USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 698 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 55 HIS : no HE2:sc= -1.69 K(o=-1.9,f=-3.1!) USER MOD Set 1.2: A 99 MET CE :methyl -133:sc= -0.198 (180deg=0) USER MOD Set 2.1: A 61 ASN : amide:sc= 0.815 K(o=-2,f=-3.9) USER MOD Set 2.2: A 64 GLN : amide:sc= -2.77! C(o=-2!,f=-4.2!) USER MOD Set 3.1: A 37 THR OG1 : rot -154:sc= 0.619 USER MOD Set 3.2: A 85 GLN :FLIP amide:sc= -0.401 F(o=-1.7,f=0.22) USER MOD Set 4.1: A 31 HIS :FLIP no HD1:sc= -0.312 F(o=-1.1,f=-0.31) USER MOD Set 4.2: A 35 HIS :FLIP no HD1:sc=-0.000636 F(o=-0.88,f=-0.31) USER MOD Set 5.1: A 30 ASN : amide:sc= 0 X(o=-0.16,f=-0.19) USER MOD Set 5.2: A 34 MET CE :methyl 154:sc= -0.157 (180deg=-0.559) USER MOD Single : A 4 THR OG1 : rot 160:sc= 0.962 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.218 K(o=-0.22,f=-7.3!) USER MOD Single : A 28 GLN : amide:sc= -1.62 K(o=-1.6,f=-4.5!) USER MOD Single : A 33 GLN : amide:sc= -0.227 K(o=-0.23,f=-4!) USER MOD Single : A 38 SER OG : rot -92:sc= 0.511 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.0192 X(o=-0.019,f=0.26) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= -4.19! C(o=-4.2!,f=-7.3!) USER MOD Single : A 76 LYS NZ :NH3+ -168:sc= -0.0117 (180deg=-0.175) USER MOD Single : A 77 GLN : amide:sc= -1.83! C(o=-1.8!,f=-4!) USER MOD Single : A 81 GLN : amide:sc= -3.16! C(o=-3.2!,f=-6.7!) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 88 GLN : amide:sc= -1.17! X(o=-1.2!,f=-0.71) USER MOD Single : A 90 GLN : amide:sc= -0.013 X(o=-0.013,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.902 X(o=-0.9,f=-0.95) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 95 GLN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 101 LYS NZ :NH3+ 167:sc= 1.22 (180deg=1.09) USER MOD Single : A 102 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0116) USER MOD Single : A 104 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 105 MET CE :methyl 164:sc= -0.101 (180deg=-0.466) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N CYS A 3 -8.476 -8.063 5.093 1.00 0.00 N ATOM 35 CA CYS A 3 -8.013 -8.331 6.417 1.00 0.00 C ATOM 36 C CYS A 3 -6.874 -9.337 6.392 1.00 0.00 C ATOM 37 O CYS A 3 -6.768 -10.158 5.468 1.00 0.00 O ATOM 38 CB CYS A 3 -9.172 -8.808 7.294 1.00 0.00 C ATOM 39 SG CYS A 3 -10.616 -7.665 7.328 1.00 0.00 S ATOM 0 HA CYS A 3 -7.623 -7.410 6.851 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -9.504 -9.784 6.939 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -8.809 -8.946 8.312 1.00 0.00 H new ATOM 44 N THR A 4 -6.004 -9.233 7.360 1.00 0.00 N ATOM 45 CA THR A 4 -4.861 -10.089 7.480 1.00 0.00 C ATOM 46 C THR A 4 -5.240 -11.409 8.152 1.00 0.00 C ATOM 47 O THR A 4 -6.330 -11.532 8.753 1.00 0.00 O ATOM 48 CB THR A 4 -3.791 -9.392 8.340 1.00 0.00 C ATOM 49 OG1 THR A 4 -4.336 -9.094 9.644 1.00 0.00 O ATOM 50 CG2 THR A 4 -3.331 -8.095 7.694 1.00 0.00 C ATOM 0 H THR A 4 -6.074 -8.536 8.101 1.00 0.00 H new ATOM 0 HA THR A 4 -4.478 -10.293 6.480 1.00 0.00 H new ATOM 0 HB THR A 4 -2.938 -10.064 8.429 1.00 0.00 H new ATOM 0 HG1 THR A 4 -3.604 -8.956 10.281 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.575 -7.624 8.322 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.906 -8.308 6.713 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.181 -7.422 7.583 1.00 0.00 H new ATOM 58 N LYS A 5 -4.356 -12.383 8.066 1.00 0.00 N ATOM 59 CA LYS A 5 -4.546 -13.641 8.740 1.00 0.00 C ATOM 60 C LYS A 5 -3.919 -13.557 10.116 1.00 0.00 C ATOM 61 O LYS A 5 -2.785 -14.010 10.335 1.00 0.00 O ATOM 62 CB LYS A 5 -3.968 -14.852 7.964 1.00 0.00 C ATOM 63 CG LYS A 5 -4.702 -15.264 6.682 1.00 0.00 C ATOM 64 CD LYS A 5 -4.599 -14.238 5.568 1.00 0.00 C ATOM 65 CE LYS A 5 -5.274 -14.746 4.313 1.00 0.00 C ATOM 66 NZ LYS A 5 -5.198 -13.773 3.213 1.00 0.00 N ATOM 0 H LYS A 5 -3.491 -12.320 7.528 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.620 -13.814 8.810 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.933 -14.628 7.706 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.950 -15.710 8.636 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.297 -16.213 6.330 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.754 -15.433 6.913 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.062 -13.303 5.883 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.551 -14.021 5.362 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.806 -15.681 4.003 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.319 -14.969 4.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.672 -14.161 2.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.667 -12.889 3.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.201 -13.579 2.989 1.00 0.00 H new ATOM 80 N SER A 6 -4.609 -12.896 11.000 1.00 0.00 N ATOM 81 CA SER A 6 -4.175 -12.721 12.354 1.00 0.00 C ATOM 82 C SER A 6 -5.406 -12.548 13.219 1.00 0.00 C ATOM 83 O SER A 6 -6.499 -12.327 12.693 1.00 0.00 O ATOM 84 CB SER A 6 -3.273 -11.480 12.456 1.00 0.00 C ATOM 85 OG SER A 6 -2.673 -11.355 13.742 1.00 0.00 O ATOM 0 H SER A 6 -5.506 -12.456 10.795 1.00 0.00 H new ATOM 0 HA SER A 6 -3.602 -13.586 12.687 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.493 -11.537 11.697 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.861 -10.587 12.243 1.00 0.00 H new ATOM 0 HG SER A 6 -2.107 -10.555 13.763 1.00 0.00 H new ATOM 91 N ILE A 7 -5.247 -12.697 14.506 1.00 0.00 N ATOM 92 CA ILE A 7 -6.318 -12.494 15.459 1.00 0.00 C ATOM 93 C ILE A 7 -5.821 -11.540 16.551 1.00 0.00 C ATOM 94 O ILE A 7 -4.859 -11.862 17.257 1.00 0.00 O ATOM 95 CB ILE A 7 -6.798 -13.839 16.099 1.00 0.00 C ATOM 96 CG1 ILE A 7 -7.362 -14.797 15.029 1.00 0.00 C ATOM 97 CG2 ILE A 7 -7.837 -13.590 17.191 1.00 0.00 C ATOM 98 CD1 ILE A 7 -8.625 -14.307 14.344 1.00 0.00 C ATOM 0 H ILE A 7 -4.361 -12.966 14.933 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.174 -12.068 14.936 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.928 -14.312 16.555 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.596 -14.966 14.272 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.568 -15.761 15.495 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.152 -14.542 17.617 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.401 -12.969 17.973 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -8.700 -13.081 16.762 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -8.949 -15.043 13.608 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -9.410 -14.166 15.087 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.424 -13.359 13.844 1.00 0.00 H new ATOM 110 N PRO A 8 -6.415 -10.336 16.684 1.00 0.00 N ATOM 111 CA PRO A 8 -7.506 -9.861 15.821 1.00 0.00 C ATOM 112 C PRO A 8 -6.996 -9.475 14.418 1.00 0.00 C ATOM 113 O PRO A 8 -5.846 -9.027 14.267 1.00 0.00 O ATOM 114 CB PRO A 8 -8.030 -8.627 16.566 1.00 0.00 C ATOM 115 CG PRO A 8 -6.859 -8.125 17.329 1.00 0.00 C ATOM 116 CD PRO A 8 -6.056 -9.337 17.708 1.00 0.00 C ATOM 0 HA PRO A 8 -8.267 -10.623 15.651 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.403 -7.874 15.872 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.855 -8.885 17.230 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.266 -7.438 16.725 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.178 -7.576 18.215 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.987 -9.125 17.702 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.307 -9.685 18.710 1.00 0.00 H new ATOM 124 N PRO A 9 -7.820 -9.674 13.383 1.00 0.00 N ATOM 125 CA PRO A 9 -7.433 -9.398 12.005 1.00 0.00 C ATOM 126 C PRO A 9 -7.273 -7.910 11.752 1.00 0.00 C ATOM 127 O PRO A 9 -8.063 -7.087 12.256 1.00 0.00 O ATOM 128 CB PRO A 9 -8.601 -9.947 11.185 1.00 0.00 C ATOM 129 CG PRO A 9 -9.756 -9.878 12.110 1.00 0.00 C ATOM 130 CD PRO A 9 -9.199 -10.181 13.467 1.00 0.00 C ATOM 0 HA PRO A 9 -6.472 -9.847 11.753 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.773 -9.352 10.288 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.413 -10.970 10.858 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.219 -8.892 12.087 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.526 -10.598 11.832 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.764 -9.683 14.255 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.223 -11.249 13.683 1.00 0.00 H new ATOM 138 N ILE A 10 -6.275 -7.565 10.999 1.00 0.00 N ATOM 139 CA ILE A 10 -6.013 -6.195 10.672 1.00 0.00 C ATOM 140 C ILE A 10 -6.664 -5.943 9.343 1.00 0.00 C ATOM 141 O ILE A 10 -6.324 -6.594 8.360 1.00 0.00 O ATOM 142 CB ILE A 10 -4.490 -5.924 10.547 1.00 0.00 C ATOM 143 CG1 ILE A 10 -3.731 -6.412 11.800 1.00 0.00 C ATOM 144 CG2 ILE A 10 -4.223 -4.440 10.297 1.00 0.00 C ATOM 145 CD1 ILE A 10 -4.151 -5.753 13.092 1.00 0.00 C ATOM 0 H ILE A 10 -5.615 -8.228 10.591 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.400 -5.543 11.455 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.120 -6.488 9.691 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.871 -7.489 11.896 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.665 -6.241 11.651 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.149 -4.273 10.213 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.712 -4.133 9.372 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.617 -3.854 11.127 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.564 -6.159 13.915 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.984 -4.678 13.023 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.209 -5.945 13.271 1.00 0.00 H new ATOM 157 N CYS A 11 -7.610 -5.076 9.314 1.00 0.00 N ATOM 158 CA CYS A 11 -8.311 -4.807 8.105 1.00 0.00 C ATOM 159 C CYS A 11 -7.878 -3.488 7.514 1.00 0.00 C ATOM 160 O CYS A 11 -7.762 -2.470 8.216 1.00 0.00 O ATOM 161 CB CYS A 11 -9.812 -4.887 8.333 1.00 0.00 C ATOM 162 SG CYS A 11 -10.346 -6.517 8.985 1.00 0.00 S ATOM 0 H CYS A 11 -7.921 -4.534 10.120 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.060 -5.572 7.370 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -10.111 -4.106 9.032 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -10.329 -4.689 7.394 1.00 0.00 H new ATOM 310 N CYS A 22 2.748 -8.972 -2.361 1.00 0.00 N ATOM 311 CA CYS A 22 4.009 -9.011 -1.720 1.00 0.00 C ATOM 312 C CYS A 22 3.925 -8.344 -0.372 1.00 0.00 C ATOM 313 O CYS A 22 3.246 -7.321 -0.217 1.00 0.00 O ATOM 314 CB CYS A 22 5.018 -8.298 -2.582 1.00 0.00 C ATOM 315 SG CYS A 22 5.471 -9.159 -4.114 1.00 0.00 S ATOM 0 HA CYS A 22 4.313 -10.048 -1.577 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.622 -7.316 -2.840 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.922 -8.134 -1.995 1.00 0.00 H new ATOM 320 N GLN A 23 4.560 -8.927 0.604 1.00 0.00 N ATOM 321 CA GLN A 23 4.631 -8.314 1.886 1.00 0.00 C ATOM 322 C GLN A 23 5.993 -7.673 2.057 1.00 0.00 C ATOM 323 O GLN A 23 7.029 -8.346 2.226 1.00 0.00 O ATOM 324 CB GLN A 23 4.286 -9.275 3.017 1.00 0.00 C ATOM 325 CG GLN A 23 5.129 -10.529 3.065 1.00 0.00 C ATOM 326 CD GLN A 23 4.846 -11.431 4.263 1.00 0.00 C ATOM 327 OE1 GLN A 23 4.482 -10.858 5.385 1.00 0.00 O flip ATOM 328 NE2 GLN A 23 4.983 -12.651 4.177 1.00 0.00 N flip ATOM 0 H GLN A 23 5.034 -9.827 0.530 1.00 0.00 H new ATOM 0 HA GLN A 23 3.871 -7.535 1.942 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.389 -8.749 3.966 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.239 -9.562 2.924 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.965 -11.098 2.150 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.181 -10.245 3.080 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.267 -13.071 3.292 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.812 -13.242 4.991 1.00 0.00 H new ATOM 337 N ILE A 24 5.998 -6.404 1.915 1.00 0.00 N ATOM 338 CA ILE A 24 7.195 -5.620 1.999 1.00 0.00 C ATOM 339 C ILE A 24 7.206 -4.972 3.358 1.00 0.00 C ATOM 340 O ILE A 24 6.151 -4.614 3.872 1.00 0.00 O ATOM 341 CB ILE A 24 7.274 -4.491 0.895 1.00 0.00 C ATOM 342 CG1 ILE A 24 7.051 -5.017 -0.527 1.00 0.00 C ATOM 343 CG2 ILE A 24 8.598 -3.758 0.940 1.00 0.00 C ATOM 344 CD1 ILE A 24 5.636 -5.337 -0.876 1.00 0.00 C ATOM 0 H ILE A 24 5.157 -5.856 1.732 1.00 0.00 H new ATOM 0 HA ILE A 24 8.050 -6.277 1.839 1.00 0.00 H new ATOM 0 HB ILE A 24 6.461 -3.805 1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.423 -4.275 -1.233 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.653 -5.915 -0.663 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.615 -2.990 0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.723 -3.292 1.917 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.411 -4.464 0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.588 -5.701 -1.902 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.259 -6.105 -0.201 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.026 -4.439 -0.780 1.00 0.00 H new ATOM 356 N ARG A 25 8.362 -4.841 3.937 1.00 0.00 N ATOM 357 CA ARG A 25 8.492 -4.236 5.227 1.00 0.00 C ATOM 358 C ARG A 25 8.225 -2.730 5.149 1.00 0.00 C ATOM 359 O ARG A 25 8.970 -1.986 4.524 1.00 0.00 O ATOM 360 CB ARG A 25 9.866 -4.562 5.850 1.00 0.00 C ATOM 361 CG ARG A 25 11.083 -4.036 5.105 1.00 0.00 C ATOM 362 CD ARG A 25 12.356 -4.483 5.787 1.00 0.00 C ATOM 363 NE ARG A 25 13.556 -3.918 5.161 1.00 0.00 N ATOM 364 CZ ARG A 25 14.492 -3.187 5.808 1.00 0.00 C ATOM 365 NH1 ARG A 25 14.385 -2.960 7.121 1.00 0.00 N ATOM 366 NH2 ARG A 25 15.546 -2.715 5.145 1.00 0.00 N ATOM 0 H ARG A 25 9.243 -5.151 3.527 1.00 0.00 H new ATOM 0 HA ARG A 25 7.737 -4.658 5.890 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.886 -4.162 6.864 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.956 -5.645 5.932 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.070 -4.395 4.076 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.049 -2.947 5.064 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.325 -4.189 6.836 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.415 -5.571 5.762 1.00 0.00 H new ATOM 0 HE ARG A 25 13.695 -4.089 4.165 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.594 -3.339 7.641 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.095 -2.408 7.603 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.648 -2.905 4.148 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.251 -2.164 5.634 1.00 0.00 H new ATOM 380 N ILE A 26 7.167 -2.287 5.802 1.00 0.00 N ATOM 381 CA ILE A 26 6.746 -0.874 5.776 1.00 0.00 C ATOM 382 C ILE A 26 7.747 0.050 6.437 1.00 0.00 C ATOM 383 O ILE A 26 7.674 1.269 6.308 1.00 0.00 O ATOM 384 CB ILE A 26 5.308 -0.658 6.351 1.00 0.00 C ATOM 385 CG1 ILE A 26 5.108 -1.214 7.797 1.00 0.00 C ATOM 386 CG2 ILE A 26 4.293 -1.251 5.417 1.00 0.00 C ATOM 387 CD1 ILE A 26 5.747 -0.407 8.916 1.00 0.00 C ATOM 0 H ILE A 26 6.567 -2.886 6.369 1.00 0.00 H new ATOM 0 HA ILE A 26 6.711 -0.604 4.720 1.00 0.00 H new ATOM 0 HB ILE A 26 5.168 0.420 6.429 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.038 -1.285 7.993 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.507 -2.228 7.833 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.293 -1.098 5.822 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.368 -0.767 4.443 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.480 -2.319 5.307 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.543 -0.887 9.873 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.824 -0.356 8.758 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.333 0.601 8.920 1.00 0.00 H new ATOM 399 N GLN A 27 8.693 -0.542 7.111 1.00 0.00 N ATOM 400 CA GLN A 27 9.707 0.188 7.800 1.00 0.00 C ATOM 401 C GLN A 27 10.753 0.679 6.819 1.00 0.00 C ATOM 402 O GLN A 27 11.445 1.646 7.083 1.00 0.00 O ATOM 403 CB GLN A 27 10.334 -0.682 8.880 1.00 0.00 C ATOM 404 CG GLN A 27 10.957 -1.957 8.346 1.00 0.00 C ATOM 405 CD GLN A 27 11.561 -2.852 9.408 1.00 0.00 C ATOM 406 OE1 GLN A 27 12.518 -3.582 9.134 1.00 0.00 O ATOM 407 NE2 GLN A 27 11.026 -2.830 10.600 1.00 0.00 N ATOM 0 H GLN A 27 8.778 -1.555 7.195 1.00 0.00 H new ATOM 0 HA GLN A 27 9.259 1.057 8.281 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.098 -0.105 9.402 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.572 -0.940 9.615 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.196 -2.519 7.804 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.732 -1.694 7.626 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.236 -2.215 10.793 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.399 -3.428 11.337 1.00 0.00 H new ATOM 416 N GLN A 28 10.833 0.044 5.652 1.00 0.00 N ATOM 417 CA GLN A 28 11.810 0.467 4.679 1.00 0.00 C ATOM 418 C GLN A 28 11.256 1.660 3.914 1.00 0.00 C ATOM 419 O GLN A 28 12.001 2.524 3.452 1.00 0.00 O ATOM 420 CB GLN A 28 12.202 -0.651 3.707 1.00 0.00 C ATOM 421 CG GLN A 28 11.154 -0.980 2.663 1.00 0.00 C ATOM 422 CD GLN A 28 11.724 -1.498 1.365 1.00 0.00 C ATOM 423 OE1 GLN A 28 11.135 -1.317 0.321 1.00 0.00 O ATOM 424 NE2 GLN A 28 12.877 -2.100 1.409 1.00 0.00 N ATOM 0 H GLN A 28 10.247 -0.742 5.371 1.00 0.00 H new ATOM 0 HA GLN A 28 12.719 0.743 5.214 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.124 -0.366 3.200 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.419 -1.552 4.280 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.470 -1.725 3.071 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.566 -0.085 2.459 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.347 -2.237 2.304 1.00 0.00 H new ATOM 0 HE22 GLN A 28 13.311 -2.435 0.549 1.00 0.00 H new ATOM 433 N LEU A 29 9.927 1.731 3.846 1.00 0.00 N ATOM 434 CA LEU A 29 9.252 2.798 3.127 1.00 0.00 C ATOM 435 C LEU A 29 9.058 3.990 3.994 1.00 0.00 C ATOM 436 O LEU A 29 8.556 5.012 3.534 1.00 0.00 O ATOM 437 CB LEU A 29 7.892 2.386 2.561 1.00 0.00 C ATOM 438 CG LEU A 29 7.859 1.320 1.480 1.00 0.00 C ATOM 439 CD1 LEU A 29 8.980 1.521 0.475 1.00 0.00 C ATOM 440 CD2 LEU A 29 7.825 -0.072 2.070 1.00 0.00 C ATOM 0 H LEU A 29 9.299 1.057 4.284 1.00 0.00 H new ATOM 0 HA LEU A 29 9.908 3.037 2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.277 2.038 3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.412 3.280 2.162 1.00 0.00 H new ATOM 0 HG LEU A 29 6.928 1.429 0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.930 0.743 -0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.874 2.498 0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.941 1.467 0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.802 -0.808 1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.714 -0.230 2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.935 -0.183 2.689 1.00 0.00 H new ATOM 452 N ASN A 30 9.486 3.866 5.239 1.00 0.00 N ATOM 453 CA ASN A 30 9.386 4.929 6.235 1.00 0.00 C ATOM 454 C ASN A 30 9.964 6.240 5.719 1.00 0.00 C ATOM 455 O ASN A 30 9.442 7.303 6.021 1.00 0.00 O ATOM 456 CB ASN A 30 10.070 4.491 7.547 1.00 0.00 C ATOM 457 CG ASN A 30 10.165 5.584 8.606 1.00 0.00 C ATOM 458 OD1 ASN A 30 9.229 5.803 9.380 1.00 0.00 O ATOM 459 ND2 ASN A 30 11.314 6.221 8.704 1.00 0.00 N ATOM 0 H ASN A 30 9.919 3.014 5.595 1.00 0.00 H new ATOM 0 HA ASN A 30 8.330 5.108 6.437 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.522 3.646 7.963 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.075 4.137 7.317 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.450 6.919 9.436 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.068 6.017 8.048 1.00 0.00 H new ATOM 466 N HIS A 31 10.995 6.153 4.875 1.00 0.00 N ATOM 467 CA HIS A 31 11.621 7.354 4.337 1.00 0.00 C ATOM 468 C HIS A 31 10.663 8.021 3.353 1.00 0.00 C ATOM 469 O HIS A 31 10.309 9.189 3.523 1.00 0.00 O ATOM 470 CB HIS A 31 12.947 7.036 3.632 1.00 0.00 C ATOM 471 CG HIS A 31 13.789 8.255 3.361 1.00 0.00 C ATOM 472 ND1 HIS A 31 13.518 9.373 2.643 1.00 0.00 N flip ATOM 473 CD2 HIS A 31 15.056 8.424 3.846 1.00 0.00 C flip ATOM 474 CE1 HIS A 31 14.614 10.223 2.692 1.00 0.00 C flip ATOM 475 NE2 HIS A 31 15.507 9.602 3.434 1.00 0.00 N flip ATOM 0 H HIS A 31 11.406 5.276 4.556 1.00 0.00 H new ATOM 0 HA HIS A 31 11.839 8.026 5.167 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.518 6.339 4.245 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.736 6.532 2.689 1.00 0.00 H new ATOM 0 HD2 HIS A 31 15.597 7.719 4.460 1.00 0.00 H new ATOM 0 HE1 HIS A 31 14.713 11.190 2.221 1.00 0.00 H new ATOM 0 HE2 HIS A 31 16.427 9.978 3.663 1.00 0.00 H new ATOM 483 N CYS A 32 10.243 7.253 2.340 1.00 0.00 N ATOM 484 CA CYS A 32 9.303 7.714 1.318 1.00 0.00 C ATOM 485 C CYS A 32 8.058 8.258 1.969 1.00 0.00 C ATOM 486 O CYS A 32 7.684 9.394 1.736 1.00 0.00 O ATOM 487 CB CYS A 32 8.937 6.568 0.360 1.00 0.00 C ATOM 488 SG CYS A 32 9.701 6.653 -1.279 1.00 0.00 S ATOM 0 H CYS A 32 10.549 6.289 2.208 1.00 0.00 H new ATOM 0 HA CYS A 32 9.781 8.507 0.742 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.219 5.624 0.825 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.854 6.552 0.237 1.00 0.00 H new ATOM 493 N GLN A 33 7.467 7.447 2.828 1.00 0.00 N ATOM 494 CA GLN A 33 6.305 7.789 3.587 1.00 0.00 C ATOM 495 C GLN A 33 6.434 9.157 4.261 1.00 0.00 C ATOM 496 O GLN A 33 5.609 10.036 4.031 1.00 0.00 O ATOM 497 CB GLN A 33 6.091 6.721 4.630 1.00 0.00 C ATOM 498 CG GLN A 33 5.097 7.109 5.684 1.00 0.00 C ATOM 499 CD GLN A 33 5.044 6.144 6.839 1.00 0.00 C ATOM 500 OE1 GLN A 33 6.038 5.514 7.181 1.00 0.00 O ATOM 501 NE2 GLN A 33 3.904 6.031 7.466 1.00 0.00 N ATOM 0 H GLN A 33 7.804 6.502 3.014 1.00 0.00 H new ATOM 0 HA GLN A 33 5.453 7.849 2.909 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.753 5.808 4.140 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.044 6.493 5.107 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.346 8.101 6.060 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.108 7.178 5.232 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.096 6.570 7.156 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.822 5.404 8.266 1.00 0.00 H new ATOM 510 N MET A 34 7.482 9.343 5.064 1.00 0.00 N ATOM 511 CA MET A 34 7.610 10.592 5.797 1.00 0.00 C ATOM 512 C MET A 34 7.940 11.745 4.900 1.00 0.00 C ATOM 513 O MET A 34 7.344 12.783 5.014 1.00 0.00 O ATOM 514 CB MET A 34 8.583 10.535 6.987 1.00 0.00 C ATOM 515 CG MET A 34 10.026 10.193 6.658 1.00 0.00 C ATOM 516 SD MET A 34 11.136 10.345 8.079 1.00 0.00 S ATOM 517 CE MET A 34 10.278 9.362 9.314 1.00 0.00 C ATOM 0 H MET A 34 8.230 8.666 5.218 1.00 0.00 H new ATOM 0 HA MET A 34 6.620 10.755 6.223 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.566 11.502 7.490 1.00 0.00 H new ATOM 0 HB3 MET A 34 8.210 9.799 7.699 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.073 9.173 6.276 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.375 10.849 5.860 1.00 0.00 H new ATOM 0 HE1 MET A 34 10.997 8.979 10.038 1.00 0.00 H new ATOM 0 HE2 MET A 34 9.542 9.982 9.826 1.00 0.00 H new ATOM 0 HE3 MET A 34 9.773 8.527 8.828 1.00 0.00 H new ATOM 527 N HIS A 35 8.856 11.558 3.986 1.00 0.00 N ATOM 528 CA HIS A 35 9.260 12.641 3.095 1.00 0.00 C ATOM 529 C HIS A 35 8.186 13.061 2.108 1.00 0.00 C ATOM 530 O HIS A 35 8.216 14.185 1.614 1.00 0.00 O ATOM 531 CB HIS A 35 10.604 12.386 2.421 1.00 0.00 C ATOM 532 CG HIS A 35 11.780 12.697 3.302 1.00 0.00 C ATOM 533 ND1 HIS A 35 12.302 12.009 4.339 1.00 0.00 N flip ATOM 534 CD2 HIS A 35 12.562 13.831 3.172 1.00 0.00 C flip ATOM 535 CE1 HIS A 35 13.393 12.706 4.849 1.00 0.00 C flip ATOM 536 NE2 HIS A 35 13.505 13.793 4.106 1.00 0.00 N flip ATOM 0 H HIS A 35 9.341 10.674 3.831 1.00 0.00 H new ATOM 0 HA HIS A 35 9.400 13.501 3.750 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.656 11.342 2.113 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.668 12.989 1.515 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.429 14.612 2.438 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.019 12.418 5.681 1.00 0.00 H new ATOM 0 HE2 HIS A 35 14.221 14.508 4.233 1.00 0.00 H new ATOM 544 N LEU A 36 7.250 12.183 1.824 1.00 0.00 N ATOM 545 CA LEU A 36 6.137 12.553 0.986 1.00 0.00 C ATOM 546 C LEU A 36 5.078 13.282 1.793 1.00 0.00 C ATOM 547 O LEU A 36 4.414 14.168 1.285 1.00 0.00 O ATOM 548 CB LEU A 36 5.511 11.354 0.271 1.00 0.00 C ATOM 549 CG LEU A 36 6.413 10.608 -0.727 1.00 0.00 C ATOM 550 CD1 LEU A 36 5.672 9.449 -1.358 1.00 0.00 C ATOM 551 CD2 LEU A 36 6.958 11.546 -1.798 1.00 0.00 C ATOM 0 H LEU A 36 7.238 11.219 2.158 1.00 0.00 H new ATOM 0 HA LEU A 36 6.534 13.218 0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.175 10.643 1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.624 11.698 -0.261 1.00 0.00 H new ATOM 0 HG LEU A 36 7.263 10.212 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.329 8.936 -2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.357 8.753 -0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.796 9.823 -1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.591 10.985 -2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.129 11.990 -2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.545 12.335 -1.327 1.00 0.00 H new ATOM 563 N THR A 37 4.894 12.921 3.046 1.00 0.00 N ATOM 564 CA THR A 37 3.891 13.623 3.809 1.00 0.00 C ATOM 565 C THR A 37 4.427 14.920 4.412 1.00 0.00 C ATOM 566 O THR A 37 3.660 15.846 4.739 1.00 0.00 O ATOM 567 CB THR A 37 3.327 12.729 4.908 1.00 0.00 C ATOM 568 OG1 THR A 37 4.387 12.258 5.757 1.00 0.00 O ATOM 569 CG2 THR A 37 2.622 11.540 4.299 1.00 0.00 C ATOM 0 H THR A 37 5.399 12.183 3.536 1.00 0.00 H new ATOM 0 HA THR A 37 3.092 13.887 3.116 1.00 0.00 H new ATOM 0 HB THR A 37 2.620 13.313 5.497 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.126 11.406 6.165 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.223 10.908 5.092 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.805 11.886 3.666 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.328 10.966 3.699 1.00 0.00 H new ATOM 577 N SER A 38 5.716 14.988 4.554 1.00 0.00 N ATOM 578 CA SER A 38 6.339 16.137 5.133 1.00 0.00 C ATOM 579 C SER A 38 6.715 17.173 4.102 1.00 0.00 C ATOM 580 O SER A 38 7.070 16.855 2.957 1.00 0.00 O ATOM 581 CB SER A 38 7.548 15.764 6.005 1.00 0.00 C ATOM 582 