USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 918 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 84 HIS : no HD1:sc= -1.67 K(o=-1.2,f=-2.1) USER MOD Set 1.2: A 85 SER OG : rot -143:sc= 0.451 USER MOD Set 2.1: A 68 GLN : amide:sc= -1.29 K(o=-0.3,f=-3.5!) USER MOD Set 2.2: A 71 GLN : amide:sc= 0.985 K(o=-0.3,f=-1.5) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 116:sc= -4.31! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 120:sc= -2.05! USER MOD Single : A 35 ASN : amide:sc= -3.8 X(o=-3.8,f=-4!) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.159 F(o=-1.8,f=-0.16) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -162:sc= -0.0134 (180deg=-0.299) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 170:sc= -1.32 USER MOD Single : A 57 MET CE :methyl -128:sc= -1.4 (180deg=-2.5!) USER MOD Single : A 60 MET CE :methyl 173:sc= -0.536 (180deg=-0.676) USER MOD Single : A 67 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.199) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -12.4! C(o=-12!,f=-18!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -118:sc= -6.36! (180deg=-10!) USER MOD Single : A 82 THR OG1 : rot 81:sc= 1.18 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 49:sc= 0.348 USER MOD Single : A 95 GLN :FLIP amide:sc= -2.08 F(o=-3.7!,f=-2.1) USER MOD Single : A 96 GLN : amide:sc= -7.84! C(o=-7.8!,f=-16!) USER MOD Single : A 101 TYR OH : rot -124:sc= -2.58 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 3 11.722 -13.014 -0.614 1.00 0.00 N ATOM 38 CA ARG A 3 12.836 -12.083 -0.472 1.00 0.00 C ATOM 39 C ARG A 3 12.366 -10.722 0.043 1.00 0.00 C ATOM 40 O ARG A 3 13.180 -9.836 0.305 1.00 0.00 O ATOM 41 CB ARG A 3 13.550 -11.906 -1.812 1.00 0.00 C ATOM 42 CG ARG A 3 12.641 -11.394 -2.919 1.00 0.00 C ATOM 43 CD ARG A 3 12.700 -12.287 -4.149 1.00 0.00 C ATOM 44 NE ARG A 3 12.520 -11.530 -5.385 1.00 0.00 N ATOM 45 CZ ARG A 3 13.068 -11.866 -6.552 1.00 0.00 C ATOM 46 NH1 ARG A 3 13.828 -12.951 -6.653 1.00 0.00 N ATOM 47 NH2 ARG A 3 12.858 -11.114 -7.624 1.00 0.00 N ATOM 0 HA ARG A 3 13.528 -12.504 0.258 1.00 0.00 H new ATOM 0 HB2 ARG A 3 14.380 -11.211 -1.684 1.00 0.00 H new ATOM 0 HB3 ARG A 3 13.978 -12.861 -2.116 1.00 0.00 H new ATOM 0 HG2 ARG A 3 11.615 -11.343 -2.554 1.00 0.00 H new ATOM 0 HG3 ARG A 3 12.933 -10.380 -3.191 1.00 0.00 H new ATOM 0 HD2 ARG A 3 13.660 -12.803 -4.177 1.00 0.00 H new ATOM 0 HD3 ARG A 3 11.928 -13.053 -4.078 1.00 0.00 H new ATOM 0 HE ARG A 3 11.939 -10.692 -5.353 1.00 0.00 H new ATOM 0 HH11 ARG A 3 13.996 -13.534 -5.833 1.00 0.00 H new ATOM 0 HH12 ARG A 3 14.244 -13.201 -7.550 1.00 0.00 H new ATOM 0 HH21 ARG A 3 12.277 -10.278 -7.555 1.00 0.00 H new ATOM 0 HH22 ARG A 3 13.278 -11.371 -8.517 1.00 0.00 H new ATOM 61 N GLY A 4 11.053 -10.557 0.180 1.00 0.00 N ATOM 62 CA GLY A 4 10.512 -9.301 0.655 1.00 0.00 C ATOM 63 C GLY A 4 10.215 -8.347 -0.482 1.00 0.00 C ATOM 64 O GLY A 4 11.015 -7.460 -0.780 1.00 0.00 O ATOM 0 H GLY A 4 10.357 -11.272 -0.030 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.598 -9.490 1.218 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.220 -8.838 1.342 1.00 0.00 H new ATOM 68 N ILE A 5 9.067 -8.531 -1.123 1.00 0.00 N ATOM 69 CA ILE A 5 8.678 -7.678 -2.236 1.00 0.00 C ATOM 70 C ILE A 5 7.624 -6.663 -1.812 1.00 0.00 C ATOM 71 O ILE A 5 6.484 -7.022 -1.506 1.00 0.00 O ATOM 72 CB ILE A 5 8.126 -8.511 -3.412 1.00 0.00 C ATOM 73 CG1 ILE A 5 9.063 -9.678 -3.721 1.00 0.00 C ATOM 74 CG2 ILE A 5 7.933 -7.636 -4.641 1.00 0.00 C ATOM 75 CD1 ILE A 5 8.650 -10.975 -3.061 1.00 0.00 C ATOM 0 H ILE A 5 8.393 -9.260 -0.891 1.00 0.00 H new ATOM 0 HA ILE A 5 9.576 -7.150 -2.559 1.00 0.00 H new ATOM 0 HB ILE A 5 7.155 -8.915 -3.126 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.103 -9.825 -4.800 1.00 0.00 H new ATOM 0 HG13 ILE A 5 10.071 -9.420 -3.397 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.543 -8.240 -5.460 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.228 -6.837 -4.412 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.890 -7.203 -4.933 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.360 -11.759 -3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.638 -10.845 -1.979 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.654 -11.257 -3.404 1.00 0.00 H new ATOM 87 N VAL A 6 8.009 -5.391 -1.801 1.00 0.00 N ATOM 88 CA VAL A 6 7.097 -4.319 -1.420 1.00 0.00 C ATOM 89 C VAL A 6 6.664 -3.508 -2.637 1.00 0.00 C ATOM 90 O VAL A 6 7.497 -3.015 -3.391 1.00 0.00 O ATOM 91 CB VAL A 6 7.737 -3.370 -0.384 1.00 0.00 C ATOM 92 CG1 VAL A 6 9.078 -2.856 -0.885 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.796 -2.215 -0.064 1.00 0.00 C ATOM 0 H VAL A 6 8.947 -5.078 -2.052 1.00 0.00 H new ATOM 0 HA VAL A 6 6.224 -4.794 -0.972 1.00 0.00 H new ATOM 0 HB VAL A 6 7.912 -3.929 0.535 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.513 -2.189 -0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.750 -3.697 -1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.934 -2.313 -1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.264 -1.557 0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.586 -1.654 -0.975 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.864 -2.607 0.344 1.00 0.00 H new ATOM 103 N TRP A 7 5.356 -3.367 -2.817 1.00 0.00 N ATOM 104 CA TRP A 7 4.823 -2.605 -3.938 1.00 0.00 C ATOM 105 C TRP A 7 4.129 -1.341 -3.441 1.00 0.00 C ATOM 106 O TRP A 7 3.402 -1.368 -2.449 1.00 0.00 O ATOM 107 CB TRP A 7 3.866 -3.469 -4.766 1.00 0.00 C ATOM 108 CG TRP A 7 4.579 -4.482 -5.618 1.00 0.00 C ATOM 109 CD1 TRP A 7 5.914 -4.777 -5.592 1.00 0.00 C ATOM 110 CD2 TRP A 7 4.004 -5.335 -6.622 1.00 0.00 C ATOM 111 NE1 TRP A 7 6.206 -5.747 -6.516 1.00 0.00 N ATOM 112 CE2 TRP A 7 5.053 -6.110 -7.156 1.00 0.00 C ATOM 113 CE3 TRP A 7 2.710 -5.520 -7.119 1.00 0.00 C ATOM 114 CZ2 TRP A 7 4.846 -7.052 -8.161 1.00 0.00 C ATOM 115 CZ3 TRP A 7 2.509 -6.457 -8.117 1.00 0.00 C ATOM 116 CH2 TRP A 7 3.572 -7.212 -8.627 1.00 0.00 C ATOM 0 H TRP A 7 4.648 -3.769 -2.203 1.00 0.00 H new ATOM 0 HA TRP A 7 5.650 -2.306 -4.582 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.179 -3.985 -4.096 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.263 -2.824 -5.405 1.00 0.00 H new ATOM 0 HD1 TRP A 7 6.636 -4.312 -4.937 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.132 -6.135 -6.697 1.00 0.00 H new ATOM 0 HE3 TRP A 7 1.884 -4.943 -6.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 5.664 -7.635 -8.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 1.514 -6.609 -8.510 1.00 0.00 H new ATOM 0 HH2 TRP A 7 3.381 -7.936 -9.405 1.00 0.00 H new ATOM 127 N VAL A 8 4.380 -0.229 -4.122 1.00 0.00 N ATOM 128 CA VAL A 8 3.801 1.055 -3.732 1.00 0.00 C ATOM 129 C VAL A 8 3.059 1.706 -4.896 1.00 0.00 C ATOM 130 O VAL A 8 3.538 1.701 -6.025 1.00 0.00 O ATOM 131 CB VAL A 8 4.888 2.043 -3.238 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.446 2.749 -1.965 1.00 0.00 C ATOM 133 CG2 VAL A 8 6.223 1.334 -3.028 1.00 0.00 C ATOM 0 H VAL A 8 4.980 -0.188 -4.946 1.00 0.00 H new ATOM 0 HA VAL A 8 3.104 0.843 -2.921 1.00 0.00 H new ATOM 0 HB VAL A 8 5.026 2.797 -4.013 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.227 3.436 -1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.529 3.306 -2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.264 2.011 -1.184 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.966 2.052 -2.681 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.104 0.547 -2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.554 0.895 -3.969 1.00 0.00 H new ATOM 143 N VAL A 9 1.899 2.293 -4.614 1.00 0.00 N ATOM 144 CA VAL A 9 1.126 2.971 -5.650 1.00 0.00 C ATOM 145 C VAL A 9 1.035 4.464 -5.348 1.00 0.00 C ATOM 146 O VAL A 9 0.306 4.886 -4.449 1.00 0.00 O ATOM 147 CB VAL A 9 -0.302 2.386 -5.821 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.574 2.123 -7.293 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.477 1.111 -5.011 1.00 0.00 C ATOM 0 H VAL A 9 1.477 2.313 -3.686 1.00 0.00 H new ATOM 0 HA VAL A 9 1.656 2.810 -6.589 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.021 3.115 -5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.577 1.712 -7.410 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.497 3.057 -7.850 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.157 1.411 -7.676 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.487 0.726 -5.152 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.245 0.366 -5.345 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.315 1.326 -3.955 1.00 0.00 H new ATOM 159 N ASP A 10 1.794 5.253 -6.105 1.00 0.00 N ATOM 160 CA ASP A 10 1.821 6.702 -5.929 1.00 0.00 C ATOM 161 C ASP A 10 2.634 7.375 -7.025 1.00 0.00 C ATOM 162 O ASP A 10 3.838 7.156 -7.152 1.00 0.00 O ATOM 163 CB ASP A 10 2.396 7.063 -4.565 1.00 0.00 C ATOM 164 CG ASP A 10 1.850 8.374 -4.033 1.00 0.00 C ATOM 165 OD1 ASP A 10 1.319 9.168 -4.838 1.00 0.00 O ATOM 166 OD2 ASP A 10 1.957 8.609 -2.811 1.00 0.00 O ATOM 0 H ASP A 10 2.401 4.910 -6.850 1.00 0.00 H new ATOM 0 HA ASP A 10 0.794 7.062 -5.991 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.171 6.265 -3.857 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.482 7.128 -4.638 1.00 0.00 H new ATOM 171 N ASP A 11 1.950 8.203 -7.806 1.00 0.00 N ATOM 172 CA ASP A 11 2.560 8.941 -8.907 1.00 0.00 C ATOM 173 C ASP A 11 3.426 8.038 -9.784 1.00 0.00 C ATOM 174 O ASP A 11 2.952 7.511 -10.790 1.00 0.00 O ATOM 175 CB ASP A 11 3.376 10.126 -8.375 1.00 0.00 C ATOM 176 CG ASP A 11 2.915 11.445 -8.961 1.00 0.00 C ATOM 177 OD1 ASP A 11 1.959 12.035 -8.416 1.00 0.00 O ATOM 178 OD2 ASP A 11 3.508 11.888 -9.967 1.00 0.00 O ATOM 0 H ASP A 11 0.952 8.382 -7.693 1.00 0.00 H new ATOM 0 HA ASP A 11 1.754 9.325 -9.532 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.293 10.164 -7.289 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.430 9.974 -8.609 1.00 0.00 H new ATOM 183 N ASP A 12 4.693 7.866 -9.400 1.00 0.00 N ATOM 184 CA ASP A 12 5.630 7.033 -10.157 1.00 0.00 C ATOM 185 C ASP A 12 7.063 7.194 -9.619 1.00 0.00 C ATOM 186 O ASP A 12 7.282 7.145 -8.408 1.00 0.00 O ATOM 187 CB ASP A 12 5.573 7.394 -11.649 1.00 0.00 C ATOM 188 CG ASP A 12 6.022 6.256 -12.549 1.00 0.00 C ATOM 189 OD1 ASP A 12 6.626 5.292 -12.034 1.00 0.00 O ATOM 190 OD2 ASP A 12 5.773 6.334 -13.771 1.00 0.00 O ATOM 0 H ASP A 12 5.095 8.294 -8.566 1.00 0.00 H new ATOM 0 HA ASP A 12 5.338 5.990 -10.037 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.553 7.677 -11.911 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.202 8.265 -11.831 1.00 0.00 H new ATOM 195 N SER A 13 8.036 7.382 -10.523 1.00 0.00 N ATOM 196 CA SER A 13 9.442 7.540 -10.151 1.00 0.00 C ATOM 197 C SER A 13 9.613 8.410 -8.917 1.00 0.00 C ATOM 198 O SER A 13 10.424 8.115 -8.039 1.00 0.00 O ATOM 199 CB SER A 13 10.224 8.148 -11.311 1.00 0.00 C ATOM 200 OG SER A 13 10.258 7.269 -12.422 1.00 0.00 O ATOM 0 H SER A 13 7.867 7.428 -11.528 1.00 0.00 H new ATOM 0 HA SER A 13 9.828 6.548 -9.918 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.767 9.093 -11.605 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.241 8.372 -10.990 1.00 0.00 H new ATOM 0 HG SER A 13 10.764 7.684 -13.152 1.00 0.00 H new ATOM 206 N SER A 14 8.850 9.486 -8.868 1.00 0.00 N ATOM 207 CA SER A 14 8.908 10.419 -7.747 1.00 0.00 C ATOM 208 C SER A 14 8.723 9.685 -6.427 1.00 0.00 C ATOM 209 O SER A 14 9.630 9.651 -5.597 1.00 0.00 O ATOM 210 CB SER A 14 7.833 11.496 -7.902 1.00 0.00 C ATOM 211 OG SER A 14 8.177 12.432 -8.912 1.00 0.00 O ATOM 0 H SER A 14 8.179 9.740 -9.592 1.00 0.00 H new ATOM 0 HA SER A 14 9.889 10.893 -7.745 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.880 11.028 -8.148 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.698 12.016 -6.954 1.00 0.00 H new ATOM 0 HG SER A 14 7.470 13.106 -8.988 1.00 0.00 H new ATOM 217 N ILE A 15 7.552 9.085 -6.240 1.00 0.00 N ATOM 218 CA ILE A 15 7.280 8.348 -5.017 1.00 0.00 C ATOM 219 C ILE A 15 8.100 7.060 -4.970 1.00 0.00 C ATOM 220 O ILE A 15 8.331 6.497 -3.900 1.00 0.00 O ATOM 221 CB ILE A 15 5.776 8.023 -4.847 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.928 9.274 -5.110 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.518 7.484 -3.442 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.082 10.349 -4.057 1.00 0.00 C ATOM 0 H ILE A 15 6.786 9.095 -6.913 1.00 0.00 H new ATOM 0 HA ILE A 15 7.573 8.993 -4.189 1.00 0.00 H new ATOM 0 HB ILE A 15 5.493 7.260 -5.572 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.200 9.688 -6.081 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.879 8.984 -5.169 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.458 7.257 -3.328 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.102 6.577 -3.287 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.810 8.233 -2.706 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.452 11.201 -4.312 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.782 9.953 -3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.123 10.668 -4.012 1.00 0.00 H new ATOM 236 N ARG A 16 8.555 6.607 -6.137 1.00 0.00 N ATOM 237 CA ARG A 16 9.364 5.395 -6.226 1.00 0.00 C ATOM 238 C ARG A 16 10.745 5.619 -5.621 1.00 0.00 C ATOM 239 O ARG A 16 11.165 4.888 -4.729 1.00 0.00 O ATOM 240 CB ARG A 16 9.511 4.948 -7.683 1.00 0.00 C ATOM 241 CG ARG A 16 10.248 3.626 -7.849 1.00 0.00 C ATOM 242 CD ARG A 16 11.018 3.578 -9.158 1.00 0.00 C ATOM 243 NE ARG A 16 10.924 2.264 -9.795 1.00 0.00 N ATOM 244 CZ ARG A 16 11.906 1.705 -10.500 1.00 0.00 C ATOM 245 NH1 ARG A 16 13.052 2.347 -10.692 1.00 0.00 N ATOM 246 NH2 ARG A 16 11.739 0.495 -11.019 1.00 0.00 N ATOM 0 H ARG A 16 8.377 7.061 -7.033 1.00 0.00 H new ATOM 0 HA ARG A 16 8.853 4.614 -5.663 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.520 4.859 -8.128 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.041 5.721 -8.239 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.936 3.485 -7.016 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.534 2.803 -7.816 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.631 4.339 -9.836 1.00 0.00 H new ATOM 0 HD3 ARG A 16 12.065 3.818 -8.973 1.00 0.00 H new ATOM 0 HE ARG A 16 10.052 1.744 -9.693 1.00 0.00 H new ATOM 0 HH11 ARG A 16 13.187 3.278 -10.298 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.797 1.909 -11.234 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.861 -0.004 -10.877 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.489 0.064 -11.559 1.00 0.00 H new ATOM 260 N TRP A 17 11.446 6.635 -6.123 1.00 0.00 N ATOM 261 CA TRP A 17 12.789 6.961 -5.642 1.00 0.00 C ATOM 262 C TRP A 17 12.817 7.145 -4.124 1.00 0.00 C ATOM 263 O TRP A 17 13.723 6.654 -3.450 1.00 0.00 O ATOM 264 CB TRP A 17 13.307 8.228 -6.332 1.00 0.00 C ATOM 265 CG TRP A 17 14.705 8.589 -5.931 1.00 0.00 C ATOM 266 CD1 TRP A 17 15.864 8.088 -6.451 1.00 0.00 C ATOM 267 CD2 TRP A 17 15.089 9.524 -4.919 1.00 0.00 C ATOM 268 NE1 TRP A 17 16.946 8.654 -5.820 1.00 0.00 N ATOM 269 CE2 TRP A 17 16.497 9.538 -4.876 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.378 10.350 -4.047 1.00 0.00 C ATOM 271 CZ2 TRP A 17 17.206 10.347 -3.989 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.083 11.152 -3.167 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.483 11.144 -3.144 1.00 0.00 C ATOM 0 H TRP A 17 11.106 7.248 -6.864 1.00 0.00 H new ATOM 0 HA TRP A 17 13.440 6.122 -5.890 1.00 0.00 H new ATOM 0 HB2 TRP A 17 13.271 8.086 -7.412 1.00 0.00 H new ATOM 0 HB3 TRP A 17 12.642 9.059 -6.097 1.00 0.00 H new ATOM 0 HD1 TRP A 17 15.922 7.355 -7.242 1.00 0.00 H new ATOM 0 HE1 TRP A 17 17.924 8.449 -6.022 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.298 10.363 -4.