A 104 -11.155 -6.234 -1.601 1.00 0.00 C ATOM 1878 CG LYS A 104 -11.735 -4.895 -2.085 1.00 0.00 C ATOM 1879 CD LYS A 104 -12.879 -4.443 -1.163 1.00 0.00 C ATOM 1880 CE LYS A 104 -13.617 -3.199 -1.679 1.00 0.00 C ATOM 1881 NZ LYS A 104 -12.783 -1.969 -1.623 1.00 0.00 N ATOM 0 H LYS A 104 -10.031 -8.367 -1.163 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.526 -6.852 -3.559 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.965 -6.954 -1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.709 -6.096 -0.616 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.952 -4.137 -2.102 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.101 -4.998 -3.106 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -13.592 -5.260 -1.052 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -12.477 -4.234 -0.172 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -13.934 -3.371 -2.708 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -14.520 -3.047 -1.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -13.342 -1.155 -1.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -12.473 -1.804 -0.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -11.950 -2.086 -2.235 1.00 0.00 H new ATOM 1895 N ILE A 105 -7.941 -5.981 -1.703 1.00 0.00 N ATOM 1896 CA ILE A 105 -6.683 -5.217 -1.745 1.00 0.00 C ATOM 1897 C ILE A 105 -5.863 -5.570 -2.993 1.00 0.00 C ATOM 1898 O ILE A 105 -5.411 -4.658 -3.681 1.00 0.00 O ATOM 1899 CB ILE A 105 -5.867 -5.371 -0.440 1.00 0.00 C ATOM 1900 CG1 ILE A 105 -6.631 -4.737 0.745 1.00 0.00 C ATOM 1901 CG2 ILE A 105 -4.489 -4.696 -0.581 1.00 0.00 C ATOM 1902 CD1 ILE A 105 -6.074 -5.124 2.119 1.00 0.00 C ATOM 0 H ILE A 105 -8.043 -6.561 -0.870 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.941 -4.161 -1.818 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.724 -6.435 -0.251 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.603 -3.652 0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.678 -5.035 0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.929 -4.815 0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.938 -5.160 -1.399 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.623 -3.635 -0.791 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.662 -4.641 2.899 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.128 -6.206 2.242 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.036 -4.801 2.195 1.00 0.00 H new ATOM 1914 N TYR A 106 -5.727 -6.852 -3.352 1.00 0.00 N ATOM 1915 CA TYR A 106 -5.001 -7.251 -4.564 1.00 0.00 C ATOM 1916 C TYR A 106 -5.652 -6.701 -5.840 1.00 0.00 C ATOM 1917 O TYR A 106 -4.958 -6.133 -6.682 1.00 0.00 O ATOM 1918 CB TYR A 106 -4.910 -8.780 -4.687 1.00 0.00 C ATOM 1919 CG TYR A 106 -4.257 -9.521 -3.537 1.00 0.00 C ATOM 1920 CD1 TYR A 106 -3.015 -9.103 -3.016 1.00 0.00 C ATOM 1921 CD2 TYR A 106 -4.889 -10.667 -3.014 1.00 0.00 C ATOM 1922 CE1 TYR A 106 -2.421 -9.815 -1.958 1.00 0.00 C ATOM 1923 CE2 TYR A 106 -4.307 -11.374 -1.950 1.00 0.00 C ATOM 1924 CZ TYR A 106 -3.070 -10.952 -1.428 1.00 0.00 C ATOM 1925 OH TYR A 106 -2.498 -11.671 -0.434 1.00 0.00 O ATOM 0 H TYR A 106 -6.111 -7.632 -2.819 1.00 0.00 H new ATOM 0 HA TYR A 106 -4.002 -6.827 -4.464 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -5.919 -9.171 -4.814 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.360 -9.015 -5.598 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -2.520 -8.237 -3.429 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -5.826 -11.003 -3.434 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.473 -9.494 -1.553 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -4.806 -12.237 -1.534 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.535 -11.488 -0.410 1.00 0.00 H new ATOM 1935 N THR A 107 -6.979 -6.819 -5.987 1.00 0.00 N ATOM 1936 CA THR A 107 -7.678 -6.282 -7.168 1.00 0.00 C ATOM 1937 C THR A 107 -7.639 -4.756 -7.314 1.00 0.00 C ATOM 1938 O THR A 107 -7.492 -4.237 -8.423 1.00 0.00 O ATOM 1939 CB THR A 107 -9.067 -6.912 -7.378 1.00 0.00 C ATOM 1940 OG1 THR A 107 -9.358 -6.969 -8.759 1.00 0.00 O ATOM 1941 CG2 THR A 107 -10.202 -6.136 -6.715 1.00 0.00 C ATOM 0 H THR A 107 -7.588 -7.278 -5.310 1.00 0.00 H new ATOM 0 HA THR A 107 -7.079 -6.612 -8.017 1.00 0.00 H new ATOM 0 HB THR A 107 -9.014 -7.900 -6.920 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.242 -7.372 -8.891 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.149 -6.641 -6.907 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.029 -6.086 -5.640 1.00 0.00 H new ATOM 0 HG23 THR A 107 -10.240 -5.126 -7.124 1.00 0.00 H new ATOM 1949 N MET A 108 -7.659 -4.026 -6.190 1.00 0.00 N ATOM 1950 CA MET A 108 -7.409 -2.579 -6.178 1.00 0.00 C ATOM 1951 C MET A 108 -5.945 -2.246 -6.504 1.00 0.00 C ATOM 1952 O MET A 108 -5.685 -1.388 -7.347 1.00 0.00 O ATOM 1953 CB MET A 108 -7.800 -1.960 -4.826 1.00 0.00 C ATOM 1954 CG MET A 108 -9.299 -2.044 -4.512 1.00 0.00 C ATOM 1955 SD MET A 108 -9.833 -1.096 -3.053 1.00 0.00 S ATOM 1956 CE MET A 108 -8.802 -1.810 -1.738 1.00 0.00 C ATOM 0 H MET A 108 -7.848 -4.420 -5.268 1.00 0.00 H new ATOM 0 HA MET A 108 -8.035 -2.146 -6.958 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.245 -2.462 -4.034 1.00 0.00 H new ATOM 0 HB3 MET A 108 -7.495 -0.914 -4.815 1.00 0.00 H new ATOM 0 HG2 MET A 108 -9.857 -1.692 -5.380 1.00 0.00 H new ATOM 0 HG3 MET A 108 -9.566 -3.090 -4.364 1.00 0.00 H new ATOM 0 HE1 MET A 108 -9.102 -1.396 -0.775 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.929 -2.892 -1.723 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.755 -1.570 -1.926 1.00 0.00 H new ATOM 1966 N MET A 109 -4.975 -2.932 -5.887 1.00 0.00 N ATOM 1967 CA MET A 109 -3.543 -2.636 -6.049 1.00 0.00 C ATOM 1968 C MET A 109 -3.008 -3.054 -7.428 1.00 0.00 C ATOM 1969 O MET A 109 -2.057 -2.454 -7.926 1.00 0.00 O ATOM 1970 CB MET A 109 -2.743 -3.202 -4.859 1.00 0.00 C ATOM 1971 CG MET A 109 -2.221 -4.640 -4.954 1.00 0.00 C ATOM 1972 SD MET A 109 -0.528 -4.826 -5.587 1.00 0.00 S ATOM 1973 CE MET A 109 0.399 -3.957 -4.286 1.00 0.00 C ATOM 0 H MET A 109 -5.161 -3.713 -5.257 1.00 0.00 H new ATOM 0 HA MET A 109 -3.406 -1.555 -6.030 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.887 -2.548 -4.692 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.373 -3.135 -3.972 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.270 -5.090 -3.963 1.00 0.00 H new ATOM 0 HG3 MET A 109 -2.893 -5.209 -5.596 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.417 -4.345 -4.244 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.426 -2.890 -4.509 1.00 0.00 H new ATOM 0 HE3 MET A 109 -0.089 -4.114 -3.324 1.00 0.00 H new ATOM 1983 N ALA A 110 -3.684 -3.980 -8.118 1.00 0.00 N ATOM 1984 CA ALA A 110 -3.413 -4.304 -9.519 1.00 0.00 C ATOM 1985 C ALA A 110 -3.629 -3.098 -10.463 1.00 0.00 C ATOM 1986 O ALA A 110 -2.958 -2.998 -11.491 1.00 0.00 O ATOM 1987 CB ALA A 110 -4.303 -5.487 -9.913 1.00 0.00 C ATOM 0 H ALA A 110 -4.442 -4.530 -7.713 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.361 -4.570 -9.623 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.120 -5.749 -10.955 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.073 -6.343 -9.278 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.350 -5.212 -9.787 1.00 0.00 H new ATOM 1993 N SER A 111 -4.490 -2.132 -10.104 1.00 0.00 N ATOM 1994 CA SER A 111 -4.660 -0.879 -10.867 1.00 0.00 C ATOM 1995 C SER A 111 -3.487 0.105 -10.706 1.00 0.00 C ATOM 1996 O SER A 111 -3.440 1.138 -11.378 1.00 0.00 O ATOM 1997 CB SER A 111 -5.996 -0.204 -10.531 1.00 0.00 C ATOM 1998 OG SER A 111 -5.967 0.470 -9.286 1.00 0.00 O ATOM 0 H SER A 111 -5.087 -2.195 -9.280 1.00 0.00 H new ATOM 0 HA SER A 111 -4.668 -1.168 -11.918 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.248 0.506 -11.319 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.785 -0.956 -10.515 1.00 0.00 H new ATOM 0 HG SER A 111 -5.947 -0.187 -8.559 1.00 0.00 H new ATOM 2004 N MET A 112 -2.513 -0.209 -9.841 1.00 0.00 N ATOM 2005 CA MET A 112 -1.229 0.496 -9.715 1.00 0.00 C ATOM 2006 C MET A 112 -0.121 -0.133 -10.583 1.00 0.00 C ATOM 2007 O MET A 112 0.983 0.408 -10.665 1.00 0.00 O ATOM 2008 CB MET A 112 -0.790 0.556 -8.245 1.00 0.00 C ATOM 2009 CG MET A 112 -1.906 0.969 -7.279 1.00 0.00 C ATOM 2010 SD MET A 112 -1.391 1.016 -5.546 1.00 0.00 S ATOM 2011 CE MET A 112 -3.027 1.209 -4.802 1.00 0.00 C ATOM 0 H MET A 112 -2.600 -0.987 -9.187 1.00 0.00 H new ATOM 0 HA MET A 112 -1.386 1.510 -10.084 1.00 0.00 H new ATOM 0 HB2 MET A 112 -0.411 -0.422 -7.949 1.00 0.00 H new ATOM 0 HB3 MET A 112 0.037 1.260 -8.152 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.276 1.954 -7.565 1.00 0.00 H new ATOM 0 HG3 MET A 112 -2.739 0.273 -7.382 1.00 0.00 H new ATOM 0 HE1 MET A 112 -2.921 1.575 -3.781 1.00 0.00 H new ATOM 0 HE2 MET A 112 -3.610 1.923 -5.384 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.538 0.246 -4.792 1.00 0.00 H new ATOM 2021 N THR A 113 -0.420 -1.261 -11.233 1.00 0.00 N ATOM 2022 CA THR A 113 0.471 -2.068 -12.088 1.00 0.00 C ATOM 2023 C THR A 113 -0.138 -2.494 -13.437 1.00 0.00 C ATOM 2024 O THR A 113 0.372 -3.392 -14.113 1.00 0.00 O ATOM 2025 CB THR A 113 1.152 -3.224 -11.317 1.00 0.00 C ATOM 2026 OG1 THR A 113 0.342 -4.382 -11.305 1.00 0.00 O ATOM 2027 CG2 THR A 113 1.488 -2.929 -9.849 1.00 0.00 C ATOM 0 H THR A 113 -1.354 -1.667 -11.175 1.00 0.00 H new ATOM 0 HA THR A 113 1.271 -1.386 -12.377 1.00 0.00 H new ATOM 0 HB THR A 113 2.084 -3.365 -11.865 1.00 0.00 H new ATOM 0 HG1 THR A 113 0.799 -5.096 -10.813 1.00 0.00 H new ATOM 0 HG21 THR A 113 1.961 -3.803 -9.401 1.00 0.00 H new ATOM 0 HG22 THR A 113 2.169 -2.080 -9.795 1.00 0.00 H new ATOM 0 HG23 THR A 113 0.572 -2.694 -9.306 1.00 0.00 H new