OG SER A 38 8.540 15.072 5.260 1.00 0.00 O ATOM 0 H SER A 38 6.363 14.251 4.273 1.00 0.00 H new ATOM 0 HA SER A 38 5.589 16.587 5.784 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.980 16.668 6.434 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.218 15.142 6.837 1.00 0.00 H new ATOM 0 HG SER A 38 8.391 14.106 5.335 1.00 0.00 H new ATOM 588 N PHE A 39 6.622 18.388 4.497 1.00 0.00 N ATOM 589 CA PHE A 39 7.130 19.473 3.744 1.00 0.00 C ATOM 590 C PHE A 39 8.098 20.146 4.658 1.00 0.00 C ATOM 591 O PHE A 39 7.742 20.468 5.806 1.00 0.00 O ATOM 592 CB PHE A 39 6.014 20.420 3.283 1.00 0.00 C ATOM 593 CG PHE A 39 5.037 19.775 2.336 1.00 0.00 C ATOM 594 CD1 PHE A 39 5.330 19.678 0.985 1.00 0.00 C ATOM 595 CD2 PHE A 39 3.836 19.259 2.795 1.00 0.00 C ATOM 596 CE1 PHE A 39 4.446 19.079 0.112 1.00 0.00 C ATOM 597 CE2 PHE A 39 2.949 18.662 1.925 1.00 0.00 C ATOM 598 CZ PHE A 39 3.256 18.570 0.582 1.00 0.00 C ATOM 0 H PHE A 39 6.180 18.663 5.374 1.00 0.00 H new ATOM 0 HA PHE A 39 7.608 19.144 2.821 1.00 0.00 H new ATOM 0 HB2 PHE A 39 5.474 20.786 4.156 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.461 21.287 2.797 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.262 20.076 0.611 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.592 19.325 3.845 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.687 19.009 -0.939 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.014 18.266 2.294 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.563 18.099 -0.100 1.00 0.00 H new ATOM 865 N HIS A 55 15.009 11.960 -1.651 1.00 0.00 N ATOM 866 CA HIS A 55 14.332 10.887 -0.999 1.00 0.00 C ATOM 867 C HIS A 55 14.026 9.760 -1.957 1.00 0.00 C ATOM 868 O HIS A 55 13.905 8.630 -1.550 1.00 0.00 O ATOM 869 CB HIS A 55 13.078 11.391 -0.241 1.00 0.00 C ATOM 870 CG HIS A 55 12.161 12.306 -1.018 1.00 0.00 C ATOM 871 ND1 HIS A 55 11.673 13.497 -0.531 1.00 0.00 N ATOM 872 CD2 HIS A 55 11.610 12.155 -2.236 1.00 0.00 C ATOM 873 CE1 HIS A 55 10.852 14.006 -1.440 1.00 0.00 C ATOM 874 NE2 HIS A 55 10.772 13.228 -2.501 1.00 0.00 N ATOM 0 HA HIS A 55 15.003 10.473 -0.247 1.00 0.00 H new ATOM 0 HB2 HIS A 55 12.503 10.525 0.087 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.406 11.914 0.657 1.00 0.00 H new ATOM 0 HD1 HIS A 55 11.902 13.915 0.371 1.00 0.00 H new ATOM 0 HD2 HIS A 55 11.792 11.326 -2.904 1.00 0.00 H new ATOM 0 HE1 HIS A 55 10.318 14.938 -1.326 1.00 0.00 H new ATOM 882 N LEU A 56 13.995 10.064 -3.237 1.00 0.00 N ATOM 883 CA LEU A 56 13.720 9.068 -4.247 1.00 0.00 C ATOM 884 C LEU A 56 14.979 8.302 -4.499 1.00 0.00 C ATOM 885 O LEU A 56 14.953 7.083 -4.565 1.00 0.00 O ATOM 886 CB LEU A 56 13.142 9.714 -5.546 1.00 0.00 C ATOM 887 CG LEU A 56 12.817 8.785 -6.765 1.00 0.00 C ATOM 888 CD1 LEU A 56 14.065 8.383 -7.554 1.00 0.00 C ATOM 889 CD2 LEU A 56 12.063 7.542 -6.317 1.00 0.00 C ATOM 0 H LEU A 56 14.159 11.002 -3.604 1.00 0.00 H new ATOM 0 HA LEU A 56 12.950 8.381 -3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.225 10.238 -5.275 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.852 10.468 -5.885 1.00 0.00 H new ATOM 0 HG LEU A 56 12.184 9.369 -7.433 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.778 7.740 -8.386 1.00 0.00 H new ATOM 0 HD12 LEU A 56 14.556 9.277 -7.939 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.751 7.845 -6.900 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.850 6.914 -7.182 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.671 6.984 -5.605 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.127 7.836 -5.842 1.00 0.00 H new ATOM 901 N SER A 57 16.083 9.015 -4.577 1.00 0.00 N ATOM 902 CA SER A 57 17.379 8.416 -4.783 1.00 0.00 C ATOM 903 C SER A 57 17.714 7.433 -3.641 1.00 0.00 C ATOM 904 O SER A 57 18.463 6.475 -3.822 1.00 0.00 O ATOM 905 CB SER A 57 18.417 9.530 -4.901 1.00 0.00 C ATOM 906 OG SER A 57 18.007 10.472 -5.898 1.00 0.00 O ATOM 0 H SER A 57 16.103 10.032 -4.498 1.00 0.00 H new ATOM 0 HA SER A 57 17.381 7.835 -5.705 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.536 10.032 -3.941 1.00 0.00 H new ATOM 0 HB3 SER A 57 19.388 9.109 -5.163 1.00 0.00 H new ATOM 0 HG SER A 57 18.675 11.185 -5.969 1.00 0.00 H new ATOM 912 N LEU A 58 17.147 7.678 -2.476 1.00 0.00 N ATOM 913 CA LEU A 58 17.318 6.776 -1.349 1.00 0.00 C ATOM 914 C LEU A 58 16.247 5.677 -1.364 1.00 0.00 C ATOM 915 O LEU A 58 16.559 4.495 -1.320 1.00 0.00 O ATOM 916 CB LEU A 58 17.266 7.568 -0.047 1.00 0.00 C ATOM 917 CG LEU A 58 18.197 8.793 -0.022 1.00 0.00 C ATOM 918 CD1 LEU A 58 18.052 9.564 1.268 1.00 0.00 C ATOM 919 CD2 LEU A 58 19.652 8.387 -0.233 1.00 0.00 C ATOM 0 H LEU A 58 16.564 8.493 -2.283 1.00 0.00 H new ATOM 0 HA LEU A 58 18.291 6.291 -1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 58 16.242 7.899 0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.529 6.907 0.779 1.00 0.00 H new ATOM 0 HG LEU A 58 17.899 9.442 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 58 18.722 10.423 1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 58 17.023 9.908 1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 58 18.306 8.918 2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 58 20.284 9.275 -0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 58 19.957 7.703 0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 58 19.755 7.893 -1.199 1.00 0.00 H new ATOM 931 N CYS A 59 14.998 6.089 -1.478 1.00 0.00 N ATOM 932 CA CYS A 59 13.844 5.186 -1.448 1.00 0.00 C ATOM 933 C CYS A 59 13.903 4.148 -2.569 1.00 0.00 C ATOM 934 O CYS A 59 13.752 2.965 -2.307 1.00 0.00 O ATOM 935 CB CYS A 59 12.572 6.006 -1.545 1.00 0.00 C ATOM 936 SG CYS A 59 11.021 5.123 -1.296 1.00 0.00 S ATOM 0 H CYS A 59 14.745 7.070 -1.596 1.00 0.00 H new ATOM 0 HA CYS A 59 13.859 4.636 -0.507 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.628 6.810 -0.811 1.00 0.00 H new ATOM 0 HB3 CYS A 59 12.543 6.475 -2.529 1.00 0.00 H new ATOM 941 N CYS A 60 14.169 4.593 -3.809 1.00 0.00 N ATOM 942 CA CYS A 60 14.275 3.694 -4.972 1.00 0.00 C ATOM 943 C CYS A 60 15.351 2.652 -4.729 1.00 0.00 C ATOM 944 O CYS A 60 15.183 1.484 -5.039 1.00 0.00 O ATOM 945 CB CYS A 60 14.572 4.506 -6.261 1.00 0.00 C ATOM 946 SG CYS A 60 14.818 3.531 -7.800 1.00 0.00 S ATOM 0 H CYS A 60 14.316 5.577 -4.033 1.00 0.00 H new ATOM 0 HA CYS A 60 13.323 3.181 -5.108 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.749 5.201 -6.425 1.00 0.00 H new ATOM 0 HB3 CYS A 60 15.466 5.105 -6.089 1.00 0.00 H new ATOM 951 N ASN A 61 16.395 3.072 -4.062 1.00 0.00 N ATOM 952 CA ASN A 61 17.549 2.229 -3.799 1.00 0.00 C ATOM 953 C ASN A 61 17.260 1.234 -2.683 1.00 0.00 C ATOM 954 O ASN A 61 17.877 0.156 -2.603 1.00 0.00 O ATOM 955 CB ASN A 61 18.715 3.114 -3.434 1.00 0.00 C ATOM 956 CG ASN A 61 20.047 2.394 -3.250 1.00 0.00 C ATOM 957 OD1 ASN A 61 20.848 2.769 -2.390 1.00 0.00 O ATOM 958 ND2 ASN A 61 20.341 1.432 -4.087 1.00 0.00 N ATOM 0 H ASN A 61 16.476 4.014 -3.680 1.00 0.00 H new ATOM 0 HA ASN A 61 17.787 1.651 -4.692 1.00 0.00 H new ATOM 0 HB2 ASN A 61 18.833 3.870 -4.211 1.00 0.00 H new ATOM 0 HB3 ASN A 61 18.475 3.641 -2.511 1.00 0.00 H new ATOM 0 HD21 ASN A 61 21.251 0.973 -4.038 1.00 0.00 H new ATOM 0 HD22 ASN A 61 19.660 1.141 -4.789 1.00 0.00 H new ATOM 965 N GLN A 62 16.342 1.593 -1.833 1.00 0.00 N ATOM 966 CA GLN A 62 15.936 0.744 -0.743 1.00 0.00 C ATOM 967 C GLN A 62 14.854 -0.245 -1.192 1.00 0.00 C ATOM 968 O GLN A 62 14.940 -1.445 -0.916 1.00 0.00 O ATOM 969 CB GLN A 62 15.480 1.599 0.454 1.00 0.00 C ATOM 970 CG GLN A 62 14.989 0.819 1.672 1.00 0.00 C ATOM 971 CD GLN A 62 16.021 -0.142 2.232 1.00 0.00 C ATOM 972 OE1 GLN A 62 16.079 -1.309 1.847 1.00 0.00 O ATOM 973 NE2 GLN A 62 16.824 0.322 3.146 1.00 0.00 N ATOM 0 H GLN A 62 15.850 2.486 -1.874 1.00 0.00 H new ATOM 0 HA GLN A 62 16.791 0.151 -0.419 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.311 2.234 0.762 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.680 2.260 0.122 1.00 0.00 H new ATOM 0 HG2 GLN A 62 14.699 1.523 2.452 1.00 0.00 H new ATOM 0 HG3 GLN A 62 14.094 0.260 1.399 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.750 1.295 3.443 1.00 0.00 H new ATOM 0 HE22 GLN A 62 17.527 -0.287 3.564 1.00 0.00 H new ATOM 982 N LEU A 63 13.879 0.244 -1.924 1.00 0.00 N ATOM 983 CA LEU A 63 12.768 -0.584 -2.373 1.00 0.00 C ATOM 984 C LEU A 63 13.263 -1.645 -3.359 1.00 0.00 C ATOM 985 O LEU A 63 12.753 -2.745 -3.412 1.00 0.00 O ATOM 986 CB LEU A 63 11.661 0.301 -2.998 1.00 0.00 C ATOM 987 CG LEU A 63 11.961 0.949 -4.341 1.00 0.00 C ATOM 988 CD1 LEU A 63 11.617 0.034 -5.479 1.00 0.00 C ATOM 989 CD2 LEU A 63 11.257 2.264 -4.467 1.00 0.00 C ATOM 0 H LEU A 63 13.827 1.217 -2.226 1.00 0.00 H new ATOM 