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 18.286 10.345 -3.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 14.544 11.795 -2.487 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.003 11.781 -2.444 1.00 0.00 H new ATOM 284 N VAL A 18 11.842 7.875 -3.591 1.00 0.00 N ATOM 285 CA VAL A 18 11.787 8.136 -2.153 1.00 0.00 C ATOM 286 C VAL A 18 11.549 6.874 -1.335 1.00 0.00 C ATOM 287 O VAL A 18 12.183 6.666 -0.300 1.00 0.00 O ATOM 288 CB VAL A 18 10.686 9.156 -1.788 1.00 0.00 C ATOM 289 CG1 VAL A 18 10.934 9.730 -0.399 1.00 0.00 C ATOM 290 CG2 VAL A 18 10.605 10.267 -2.821 1.00 0.00 C ATOM 0 H VAL A 18 11.083 8.295 -4.128 1.00 0.00 H new ATOM 0 HA VAL A 18 12.767 8.545 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 18 9.729 8.635 -1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.150 10.447 -0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.928 8.924 0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.902 10.231 -0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.822 10.970 -2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.561 10.789 -2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.374 9.840 -3.797 1.00 0.00 H new ATOM 300 N LEU A 19 10.609 6.059 -1.776 1.00 0.00 N ATOM 301 CA LEU A 19 10.253 4.842 -1.056 1.00 0.00 C ATOM 302 C LEU A 19 11.170 3.666 -1.380 1.00 0.00 C ATOM 303 O LEU A 19 11.327 2.756 -0.564 1.00 0.00 O ATOM 304 CB LEU A 19 8.800 4.463 -1.344 1.00 0.00 C ATOM 305 CG LEU A 19 8.025 3.923 -0.142 1.00 0.00 C ATOM 306 CD1 LEU A 19 8.642 2.622 0.346 1.00 0.00 C ATOM 307 CD2 LEU A 19 7.994 4.954 0.974 1.00 0.00 C ATOM 0 H LEU A 19 10.075 6.215 -2.631 1.00 0.00 H new ATOM 0 HA LEU A 19 10.378 5.060 0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.280 5.341 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.785 3.712 -2.134 1.00 0.00 H new ATOM 0 HG LEU A 19 7.000 3.721 -0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.079 2.251 1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.614 1.883 -0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.676 2.798 0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.439 4.555 1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.013 5.186 1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.508 5.862 0.617 1.00 0.00 H new ATOM 319 N GLU A 20 11.758 3.666 -2.568 1.00 0.00 N ATOM 320 CA GLU A 20 12.633 2.576 -2.972 1.00 0.00 C ATOM 321 C GLU A 20 13.906 2.526 -2.133 1.00 0.00 C ATOM 322 O GLU A 20 14.164 1.534 -1.460 1.00 0.00 O ATOM 323 CB GLU A 20 12.966 2.670 -4.461 1.00 0.00 C ATOM 324 CG GLU A 20 13.633 3.963 -4.885 1.00 0.00 C ATOM 325 CD GLU A 20 15.134 3.825 -5.043 1.00 0.00 C ATOM 326 OE1 GLU A 20 15.685 2.794 -4.604 1.00 0.00 O ATOM 327 OE2 GLU A 20 15.760 4.749 -5.606 1.00 0.00 O ATOM 0 H GLU A 20 11.646 4.403 -3.264 1.00 0.00 H new ATOM 0 HA GLU A 20 12.093 1.645 -2.797 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.618 1.838 -4.726 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.046 2.548 -5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.202 4.296 -5.829 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.419 4.736 -4.147 1.00 0.00 H new ATOM 334 N ARG A 21 14.701 3.591 -2.176 1.00 0.00 N ATOM 335 CA ARG A 21 15.948 3.645 -1.418 1.00 0.00 C ATOM 336 C ARG A 21 15.728 3.327 0.059 1.00 0.00 C ATOM 337 O ARG A 21 16.258 2.346 0.576 1.00 0.00 O ATOM 338 CB ARG A 21 16.594 5.024 -1.550 1.00 0.00 C ATOM 339 CG ARG A 21 17.369 5.213 -2.842 1.00 0.00 C ATOM 340 CD ARG A 21 18.796 4.700 -2.720 1.00 0.00 C ATOM 341 NE ARG A 21 19.502 5.301 -1.588 1.00 0.00 N ATOM 342 CZ ARG A 21 20.086 6.498 -1.627 1.00 0.00 C ATOM 343 NH1 ARG A 21 20.037 7.234 -2.731 1.00 0.00 N ATOM 344 NH2 ARG A 21 20.718 6.961 -0.557 1.00 0.00 N ATOM 0 H ARG A 21 14.505 4.427 -2.726 1.00 0.00 H new ATOM 0 HA ARG A 21 16.611 2.888 -1.835 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.818 5.787 -1.487 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.266 5.183 -0.707 1.00 0.00 H new ATOM 0 HG2 ARG A 21 16.861 4.688 -3.651 1.00 0.00 H new ATOM 0 HG3 ARG A 21 17.383 6.270 -3.107 1.00 0.00 H new ATOM 0 HD2 ARG A 21 18.783 3.616 -2.604 1.00 0.00 H new ATOM 0 HD3 ARG A 21 19.338 4.916 -3.641 1.00 0.00 H new ATOM 0 HE ARG A 21 19.550 4.772 -0.717 1.00 0.00 H new ATOM 0 HH11 ARG A 21 19.550 6.884 -3.556 1.00 0.00 H new ATOM 0 HH12 ARG A 21 20.486 8.149 -2.754 1.00 0.00 H new ATOM 0 HH21 ARG A 21 20.757 6.401 0.295 1.00 0.00 H new ATOM 0 HH22 ARG A 21 21.165 7.877 -0.586 1.00 0.00 H new ATOM 358 N ALA A 22 14.954 4.168 0.737 1.00 0.00 N ATOM 359 CA ALA A 22 14.680 3.975 2.157 1.00 0.00 C ATOM 360 C ALA A 22 14.230 2.556 2.450 1.00 0.00 C ATOM 361 O ALA A 22 14.817 1.862 3.283 1.00 0.00 O ATOM 362 CB ALA A 22 13.641 4.980 2.632 1.00 0.00 C ATOM 0 H ALA A 22 14.506 4.988 0.328 1.00 0.00 H new ATOM 0 HA ALA A 22 15.607 4.142 2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.445 4.826 3.693 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.015 5.992 2.475 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.718 4.843 2.069 1.00 0.00 H new ATOM 368 N LEU A 23 13.198 2.125 1.755 1.00 0.00 N ATOM 369 CA LEU A 23 12.677 0.778 1.930 1.00 0.00 C ATOM 370 C LEU A 23 13.705 -0.252 1.454 1.00 0.00 C ATOM 371 O LEU A 23 13.663 -1.428 1.840 1.00 0.00 O ATOM 372 CB LEU A 23 11.348 0.619 1.193 1.00 0.00 C ATOM 373 CG LEU A 23 10.575 -0.663 1.516 1.00 0.00 C ATOM 374 CD1 LEU A 23 10.595 -0.949 3.013 1.00 0.00 C ATOM 375 CD2 LEU A 23 9.142 -0.572 1.016 1.00 0.00 C ATOM 0 H LEU A 23 12.701 2.685 1.063 1.00 0.00 H new ATOM 0 HA LEU A 23 12.492 0.605 2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 23 10.715 1.475 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.539 0.649 0.120 1.00 0.00 H new ATOM 0 HG LEU A 23 11.069 -1.488 1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.039 -1.864 3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.626 -1.069 3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 23 10.134 -0.119 3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.613 -1.494 1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.642 0.269 1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.142 -0.426 -0.064 1.00 0.00 H new ATOM 387 N ALA A 24 14.649 0.201 0.634 1.00 0.00 N ATOM 388 CA ALA A 24 15.700 -0.670 0.149 1.00 0.00 C ATOM 389 C ALA A 24 16.635 -1.003 1.302 1.00 0.00 C ATOM 390 O ALA A 24 17.134 -2.124 1.411 1.00 0.00 O ATOM 391 CB ALA A 24 16.466 -0.015 -0.992 1.00 0.00 C ATOM 0 H ALA A 24 14.703 1.162 0.296 1.00 0.00 H new ATOM 0 HA ALA A 24 15.257 -1.588 -0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.249 -0.689 -1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.782 0.199 -1.813 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.915 0.914 -0.642 1.00 0.00 H new ATOM 397 N GLY A 25 16.842 -0.020 2.182 1.00 0.00 N ATOM 398 CA GLY A 25 17.688 -0.234 3.338 1.00 0.00 C ATOM 399 C GLY A 25 17.182 -1.388 4.175 1.00 0.00 C ATOM 400 O GLY A 25 17.957 -2.067 4.850 1.00 0.00 O ATOM 0 H GLY A 25 16.439 0.914 2.111 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.709 -0.436 3.013 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.719 0.672 3.943 1.00 0.00 H new ATOM 404 N ALA A 26 15.873 -1.620 4.112 1.00 0.00 N ATOM 405 CA ALA A 26 15.256 -2.707 4.845 1.00 0.00 C ATOM 406 C ALA A 26 15.498 -4.038 4.133 1.00 0.00 C ATOM 407 O ALA A 26 15.341 -5.105 4.725 1.00 0.00 O ATOM 408 CB ALA A 26 13.768 -2.452 5.023 1.00 0.00 C ATOM 0 H ALA A 26 15.223 -1.064 3.557 1.00 0.00 H new ATOM 0 HA ALA A 26 15.713 -2.762 5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 26 13.321 -3.278 5.576 1.00 0.00 H new ATOM 0 HB2 ALA A 26 13.621 -1.524 5.576 1.00 0.00 H new ATOM 0 HB3 ALA A 26 13.293 -2.370 4.045 1.00 0.00 H new ATOM 414 N GLY A 27 15.909 -3.963 2.863 1.00 0.00 N ATOM 415 CA GLY A 27 16.194 -5.167 2.106 1.00 0.00 C ATOM 416 C GLY A 27 15.030 -5.679 1.275 1.00 0.00 C ATOM 417 O GLY A 27 14.957 -6.879 1.004 1.00 0.00 O ATOM 0 H GLY A 27 16.048 -3.091 2.352 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.039 -4.974 1.445 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.503 -5.951 2.797 1.00 0.00 H new ATOM 421 N LEU A 28 14.112 -4.802 0.863 1.00 0.00 N ATOM 422 CA LEU A 28 12.974 -5.252 0.066 1.00 0.00 C ATOM 423 C LEU A 28 12.977 -4.649 -1.338 1.00 0.00 C ATOM 424 O LEU A 28 13.676 -3.673 -1.610 1.00 0.00 O ATOM 425 CB LEU A 28 11.653 -4.925 0.760 1.00 0.00 C ATOM 426 CG LEU A 28 11.712 -4.860 2.282 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.053 -3.463 2.725 1.00 0.00 C ATOM 428 CD2 LEU A 28 10.393 -5.315 2.884 1.00 0.00 C ATOM 0 H LEU A 28 14.133 -3.802 1.062 1.00 0.00 H new ATOM 0 HA LEU A 28 13.073 -6.333 -0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.293 -3.966 0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.916 -5.676 0.474 1.00 0.00 H new ATOM 0 HG LEU A 28 12.493 -5.533 2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.093 -3.426 3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.023 -3.178 2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.291 -2.771 2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.452 -5.263 3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.590 -4.667 2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.190 -6.342 2.581 1.00 0.00 H new ATOM 440 N THR A 29 12.167 -5.240 -2.216 1.00 0.00 N ATOM 441 CA THR A 29 12.038 -4.773 -3.593 1.00 0.00 C ATOM 442 C THR A 29 10.857 -3.820 -3.697 1.00 0.00 C ATOM 443 O THR A 29 9.721 -4.194 -3.410 1.00 0.00 O ATOM 444 CB THR A 29 11.849 -5.957 -4.547 1.00 0.00 C ATOM 445 OG1 THR A 29 13.032 -6.732 -4.616 1.00 0.00 O ATOM 446 CG2 THR A 29 11.487 -5.547 -5.961 1.00 0.00 C ATOM 0 H THR A 29 11.587 -6.049 -1.994 1.00 0.00 H new ATOM 0 HA THR A 29 12.951 -4.249 -3.877 1.00 0.00 H new ATOM 0 HB THR A 29 11.018 -6.529 -4.133 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.894 -7.485 -5.228 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.369 -6.437 -6.579 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.552 -4.987 -5.949 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.279 -4.922 -6.373 1.00 0.00 H new ATOM 454 N CYS A 30 11.135 -2.582 -4.078 1.00 0.00 N ATOM 455 CA CYS A 30 10.094 -1.571 -4.179 1.00 0.00 C ATOM 456 C CYS A 30 9.767 -1.209 -5.622 1.00 0.00 C ATOM 457 O CYS A 30 10.613 -0.693 -6.353 1.00 0.00 O ATOM 458 CB CYS A 30 10.518 -0.318 -3.413 1.00 0.00 C ATOM 459 SG CYS A 30 11.455 -0.666 -1.906 1.00 0.00 S ATOM 0 H CYS A 30 12.070 -2.254 -4.322 1.00 0.00 H new ATOM 0 HA CYS A 30 9.189 -1.992 -3.741 1.00 0.00 H new ATOM 0 HB2 CYS A 30 11.122 0.310 -4.068 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.629 0.256 -3.152 1.00 0.00 H new ATOM 0 HG CYS A 30 12.659 -0.190 -2.024 1.00 0.00 H new ATOM 465 N THR A 31 8.519 -1.452 -6.009 1.00 0.00 N ATOM 466 CA THR A 31 8.048 -1.120 -7.346 1.00 0.00 C ATOM 467 C THR A 31 6.847 -0.189 -7.206 1.00 0.00 C ATOM 468 O THR A 31 6.032 -0.360 -6.299 1.00 0.00 O ATOM 469 CB THR A 31 7.687 -2.388 -8.143 1.00 0.00 C ATOM 470 OG1 THR A 31 7.709 -2.122 -9.534 1.00 0.00 O ATOM 471 CG2 THR A 31 6.319 -2.945 -7.835 1.00 0.00 C ATOM 0 H THR A 31 7.813 -1.880 -5.410 1.00 0.00 H new ATOM 0 HA THR A 31 8.839 -0.620 -7.905 1.00 0.00 H new ATOM 0 HB THR A 31 8.437 -3.121 -7.845 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.479 -2.937 -10.027 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.145 -3.836 -8.438 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.262 -3.205 -6.778 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.561 -2.197 -8.066 1.00 0.00 H new ATOM 479 N THR A 32 6.755 0.824 -8.060 1.00 0.00 N ATOM 480 CA THR A 32 5.667 1.786 -7.955 1.00 0.00 C ATOM 481 C THR A 32 4.729 1.755 -9.155 1.00 0.00 C ATOM 482 O THR A 32 5.056 1.218 -10.213 1.00 0.00 O ATOM 483 CB THR A 32 6.229 3.186 -7.746 1.00 0.00 C ATOM 484 OG1 THR A 32 7.070 3.550 -8.822 1.00 0.00 O ATOM 485 CG2 THR A 32 7.036 3.301 -6.472 1.00 0.00 C ATOM 0 H THR A 32 7.411 0.998 -8.822 1.00 0.00 H new ATOM 0 HA THR A 32 5.068 1.501 -7.090 1.00 0.00 H new ATOM 0 HB THR A 32 5.367 3.850 -7.682 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.714 4.352 -9.258 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.414 4.319 -6.371 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.403 3.063 -5.617 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.874 2.605 -6.508 1.00 0.00 H new ATOM 493 N PHE A 33 3.541 2.313 -8.950 1.00 0.00 N ATOM 494 CA PHE A 33 2.509 2.342 -9.970 1.00 0.00 C ATOM 495 C PHE A 33 1.828 3.708 -10.051 1.00 0.00 C ATOM 496 O PHE A 33 2.132 4.615 -9.278 1.00 0.00 O ATOM 497 CB PHE A 33 1.498 1.236 -9.721 1.00 0.00 C ATOM 498 CG PHE A 33 2.121 -0.129 -9.636 1.00 0.00 C ATOM 499 CD1 PHE A 33 2.902 -0.474 -8.548 1.00 0.00 C ATOM 500 CD2 PHE A 33 1.928 -1.066 -10.639 1.00 0.00 C ATOM 501 CE1 PHE A 33 3.478 -1.722 -8.460 1.00 0.00 C ATOM 502 CE2 PHE A 33 2.502 -2.316 -10.556 1.00 0.00 C ATOM 503 CZ PHE A 33 3.279 -2.647 -9.468 1.00 0.00 C ATOM 0 H PHE A 33 3.270 2.756 -8.072 1.00 0.00 H new ATOM 0 HA PHE A 33 2.984 2.169 -10.936 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.964 1.443 -8.793 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.759 1.241 -10.522 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.062 0.244 -7.757 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.321 -0.813 -11.496 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.085 -1.978 -7.604 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.343 -3.037 -11.345 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.731 -3.626 -9.403 1.00 0.00 H new ATOM 513 N GLU A 34 0.941 3.854 -11.033 1.00 0.00 N ATOM 514 CA GLU A 34 0.243 5.116 -11.283 1.00 0.00 C ATOM 515 C GLU A 34 -0.642 5.580 -10.115 1.00 0.00 C ATOM 516 O GLU A 34 -0.589 6.751 -9.742 1.00 0.00 O ATOM 517 CB GLU A 34 -0.615 4.984 -12.544 1.00 0.00 C ATOM 518 CG GLU A 34 -1.810 4.052 -12.378 1.00 0.00 C ATOM 519 CD GLU A 34 -2.086 3.210 -13.609 1.00 0.00 C ATOM 520 OE1 GLU A 34 -1.677 3.620 -14.716 1.00 0.00 O ATOM 521 OE2 GLU A 34 -2.713 2.138 -13.463 1.00 0.00 O ATOM 0 H GLU A 34 0.686 3.105 -11.676 1.00 0.00 H new ATOM 0 HA GLU A 34 1.016 5.874 -11.408 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.973 5.972 -12.834 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.008 4.619 -13.360 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.634 3.394 -11.527 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.695 4.644 -12.145 1.00 0.00 H new ATOM 528 N ASN A 35 -1.457 4.695 -9.542 1.00 0.00 N ATOM 529 CA ASN A 35 -2.325 5.098 -8.431 1.00 0.00 C ATOM 530 C ASN A 35 -2.968 3.910 -7.727 1.00 0.00 C ATOM 531 O ASN A 35 -3.284 3.988 -6.540 1.00 0.00 O ATOM 532 CB ASN A 35 -3.421 6.056 -8.914 1.00 0.00 C ATOM 533 CG ASN A 35 -4.010 5.650 -10.249 1.00 0.00 C ATOM 534 OD1 ASN A 35 -3.825 6.330 -11.257 1.00 0.00 O ATOM 535 ND2 ASN A 35 -4.733 4.537 -10.255 1.00 0.00 N ATOM 0 H ASN A 35 -1.536 3.716 -9.818 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.683 5.605 -7.711 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.216 6.097 -8.169 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.008 7.062 -8.995 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.163 4.213 -11.121 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.859 4.006 -9.393 1.00 0.00 H new ATOM 542 N GLY A 36 -3.166 2.821 -8.453 1.00 0.00 N ATOM 543 CA GLY A 36 -3.777 1.646 -7.862 1.00 0.00 C ATOM 544 C GLY A 36 -4.099 0.578 -8.883 1.00 0.00 C ATOM 545 O GLY A 36 -3.601 -0.543 -8.791 1.00 0.00 O ATOM 0 H GLY A 36 -2.916 2.728 -9.438 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.106 1.232 -7.109 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.692 1.938 -7.347 1.00 0.00 H new ATOM 549 N ASN A 37 -4.935 0.922 -9.860 1.00 0.00 N ATOM 550 CA ASN A 37 -5.324 -0.026 -10.902 1.00 0.00 C ATOM 551 C ASN A 37 -4.108 -0.730 -11.478 1.00 0.00 C ATOM 552 O ASN A 37 -4.168 -1.908 -11.828 1.00 0.00 O ATOM 553 CB ASN A 37 -6.101 0.682 -12.011 1.00 0.00 C ATOM 554 CG ASN A 37 -7.569 0.844 -11.665 1.00 0.00 C ATOM 555 OD1 ASN A 37 -8.190 -0.230 -11.187 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -8.138 1.923 -11.827 1.00 0.00 N flip ATOM 0 H ASN A 37 -5.355 1.847 -9.952 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.971 -0.777 -10.448 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.661 1.663 -12.192 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.008 0.115 -12.937 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.622 2.721 -12.197 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.126 2.019 -11.591 1.00 0.00 H new ATOM 563 N GLU A 38 -2.997 -0.011 -11.559 1.00 0.00 N ATOM 564 CA GLU A 38 -1.773 -0.591 -12.075 1.00 0.00 C ATOM 565 C GLU A 38 -1.344 -1.780 -11.216 1.00 0.00 C ATOM 566 O GLU A 38 -1.179 -2.886 -11.733 1.00 0.00 O ATOM 567 CB GLU A 38 -0.666 0.450 -12.136 1.00 0.00 C ATOM 568 CG GLU A 38 0.242 0.313 -13.349 1.00 0.00 C ATOM 569 CD GLU A 38 1.429 1.257 -13.299 1.00 0.00 C ATOM 570 OE1 GLU A 38 1.271 2.431 -13.697 1.00 0.00 O ATOM 571 OE2 GLU A 38 2.516 0.822 -12.863 1.00 0.00 O ATOM 0 H GLU A 38 -2.921 0.966 -11.276 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.962 -0.945 -13.088 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.115 1.443 -12.140 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.062 0.377 -11.232 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.602 -0.714 -13.415 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.334 0.507 -14.253 1.00 0.00 H new ATOM 578 N VAL A 39 -1.176 -1.576 -9.897 1.00 0.00 N ATOM 579 CA VAL A 39 -0.784 -2.690 -9.030 1.00 0.00 C ATOM 580 C VAL A 39 -1.745 -3.860 -9.199 1.00 0.00 C ATOM 581 O VAL A 39 -1.326 -5.013 -9.303 1.00 0.00 O ATOM 582 CB VAL A 39 -0.760 -2.306 -7.540 1.00 0.00 C ATOM 583 CG1 VAL A 39 -0.031 -3.370 -6.732 1.00 0.00 C ATOM 584 CG2 VAL A 39 -0.126 -0.944 -7.342 1.00 0.00 C ATOM 0 H VAL A 39 -1.301 -0.681 -9.425 1.00 0.00 H new ATOM 0 HA VAL A 39 0.226 -2.967 -9.334 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.788 -2.248 -7.182 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.022 -3.085 -5.680 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.542 -4.326 -6.845 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.994 -3.462 -7.092 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.121 -0.696 -6.281 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.898 -0.962 -7.715 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.698 -0.194 -7.887 1.00 0.00 H new ATOM 594 N LEU A 40 -3.038 -3.546 -9.230 1.00 0.00 N ATOM 595 CA LEU A 40 -4.075 -4.561 -9.391 1.00 0.00 C ATOM 596 C LEU A 40 -3.864 -5.354 -10.675 1.00 0.00 C ATOM 597 O LEU A 40 -3.999 -6.577 -10.692 1.00 0.00 O ATOM 598 CB LEU A 40 -5.459 -3.904 -9.403 1.00 0.00 C ATOM 599 CG LEU A 40 -5.690 -2.853 -8.314 1.00 0.00 C ATOM 600 CD1 LEU A 40 -7.040 -2.183 -8.493 1.00 0.00 C ATOM 601 CD2 LEU A 40 -5.586 -3.475 -6.930 1.00 0.00 C ATOM 0 H LEU A 40 -3.393 -2.593 -9.145 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.013 -5.249 -8.548 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.613 -3.437 -10.376 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.214 -4.683 -9.300 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.913 -2.095 -8.408 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.184 -1.440 -7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.078 -1.695 -9.467 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.829 -2.932 -8.432 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.754 -2.709 -6.173 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.337 -4.258 -6.826 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.593 -3.904 -6.798 1.00 0.00 H new ATOM 613 N ALA A 41 -3.527 -4.646 -11.750 1.00 0.00 N ATOM 614 CA ALA A 41 -3.291 -5.284 -13.040 1.00 0.00 C ATOM 615 C ALA A 41 -2.004 -6.091 -13.023 1.00 0.00 C ATOM 616 O ALA A 41 -1.981 -7.262 -13.404 1.00 0.00 O ATOM 617 CB ALA A 41 -3.252 -4.241 -14.149 1.00 0.00 C ATOM 0 H ALA A 41 -3.412 -3.633 -11.753 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.116 -5.970 -13.234 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.075 -4.733 -15.105 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.204 -3.711 -14.184 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.449 -3.531 -13.952 1.00 0.00 H new ATOM 623 N ALA A 42 -0.939 -5.455 -12.568 1.00 0.00 N ATOM 624 CA ALA A 42 0.364 -6.101 -12.481 1.00 0.00 C ATOM 625 C ALA A 42 0.322 -7.263 -11.500 1.00 0.00 C ATOM 626 O ALA A 42 1.088 -8.221 -11.619 1.00 0.00 O ATOM 627 CB ALA A 42 1.426 -5.094 -12.063 1.00 0.00 C ATOM 0 H ALA A 42 -0.949 -4.486 -12.251 1.00 0.00 H new ATOM 0 HA ALA A 42 0.621 -6.492 -13.466 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.394 -5.591 -12.002 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.476 -4.291 -12.798 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.170 -4.678 -11.089 1.00 0.00 H new ATOM 633 N LEU A 43 -0.576 -7.166 -10.525 1.00 0.00 N ATOM 634 CA LEU A 43 -0.726 -8.199 -9.510 1.00 0.00 C ATOM 635 C LEU A 43 -1.273 -9.491 -10.103 1.00 0.00 C ATOM 636 O LEU A 43 -1.072 -10.572 -9.551 1.00 0.00 O ATOM 637 CB LEU A 43 -1.646 -7.709 -8.395 1.00 0.00 C ATOM 638 CG LEU A 43 -0.943 -6.938 -7.281 1.00 0.00 C ATOM 639 CD1 LEU A 43 -1.906 -5.972 -6.612 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.346 -7.903 -6.268 1.00 0.00 C ATOM 0 H LEU A 43 -1.214 -6.377 -10.418 1.00 0.00 H new ATOM 0 HA LEU A 43 0.262 -8.409 -9.100 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.415 -7.071 -8.831 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.155 -8.568 -7.958 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.131 -6.355 -7.716 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.387 -5.431 -5.820 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.282 -5.263 -7.350 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.741 -6.528 -6.185 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.152 -7.340 -5.479 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.139 -8.512 -5.834 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.377 -8.550 -6.764 1.00 0.00 H new ATOM 652 N ALA A 44 -1.961 -9.377 -11.231 1.00 0.00 N ATOM 653 CA ALA A 44 -2.531 -10.542 -11.894 1.00 0.00 C ATOM 654 C ALA A 44 -1.450 -11.560 -12.246 1.00 0.00 C ATOM 655 O ALA A 44 -1.749 -12.720 -12.529 1.00 0.00 O ATOM 656 CB ALA A 44 -3.288 -10.121 -13.142 1.00 0.00 C ATOM 0 H ALA A 44 -2.138 -8.491 -11.705 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.227 -11.017 -11.203 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.708 -11.002 -13.627 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.093 -9.439 -12.867 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.607 -9.619 -13.829 1.00 0.00 H new ATOM 662 N SER A 45 -0.194 -11.121 -12.232 1.00 0.00 N ATOM 663 CA SER A 45 0.923 -11.991 -12.553 1.00 0.00 C ATOM 664 C SER A 45 1.876 -12.157 -11.364 1.00 0.00 C ATOM 665 O SER A 45 2.844 -12.914 -11.444 1.00 0.00 O ATOM 666 CB SER A 45 1.685 -11.443 -13.762 1.00 0.00 C ATOM 667 OG SER A 45 1.413 -12.205 -14.924 1.00 0.00 O ATOM 0 H SER A 45 0.071 -10.164 -12.000 1.00 0.00 H new ATOM 0 HA SER A 45 0.518 -12.974 -12.793 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.405 -10.403 -13.931 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.756 -11.456 -13.557 1.00 0.00 H new ATOM 0 HG SER A 45 1.910 -11.834 -15.682 1.00 0.00 H new ATOM 673 N LYS A 46 1.608 -11.456 -10.262 1.00 0.00 N ATOM 674 CA LYS A 46 2.461 -11.549 -9.081 1.00 0.00 C ATOM 675 C LYS A 46 1.804 -10.917 -7.859 1.00 0.00 C ATOM 676 O LYS A 46 0.852 -10.146 -7.979 1.00 0.00 O ATOM 677 CB LYS A 46 3.809 -10.880 -9.341 1.00 0.00 C ATOM 678 CG LYS A 46 4.968 -11.540 -8.611 1.00 0.00 C ATOM 679 CD LYS A 46 5.452 -10.682 -7.455 1.00 0.00 C ATOM 680 CE LYS A 46 6.938 -10.878 -7.200 1.00 0.00 C ATOM 681 NZ LYS A 46 7.188 -11.730 -6.006 1.00 0.00 N ATOM 0 H LYS A 46 0.814 -10.823 -10.164 1.00 0.00 H new ATOM 0 HA LYS A 46 2.614 -12.608 -8.876 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.011 -10.893 -10.412 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.750 -9.834 -9.040 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.657 -12.516 -8.237 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.789 -11.712 -9.307 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.254 -9.632 -7.672 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.891 -10.933 -6.555 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.399 -11.335 -8.075 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.413 -9.907 -7.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.168 -11.597 -5.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.533 -11.461 -5.