0 HA LEU A 63 12.337 -1.102 -1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.765 -0.309 -3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.421 1.092 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 63 13.034 1.137 -4.389 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.843 0.528 -6.424 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.202 -0.882 -5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.555 -0.209 -5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.487 2.708 -5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.181 2.110 -4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.590 2.932 -3.673 1.00 0.00 H new ATOM 1001 N GLN A 64 14.292 -1.295 -4.119 1.00 0.00 N ATOM 1002 CA GLN A 64 14.852 -2.178 -5.127 1.00 0.00 C ATOM 1003 C GLN A 64 15.626 -3.340 -4.495 1.00 0.00 C ATOM 1004 O GLN A 64 16.047 -4.281 -5.188 1.00 0.00 O ATOM 1005 CB GLN A 64 15.736 -1.405 -6.090 1.00 0.00 C ATOM 1006 CG GLN A 64 17.053 -0.969 -5.512 1.00 0.00 C ATOM 1007 CD GLN A 64 17.911 -0.225 -6.518 1.00 0.00 C ATOM 1008 OE1 GLN A 64 18.709 0.633 -6.153 1.00 0.00 O ATOM 1009 NE2 GLN A 64 17.748 -0.519 -7.783 1.00 0.00 N ATOM 0 H GLN A 64 14.760 -0.391 -4.052 1.00 0.00 H new ATOM 0 HA GLN A 64 14.020 -2.604 -5.687 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.925 -2.024 -6.967 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.194 -0.524 -6.433 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.873 -0.328 -4.649 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.596 -1.843 -5.153 1.00 0.00 H new ATOM 0 HE21 GLN A 64 17.077 -1.237 -8.057 1.00 0.00 H new ATOM 0 HE22 GLN A 64 18.292 -0.030 -8.494 1.00 0.00 H new ATOM 1018 N GLU A 65 15.829 -3.263 -3.186 1.00 0.00 N ATOM 1019 CA GLU A 65 16.455 -4.341 -2.455 1.00 0.00 C ATOM 1020 C GLU A 65 15.457 -5.441 -2.214 1.00 0.00 C ATOM 1021 O GLU A 65 15.812 -6.559 -1.838 1.00 0.00 O ATOM 1022 CB GLU A 65 17.051 -3.865 -1.137 1.00 0.00 C ATOM 1023 CG GLU A 65 18.315 -3.071 -1.311 1.00 0.00 C ATOM 1024 CD GLU A 65 19.397 -3.902 -1.950 1.00 0.00 C ATOM 1025 OE1 GLU A 65 20.161 -4.559 -1.224 1.00 0.00 O ATOM 1026 OE2 GLU A 65 19.507 -3.909 -3.194 1.00 0.00 O ATOM 0 H GLU A 65 15.566 -2.461 -2.614 1.00 0.00 H new ATOM 0 HA GLU A 65 17.277 -4.723 -3.061 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.316 -3.255 -0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.257 -4.729 -0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.115 -2.194 -1.927 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.656 -2.708 -0.341 1.00 0.00 H new ATOM 1033 N VAL A 66 14.208 -5.106 -2.391 1.00 0.00 N ATOM 1034 CA VAL A 66 13.138 -6.068 -2.311 1.00 0.00 C ATOM 1035 C VAL A 66 13.038 -6.743 -3.689 1.00 0.00 C ATOM 1036 O VAL A 66 13.584 -6.212 -4.676 1.00 0.00 O ATOM 1037 CB VAL A 66 11.779 -5.370 -1.969 1.00 0.00 C ATOM 1038 CG1 VAL A 66 10.691 -6.370 -1.618 1.00 0.00 C ATOM 1039 CG2 VAL A 66 11.948 -4.368 -0.852 1.00 0.00 C ATOM 0 H VAL A 66 13.901 -4.155 -2.596 1.00 0.00 H new ATOM 0 HA VAL A 66 13.343 -6.793 -1.523 1.00 0.00 H new ATOM 0 HB VAL A 66 11.464 -4.843 -2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.768 -5.838 -1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.524 -7.038 -2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.999 -6.953 -0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.988 -3.899 -0.636 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.313 -4.876 0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.665 -3.605 -1.153 1.00 0.00 H new ATOM 1049 N GLU A 67 12.392 -7.903 -3.748 1.00 0.00 N ATOM 1050 CA GLU A 67 12.162 -8.633 -4.998 1.00 0.00 C ATOM 1051 C GLU A 67 11.591 -7.725 -6.069 1.00 0.00 C ATOM 1052 O GLU A 67 10.753 -6.882 -5.772 1.00 0.00 O ATOM 1053 CB GLU A 67 11.218 -9.777 -4.731 1.00 0.00 C ATOM 1054 CG GLU A 67 11.864 -10.892 -3.977 1.00 0.00 C ATOM 1055 CD GLU A 67 10.888 -11.924 -3.519 1.00 0.00 C ATOM 1056 OE1 GLU A 67 10.412 -12.708 -4.350 1.00 0.00 O ATOM 1057 OE2 GLU A 67 10.581 -11.977 -2.293 1.00 0.00 O ATOM 0 H GLU A 67 12.009 -8.370 -2.926 1.00 0.00 H new ATOM 0 HA GLU A 67 13.116 -9.014 -5.363 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.360 -9.411 -4.167 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.837 -10.157 -5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.615 -11.365 -4.610 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.387 -10.484 -3.112 1.00 0.00 H new ATOM 1064 N LYS A 68 12.021 -7.925 -7.311 1.00 0.00 N ATOM 1065 CA LYS A 68 11.656 -7.045 -8.430 1.00 0.00 C ATOM 1066 C LYS A 68 10.146 -6.922 -8.609 1.00 0.00 C ATOM 1067 O LYS A 68 9.637 -5.849 -8.931 1.00 0.00 O ATOM 1068 CB LYS A 68 12.339 -7.484 -9.732 1.00 0.00 C ATOM 1069 CG LYS A 68 11.862 -8.809 -10.294 1.00 0.00 C ATOM 1070 CD LYS A 68 12.756 -9.316 -11.398 1.00 0.00 C ATOM 1071 CE LYS A 68 14.064 -9.847 -10.833 1.00 0.00 C ATOM 1072 NZ LYS A 68 14.918 -10.438 -11.873 1.00 0.00 N ATOM 0 H LYS A 68 12.631 -8.698 -7.576 1.00 0.00 H new ATOM 0 HA LYS A 68 12.023 -6.050 -8.177 1.00 0.00 H new ATOM 0 HB2 LYS A 68 12.183 -6.711 -10.484 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.413 -7.547 -9.557 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.822 -9.548 -9.493 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.847 -8.696 -10.674 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.247 -10.105 -11.951 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.960 -8.512 -12.105 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.601 -9.036 -10.341 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.851 -10.596 -10.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 15.798 -10.787 -11.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.417 -11.229 -12.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.144 -9.717 -12.588 1.00 0.00 H new ATOM 1086 N GLN A 69 9.430 -7.996 -8.315 1.00 0.00 N ATOM 1087 CA GLN A 69 7.978 -7.996 -8.459 1.00 0.00 C ATOM 1088 C GLN A 69 7.329 -7.251 -7.283 1.00 0.00 C ATOM 1089 O GLN A 69 6.235 -6.724 -7.383 1.00 0.00 O ATOM 1090 CB GLN A 69 7.433 -9.439 -8.519 1.00 0.00 C ATOM 1091 CG GLN A 69 7.663 -10.238 -7.236 1.00 0.00 C ATOM 1092 CD GLN A 69 7.075 -11.631 -7.261 1.00 0.00 C ATOM 1093 OE1 GLN A 69 5.926 -11.833 -6.897 1.00 0.00 O ATOM 1094 NE2 GLN A 69 7.853 -12.602 -7.648 1.00 0.00 N ATOM 0 H GLN A 69 9.824 -8.874 -7.977 1.00 0.00 H new ATOM 0 HA GLN A 69 7.730 -7.488 -9.391 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.364 -9.405 -8.729 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.905 -9.962 -9.351 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.735 -10.311 -7.054 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.234 -9.689 -6.397 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.808 -12.402 -7.946 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.507 -13.562 -7.653 1.00 0.00 H new ATOM 1103 N CYS A 70 8.050 -7.175 -6.197 1.00 0.00 N ATOM 1104 CA CYS A 70 7.535 -6.639 -4.962 1.00 0.00 C ATOM 1105 C CYS A 70 7.949 -5.192 -4.763 1.00 0.00 C ATOM 1106 O CYS A 70 7.402 -4.494 -3.914 1.00 0.00 O ATOM 1107 CB CYS A 70 8.003 -7.511 -3.811 1.00 0.00 C ATOM 1108 SG CYS A 70 7.493 -9.259 -3.981 1.00 0.00 S ATOM 0 H CYS A 70 9.020 -7.486 -6.142 1.00 0.00 H new ATOM 0 HA CYS A 70 6.446 -6.647 -5.000 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.090 -7.461 -3.744 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.607 -7.113 -2.877 1.00 0.00 H new ATOM 1113 N GLN A 71 8.901 -4.745 -5.565 1.00 0.00 N ATOM 1114 CA GLN A 71 9.391 -3.372 -5.536 1.00 0.00 C ATOM 1115 C GLN A 71 8.271 -2.368 -5.757 1.00 0.00 C ATOM 1116 O GLN A 71 8.200 -1.352 -5.090 1.00 0.00 O ATOM 1117 CB GLN A 71 10.471 -3.197 -6.581 1.00 0.00 C ATOM 1118 CG GLN A 71 11.751 -3.903 -6.220 1.00 0.00 C ATOM 1119 CD GLN A 71 12.798 -3.834 -7.297 1.00 0.00 C ATOM 1120 OE1 GLN A 71 12.846 -2.894 -8.090 1.00 0.00 O ATOM 1121 NE2 GLN A 71 13.673 -4.791 -7.307 1.00 0.00 N ATOM 0 H GLN A 71 9.362 -5.329 -6.263 1.00 0.00 H new ATOM 0 HA GLN A 71 9.806 -3.181 -4.546 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.110 -3.575 -7.537 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.673 -2.134 -6.714 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.152 -3.466 -5.306 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.532 -4.949 -6.004 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.602 -5.554 -6.634 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.433 -4.780 -7.988 1.00 0.00 H new ATOM 1130 N CYS A 72 7.369 -2.666 -6.668 1.00 0.00 N ATOM 1131 CA CYS A 72 6.273 -1.756 -6.905 1.00 0.00 C ATOM 1132 C CYS A 72 5.157 -1.959 -5.932 1.00 0.00 C ATOM 1133 O CYS