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.038 -12.729 -6.255 1.00 0.00 H new ATOM 695 N THR A 47 2.327 -11.252 -6.682 1.00 0.00 N ATOM 696 CA THR A 47 1.806 -10.721 -5.433 1.00 0.00 C ATOM 697 C THR A 47 2.935 -10.360 -4.461 1.00 0.00 C ATOM 698 O THR A 47 3.625 -11.244 -3.955 1.00 0.00 O ATOM 699 CB THR A 47 0.864 -11.736 -4.777 1.00 0.00 C ATOM 700 OG1 THR A 47 -0.269 -11.968 -5.594 1.00 0.00 O ATOM 701 CG2 THR A 47 0.363 -11.308 -3.412 1.00 0.00 C ATOM 0 H THR A 47 3.114 -11.891 -6.571 1.00 0.00 H new ATOM 0 HA THR A 47 1.254 -9.810 -5.666 1.00 0.00 H new ATOM 0 HB THR A 47 1.461 -12.640 -4.656 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.858 -12.620 -5.159 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.298 -12.076 -3.010 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.210 -11.170 -2.740 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.184 -10.370 -3.503 1.00 0.00 H new ATOM 709 N PRO A 48 3.130 -9.060 -4.170 1.00 0.00 N ATOM 710 CA PRO A 48 4.167 -8.617 -3.236 1.00 0.00 C ATOM 711 C PRO A 48 3.800 -8.950 -1.791 1.00 0.00 C ATOM 712 O PRO A 48 2.653 -9.281 -1.494 1.00 0.00 O ATOM 713 CB PRO A 48 4.206 -7.103 -3.447 1.00 0.00 C ATOM 714 CG PRO A 48 2.830 -6.756 -3.894 1.00 0.00 C ATOM 715 CD PRO A 48 2.354 -7.926 -4.708 1.00 0.00 C ATOM 0 HA PRO A 48 5.126 -9.105 -3.413 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.469 -6.580 -2.527 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.949 -6.825 -4.195 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.175 -6.581 -3.041 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.831 -5.842 -4.488 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.282 -8.084 -4.594 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.544 -7.779 -5.771 1.00 0.00 H new ATOM 723 N ASP A 49 4.772 -8.872 -0.892 1.00 0.00 N ATOM 724 CA ASP A 49 4.526 -9.177 0.513 1.00 0.00 C ATOM 725 C ASP A 49 3.740 -8.055 1.195 1.00 0.00 C ATOM 726 O ASP A 49 3.060 -8.286 2.196 1.00 0.00 O ATOM 727 CB ASP A 49 5.843 -9.416 1.248 1.00 0.00 C ATOM 728 CG ASP A 49 6.477 -10.742 0.878 1.00 0.00 C ATOM 729 OD1 ASP A 49 6.884 -10.899 -0.291 1.00 0.00 O ATOM 730 OD2 ASP A 49 6.566 -11.623 1.758 1.00 0.00 O ATOM 0 H ASP A 49 5.732 -8.602 -1.107 1.00 0.00 H new ATOM 0 HA ASP A 49 3.927 -10.087 0.555 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.537 -8.607 1.018 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.667 -9.388 2.323 1.00 0.00 H new ATOM 735 N VAL A 50 3.834 -6.845 0.650 1.00 0.00 N ATOM 736 CA VAL A 50 3.130 -5.695 1.211 1.00 0.00 C ATOM 737 C VAL A 50 2.675 -4.755 0.092 1.00 0.00 C ATOM 738 O VAL A 50 3.110 -4.893 -1.052 1.00 0.00 O ATOM 739 CB VAL A 50 4.031 -4.933 2.208 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.306 -4.471 1.526 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.294 -3.755 2.826 1.00 0.00 C ATOM 0 H VAL A 50 4.390 -6.635 -0.179 1.00 0.00 H new ATOM 0 HA VAL A 50 2.254 -6.060 1.747 1.00 0.00 H new ATOM 0 HB VAL A 50 4.298 -5.618 3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.929 -3.936 2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.850 -5.336 1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.056 -3.808 0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.954 -3.238 3.523 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.985 -3.066 2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.414 -4.115 3.359 1.00 0.00 H new ATOM 751 N LEU A 51 1.788 -3.813 0.411 1.00 0.00 N ATOM 752 CA LEU A 51 1.276 -2.880 -0.592 1.00 0.00 C ATOM 753 C LEU A 51 0.847 -1.557 0.045 1.00 0.00 C ATOM 754 O LEU A 51 0.141 -1.537 1.055 1.00 0.00 O ATOM 755 CB LEU A 51 0.096 -3.523 -1.333 1.00 0.00 C ATOM 756 CG LEU A 51 -0.325 -2.842 -2.639 1.00 0.00 C ATOM 757 CD1 LEU A 51 0.811 -2.870 -3.650 1.00 0.00 C ATOM 758 CD2 LEU A 51 -1.565 -3.519 -3.212 1.00 0.00 C ATOM 0 H LEU A 51 1.411 -3.676 1.349 1.00 0.00 H new ATOM 0 HA LEU A 51 2.075 -2.660 -1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.351 -4.560 -1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.763 -3.541 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.564 -1.801 -2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.491 -2.381 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.675 -2.345 -3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.083 -3.904 -3.864 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.853 -3.025 -4.140 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.347 -4.568 -3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.382 -3.449 -2.494 1.00 0.00 H new ATOM 770 N LEU A 52 1.283 -0.452 -0.560 1.00 0.00 N ATOM 771 CA LEU A 52 0.958 0.887 -0.067 1.00 0.00 C ATOM 772 C LEU A 52 0.124 1.655 -1.092 1.00 0.00 C ATOM 773 O LEU A 52 0.388 1.583 -2.290 1.00 0.00 O ATOM 774 CB LEU A 52 2.246 1.657 0.229 1.00 0.00 C ATOM 775 CG LEU A 52 2.223 2.524 1.487 1.00 0.00 C ATOM 776 CD1 LEU A 52 3.610 3.074 1.769 1.00 0.00 C ATOM 777 CD2 LEU A 52 1.218 3.658 1.339 1.00 0.00 C ATOM 0 H LEU A 52 1.866 -0.458 -1.397 1.00 0.00 H new ATOM 0 HA LEU A 52 0.375 0.785 0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.064 0.942 0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.471 2.295 -0.626 1.00 0.00 H new ATOM 0 HG LEU A 52 1.915 1.905 2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.581 3.690 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.306 2.248 1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.940 3.679 0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.217 4.264 2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.494 4.280 0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.223 3.243 1.178 1.00 0.00 H new ATOM 789 N SER A 53 -0.881 2.392 -0.617 1.00 0.00 N ATOM 790 CA SER A 53 -1.745 3.168 -1.506 1.00 0.00 C ATOM 791 C SER A 53 -1.824 4.632 -1.069 1.00 0.00 C ATOM 792 O SER A 53 -2.104 4.933 0.093 1.00 0.00 O ATOM 793 CB SER A 53 -3.147 2.557 -1.550 1.00 0.00 C ATOM 794 OG SER A 53 -3.187 1.425 -2.402 1.00 0.00 O ATOM 0 H SER A 53 -1.116 2.468 0.373 1.00 0.00 H new ATOM 0 HA SER A 53 -1.309 3.137 -2.505 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.453 2.269 -0.544 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.861 3.303 -1.899 1.00 0.00 H new ATOM 0 HG SER A 53 -4.043 0.961 -2.289 1.00 0.00 H new ATOM 800 N ASP A 54 -1.573 5.534 -2.013 1.00 0.00 N ATOM 801 CA ASP A 54 -1.614 6.968 -1.739 1.00 0.00 C ATOM 802 C ASP A 54 -3.037 7.449 -1.480 1.00 0.00 C ATOM 803 O ASP A 54 -3.244 8.536 -0.948 1.00 0.00 O ATOM 804 CB ASP A 54 -1.019 7.743 -2.909 1.00 0.00 C ATOM 805 CG ASP A 54 -0.750 9.193 -2.562 1.00 0.00 C ATOM 806 OD1 ASP A 54 -0.705 9.515 -1.355 1.00 0.00 O ATOM 807 OD2 ASP A 54 -0.589 10.009 -3.494 1.00 0.00 O ATOM 0 H ASP A 54 -1.338 5.297 -2.977 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.024 7.149 -0.840 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.089 7.268 -3.221 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.701 7.696 -3.758 1.00 0.00 H new ATOM 812 N ILE A 55 -4.010 6.632 -1.868 1.00 0.00 N ATOM 813 CA ILE A 55 -5.420 6.960 -1.687 1.00 0.00 C ATOM 814 C ILE A 55 -5.730 8.409 -2.061 1.00 0.00 C ATOM 815 O ILE A 55 -5.989 9.246 -1.197 1.00 0.00 O ATOM 816 CB ILE A 55 -5.888 6.676 -0.238 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.350 7.073 -0.044 1.00 0.00 C ATOM 818 CG2 ILE A 55 -5.014 7.404 0.762 1.00 0.00 C ATOM 819 CD1 ILE A 55 -8.108 6.144 0.880 1.00 0.00 C ATOM 0 H ILE A 55 -3.846 5.729 -2.314 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.974 6.312 -2.367 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.797 5.603 -0.066 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.394 8.086 0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.846 7.092 -1.015 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.361 7.190 1.773 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.982 7.070 0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.069 8.477 0.579 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.139 6.485 0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.095 5.134 0.471 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.636 6.144 1.863 1.00 0.00 H new ATOM 831 N ARG A 56 -5.716 8.687 -3.362 1.00 0.00 N ATOM 832 CA ARG A 56 -6.009 10.024 -3.871 1.00 0.00 C ATOM 833 C ARG A 56 -5.859 10.068 -5.393 1.00 0.00 C ATOM 834 O ARG A 56 -5.027 10.804 -5.923 1.00 0.00 O ATOM 835 CB ARG A 56 -5.089 11.066 -3.222 1.00 0.00 C ATOM 836 CG ARG A 56 -3.608 10.766 -3.387 1.00 0.00 C ATOM 837 CD ARG A 56 -2.751 11.732 -2.582 1.00 0.00 C ATOM 838 NE ARG A 56 -1.913 12.569 -3.439 1.00 0.00 N ATOM 839 CZ ARG A 56 -1.188 13.595 -2.994 1.00 0.00 C ATOM 840 NH1 ARG A 56 -1.197 13.910 -1.704 1.00 0.00 N ATOM 841 NH2 ARG A 56 -0.451 14.303 -3.840 1.00 0.00 N ATOM 0 H ARG A 56 -5.504 8.001 -4.086 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.041 10.262 -3.615 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.302 12.044 -3.654 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.321 11.129 -2.159 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.405 9.744 -3.067 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.338 10.830 -4.441 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.395 12.367 -1.974 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.118 11.169 -1.895 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.881 12.355 -4.436 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.760 13.366 -1.050 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.641 14.696 -1.367 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.439 14.062 -4.831 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.104 15.088 -3.499 1.00 0.00 H new ATOM 855 N MET A 57 -6.675 9.274 -6.092 1.00 0.00 N ATOM 856 CA MET A 57 -6.628 9.228 -7.554 1.00 0.00 C ATOM 857 C MET A 57 -7.906 8.615 -8.144 1.00 0.00 C ATOM 858 O MET A 57 -8.647 9.291 -8.858 1.00 0.00 O ATOM 859 CB MET A 57 -5.396 8.448 -8.029 1.00 0.00 C ATOM 860 CG MET A 57 -4.770 9.005 -9.299 1.00 0.00 C ATOM 861 SD MET A 57 -3.401 10.132 -8.973 1.00 0.00 S ATOM 862 CE MET A 57 -4.283 11.671 -8.729 1.00 0.00 C ATOM 0 H MET A 57 -7.371 8.659 -5.672 1.00 0.00 H new ATOM 0 HA MET A 57 -6.556 10.255 -7.911 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.649 8.449 -7.236 1.00 0.00 H new ATOM 0 HB3 MET A 57 -5.678 7.409 -8.199 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.415 8.179 -9.915 1.00 0.00 H new ATOM 0 HG3 MET A 57 -5.534 9.527 -9.875 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.856 12.441 -9.371 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.335 11.531 -8.980 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.196 11.979 -7.687 1.00 0.00 H new ATOM 872 N PRO A 58 -8.182 7.323 -7.869 1.00 0.00 N ATOM 873 CA PRO A 58 -9.375 6.635 -8.393 1.00 0.00 C ATOM 874 C PRO A 58 -10.685 7.240 -7.897 1.00 0.00 C ATOM 875 O PRO A 58 -10.710 8.347 -7.360 1.00 0.00 O ATOM 876 CB PRO A 58 -9.227 5.206 -7.859 1.00 0.00 C ATOM 877 CG PRO A 58 -8.335 5.341 -6.677 1.00 0.00 C ATOM 878 CD PRO A 58 -7.363 6.421 -7.041 1.00 0.00 C ATOM 0 HA PRO A 58 -9.425 6.708 -9.479 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.193 4.784 -7.581 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -8.794 4.545 -8.610 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.902 5.605 -5.784 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.821 4.404 -6.462 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -6.969 6.926 -6.159 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -6.508 6.029 -7.592 1.00 0.00 H new ATOM 886 N GLY A 59 -11.772 6.496 -8.087 1.00 0.00 N ATOM 887 CA GLY A 59 -13.080 6.955 -7.661 1.00 0.00 C ATOM 888 C GLY A 59 -13.172 7.144 -6.161 1.00 0.00 C ATOM 889 O GLY A 59 -13.300 8.270 -5.681 1.00 0.00 O ATOM 0 H GLY A 59 -11.768 5.578 -8.531 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.309 7.898 -8.157 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.835 6.236 -7.980 1.00 0.00 H new ATOM 893 N MET A 60 -13.101 6.045 -5.414 1.00 0.00 N ATOM 894 CA MET A 60 -13.175 6.115 -3.958 1.00 0.00 C ATOM 895 C MET A 60 -11.831 6.522 -3.368 1.00 0.00 C ATOM 896 O MET A 60 -11.313 5.868 -2.463 1.00 0.00 O ATOM 897 CB MET A 60 -13.624 4.774 -3.371 1.00 0.00 C ATOM 898 CG MET A 60 -15.053 4.406 -3.729 1.00 0.00 C ATOM 899 SD MET A 60 -15.171 2.858 -4.646 1.00 0.00 S ATOM 900 CE MET A 60 -16.907 2.472 -4.430 1.00 0.00 C ATOM 0 H MET A 60 -12.993 5.103 -5.789 1.00 0.00 H new ATOM 0 HA MET A 60 -13.913 6.873 -3.696 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.955 3.989 -3.725 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.527 4.810 -2.286 1.00 0.00 H new ATOM 0 HG2 MET A 60 -15.642 4.327 -2.815 1.00 0.00 H new ATOM 0 HG3 MET A 60 -15.492 5.208 -4.323 1.00 0.00 H new ATOM 0 HE1 MET A 60 -17.166 1.608 -5.042 1.00 0.00 H new ATOM 0 HE2 MET A 60 -17.102 2.246 -3.382 1.00 0.00 H new ATOM 0 HE3 MET A 60 -17.511 3.327 -4.735 1.00 0.00 H new ATOM 910 N ASP A 61 -11.278 7.613 -3.891 1.00 0.00 N ATOM 911 CA ASP A 61 -9.996 8.140 -3.432 1.00 0.00 C ATOM 912 C ASP A 61 -8.905 7.076 -3.487 1.00 0.00 C ATOM 913 O ASP A 61 -8.039 7.106 -4.358 1.00 0.00 O ATOM 914 CB ASP A 61 -10.131 8.688 -2.009 1.00 0.00 C ATOM 915 CG ASP A 61 -10.002 10.198 -1.960 1.00 0.00 C ATOM 916 OD1 ASP A 61 -10.945 10.888 -2.400 1.00 0.00 O ATOM 917 OD2 ASP A 61 -8.959 10.691 -1.481 1.00 0.00 O ATOM 0 H ASP A 61 -11.704 8.155 -4.642 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.706 8.950 -4.101 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.097 8.395 -1.599 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.366 8.239 -1.375 1.00 0.00 H new ATOM 922 N GLY A 62 -8.953 6.143 -2.545 1.00 0.00 N ATOM 923 CA GLY A 62 -7.967 5.083 -2.493 1.00 0.00 C ATOM 924 C GLY A 62 -8.556 3.770 -2.042 1.00 0.00 C ATOM 925 O GLY A 62 -8.147 2.705 -2.508 1.00 0.00 O ATOM 0 H GLY A 62 -9.662 6.102 -1.813 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.520 4.958 -3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.164 5.370 -1.814 1.00 0.00 H new ATOM 929 N LEU A 63 -9.524 3.838 -1.138 1.00 0.00 N ATOM 930 CA LEU A 63 -10.168 2.637 -0.638 1.00 0.00 C ATOM 931 C LEU A 63 -10.693 1.809 -1.806 1.00 0.00 C ATOM 932 O LEU A 63 -10.850 0.592 -1.699 1.00 0.00 O ATOM 933 CB LEU A 63 -11.289 2.981 0.347 1.00 0.00 C ATOM 934 CG LEU A 63 -11.014 4.184 1.260 1.00 0.00 C ATOM 935 CD1 LEU A 63 -11.534 5.467 0.634 1.00 0.00 C ATOM 936 CD2 LEU A 63 -11.620 3.971 2.638 1.00 0.00 C ATOM 0 H LEU A 63 -9.877 4.708 -0.739 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.432 2.045 -0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.200 3.176 -0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.482 2.109 0.971 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.934 4.277 1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.328 6.306 1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.038 5.632 -0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.609 5.385 0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.411 4.838 3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.698 3.842 2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.186 3.081 3.093 1.00 0.00 H new ATOM 948 N ALA A 64 -10.931 2.476 -2.939 1.00 0.00 N ATOM 949 CA ALA A 64 -11.398 1.799 -4.144 1.00 0.00 C ATOM 950 C ALA A 64 -10.449 0.654 -4.495 1.00 0.00 C ATOM 951 O ALA A 64 -10.875 -0.407 -4.949 1.00 0.00 O ATOM 952 CB ALA A 64 -11.500 2.783 -5.305 1.00 0.00 C ATOM 0 H ALA A 64 -10.807 3.483 -3.043 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.391 1.390 -3.957 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.850 2.260 -6.195 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.203 3.575 -5.050 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.520 3.217 -5.501 1.00 0.00 H new ATOM 958 N LEU A 65 -9.157 0.886 -4.259 1.00 0.00 N ATOM 959 CA LEU A 65 -8.127 -0.115 -4.527 1.00 0.00 C ATOM 960 C LEU A 65 -8.393 -1.377 -3.717 1.00 0.00 C ATOM 961 O LEU A 65 -8.494 -2.475 -4.267 1.00 0.00 O ATOM 962 CB LEU A 65 -6.745 0.435 -4.162 1.00 0.00 C ATOM 963 CG LEU A 65 -6.051 1.248 -5.251 1.00 0.00 C ATOM 964 CD1 LEU A 65 -6.941 2.390 -5.707 1.00 0.00 C ATOM 965 CD2 LEU A 65 -4.722 1.780 -4.740 1.00 0.00 C ATOM 0 H LEU A 65 -8.799 1.763 -3.881 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.152 -0.355 -5.590 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.845 1.060 -3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.101 -0.401 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.861 0.599 -6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.432 2.960 -6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.873 1.988 -6.104 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.158 3.042 -4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.236 2.359 -5.525 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.895 2.418 -3.873 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.082 0.945 -4.455 1.00 0.00 H new ATOM 977 N LEU A 66 -8.503 -1.204 -2.402 1.00 0.00 N ATOM 978 CA LEU A 66 -8.759 -2.315 -1.490 1.00 0.00 C ATOM 979 C LEU A 66 -9.846 -3.228 -2.046 1.00 0.00 C ATOM 980 O LEU A 66 -9.729 -4.453 -1.999 1.00 0.00 O ATOM 981 CB LEU A 66 -9.166 -1.787 -0.113 1.00 0.00 C ATOM 982 CG LEU A 66 -8.184 -0.790 0.514 1.00 0.00 C ATOM 983 CD1 LEU A 66 -8.861 0.007 1.616 1.00 0.00 C ATOM 984 CD2 LEU A 66 -6.961 -1.512 1.054 1.00 0.00 C ATOM 0 H LEU A 66 -8.418 -0.298 -1.942 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.841 -2.894 -1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.142 -1.309 -0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.283 -2.633 0.564 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.859 -0.096 -0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.148 0.709 2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.705 0.557 1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.216 -0.672 2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.276 -0.788 1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.269 -2.230 1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.460 -2.037 0.241 1.00 0.00 H new ATOM 996 N LYS A 67 -10.896 -2.617 -2.590 1.00 0.00 N ATOM 997 CA LYS A 67 -11.998 -3.372 -3.175 1.00 0.00 C ATOM 998 C LYS A 67 -11.477 -4.284 -4.284 1.00 0.00 C ATOM 999 O LYS A 67 -11.805 -5.469 -4.341 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.063 -2.422 -3.730 1.00 0.00 C ATOM 1001 CG LYS A 67 -13.866 -1.714 -2.649 1.00 0.00 C ATOM 1002 CD LYS A 67 -14.656 -0.542 -3.214 1.00 0.00 C ATOM 1003 CE LYS A 67 -16.117 -0.600 -2.797 1.00 0.00 C ATOM 1004 NZ LYS A 67 -16.314 -0.138 -1.395 1.00 0.00 N ATOM 0 H LYS A 67 -11.006 -1.604 -2.637 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.452 -3.985 -2.397 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.580 -1.676 -4.360 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.744 -2.985 -4.368 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.550 -2.422 -2.180 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.193 -1.357 -1.870 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.216 0.394 -2.870 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.587 -0.546 -4.302 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.711 0.018 -3.470 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.483 -1.622 -2.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.264 -0.410 -1.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.599 -0.577 -0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.217 0.897 -1.354 1.00 0.00 H new ATOM 1018 N GLN A 68 -10.651 -3.725 -5.163 1.00 0.00 N ATOM 1019 CA GLN A 68 -10.076 -4.490 -6.260 1.00 0.00 C ATOM 1020 C GLN A 68 -9.093 -5.528 -5.726 1.00 0.00 C ATOM 1021 O GLN A 68 -8.911 -6.591 -6.321 1.00 0.00 O ATOM 1022 CB GLN A 68 -9.358 -3.566 -7.243 1.00 0.00 C ATOM 1023 CG GLN A 68 -10.281 -2.634 -8.013 1.00 0.00 C ATOM 1024 CD GLN A 68 -11.327 -3.377 -8.820 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -12.188 -4.061 -8.267 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -11.256 -3.245 -10.139 1.00 0.00 N ATOM 0 H GLN A 68 -10.366 -2.746 -5.136 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.888 -4.998 -6.780 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.630 -2.967 -6.695 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.799 -4.175 -7.954 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.778 -1.963 -7.313 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.686 -2.013 -8.682 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.525 -2.668 -10.555 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.932 -3.721 -10.736 1.00 0.00 H new ATOM 1035 N ILE A 69 -8.456 -5.206 -4.603 1.00 0.00 N ATOM 1036 CA ILE A 69 -7.485 -6.102 -3.986 1.00 0.00 C ATOM 1037 C ILE A 69 -8.148 -7.380 -3.498 1.00 0.00 C ATOM 1038 O ILE A 69 -7.637 -8.480 -3.707 1.00 0.00 O ATOM 1039 CB ILE A 69 -6.760 -5.420 -2.805 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -5.974 -4.205 -3.299 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -5.834 -6.400 -2.099 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -5.549 -3.271 -2.188 1.00 0.00 C ATOM 0 H ILE A 69 -8.596 -4.329 -4.102 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.752 -6.351 -4.753 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.510 -5.086 -2.088 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.088 -4.548 -3.834 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.584 -3.653 -4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.335 -5.897 -1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.415 -7.239 -1.716 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.088 -6.767 -2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.996 -2.432 -2.610 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.432 -2.899 -1.667 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.912 -3.808 -1.485 1.00 0.00 H new ATOM 1054 N LYS A 70 -9.285 -7.223 -2.841 1.00 0.00 N ATOM 1055 CA LYS A 70 -10.023 -8.361 -2.311 1.00 0.00 C ATOM 1056 C LYS A 70 -10.529 -9.255 -3.437 1.00 0.00 C ATOM 1057 O LYS A 70 -10.675 -10.464 -3.264 1.00 0.00 O ATOM 1058 CB LYS A 70 -11.186 -7.892 -1.433 1.00 0.00 C ATOM 1059 CG LYS A 70 -12.238 -7.096 -2.181 1.00 0.00 C ATOM 1060 CD LYS A 70 -13.530 -7.000 -1.387 1.00 0.00 C ATOM 1061 CE LYS A 70 -14.599 -7.918 -1.956 1.00 0.00 C ATOM 1062 NZ LYS A 70 -15.912 -7.732 -1.282 1.00 0.00 N ATOM 0 H LYS A 70 -9.719 -6.318 -2.661 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.341 -8.946 -1.694 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.659 -8.762 -0.978 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.792 -7.281 -0.621 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.860 -6.094 -2.387 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.435 -7.566 -3.144 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.340 -7.262 -0.346 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.889 -5.971 -1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.710 -7.727 -3.023 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.281 -8.955 -1.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.612 -8.377 -1.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.814 -7.939 -0.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.230 -6.749 -1.406 1.00 0.00 H new ATOM 1076 N GLN A 71 -10.785 -8.654 -4.590 1.00 0.00 N ATOM 1077 CA GLN A 71 -11.265 -9.395 -5.748 1.00 0.00 C ATOM 1078 C GLN A 71 -10.151 -10.243 -6.352 1.00 0.00 C ATOM 1079 O GLN A 71 -10.385 -11.351 -6.831 1.00 0.00 O ATOM 1080 CB GLN A 71 -11.819 -8.436 -6.800 1.00 0.00 C ATOM 1081 CG GLN A 71 -13.322 -8.244 -6.708 1.00 0.00 C ATOM 1082 CD GLN A 71 -13.755 -6.864 -7.163 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -14.403 -6.716 -8.199 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -13.397 -5.848 -6.389 1.00 0.00 N ATOM 0 H GLN A 71 -10.668 -7.653 -4.749 1.00 0.00 H new ATOM 0 HA GLN A 71 -12.063 -10.059 -5.417 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.329 -7.468 -6.693 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.568 -8.812 -7.792 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -13.820 -8.998 -7.317 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -13.644 -8.402 -5.679 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.860 -6.019 -5.539 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.659 -4.896 -6.644 1.00 0.00 H new ATOM 1093 N ARG A 72 -8.943 -9.701 -6.329 1.00 0.00 N ATOM 1094 CA ARG A 72 -7.779 -10.390 -6.878 1.00 0.00 C ATOM 1095 C ARG A 72 -6.987 -11.101 -5.792 1.00 0.00 C ATOM 1096 O ARG A 72 -6.967 -12.331 -5.715 1.00 0.00 O ATOM 1097 CB ARG A 72 -6.871 -9.397 -7.608 1.00 0.00 C ATOM 1098 CG ARG A 72 -7.313 -9.096 -9.030 1.00 0.00 C ATOM 1099 CD ARG A 72 -7.342 -7.600 -9.306 1.00 0.00 C ATOM 1100 NE ARG A 72 -8.699 -7.065 -9.264 1.00 0.00 N ATOM 1101 CZ ARG A 72 -9.674 -7.452 -10.080 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -9.446 -8.372 -11.011 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -10.881 -6.913 -9.970 1.00 0.00 N ATOM 0 H ARG A 72 -8.740 -8.782 -5.935 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.142 -11.139 -7.582 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.837 -8.466 -7.043 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.856 -9.794 -7.629 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.636 -9.582 -9.732 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.304 -9.517 -9.200 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.725 -7.083 -8.571 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.904 -7.403 -10.285 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.912 -6.352 -8.567 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.518 -8.786 -11.103 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.199 -8.665 -11.634 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.060 -6.203 -9.260 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.631 -7.209 -10.595 1.00 0.00 H new ATOM 1117 N HIS A 73 -6.324 -10.311 -4.967 1.00 0.00 N ATOM 1118 CA HIS A 73 -5.504 -10.837 -3.884 1.00 0.00 C ATOM 1119 C HIS A 73 -6.022 -10.390 -2.519 1.00 0.00 C ATOM 1120 O HIS A 73 -5.468 -9.476 -1.907 1.00 0.00 O ATOM 1121 CB HIS A 73 -4.046 -10.397 -4.060 1.00 0.00 C ATOM 1122 CG HIS A 73 -3.850 -8.907 -4.143 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -2.965 -8.232 -3.337 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -4.414 -7.964 -4.939 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -2.988 -6.946 -3.627 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -3.860 -6.756 -4.595 1.00 0.00 N ATOM 0 H HIS A 73 -6.336 -9.293 -5.026 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.560 -11.925 -3.925 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -3.460 -10.782 -3.225 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -3.648 -10.854 -4.966 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -5.160 -8.132 -5.701 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.393 -6.180 -3.152 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -4.087 -5.857 -5.020 1.00 0.00 H new ATOM 1135 N PRO A 74 -7.093 -11.029 -2.020 1.00 0.00 N ATOM 1136 CA PRO A 74 -7.678 -10.690 -0.720 1.00 0.00 C ATOM 1137 C PRO A 74 -6.857 -11.229 0.451 1.00 0.00 C ATOM 1138 O PRO A 74 -7.372 -11.964 1.294 1.00 0.00 O ATOM 1139 CB PRO A 74 -9.044 -11.370 -0.767 1.00 0.00 C ATOM 1140 CG PRO A 74 -8.842 -12.548 -1.656 1.00 0.00 C ATOM 1141 CD PRO A 74 -7.820 -12.131 -2.681 1.00 0.00 C ATOM 0 HA PRO A 74 -7.722 -9.613 -0.561 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.371 -11.674 0.227 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.808 -10.700 -1.162 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.493 -13.410 -1.087 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.777 -12.839 -2.135 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.153 -12.953 -2.939 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.292 -11.801 -3.606 1.00 0.00 H new ATOM 1149 N MET A 75 -5.578 -10.863 0.501 1.00 0.00 N ATOM 1150 CA MET A 75 -4.697 -11.320 1.575 1.00 0.00 C ATOM 1151 C MET A 75 -3.539 -10.353 1.796 1.00 0.00 C ATOM 1152 O MET A 75 -3.180 -10.040 2.931 1.00 0.00 O ATOM 1153 CB MET A 75 -4.161 -12.720 1.261 1.00 0.00 C ATOM 1154 CG MET A 75 -5.240 -13.694 0.817 1.00 0.00 C ATOM 1155 SD MET A 75 -4.599 -15.345 0.473 1.00 0.00 S ATOM 1156 CE MET A 75 -6.118 -16.218 0.099 1.00 0.00 C ATOM 0 H MET A 75 -5.130 -10.255 -0.185 1.00 0.00 H new ATOM 0 HA MET A 75 -5.283 -11.358 2.493 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.406 -12.645 0.479 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.665 -13.118 2.146 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.003 -13.761 1.592 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.727 -13.305 -0.077 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.892 -17.258 -0.136 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.783 -16.177 0.962 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.605 -15.750 -0.757 1.00 0.00 H new ATOM 1166 N LEU A 76 -2.964 -9.893 0.700 1.00 0.00 N ATOM 1167 CA LEU A 76 -1.840 -8.959 0.738 1.00 0.00 C ATOM 1168 C LEU A 76 -2.157 -7.730 1.593 1.00 0.00 C ATOM 1169 O LEU A 76 -3.155 -7.047 1.360 1.00 0.00 O ATOM 1170 CB LEU A 76 -1.506 -8.530 -0.682 1.00 0.00 C ATOM 1171 CG LEU A 76 -0.025 -8.364 -0.989 1.00 0.00 C ATOM 1172 CD1 