A 72 4.380 -1.041 -5.667 1.00 0.00 O ATOM 1134 CB CYS A 72 5.778 -1.803 -8.317 1.00 0.00 C ATOM 1135 SG CYS A 72 5.288 -3.430 -8.934 1.00 0.00 S ATOM 0 H CYS A 72 7.372 -3.509 -7.242 1.00 0.00 H new ATOM 0 HA CYS A 72 6.673 -0.755 -6.744 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.924 -1.132 -8.404 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.559 -1.410 -8.968 1.00 0.00 H new ATOM 1140 N GLU A 73 5.082 -3.149 -5.380 1.00 0.00 N ATOM 1141 CA GLU A 73 4.081 -3.456 -4.390 1.00 0.00 C ATOM 1142 C GLU A 73 4.367 -2.575 -3.143 1.00 0.00 C ATOM 1143 O GLU A 73 3.452 -2.038 -2.503 1.00 0.00 O ATOM 1144 CB GLU A 73 4.158 -4.937 -4.007 1.00 0.00 C ATOM 1145 CG GLU A 73 3.959 -5.958 -5.138 1.00 0.00 C ATOM 1146 CD GLU A 73 2.530 -6.186 -5.563 1.00 0.00 C ATOM 1147 OE1 GLU A 73 1.847 -7.065 -4.963 1.00 0.00 O ATOM 1148 OE2 GLU A 73 2.083 -5.569 -6.537 1.00 0.00 O ATOM 0 H GLU A 73 5.708 -3.923 -5.603 1.00 0.00 H new ATOM 0 HA GLU A 73 3.084 -3.256 -4.783 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.132 -5.120 -3.552 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.407 -5.129 -3.241 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.530 -5.628 -6.006 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.382 -6.911 -4.822 1.00 0.00 H new ATOM 1155 N ALA A 74 5.675 -2.381 -2.867 1.00 0.00 N ATOM 1156 CA ALA A 74 6.160 -1.577 -1.761 1.00 0.00 C ATOM 1157 C ALA A 74 5.644 -0.155 -1.853 1.00 0.00 C ATOM 1158 O ALA A 74 5.361 0.481 -0.846 1.00 0.00 O ATOM 1159 CB ALA A 74 7.683 -1.561 -1.766 1.00 0.00 C ATOM 0 H ALA A 74 6.423 -2.792 -3.425 1.00 0.00 H new ATOM 0 HA ALA A 74 5.795 -2.020 -0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.043 -0.956 -0.934 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.058 -2.579 -1.663 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.039 -1.136 -2.704 1.00 0.00 H new ATOM 1165 N ILE A 75 5.459 0.303 -3.077 1.00 0.00 N ATOM 1166 CA ILE A 75 5.045 1.665 -3.343 1.00 0.00 C ATOM 1167 C ILE A 75 3.613 1.872 -2.910 1.00 0.00 C ATOM 1168 O ILE A 75 3.239 2.943 -2.433 1.00 0.00 O ATOM 1169 CB ILE A 75 5.149 2.012 -4.839 1.00 0.00 C ATOM 1170 CG1 ILE A 75 6.508 1.612 -5.405 1.00 0.00 C ATOM 1171 CG2 ILE A 75 4.910 3.487 -5.043 1.00 0.00 C ATOM 1172 CD1 ILE A 75 7.689 2.186 -4.678 1.00 0.00 C ATOM 0 H ILE A 75 5.592 -0.262 -3.916 1.00 0.00 H new ATOM 0 HA ILE A 75 5.714 2.315 -2.779 1.00 0.00 H new ATOM 0 HB ILE A 75 4.385 1.448 -5.374 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.585 0.525 -5.392 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.556 1.922 -6.449 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.985 3.724 -6.104 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.915 3.748 -4.683 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.657 4.057 -4.490 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.609 1.846 -5.153 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.644 3.275 -4.713 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.673 1.855 -3.640 1.00 0.00 H new ATOM 1184 N LYS A 76 2.826 0.824 -3.026 1.00 0.00 N ATOM 1185 CA LYS A 76 1.433 0.893 -2.686 1.00 0.00 C ATOM 1186 C LYS A 76 1.347 1.054 -1.202 1.00 0.00 C ATOM 1187 O LYS A 76 0.599 1.898 -0.683 1.00 0.00 O ATOM 1188 CB LYS A 76 0.727 -0.393 -3.117 1.00 0.00 C ATOM 1189 CG LYS A 76 0.941 -0.749 -4.588 1.00 0.00 C ATOM 1190 CD LYS A 76 0.424 0.334 -5.532 1.00 0.00 C ATOM 1191 CE LYS A 76 -1.092 0.481 -5.470 1.00 0.00 C ATOM 1192 NZ LYS A 76 -1.790 -0.744 -5.920 1.00 0.00 N ATOM 0 H LYS A 76 3.136 -0.090 -3.356 1.00 0.00 H new ATOM 0 HA LYS A 76 0.951 1.729 -3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.082 -1.217 -2.498 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.342 -0.291 -2.929 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.004 -0.907 -4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.436 -1.690 -4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.890 1.286 -5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.722 0.095 -6.553 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.392 0.713 -4.448 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.400 1.322 -6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.800 -0.538 -6.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.379 -1.068 -6.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.682 -1.489 -5.202 1.00 0.00 H new ATOM 1206 N GLN A 77 2.209 0.305 -0.538 1.00 0.00 N ATOM 1207 CA GLN A 77 2.290 0.295 0.902 1.00 0.00 C ATOM 1208 C GLN A 77 2.642 1.673 1.427 1.00 0.00 C ATOM 1209 O GLN A 77 2.118 2.086 2.468 1.00 0.00 O ATOM 1210 CB GLN A 77 3.335 -0.681 1.395 1.00 0.00 C ATOM 1211 CG GLN A 77 3.329 -2.035 0.712 1.00 0.00 C ATOM 1212 CD GLN A 77 4.017 -3.084 1.550 1.00 0.00 C ATOM 1213 OE1 GLN A 77 3.683 -4.267 1.498 1.00 0.00 O ATOM 1214 NE2 GLN A 77 4.976 -2.670 2.331 1.00 0.00 N ATOM 0 H GLN A 77 2.877 -0.318 -0.993 1.00 0.00 H new ATOM 0 HA GLN A 77 1.311 -0.011 1.270 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.319 -0.231 1.265 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.192 -0.831 2.465 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.301 -2.341 0.518 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.826 -1.957 -0.255 1.00 0.00 H new ATOM 0 HE21 GLN A 77 5.228 -1.682 2.350 1.00 0.00 H new ATOM 0 HE22 GLN A 77 5.474 -3.335 2.923 1.00 0.00 H new ATOM 1223 N VAL A 78 3.531 2.383 0.696 1.00 0.00 N ATOM 1224 CA VAL A 78 3.943 3.741 1.069 1.00 0.00 C ATOM 1225 C VAL A 78 2.725 4.612 1.190 1.00 0.00 C ATOM 1226 O VAL A 78 2.550 5.308 2.178 1.00 0.00 O ATOM 1227 CB VAL A 78 4.857 4.433 0.014 1.00 0.00 C ATOM 1228 CG1 VAL A 78 5.337 5.780 0.521 1.00 0.00 C ATOM 1229 CG2 VAL A 78 6.020 3.577 -0.387 1.00 0.00 C ATOM 0 H VAL A 78 3.972 2.032 -0.154 1.00 0.00 H new ATOM 0 HA VAL A 78 4.497 3.633 2.002 1.00 0.00 H new ATOM 0 HB VAL A 78 4.250 4.586 -0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.974 6.246 -0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.478 6.422 0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.904 5.641 1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.624 4.106 -1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.628 3.356 0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.654 2.646 -0.819 1.00 0.00 H new ATOM 1239 N VAL A 79 1.855 4.516 0.192 1.00 0.00 N ATOM 1240 CA VAL A 79 0.685 5.362 0.118 1.00 0.00 C ATOM 1241 C VAL A 79 -0.207 5.087 1.304 1.00 0.00 C ATOM 1242 O VAL A 79 -0.630 6.009 2.002 1.00 0.00 O ATOM 1243 CB VAL A 79 -0.120 5.119 -1.181 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -1.268 6.111 -1.298 1.00 0.00 C ATOM 1245 CG2 VAL A 79 0.782 5.177 -2.406 1.00 0.00 C ATOM 0 H VAL A 79 1.945 3.854 -0.579 1.00 0.00 H new ATOM 0 HA VAL A 79 1.023 6.398 0.121 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.544 4.116 -1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.820 5.922 -2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.936 5.997 -0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.871 7.126 -1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.188 5.003 -3.303 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.251 6.159 -2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.553 4.411 -2.327 1.00 0.00 H new ATOM 1255 N GLU A 80 -0.408 3.806 1.565 1.00 0.00 N ATOM 1256 CA GLU A 80 -1.264 3.340 2.635 1.00 0.00 C ATOM 1257 C GLU A 80 -0.823 3.903 3.983 1.00 0.00 C ATOM 1258 O GLU A 80 -1.622 4.521 4.698 1.00 0.00 O ATOM 1259 CB GLU A 80 -1.239 1.826 2.709 1.00 0.00 C ATOM 1260 CG GLU A 80 -1.631 1.112 1.437 1.00 0.00 C ATOM 1261 CD GLU A 80 -1.673 -0.369 1.644 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -0.644 -1.048 1.485 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -2.735 -0.884 2.034 1.00 0.00 O ATOM 0 H GLU A 80 0.026 3.053 1.031 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.274 3.687 2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.235 1.509 2.990 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.909 1.506 3.507 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.608 1.464 1.104 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.920 1.352 0.647 1.00 0.00 H new ATOM 1270 N GLN A 81 0.453 3.731 4.299 1.00 0.00 N ATOM 1271 CA GLN A 81 0.984 4.160 5.583 1.00 0.00 C ATOM 1272 C GLN A 81 1.118 5.682 5.663 1.00 0.00 C ATOM 1273 O GLN A 81 0.944 6.286 6.735 1.00 0.00 O ATOM 1274 CB GLN A 81 2.320 3.462 5.897 1.00 0.00 C ATOM 1275 CG GLN A 81 3.403 3.686 4.854 1.00 0.00 C ATOM 1276 CD GLN A 81 4.681 2.909 5.111 1.00 0.00 C ATOM 1277 OE1 GLN A 81 5.352 2.516 4.184 1.00 0.00 O ATOM 1278 NE2 GLN A 81 5.046 2.720 6.350 1.00 0.00 N