LEU A 76 0.194 -8.279 -2.492 1.00 0.00 C ATOM 1173 CD2 LEU A 76 0.515 -7.127 -0.296 1.00 0.00 C ATOM 0 H LEU A 76 -3.258 -10.152 -0.242 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.986 -9.463 1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.921 -9.265 -1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.009 -7.584 -0.884 1.00 0.00 H new ATOM 0 HG LEU A 76 0.515 -9.233 -0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.258 -8.160 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.168 -9.192 -2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.351 -7.423 -2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.576 -7.017 -0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.024 -6.248 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.382 -7.226 0.781 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.313 -7.429 2.596 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.520 -6.276 3.479 1.00 0.00 C ATOM 1187 C PRO A 77 -1.494 -4.944 2.732 1.00 0.00 C ATOM 1188 O PRO A 77 -0.564 -4.664 1.973 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.346 -6.345 4.463 1.00 0.00 C ATOM 1190 CG PRO A 77 0.184 -7.734 4.355 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.099 -8.184 2.955 1.00 0.00 C ATOM 0 HA PRO A 77 -2.499 -6.320 3.955 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.420 -5.612 4.211 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.673 -6.128 5.480 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.254 -7.759 4.563 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.297 -8.391 5.079 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.729 -7.957 2.284 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.265 -9.260 2.904 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.514 -4.119 2.963 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.599 -2.808 2.326 1.00 0.00 C ATOM 1201 C VAL A 78 -2.387 -1.700 3.343 1.00 0.00 C ATOM 1202 O VAL A 78 -2.900 -1.761 4.462 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.959 -2.575 1.637 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.882 -1.377 0.697 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.416 -3.819 0.891 1.00 0.00 C ATOM 0 H VAL A 78 -3.292 -4.336 3.586 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.814 -2.788 1.570 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.698 -2.361 2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.850 -1.227 0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.615 -0.486 1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.125 -1.561 -0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.377 -3.625 0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.680 -4.078 0.130 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.519 -4.647 1.593 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.639 -0.681 2.946 1.00 0.00 N ATOM 1216 CA ILE A 79 -1.368 0.449 3.820 1.00 0.00 C ATOM 1217 C ILE A 79 -1.801 1.754 3.158 1.00 0.00 C ATOM 1218 O ILE A 79 -1.230 2.164 2.153 1.00 0.00 O ATOM 1219 CB ILE A 79 0.127 0.536 4.189 1.00 0.00 C ATOM 1220 CG1 ILE A 79 0.659 -0.844 4.595 1.00 0.00 C ATOM 1221 CG2 ILE A 79 0.335 1.544 5.310 1.00 0.00 C ATOM 1222 CD1 ILE A 79 1.833 -1.309 3.762 1.00 0.00 C ATOM 0 H ILE A 79 -1.209 -0.614 2.023 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.941 0.295 4.734 1.00 0.00 H new ATOM 0 HB ILE A 79 0.684 0.873 3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.956 -0.816 5.643 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.147 -1.574 4.512 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.394 1.596 5.561 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.009 2.526 4.985 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.231 1.233 6.188 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.156 -2.292 4.105 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.535 -1.370 2.715 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.655 -0.601 3.864 1.00 0.00 H new ATOM 1234 N ILE A 80 -2.820 2.393 3.723 1.00 0.00 N ATOM 1235 CA ILE A 80 -3.325 3.649 3.174 1.00 0.00 C ATOM 1236 C ILE A 80 -2.812 4.849 3.970 1.00 0.00 C ATOM 1237 O ILE A 80 -2.618 4.762 5.183 1.00 0.00 O ATOM 1238 CB ILE A 80 -4.865 3.672 3.138 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -5.399 2.332 2.620 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -5.349 4.819 2.267 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.985 2.027 1.198 1.00 0.00 C ATOM 0 H ILE A 80 -3.311 2.066 4.555 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.952 3.719 2.152 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.244 3.825 4.149 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.046 1.533 3.272 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.487 2.336 2.680 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.439 4.827 2.248 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.987 5.763 2.674 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.969 4.691 1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.398 1.064 0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.361 2.806 0.535 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.897 1.991 1.136 1.00 0.00 H new ATOM 1253 N MET A 81 -2.576 5.962 3.273 1.00 0.00 N ATOM 1254 CA MET A 81 -2.062 7.180 3.908 1.00 0.00 C ATOM 1255 C MET A 81 -3.168 7.975 4.603 1.00 0.00 C ATOM 1256 O MET A 81 -2.917 8.667 5.589 1.00 0.00 O ATOM 1257 CB MET A 81 -1.372 8.070 2.871 1.00 0.00 C ATOM 1258 CG MET A 81 -2.323 8.625 1.823 1.00 0.00 C ATOM 1259 SD MET A 81 -2.369 10.428 1.790 1.00 0.00 S ATOM 1260 CE MET A 81 -0.634 10.798 1.572 1.00 0.00 C ATOM 0 H MET A 81 -2.732 6.046 2.269 1.00 0.00 H new ATOM 0 HA MET A 81 -1.343 6.867 4.665 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.883 8.899 3.383 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.590 7.496 2.374 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.026 8.257 0.841 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.327 8.246 2.015 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.272 11.364 2.430 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.072 9.868 1.487 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.499 11.387 0.665 1.00 0.00 H new ATOM 1270 N THR A 82 -4.386 7.888 4.085 1.00 0.00 N ATOM 1271 CA THR A 82 -5.510 8.614 4.670 1.00 0.00 C ATOM 1272 C THR A 82 -6.813 7.842 4.509 1.00 0.00 C ATOM 1273 O THR A 82 -7.015 7.148 3.516 1.00 0.00 O ATOM 1274 CB THR A 82 -5.646 9.998 4.035 1.00 0.00 C ATOM 1275 OG1 THR A 82 -4.378 10.609 3.889 1.00 0.00 O ATOM 1276 CG2 THR A 82 -6.517 10.936 4.842 1.00 0.00 C ATOM 0 H THR A 82 -4.622 7.327 3.267 1.00 0.00 H new ATOM 0 HA THR A 82 -5.308 8.728 5.735 1.00 0.00 H new ATOM 0 HB THR A 82 -6.115 9.830 3.066 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.935 10.256 3.090 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.575 11.902 4.340 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.518 10.514 4.934 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.087 11.068 5.835 1.00 0.00 H new ATOM 1284 N ALA A 83 -7.697 7.972 5.491 1.00 0.00 N ATOM 1285 CA ALA A 83 -8.981 7.285 5.454 1.00 0.00 C ATOM 1286 C ALA A 83 -10.135 8.272 5.308 1.00 0.00 C ATOM 1287 O ALA A 83 -11.126 8.198 6.032 1.00 0.00 O ATOM 1288 CB ALA A 83 -9.157 6.440 6.708 1.00 0.00 C ATOM 0 H ALA A 83 -7.548 8.546 6.321 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.992 6.632 4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.120 5.930 6.671 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.357 5.701 6.764 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.120 7.082 7.588 1.00 0.00 H new ATOM 1294 N HIS A 84 -10.008 9.199 4.365 1.00 0.00 N ATOM 1295 CA HIS A 84 -11.052 10.190 4.136 1.00 0.00 C ATOM 1296 C HIS A 84 -11.940 9.779 2.964 1.00 0.00 C ATOM 1297 O HIS A 84 -11.785 8.692 2.409 1.00 0.00 O ATOM 1298 CB HIS A 84 -10.430 11.563 3.864 1.00 0.00 C ATOM 1299 CG HIS A 84 -9.372 11.546 2.803 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -8.420 12.536 2.674 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -9.117 10.653 1.817 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -7.629 12.253 1.656 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -8.029 11.117 1.119 1.00 0.00 N ATOM 0 H HIS A 84 -9.198 9.285 3.751 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.668 10.250 5.033 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.217 12.256 3.568 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.998 11.946 4.789 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.667 9.745 1.617 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -6.795 12.851 1.320 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -7.600 10.658 0.316 1.00 0.00 H new ATOM 1312 N SER A 85 -12.869 10.657 2.598 1.00 0.00 N ATOM 1313 CA SER A 85 -13.790 10.402 1.492 1.00 0.00 C ATOM 1314 C SER A 85 -14.827 9.339 1.851 1.00 0.00 C ATOM 1315 O SER A 85 -15.976 9.662 2.149 1.00 0.00 O ATOM 1316 CB SER A 85 -13.023 9.989 0.231 1.00 0.00 C ATOM 1317 OG SER A 85 -12.085 10.983 -0.145 1.00 0.00 O ATOM 0 H SER A 85 -13.005 11.559 3.055 1.00 0.00 H new ATOM 0 HA SER A 85 -14.322 11.333 1.293 1.00 0.00 H new ATOM 0 HB2 SER A 85 -12.506 9.046 0.409 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.725 9.819 -0.586 1.00 0.00 H new ATOM 0 HG SER A 85 -12.044 11.041 -1.122 1.00 0.00 H new ATOM 1323 N ASP A 86 -14.428 8.069 1.809 1.00 0.00 N ATOM 1324 CA ASP A 86 -15.345 6.975 2.120 1.00 0.00 C ATOM 1325 C ASP A 86 -14.667 5.893 2.959 1.00 0.00 C ATOM 1326 O ASP A 86 -14.462 4.772 2.491 1.00 0.00 O ATOM 1327 CB ASP A 86 -15.894 6.364 0.827 1.00 0.00 C ATOM 1328 CG ASP A 86 -16.770 7.332 0.054 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -16.223 8.110 -0.755 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -18.001 7.313 0.259 1.00 0.00 O ATOM 0 H ASP A 86 -13.483 7.774 1.564 1.00 0.00 H new ATOM 0 HA ASP A 86 -16.167 7.388 2.705 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.063 6.048 0.197 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -16.470 5.470 1.067 1.00 0.00 H new ATOM 1335 N LEU A 87 -14.337 6.233 4.203 1.00 0.00 N ATOM 1336 CA LEU A 87 -13.692 5.295 5.125 1.00 0.00 C ATOM 1337 C LEU A 87 -14.367 3.924 5.108 1.00 0.00 C ATOM 1338 O LEU A 87 -13.758 2.915 5.463 1.00 0.00 O ATOM 1339 CB LEU A 87 -13.714 5.864 6.549 1.00 0.00 C ATOM 1340 CG LEU A 87 -12.379 5.814 7.293 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -12.526 6.395 8.691 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -11.855 4.390 7.358 1.00 0.00 C ATOM 0 H LEU A 87 -14.506 7.157 4.600 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.662 5.164 4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.047 6.901 6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.456 5.316 7.130 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.657 6.418 6.744 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.566 6.351 9.206 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.854 7.432 8.621 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.264 5.818 9.249 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.904 4.376 7.891 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.574 3.761 7.882 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.709 4.009 6.347 1.00 0.00 H new ATOM 1354 N ASP A 88 -15.630 3.898 4.710 1.00 0.00 N ATOM 1355 CA ASP A 88 -16.402 2.657 4.661 1.00 0.00 C ATOM 1356 C ASP A 88 -15.646 1.528 3.954 1.00 0.00 C ATOM 1357 O ASP A 88 -15.615 0.400 4.445 1.00 0.00 O ATOM 1358 CB ASP A 88 -17.737 2.900 3.959 1.00 0.00 C ATOM 1359 CG ASP A 88 -18.783 3.472 4.896 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -19.498 2.678 5.540 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -18.883 4.714 4.987 1.00 0.00 O ATOM 0 H ASP A 88 -16.148 4.725 4.414 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.573 2.343 5.691 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -17.587 3.584 3.124 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -18.101 1.962 3.540 1.00 0.00 H new ATOM 1366 N ALA A 89 -15.050 1.824 2.802 1.00 0.00 N ATOM 1367 CA ALA A 89 -14.316 0.810 2.047 1.00 0.00 C ATOM 1368 C ALA A 89 -13.091 0.320 2.809 1.00 0.00 C ATOM 1369 O ALA A 89 -12.563 -0.757 2.529 1.00 0.00 O ATOM 1370 CB ALA A 89 -13.912 1.345 0.681 1.00 0.00 C ATOM 0 H ALA A 89 -15.060 2.749 2.373 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.983 -0.041 1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.367 0.575 0.135 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.805 1.624 0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.275 2.220 0.807 1.00 0.00 H new ATOM 1376 N ALA A 90 -12.640 1.114 3.772 1.00 0.00 N ATOM 1377 CA ALA A 90 -11.476 0.755 4.570 1.00 0.00 C ATOM 1378 C ALA A 90 -11.779 -0.427 5.477 1.00 0.00 C ATOM 1379 O ALA A 90 -10.920 -1.275 5.713 1.00 0.00 O ATOM 1380 CB ALA A 90 -11.014 1.940 5.400 1.00 0.00 C ATOM 0 H ALA A 90 -13.062 2.009 4.019 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.677 0.468 3.886 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.143 1.654 5.990 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.749 2.766 4.740 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.817 2.252 6.067 1.00 0.00 H new ATOM 1386 N VAL A 91 -13.005 -0.475 5.987 1.00 0.00 N ATOM 1387 CA VAL A 91 -13.411 -1.556 6.869 1.00 0.00 C ATOM 1388 C VAL A 91 -13.369 -2.895 6.148 1.00 0.00 C ATOM 1389 O VAL A 91 -12.925 -3.900 6.706 1.00 0.00 O ATOM 1390 CB VAL A 91 -14.821 -1.330 7.443 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -15.078 -2.293 8.592 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -14.988 0.112 7.900 1.00 0.00 C ATOM 0 H VAL A 91 -13.729 0.220 5.804 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.700 -1.568 7.695 1.00 0.00 H new ATOM 0 HB VAL A 91 -15.553 -1.522 6.659 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -16.078 -2.125 8.991 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -14.999 -3.319 8.232 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -14.341 -2.127 9.378 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -15.991 0.252 8.303 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -14.252 0.336 8.672 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -14.840 0.782 7.053 1.00 0.00 H new ATOM 1402 N SER A 92 -13.821 -2.902 4.899 1.00 0.00 N ATOM 1403 CA SER A 92 -13.819 -4.117 4.097 1.00 0.00 C ATOM 1404 C SER A 92 -12.393 -4.599 3.872 1.00 0.00 C ATOM 1405 O SER A 92 -12.123 -5.802 3.835 1.00 0.00 O ATOM 1406 CB SER A 92 -14.506 -3.869 2.755 1.00 0.00 C ATOM 1407 OG SER A 92 -15.904 -3.708 2.917 1.00 0.00 O ATOM 0 H SER A 92 -14.193 -2.081 4.422 1.00 0.00 H new ATOM 0 HA SER A 92 -14.370 -4.888 4.636 1.00 0.00 H new ATOM 0 HB2 SER A 92 -14.086 -2.978 2.288 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.309 -4.704 2.083 1.00 0.00 H new ATOM 0 HG SER A 92 -16.318 -3.549 2.043 1.00 0.00 H new ATOM 1413 N ALA A 93 -11.480 -3.645 3.732 1.00 0.00 N ATOM 1414 CA ALA A 93 -10.075 -3.955 3.520 1.00 0.00 C ATOM 1415 C ALA A 93 -9.529 -4.807 4.652 1.00 0.00 C ATOM 1416 O ALA A 93 -8.756 -5.736 4.431 1.00 0.00 O ATOM 1417 CB ALA A 93 -9.274 -2.674 3.381 1.00 0.00 C ATOM 0 H ALA A 93 -11.691 -2.647 3.762 1.00 0.00 H new ATOM 0 HA ALA A 93 -9.984 -4.528 2.597 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.223 -2.917 3.223 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.646 -2.103 2.531 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.376 -2.081 4.290 1.00 0.00 H new ATOM 1423 N TYR A 94 -9.947 -4.493 5.863 1.00 0.00 N ATOM 1424 CA TYR A 94 -9.510 -5.244 7.034 1.00 0.00 C ATOM 1425 C TYR A 94 -9.987 -6.690 6.946 1.00 0.00 C ATOM 1426 O TYR A 94 -9.440 -7.578 7.598 1.00 0.00 O ATOM 1427 CB TYR A 94 -10.036 -4.602 8.316 1.00 0.00 C ATOM 1428 CG TYR A 94 -9.823 -3.108 8.385 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -8.594 -2.547 8.061 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -10.848 -2.259 8.780 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -8.393 -1.183 8.127 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -10.656 -0.892 8.849 1.00 0.00 C ATOM 1433 CZ TYR A 94 -9.426 -0.359 8.521 1.00 0.00 C ATOM 1434 OH TYR A 94 -9.229 1.002 8.591 1.00 0.00 O ATOM 0 H TYR A 94 -10.587 -3.725 6.066 1.00 0.00 H new ATOM 0 HA TYR A 94 -8.420 -5.230 7.058 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -11.102 -4.812 8.405 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -9.547 -5.069 9.171 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.782 -3.189 7.752 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -11.811 -2.674 9.038 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.431 -0.763 7.871 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -11.464 -0.245 9.158 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.806 1.314 7.764 1.00 0.00 H new ATOM 1444 N GLN A 95 -11.017 -6.913 6.134 1.00 0.00 N ATOM 1445 CA GLN A 95 -11.582 -8.247 5.954 1.00 0.00 C ATOM 1446 C GLN A 95 -10.662 -9.112 5.097 1.00 0.00 C ATOM 1447 O GLN A 95 -10.469 -10.297 5.374 1.00 0.00 O ATOM 1448 CB GLN A 95 -12.989 -8.145 5.334 1.00 0.00 C ATOM 1449 CG GLN A 95 -13.067 -8.467 3.842 1.00 0.00 C ATOM 1450 CD GLN A 95 -14.053 -7.589 3.102 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -13.646 -7.115 1.929 1.00 0.00 O flip ATOM 1452 NE2 GLN A 95 -15.163 -7.339 3.575 1.00 0.00 N flip ATOM 0 H GLN A 95 -11.478 -6.185 5.589 1.00 0.00 H new ATOM 0 HA GLN A 95 -11.671 -8.726 6.929 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -13.655 -8.821 5.871 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.366 -7.134 5.492 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.079 -8.350 3.398 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.351 -9.512 3.715 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -15.431 -7.726 4.480 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -15.814 -6.745 3.062 1.00 0.00 H new ATOM 1461 N GLN A 96 -10.112 -8.513 4.051 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.226 -9.218 3.139 1.00 0.00 C ATOM 1463 C GLN A 96 -7.820 -9.362 3.723 1.00 0.00 C ATOM 1464 O GLN A 96 -7.038 -10.200 3.275 1.00 0.00 O ATOM 1465 CB GLN A 96 -9.165 -8.474 1.805 1.00 0.00 C ATOM 1466 CG GLN A 96 -8.525 -7.101 1.916 1.00 0.00 C ATOM 1467 CD GLN A 96 -7.363 -6.921 0.965 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -7.181 -7.707 0.042 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -6.567 -5.886 1.192 1.00 0.00 N ATOM 0 H GLN A 96 -10.266 -7.533 3.813 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.626 -10.220 2.983 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.604 -9.073 1.087 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.175 -8.366 1.410 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.276 -6.337 1.715 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.180 -6.947 2.938 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.757 -5.258 1.973 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.764 -5.718 0.586 1.00 0.00 H new ATOM 1478 N GLY A 97 -7.505 -8.542 4.725 1.00 0.00 N ATOM 1479 CA GLY A 97 -6.192 -8.602 5.347 1.00 0.00 C ATOM 1480 C GLY A 97 -5.448 -7.280 5.279 1.00 0.00 C ATOM 1481 O GLY A 97 -4.217 -7.257 5.243 1.00 0.00 O ATOM 0 H GLY A 97 -8.133 -7.840 5.116 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.302 -8.898 6.390 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.598 -9.374 4.857 1.00 0.00 H new ATOM 1485 N ALA A 98 -6.189 -6.176 5.264 1.00 0.00 N ATOM 1486 CA ALA A 98 -5.582 -4.853 5.203 1.00 0.00 C ATOM 1487 C ALA A 98 -4.754 -4.579 6.453 1.00 0.00 C ATOM 1488 O ALA A 98 -5.122 -4.992 7.552 1.00 0.00 O ATOM 1489 CB ALA A 98 -6.654 -3.788 5.033 1.00 0.00 C ATOM 0 H ALA A 98 -7.209 -6.172 5.293 1.00 0.00 H new ATOM 0 HA ALA A 98 -4.917 -4.821 4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.186 -2.805 4.989 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.204 -3.970 4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.341 -3.825 5.878 1.00 0.00 H new ATOM 1495 N PHE A 99 -3.630 -3.887 6.282 1.00 0.00 N ATOM 1496 CA PHE A 99 -2.761 -3.575 7.406 1.00 0.00 C ATOM 1497 C PHE A 99 -3.389 -2.524 8.315 1.00 0.00 C ATOM 1498 O PHE A 99 -3.522 -2.737 9.521 1.00 0.00 O ATOM 1499 CB PHE A 99 -1.403 -3.078 6.909 1.00 0.00 C ATOM 1500 CG PHE A 99 -0.379 -2.966 8.001 1.00 0.00 C ATOM 1501 CD1 PHE A 99 -0.136 -4.036 8.848 1.00 0.00 C ATOM 1502 CD2 PHE A 99 0.336 -1.794 8.185 1.00 0.00 C ATOM 1503 CE1 PHE A 99 0.801 -3.939 9.857 1.00 0.00 C ATOM 1504 CE2 PHE A 99 1.275 -1.693 9.193 1.00 0.00 C ATOM 1505 CZ PHE A 99 1.508 -2.765 10.031 1.00 0.00 C ATOM 0 H PHE A 99 -3.304 -3.535 5.382 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.622 -4.491 7.980 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.033 -3.758 6.141 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.530 -2.103 6.438 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.686 -4.956 8.717 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.158 -0.951 7.534 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.981 -4.780 10.510 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.827 -0.774 9.326 1.00 0.00 H new ATOM 0 HZ PHE A 99 2.241 -2.686 10.820 1.00 0.00 H new ATOM 1515 N ASP A 100 -3.778 -1.388 7.732 1.00 0.00 N ATOM 1516 CA ASP A 100 -4.396 -0.299 8.494 1.00 0.00 C ATOM 1517 C ASP A 100 -4.478 0.978 7.661 1.00 0.00 C ATOM 1518 O ASP A 100 -4.317 0.954 6.441 1.00 0.00 O ATOM 1519 CB ASP A 100 -3.607 -0.023 9.782 1.00 0.00 C ATOM 1520 CG ASP A 100 -4.458 -0.160 11.030 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -5.028 -1.250 11.243 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -4.550 0.824 11.795 1.00 0.00 O ATOM 0 H ASP A 100 -3.676 -1.198 6.735 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.407 -0.612 8.754 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -2.766 -0.714 9.843 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -3.191 0.983 9.740 1.00 0.00 H new ATOM 1527 N TYR A 101 -4.728 2.091 8.343 1.00 0.00 N ATOM 1528 CA TYR A 101 -4.831 3.387 7.690 1.00 0.00 C ATOM 1529 C TYR A 101 -3.969 4.414 8.416 1.00 0.00 C ATOM 1530 O TYR A 101 -3.738 4.306 9.621 1.00 0.00 O ATOM 1531 CB TYR A 101 -6.289 3.849 7.663 1.00 0.00 C ATOM 1532 CG TYR A 101 -6.993 3.575 6.354 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -7.462 2.302 6.044 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -7.194 4.592 5.430 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -8.113 2.057 4.849 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -7.842 4.354 4.236 1.00 0.00 C ATOM 1537 CZ TYR A 101 -8.301 3.086 3.950 1.00 0.00 C ATOM 1538 OH TYR A 101 -8.949 2.846 2.760 1.00 0.00 O ATOM 0 H TYR A 101 -4.863 2.119 9.354 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.473 3.291 6.665 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.832 3.353 8.467 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -6.325 4.919 7.867 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -7.316 1.495 6.746 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.837 5.587 5.650 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.473 1.065 4.621 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.989 5.157 3.529 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.375 3.119 2.014 1.00 0.00 H new ATOM 1548 N LEU A 102 -3.486 5.402 7.676 1.00 0.00 N ATOM 1549 CA LEU A 102 -2.640 6.440 8.242 1.00 0.00 C ATOM 1550 C LEU A 102 -3.428 7.734 8.454 1.00 0.00 C ATOM 1551 O LEU A 102 -4.192 8.153 7.587 1.00 0.00 O ATOM 1552 CB LEU A 102 -1.455 6.694 7.308 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.099 6.916 7.979 1.00 0.00 C ATOM 1554 CD1 LEU A 102 0.219 5.816 8.981 1.00 0.00 C ATOM 1555 CD2 LEU A 102 0.987 6.993 6.919 1.00 0.00 C ATOM 0 H LEU A 102 -3.667 5.506 6.678 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.276 6.104 9.213 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.366 5.846 6.630 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.682 7.568 6.697 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.141 7.856 8.529 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.190 6.009 9.437 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.548 5.796 9.755 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.243 4.854 8.470 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.953 7.151 7.399 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.011 6.061 6.354 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.777 7.822 6.243 1.00 0.00 H new ATOM 1567 N PRO A 103 -3.256 8.385 9.620 1.00 0.00 N ATOM 1568 CA PRO A 103 -3.955 9.633 9.933 1.00 0.00 C ATOM 1569 C PRO A 103 -3.303 10.839 9.252 1.00 0.00 C ATOM 1570 O PRO A 103 -2.682 10.699 8.198 1.00 0.00 O ATOM 1571 CB PRO A 103 -3.827 9.715 11.456 1.00 0.00 C ATOM 1572 CG PRO A 103 -2.534 9.042 11.758 1.00 0.00 C ATOM 1573 CD PRO A 103 -2.370 7.959 10.723 1.00 0.00 C ATOM 0 HA PRO A 103 -4.987 9.644 9.581 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -3.826 10.750 11.799 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -4.660 9.216 11.952 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -1.707 9.751 11.714 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -2.540 8.621 12.764 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -1.334 7.875 10.394 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -2.660 6.984 11.115 1.00 0.00 H new ATOM 1581 N LYS A 104 -3.453 12.020 9.850 1.00 0.00 N ATOM 1582 CA LYS A 104 -2.881 13.249 9.296 1.00 0.00 C ATOM 1583 C LYS A 104 -1.450 13.036 8.788 1.00 0.00 C ATOM 1584 O LYS A 104 -1.159 13.299 7.620 1.00 0.00 O ATOM 1585 CB LYS A 104 -2.907 14.362 10.346 1.00 0.00 C ATOM 1586 CG LYS A 104 -4.100 15.294 10.214 1.00 0.00 C ATOM 1587 CD LYS A 104 -3.954 16.516 11.106 1.00 0.00 C ATOM 1588 CE LYS A 104 -2.986 17.528 10.518 1.00 0.00 C ATOM 1589 NZ LYS A 104 -2.292 18.312 11.577 1.00 0.00 N ATOM 0 H LYS A 104 -3.967 12.153 10.721 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.493 13.541 8.443 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.915 13.913 11.339 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.990 14.946 10.268 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.203 15.610 9.176 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -5.012 14.758 10.476 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.929 16.983 11.246 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.604 16.208 12.091 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -2.247 17.011 9.906 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -3.527 18.207 9.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -1.640 18.991 11.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.995 18.826 12.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.755 17.667 12.191 1.00 0.00 H new ATOM 1603 N PRO A 105 -0.535 12.558 9.652 1.00 0.00 N ATOM 1604 CA PRO A 105 0.864 12.317 9.270 1.00 0.00 C ATOM 1605 C PRO A 105 0.984 11.365 8.084 1.00 0.00 C ATOM 1606 O PRO A 105 0.036 10.654 7.750 1.00 0.00 O ATOM 1607 CB PRO A 105 1.494 11.690 10.522 1.00 0.00 C ATOM 1608 CG PRO A 105 0.347 11.263 11.371 1.00 0.00 C ATOM 1609 CD PRO A 105 -0.777 12.210 11.061 1.00 0.00 C ATOM 0 HA PRO A 105 1.355 13.238 8.954 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.126 10.842 10.261 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.125 12.408 11.046 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.061 10.234 11.151 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.609 11.302 12.428 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.751 11.740 11.200 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -0.753 13.090 11.704 1.00 0.00 H new ATOM 1617 N PHE A 106 2.156 11.353 7.456 1.00 0.00 N ATOM 1618 CA PHE A 106 2.402 10.487 6.314 1.00 0.00 C ATOM 1619 C PHE A 106 3.880 10.523 5.909 1.00 0.00 C ATOM 1620 O PHE A 106 4.719 9.930 6.586 1.00 0.00 O ATOM 1621 CB PHE A 106 1.497 10.877 5.137 1.00 0.00 C ATOM 1622 CG PHE A 106 1.742 10.068 3.892 1.00 0.00 C ATOM 1623 CD1 PHE A 106 1.597 8.691 3.904 1.00 0.00 C ATOM 1624 CD2 PHE A 106 2.123 10.685 2.710 1.00 0.00 C ATOM 1625 CE1 PHE A 106 1.823 7.944 2.764 1.00 0.00 C ATOM 1626 CE2 PHE A 106 2.353 9.945 1.567 1.00 0.00 C ATOM 1627 CZ PHE A 106 2.203 8.572 1.594 1.00 0.00 C ATOM 0 H PHE A 106 2.950 11.936 7.722 1.00 0.00 H new ATOM 0 HA PHE A 106 2.161 9.464 6.602 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.456 10.760 5.437 1.00 0.00 H new ATOM 0 HB3 PHE A 106 1.647 11.932 4.909 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.303 8.194 4.817 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.241 11.758 2.683 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.703 6.871 2.788 1.00 0.00 H new ATOM 0 HE2 PHE A 106 2.650 10.439 0.653 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.383 7.991 0.702 1.00 0.00 H new ATOM 1637 N ASP A 107 4.202 11.212 4.810 1.00 0.00 N ATOM 1638 CA ASP A 107 5.580 11.300 4.329 1.00 0.00 C ATOM 1639 C ASP A 107 6.271 9.935 4.388 1.00 0.00 C ATOM 1640 O ASP A 107 5.668 8.937 4.776 1.00 0.00 O ATOM 1641 CB ASP A 107 6.366 12.336 5.135 1.00 0.00 C ATOM 1642 CG ASP A 107 6.560 11.929 6.581 1.00 0.00 C ATOM 1643 OD1 ASP A 107 5.690 12.257 7.414 1.00 0.00 O ATOM 1644 OD2 ASP A 107 7.584 11.283 6.877 1.00 0.00 O ATOM 0 H ASP A 107 3.525 11.717 4.238 1.00 0.00 H new ATOM 0 HA ASP A 107 5.554 11.620 3.287 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.341 12.488 4.671 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.843 13.292 5.098 1.00 0.00 H new ATOM 1649 N ILE A 108 7.536 9.889 3.994 1.00 0.00 N ATOM 1650 CA ILE A 108 8.281 8.638 4.009 1.00 0.00 C ATOM 1651 C ILE A 108 8.528 8.151 5.432 1.00 0.00 C ATOM 1652 O ILE A 108 8.429 6.960 5.719 1.00 0.00 O ATOM 1653 CB ILE A 108 9.608 8.763 3.225 1.00 0.00 C ATOM 1654 CG1 ILE A 108 9.548 7.902 1.966 1.00 0.00 C ATOM 1655 CG2 ILE A 108 10.807 8.360 4.074 1.00 0.00 C ATOM 1656 CD1 ILE A 108 8.391 8.241 1.048 1.00 0.00 C ATOM 0 H ILE A 108 8.064 10.696 3.663 1.00 0.00 H new ATOM 0 HA ILE A 108 7.668 7.890 3.507 1.00 0.00 H new ATOM 0 HB ILE A 108 9.735 9.810 2.949 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.482 8.015 1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.474 6.854 2.257 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.719 8.462 3.487 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.866 9.005 4.950 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.695 7.324 4.393 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.415 7.588 0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.451 8.101 1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.474 9.279 0.726 1.00 0.00 H new ATOM 1668 N ASP A 109 8.857 9.079 6.309 1.00 0.00 N ATOM 1669 CA ASP A 109 9.133 8.752 7.708 1.00 0.00 C ATOM 1670 C ASP A 109 8.019 7.901 8.318 1.00 0.00 C ATOM 1671 O ASP A 109 8.269 6.798 8.794 1.00 0.00 O ATOM 1672 CB ASP A 109 9.322 10.027 8.532 1.00 0.00 C ATOM 1673 CG ASP A 109 9.959 9.757 9.883 1.00 0.00 C ATOM 1674 OD1 ASP A 109 11.205 9.711 9.953 1.00 0.00 O ATOM 1675 OD2 ASP A 109 9.212 9.594 10.870 1.00 0.00 O ATOM 0 H ASP A 109 8.942 10.070 6.084 1.00 0.00 H new ATOM 0 HA ASP A 109 10.055 8.171 7.730 1.00 0.00 H new ATOM 0 HB2 ASP A 109 9.944 10.727 7.974 1.00 0.00 H new ATOM 0 HB3 ASP A 109 8.355 10.507 8.679 1.00 0.00 H new ATOM 1680 N GLU A 110 6.794 8.421 8.310 1.00 0.00 N ATOM 1681 CA GLU A 110 5.661 7.701 8.876 1.00 0.00 C ATOM 1682 C GLU A 110 5.174 6.597 7.944 1.00 0.00 C ATOM 1683 O GLU A 110 4.678 5.565 8.398 1.00 0.00 O ATOM 1684 CB GLU A 110 4.513 8.662 9.204 1.00 0.00 C ATOM 1685 CG GLU A 110 4.907 9.774 10.161 1.00 0.00 C ATOM 1686 CD GLU A 110 5.179 9.264 11.562 1.00 0.00 C ATOM 1687 OE1 GLU A 110 4.217 8.833 12.231 1.00 0.00 O ATOM 1688 OE2 GLU A 110 6.352 9.295 11.987 1.00 0.00 O ATOM 0 H GLU A 110 6.563 9.334 7.919 1.00 0.00 H new ATOM 0 HA GLU A 110 6.003 7.234 9.800 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.144 9.104 8.278 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.689 8.096 9.637 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.796 10.277 9.782 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.111 10.518 10.197 1.00 0.00 H new ATOM 1695 N ALA A 111 5.325 6.809 6.644 1.00 0.00 N ATOM 1696 CA ALA A 111 4.904 5.816 5.663 1.00 0.00 C ATOM 1697 C ALA A 111 5.794 4.584 5.744 1.00 0.00 C ATOM 1698 O ALA A 111 5.329 3.484 6.043 1.00 0.00 O ATOM 1699 CB ALA A 111 4.924 6.402 4.260 1.00 0.00 C ATOM 0 H ALA A 111 5.733 7.654 6.245 1.00 0.00 H new ATOM 0 HA ALA A 111 3.880 5.519 5.890 1.00 0.00 H new ATOM 0 HB1 ALA A 111 4.606 5.644 3.544 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.245 7.253 4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 111 5.935 6.730 4.017 1.00 0.00 H new ATOM 1705 N VAL A 112 7.086 4.780 5.495 1.00 0.00 N ATOM 1706 CA VAL A 112 8.046 3.688 5.564 1.00 0.00 C ATOM 1707 C VAL A 112 8.020 3.051 6.944 1.00 0.00 C ATOM 1708 O VAL A 112 8.265 1.857 7.107 1.00 0.00 O ATOM 1709 CB VAL A 112 9.474 4.164 5.261 1.00 0.00 C ATOM 1710 CG1 VAL A 112 10.439 2.988 5.299 1.00 0.00 C ATOM 1711 CG2 VAL A 112 9.525 4.869 3.914 1.00 0.00 C ATOM 0 H VAL A 112 7.489 5.683 5.245 1.00 0.00 H new ATOM 0 HA VAL A 112 7.757 2.957 4.808 1.00 0.00 H new ATOM 0 HB VAL A 112 9.777 4.879 6.026 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.448 3.338 5.083 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.418 2.532 6.289 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.143 2.250 4.553 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.544 5.200 3.715 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.207 4.181 3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.860 5.732 3.930 1.00 0.00 H new ATOM 1721 N ALA A 113 7.709 3.862 7.934 1.00 0.00 N ATOM 1722 CA ALA A 113 7.629 3.389 9.302 1.00 0.00 C ATOM 1723 C ALA A 113 6.514 2.368 9.439 1.00 0.00 C ATOM 1724 O ALA A 113 6.687 1.313 10.049 1.00 0.00 O ATOM 1725 CB ALA A 113 7.372 4.556 10.232 1.00 0.00 C ATOM 0 H ALA A 113 7.507 4.855 7.817 1.00 0.00 H new ATOM 0 HA ALA A 113 8.574 2.916 9.568 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.313 4.196 11.259 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.186 5.276 10.146 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.432 5.037 9.961 1.00 0.00 H new ATOM 1731 N LEU A 114 5.363 2.706 8.872 1.00 0.00 N ATOM 1732 CA LEU A 114 4.196 1.843 8.928 1.00 0.00 C ATOM 1733 C LEU A 114 4.322 0.648 7.992 1.00 0.00 C ATOM 1734 O LEU A 114 3.663 -0.371 8.191 1.00 0.00 O ATOM 1735 CB LEU A 114 2.931 2.630 8.589 1.00 0.00 C ATOM 1736 CG LEU A 114 1.631 1.835 8.722 1.00 0.00 C ATOM 1737 CD1 LEU A 114 1.333 1.539 10.184 1.00 0.00 C ATOM 1738 CD2 LEU A 114 0.475 2.587 8.085 1.00 0.00 C ATOM 0 H LEU A 114 5.215 3.579 8.365 1.00 0.00 H new ATOM 0 HA LEU A 114 4.128 1.465 9.948 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.876 3.502 9.240 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.012 3.000 7.567 1.00 0.00 H new ATOM 0 HG LEU A 114 1.755 0.888 8.197 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.405 0.973 10.259 1.00 0.00 H new ATOM 0 HD12 LEU A 114 2.149 0.956 10.611 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.232 2.476 10.732 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.440 2.004 8.190 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.351 3.550 8.580 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.684 2.747 7.027 1.00 0.00 H new ATOM 1750 N VAL A 115 5.157 0.769 6.967 1.00 0.00 N ATOM 1751 CA VAL A 115 5.329 -0.326 6.022 1.00 0.00 C ATOM 1752 C VAL A 115 6.257 -1.404 6.573 1.00 0.00 C ATOM 1753 O VAL A 115 5.958 -2.594 6.491 1.00 0.00 O ATOM 1754 CB VAL A 115 5.835 0.152 4.643 1.00 0.00 C ATOM 1755 CG1 VAL A 115 7.320 0.473 4.677 1.00 0.00 C ATOM 1756 CG2 VAL A 115 5.533 -0.895 3.582 1.00 0.00 C ATOM 0 H VAL A 115 5.716 1.599 6.771 1.00 0.00 H new ATOM 0 HA VAL A 115 4.337 -0.756 5.880 1.00 0.00 H new ATOM 0 HB VAL A 115 5.308 1.072 4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.643 0.806 3.691 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.505 1.263 5.405 1.00 0.00 H new ATOM 0 HG13 VAL A 115 7.879 -0.419 4.959 1.00 0.00 H new ATOM 0 HG21 VAL A 115 5.894 -0.547 2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.031 -1.829 3.841 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.457 -1.060 3.530 1.00 0.00 H new ATOM 1766 N GLU A 116 7.387 -0.980 7.129 1.00 0.00 N ATOM 1767 CA GLU A 116 8.359 -1.910 7.689 1.00 0.00 C ATOM 1768 C GLU A 116 7.768 -2.670 8.874 1.00 0.00 C ATOM 1769 O GLU A 116 7.920 -3.887 8.975 1.00 0.00 O ATOM 1770 CB GLU A 116 9.623 -1.163 8.119 1.00 0.00 C ATOM 1771 CG GLU A 116 10.363 -0.513 6.960 1.00 0.00 C ATOM 1772 CD GLU A 116 11.862 -0.468 7.174 1.00 0.00 C ATOM 1773 OE1 GLU A 116 12.409 -1.425 7.762 1.00 0.00 O ATOM 1774 OE2 GLU A 116 12.492 0.525 6.751 1.00 0.00 O ATOM 0 H GLU A 116 7.652 0.002 7.204 1.00 0.00 H new ATOM 0 HA GLU A 116 8.621 -2.632 6.916 1.00 0.00 H new ATOM 0 HB2 GLU A 116 9.354 -0.396 8.845 1.00 0.00 H new ATOM 0 HB3 GLU A 116 10.293 -1.858 8.624 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.147 -1.062 6.043 1.00 0.00 H new ATOM 0 HG3 GLU A 116 9.990 0.501 6.819 1.00 0.00 H new ATOM 1781 N ARG A 117 7.090 -1.950 9.766 1.00 0.00 N ATOM 1782 CA ARG A 117 6.476 -2.572 10.937 1.00 0.00 C ATOM 1783 C ARG A 117 5.470 -3.636 10.519 1.00 0.00 C ATOM 1784 O ARG A 117 5.213 -4.588 11.255 1.00 0.00 O ATOM 1785 CB ARG A 117 5.794 -1.522 11.816 1.00 0.00 C ATOM 1786 CG ARG A 117 4.637 -0.808 11.132 1.00 0.00 C ATOM 1787 CD ARG A 117 3.471 -0.587 12.086 1.00 0.00 C ATOM 1788 NE ARG A 117 3.342 0.815 12.474 1.00 0.00 N ATOM 1789 CZ ARG A 117 3.248 1.236 13.733 1.00 0.00 C ATOM 1790 NH1 ARG A 117 3.270 0.372 14.743 1.00 0.00 N ATOM 1791 NH2 ARG A 117 3.120 2.532 13.980 1.00 0.00 N ATOM 0 H ARG A 117 6.953 -0.941 9.701 1.00 0.00 H new ATOM 0 HA ARG A 117 7.268 -3.049 11.515 1.00 0.00 H new ATOM 0 HB2 ARG A 117 5.427 -2.003 12.723 1.00 0.00 H new ATOM 0 HB3 ARG A 117 6.534 -0.783 12.124 1.00 0.00 H new ATOM 0 HG2 ARG A 117 4.979 0.152 10.746 1.00 0.00 H new ATOM 0 HG3 ARG A 117 4.302 -1.394 10.277 1.00 0.00 H new ATOM 0 HD2 ARG A 117 2.547 -0.919 11.613 1.00 0.00 H new ATOM 0 HD3 ARG A 117 3.610 -1.199 12.977 1.00 0.00 H new ATOM 0 HE ARG A 117 3.323 1.516 11.733 1.00 0.00 H new ATOM 0 HH11 ARG A 117 3.360 -0.627 14.558 1.00 0.00 H new ATOM 0 HH12 ARG A 117 3.197 0.708 15.703 1.00 0.00 H new ATOM 0 HH21 ARG A 117 3.094 3.198 13.208 1.00 0.00 H new ATOM 0 HH22 ARG A 117 3.047 2.863 14.942 1.00 0.00 H new ATOM 1805 N ALA A 118 4.904 -3.468 9.333 1.00 0.00 N ATOM 1806 CA ALA A 118 3.927 -4.411 8.813 1.00 0.00 C ATOM 1807 C ALA A 118 4.585 -5.750 8.504 1.00 0.00 C ATOM 1808 O ALA A 118 4.082 -6.806 8.889 1.00 0.00 O ATOM 1809 CB ALA A 118 3.252 -3.846 7.574 1.00 0.00 C ATOM 0 H ALA A 118 5.106 -2.685 8.712 1.00 0.00 H new ATOM 0 HA ALA A 118 3.165 -4.574 9.575 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.524 -4.564 7.197 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.746 -2.915 7.828 1.00 0.00 H new ATOM 0 HB3 ALA A 118 4.002 -3.653 6.807 1.00 0.00 H new ATOM 1815 N ILE A 119 5.716 -5.697 7.812 1.00 0.00 N ATOM 1816 CA ILE A 119 6.451 -6.898 7.454 1.00 0.00 C ATOM 1817 C ILE A 119 7.167 -7.476 8.667 1.00 0.00 C ATOM 1818 O ILE A 119 7.355 -8.687 8.778 1.00 0.00 O ATOM 1819 CB ILE A 119 7.487 -6.604 6.354 1.00 0.00 C ATOM 1820 CG1 ILE A 119 6.851 -5.813 5.213 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.097 -7.889 5.827 1.00 0.00 C ATOM 1822 CD1 ILE A 119 7.779 -4.775 4.635 1.00 0.00 C ATOM 0 H ILE A 119 6.144 -4.830 7.487 1.00 0.00 H new ATOM 0 HA ILE A 119 5.727 -7.623 7.081 1.00 0.00 H new ATOM 0 HB ILE A 119 8.282 -6.002 6.794 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.547 -6.502 4.425 1.00 0.00 H new ATOM 0 HG13 ILE A 119 5.947 -5.324 5.575 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.826 -7.654 5.051 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.592 -8.418 6.642 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.312 -8.520 5.409 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.274 -4.244 3.828 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.063 -4.067 5.413 1.00 0.00 H new ATOM 0 HD13 ILE A 119 8.672 -5.263 4.245 1.00 0.00 H new ATOM 1834 N SER A 120 7.563 -6.591 9.572 1.00 0.00 N ATOM 1835 CA SER A 120 8.264 -6.988 10.786 1.00 0.00 C ATOM 1836 C SER A 120 7.332 -7.737 11.735 1.00 0.00 C ATOM 1837 O SER A 120 7.717 -8.740 12.337 1.00 0.00 O ATOM 1838 CB SER A 120 8.847 -5.759 11.488 1.00 0.00 C ATOM 1839 OG SER A 120 9.887 -6.118 12.386 1.00 0.00 O ATOM 0 H SER A 120 7.409 -5.586 9.487 1.00 0.00 H new ATOM 0 HA SER A 120 9.077 -7.657 10.503 1.00 0.00 H new ATOM 0 HB2 SER A 120 9.232 -5.062 10.744 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.058 -5.241 12.032 1.00 0.00 H new ATOM 0 HG SER A 120 10.240 -5.312 12.817 1.00 0.00 H new ATOM 1845 N HIS A 121 6.105 -7.242 11.865 1.00 0.00 N ATOM 1846 CA HIS A 121 5.120 -7.867 12.741 1.00 0.00 C ATOM 1847 C HIS A 121 4.738 -9.252 12.232 1.00 0.00 C ATOM 1848 O HIS A 121 4.269 -10.100 12.991 1.00 0.00 O ATOM 1849 CB HIS A 121 3.873 -6.988 12.851 1.00 0.00 C ATOM 1850 CG HIS A 121 3.910 -6.031 14.002 1.00 0.00 C ATOM 1851 ND1 HIS A 121 5.011 -5.256 14.306 1.00 0.00 N ATOM 1852 CD2 HIS A 121 2.971 -5.723 14.926 1.00 0.00 C ATOM 1853 CE1 HIS A 121 4.746 -4.515 15.367 1.00 0.00 C ATOM 1854 NE2 HIS A 121 3.513 -4.779 15.761 1.00 0.00 N ATOM 0 H HIS A 121 5.770 -6.412 11.376 1.00 0.00 H new ATOM 0 HA HIS A 121 5.568 -7.975 13.729 1.00 0.00 H new ATOM 0 HB2 HIS A 121 3.754 -6.425 11.925 1.00 0.00 H new ATOM 0 HB3 HIS A 121 2.996 -7.628 12.950 1.00 0.00 H new ATOM 0 HD2 HIS A 121 1.978 -6.143 14.994 1.00 0.00 H new ATOM 0 HE1 HIS A 121 5.422 -3.813 15.833 1.00 0.00 H new ATOM 0 HE2 HIS A 121 3.041 -4.350 16.557 1.00 0.00 H new