ATOM 0 H GLN A 81 1.140 3.297 3.682 1.00 0.00 H new ATOM 0 HA GLN A 81 0.266 3.860 6.346 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.683 3.815 6.862 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.143 2.391 5.995 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.012 3.409 3.875 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.639 4.749 4.813 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.461 3.062 7.112 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.917 2.230 6.556 1.00 0.00 H new ATOM 1287 N ALA A 82 1.393 6.305 4.543 1.00 0.00 N ATOM 1288 CA ALA A 82 1.557 7.736 4.506 1.00 0.00 C ATOM 1289 C ALA A 82 0.229 8.441 4.695 1.00 0.00 C ATOM 1290 O ALA A 82 0.145 9.442 5.413 1.00 0.00 O ATOM 1291 CB ALA A 82 2.229 8.176 3.217 1.00 0.00 C ATOM 0 H ALA A 82 1.508 5.841 3.642 1.00 0.00 H new ATOM 0 HA ALA A 82 2.207 8.019 5.334 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.340 9.260 3.216 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.212 7.711 3.142 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.618 7.873 2.367 1.00 0.00 H new ATOM 1297 N GLN A 83 -0.815 7.907 4.093 1.00 0.00 N ATOM 1298 CA GLN A 83 -2.106 8.526 4.205 1.00 0.00 C ATOM 1299 C GLN A 83 -2.674 8.322 5.592 1.00 0.00 C ATOM 1300 O GLN A 83 -3.169 9.259 6.190 1.00 0.00 O ATOM 1301 CB GLN A 83 -3.097 8.064 3.113 1.00 0.00 C ATOM 1302 CG GLN A 83 -3.497 6.606 3.158 1.00 0.00 C ATOM 1303 CD GLN A 83 -4.481 6.254 2.076 1.00 0.00 C ATOM 1304 OE1 GLN A 83 -4.104 5.857 0.973 1.00 0.00 O ATOM 1305 NE2 GLN A 83 -5.740 6.401 2.365 1.00 0.00 N ATOM 0 H GLN A 83 -0.789 7.057 3.530 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.961 9.594 4.042 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.999 8.671 3.188 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.655 8.270 2.138 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.608 5.984 3.055 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -3.933 6.380 4.131 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -6.016 6.732 3.289 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -6.452 6.185 1.667 1.00 0.00 H new ATOM 1314 N LYS A 84 -2.503 7.116 6.141 1.00 0.00 N ATOM 1315 CA LYS A 84 -3.067 6.783 7.445 1.00 0.00 C ATOM 1316 C LYS A 84 -2.417 7.583 8.555 1.00 0.00 C ATOM 1317 O LYS A 84 -3.037 7.862 9.574 1.00 0.00 O ATOM 1318 CB LYS A 84 -3.027 5.246 7.714 1.00 0.00 C ATOM 1319 CG LYS A 84 -1.636 4.611 7.857 1.00 0.00 C ATOM 1320 CD LYS A 84 -1.055 4.735 9.260 1.00 0.00 C ATOM 1321 CE LYS A 84 -1.816 3.876 10.268 1.00 0.00 C ATOM 1322 NZ LYS A 84 -1.227 3.941 11.624 1.00 0.00 N ATOM 0 H LYS A 84 -1.980 6.359 5.702 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.119 7.069 7.431 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.589 5.045 8.626 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.549 4.744 6.900 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.697 3.556 7.589 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.955 5.081 7.147 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.007 4.437 9.247 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.086 5.778 9.575 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.855 4.204 10.310 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.823 2.841 9.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.778 3.342 12.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.244 3.603 11.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.244 4.924 11.963 1.00 0.00 H new ATOM 1336 N GLN A 85 -1.172 7.975 8.355 1.00 0.00 N ATOM 1337 CA GLN A 85 -0.477 8.708 9.376 1.00 0.00 C ATOM 1338 C GLN A 85 -0.929 10.180 9.397 1.00 0.00 C ATOM 1339 O GLN A 85 -0.944 10.816 10.437 1.00 0.00 O ATOM 1340 CB GLN A 85 1.044 8.567 9.224 1.00 0.00 C ATOM 1341 CG GLN A 85 1.701 9.503 8.230 1.00 0.00 C ATOM 1342 CD GLN A 85 3.203 9.339 8.178 1.00 0.00 C ATOM 1343 OE1 GLN A 85 3.791 9.697 7.077 1.00 0.00 O flip ATOM 1344 NE2 GLN A 85 3.837 8.939 9.157 1.00 0.00 N flip ATOM 0 H GLN A 85 -0.635 7.798 7.506 1.00 0.00 H new ATOM 0 HA GLN A 85 -0.736 8.278 10.344 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.503 8.725 10.200 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.266 7.541 8.929 1.00 0.00 H new ATOM 0 HG2 GLN A 85 1.286 9.323 7.238 1.00 0.00 H new ATOM 0 HG3 GLN A 85 1.461 10.533 8.494 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.344 8.665 10.007 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.855 8.882 9.117 1.00 0.00 H new ATOM 1353 N LEU A 86 -1.314 10.696 8.249 1.00 0.00 N ATOM 1354 CA LEU A 86 -1.792 12.078 8.151 1.00 0.00 C ATOM 1355 C LEU A 86 -3.289 12.186 8.430 1.00 0.00 C ATOM 1356 O LEU A 86 -3.743 13.084 9.150 1.00 0.00 O ATOM 1357 CB LEU A 86 -1.421 12.685 6.788 1.00 0.00 C ATOM 1358 CG LEU A 86 -0.133 13.522 6.720 1.00 0.00 C ATOM 1359 CD1 LEU A 86 -0.333 14.845 7.420 1.00 0.00 C ATOM 1360 CD2 LEU A 86 1.024 12.794 7.363 1.00 0.00 C ATOM 0 H LEU A 86 -1.309 10.187 7.365 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.290 12.658 8.925 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.334 11.871 6.068 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.250 13.313 6.461 1.00 0.00 H new ATOM 0 HG LEU A 86 0.097 13.691 5.668 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.586 15.428 7.365 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.141 15.394 6.936 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.589 14.669 8.465 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.921 13.410 7.300 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.793 12.596 8.410 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.194 11.851 6.844 1.00 0.00 H new ATOM 1372 N GLN A 87 -4.030 11.239 7.893 1.00 0.00 N ATOM 1373 CA GLN A 87 -5.492 11.169 7.985 1.00 0.00 C ATOM 1374 C GLN A 87 -5.984 11.111 9.435 1.00 0.00 C ATOM 1375 O GLN A 87 -7.043 11.657 9.767 1.00 0.00 O ATOM 1376 CB GLN A 87 -5.951 9.920 7.227 1.00 0.00 C ATOM 1377 CG GLN A 87 -7.434 9.622 7.249 1.00 0.00 C ATOM 1378 CD GLN A 87 -7.749 8.340 6.512 1.00 0.00 C ATOM 1379 OE1 GLN A 87 -6.922 7.418 6.462 1.00 0.00 O ATOM 1380 NE2 GLN A 87 -8.926 8.251 5.960 1.00 0.00 N ATOM 0 H GLN A 87 -3.628 10.467 7.361 1.00 0.00 H new ATOM 0 HA GLN A 87 -5.914 12.074 7.548 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.638 10.018 6.187 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.424 9.059 7.638 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.776 9.544 8.281 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.980 10.449 6.794 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -9.579 9.032 6.023 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.194 7.400 5.465 1.00 0.00 H new ATOM 1389 N GLN A 88 -5.198 10.499 10.293 1.00 0.00 N ATOM 1390 CA GLN A 88 -5.592 10.260 11.683 1.00 0.00 C ATOM 1391 C GLN A 88 -5.569 11.515 12.554 1.00 0.00 C ATOM 1392 O GLN A 88 -6.006 11.475 13.714 1.00 0.00 O ATOM 1393 CB GLN A 88 -4.696 9.211 12.299 1.00 0.00 C ATOM 1394 CG GLN A 88 -3.242 9.619 12.357 1.00 0.00 C ATOM 1395 CD GLN A 88 -2.375 8.569 12.974 1.00 0.00 C ATOM 1396 OE1 GLN A 88 -2.149 8.562 14.172 1.00 0.00 O ATOM 1397 NE2 GLN A 88 -1.935 7.655 12.187 1.00 0.00 N ATOM 0 H GLN A 88 -4.269 10.150 10.058 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.626 9.918 11.649 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.045 8.994 13.309 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.784 8.288 11.726 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.887 9.831 11.348 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.150 10.543 12.928 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.146 7.696 11.190 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.375 6.888 12.559 1.00 0.00 H new ATOM 1406 N GLY A 89 -5.036 12.593 12.049 1.00 0.00 N ATOM 1407 CA GLY A 89 -4.987 13.786 12.860 1.00 0.00 C ATOM 1408 C GLY A 89 -4.932 15.057 12.070 1.00 0.00 C ATOM 1409 O GLY A 89 -5.919 15.786 11.980 1.00 0.00 O ATOM 0 H GLY A 89 -4.641 12.675 11.112 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.864 13.810 13.507 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.113 13.736 13.510 1.00 0.00 H new ATOM 1413 N GLN A 90 -3.790 15.313 11.492 1.00 0.00 N ATOM 1414 CA GLN A 90 -3.518 16.549 10.765 1.00 0.00 C ATOM 1415 C GLN A 90 -4.439 16.758 9.565 1.00 0.00 C ATOM 1416 O GLN A 90 -4.951 17.858 9.355 1.00 0.00 O ATOM 1417 CB GLN A 90 -2.081 16.543 10.277 1.00 0.00 C ATOM 1418 CG GLN A 90 -1.040 16.552 11.373 1.00 0.00 C ATOM 1419 CD GLN A 90 0.343 16.282 10.833 1.00 0.00 C ATOM 1420 OE1 GLN A 90 1.076 17.198 10.444 1.00 0.00 O ATOM 1421 NE2 GLN A 90 0.702 15.031 10.788 1.00 0.00 N ATOM 0 H GLN A 90 -3.002 14.666 11.506 1.00 0.00 H new ATOM 0 HA GLN A 90 -3.698 17.367 11.463 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.927 15.661 9.656 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -1.925 17.413 9.639 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.051 17.518 11.877 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.292 15.799 12.120 1.00 0.00 H new ATOM 0 HE21 GLN A 90 0.066 14.306 11.120 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.619 14.776 10.421 1.00 0.00 H new ATOM 1430 N GLY A 91 -4.668 15.719 8.817 1.00 0.00 N ATOM 1431 CA GLY A 91 -5.341 15.859 7.556 1.00 0.00 C ATOM 1432 C GLY A 91 -4.284 15.805 6.531 1.00 0.00 C ATOM 1433 O GLY A 91 -3.747 14.733 6.270 1.00 0.00 O ATOM 0 H GLY A 91 -4.399 14.765 9.057 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.069 15.061 7.410 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.887 16.801 7.506 1.00 0.00 H new ATOM 1437 N GLY A 92 -3.955 16.930 5.939 1.00 0.00 N ATOM 1438 CA GLY A 92 -2.801 16.991 5.103 1.00 0.00 C ATOM 1439 C GLY A 92 -2.949 16.363 3.749 1.00 0.00 C ATOM 1440 O GLY A 92 -2.285 16.768 2.854 1.00 0.00 O ATOM 0 H GLY A 92 -4.473 17.805 6.026 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.525 18.037 4.971 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.973 16.506 5.620 1.00 0.00 H new ATOM 1444 N GLN A 93 -3.840 15.419 3.584 1.00 0.00 N ATOM 1445 CA GLN A 93 -3.963 14.667 2.335 1.00 0.00 C ATOM 1446 C GLN A 93 -4.244 15.539 1.121 1.00 0.00 C ATOM 1447 O GLN A 93 -3.964 15.151 -0.007 1.00 0.00 O ATOM 1448 CB GLN A 93 -4.957 13.525 2.470 1.00 0.00 C ATOM 1449 CG GLN A 93 -4.479 12.416 3.394 1.00 0.00 C ATOM 1450 CD GLN A 93 -3.086 11.933 3.033 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -2.916 11.053 2.210 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -2.086 12.489 3.668 1.00 0.00 N ATOM 0 H GLN A 93 -4.506 15.141 4.304 1.00 0.00 H new ATOM 0 HA GLN A 93 -2.982 14.230 2.147 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.902 13.918 2.844 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.154 13.106 1.483 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.482 12.775 4.423 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -5.176 11.579 3.346 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.262 13.225 4.352 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.130 12.187 3.479 1.00 0.00 H new ATOM 1461 N GLN A 94 -4.763 16.712 1.370 1.00 0.00 N ATOM 1462 CA GLN A 94 -4.981 17.696 0.335 1.00 0.00 C ATOM 1463 C GLN A 94 -3.660 18.412 -0.057 1.00 0.00 C ATOM 1464 O GLN A 94 -3.419 18.678 -1.229 1.00 0.00 O ATOM 1465 CB GLN A 94 -6.023 18.704 0.788 1.00 0.00 C ATOM 1466 CG GLN A 94 -5.667 19.408 2.086 1.00 0.00 C ATOM 1467 CD GLN A 94 -6.672 20.472 2.463 1.00 0.00 C ATOM 1468 OE1 GLN A 94 -7.314 21.085 1.597 1.00 0.00 O ATOM 1469 NE2 GLN A 94 -6.824 20.710 3.730 1.00 0.00 N ATOM 0 H GLN A 94 -5.049 17.016 2.301 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.348 17.180 -0.552 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.158 19.450 0.005 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.979 18.195 0.911 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.603 18.673 2.888 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -4.681 19.862 1.990 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -6.280 20.187 4.416 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.488 21.420 4.040 1.00 0.00 H new ATOM 1478 N GLN A 95 -2.804 18.688 0.924 1.00 0.00 N ATOM 1479 CA GLN A 95 -1.540 19.382 0.668 1.00 0.00 C ATOM 1480 C GLN A 95 -0.483 18.369 0.251 1.00 0.00 C ATOM 1481 O GLN A 95 0.264 18.564 -0.699 1.00 0.00 O ATOM 1482 CB GLN A 95 -1.077 20.176 1.911 1.00 0.00 C ATOM 1483 CG GLN A 95 -0.774 19.346 3.130 1.00 0.00 C ATOM 1484 CD GLN A 95 -0.289 20.137 4.321 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -0.742 21.350 4.457 1.00 0.00 O flip ATOM 1486 NE2 GLN A 95 0.480 19.628 5.141 1.00 0.00 N flip ATOM 0 H GLN A 95 -2.960 18.443 1.902 1.00 0.00 H new ATOM 0 HA GLN A 95 -1.690 20.099 -0.139 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.184 20.743 1.647 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.850 20.900 2.168 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.673 18.799 3.415 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.019 18.604 2.870 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.815 18.675 5.002 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.780 20.161 5.957 1.00 0.00 H new ATOM 1495 N VAL A 96 -0.491 17.268 0.970 1.00 0.00 N ATOM 1496 CA VAL A 96 0.364 16.122 0.770 1.00 0.00 C ATOM 1497 C VAL A 96 0.090 15.495 -0.587 1.00 0.00 C ATOM 1498 O VAL A 96 0.951 14.840 -1.139 1.00 0.00 O ATOM 1499 CB VAL A 96 0.169 15.069 1.930 1.00 0.00 C ATOM 1500 CG1 VAL A 96 0.931 13.783 1.690 1.00 0.00 C ATOM 1501 CG2 VAL A 96 0.580 15.664 3.273 1.00 0.00 C ATOM 0 H VAL A 96 -1.131 17.143 1.754 1.00 0.00 H new ATOM 0 HA VAL A 96 1.402 16.453 0.793 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.893 14.823 1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.759 13.098 2.520 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.587 13.324 0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.996 14.000 1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.438 14.922 4.059 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.629 15.956 3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.033 16.540 3.486 1.00 0.00 H new ATOM 1511 N GLN A 97 -1.113 15.745 -1.128 1.00 0.00 N ATOM 1512 CA GLN A 97 -1.547 15.206 -2.439 1.00 0.00 C ATOM 1513 C GLN A 97 -0.466 15.341 -3.516 1.00 0.00 C ATOM 1514 O GLN A 97 -0.135 14.373 -4.187 1.00 0.00 O ATOM 1515 CB GLN A 97 -2.816 15.906 -2.919 1.00 0.00 C ATOM 1516 CG GLN A 97 -3.307 15.414 -4.272 1.00 0.00 C ATOM 1517 CD GLN A 97 -4.576 16.107 -4.729 1.00 0.00 C ATOM 1518 OE1 GLN A 97 -5.400 16.534 -3.917 1.00 0.00 O ATOM 1519 NE2 GLN A 97 -4.742 16.237 -6.018 1.00 0.00 N ATOM 0 H GLN A 97 -1.817 16.326 -0.673 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.742 14.145 -2.284 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.604 15.759 -2.180 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.630 16.978 -2.977 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -2.526 15.572 -5.015 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.485 14.340 -4.219 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.040 15.872 -6.662 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -5.573 16.704 -6.381 1.00 0.00 H new ATOM 1528 N GLN A 98 0.120 16.523 -3.611 1.00 0.00 N ATOM 1529 CA GLN A 98 1.126 16.825 -4.631 1.00 0.00 C ATOM 1530 C GLN A 98 2.436 16.069 -4.388 1.00 0.00 C ATOM 1531 O GLN A 98 3.267 15.944 -5.280 1.00 0.00 O ATOM 1532 CB GLN A 98 1.379 18.331 -4.714 1.00 0.00 C ATOM 1533 CG GLN A 98 1.936 18.949 -3.445 1.00 0.00 C ATOM 1534 CD GLN A 98 2.096 20.451 -3.549 1.00 0.00 C ATOM 1535 OE1 GLN A 98 2.325 20.995 -4.632 1.00 0.00 O ATOM 1536 NE2 GLN A 98 1.965 21.131 -2.441 1.00 0.00 N ATOM 0 H GLN A 98 -0.084 17.303 -2.987 1.00 0.00 H new ATOM 0 HA GLN A 98 0.728 16.485 -5.587 1.00 0.00 H new ATOM 0 HB2 GLN A 98 2.073 18.525 -5.532 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.443 18.830 -4.965 1.00 0.00 H new ATOM 0 HG2 GLN A 98 1.274 18.715 -2.611 1.00 0.00 H new ATOM 0 HG3 GLN A 98 2.903 18.499 -3.221 1.00 0.00 H new ATOM 0 HE21 GLN A 98 1.776 20.646 -1.564 1.00 0.00 H new ATOM 0 HE22 GLN A 98 2.052 22.147 -2.453 1.00 0.00 H new ATOM 1545 N MET A 99 2.621 15.577 -3.195 1.00 0.00 N ATOM 1546 CA MET A 99 3.837 14.889 -2.870 1.00 0.00 C ATOM 1547 C MET A 99 3.601 13.404 -2.934 1.00 0.00 C ATOM 1548 O MET A 99 4.377 12.673 -3.509 1.00 0.00 O ATOM 1549 CB MET A 99 4.296 15.274 -1.490 1.00 0.00 C ATOM 1550 CG MET A 99 5.798 15.311 -1.326 1.00 0.00 C ATOM 1551 SD MET A 99 6.558 16.611 -2.306 1.00 0.00 S ATOM 1552 CE MET A 99 8.278 16.364 -1.905 1.00 0.00 C ATOM 0 H MET A 99 1.946 15.640 -2.433 1.00 0.00 H new ATOM 0 HA MET A 99 4.610 15.167 -3.586 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.890 16.256 -1.245 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.880 14.568 -0.771 1.00 0.00 H new ATOM 0 HG2 MET A 99 6.043 15.461 -0.275 1.00 0.00 H new ATOM 0 HG3 MET A 99 6.217 14.348 -1.617 1.00 0.00 H new ATOM 0 HE1 MET A 99 8.737 17.323 -1.663 1.00 0.00 H new ATOM 0 HE2 MET A 99 8.359 15.696 -1.047 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.791 15.922 -2.759 1.00 0.00 H new ATOM 1562 N VAL A 100 2.513 12.965 -2.363 1.00 0.00 N ATOM 1563 CA VAL A 100 2.171 11.554 -2.373 1.00 0.00 C ATOM 1564 C VAL A 100 1.855 11.066 -3.805 1.00 0.00 C ATOM 1565 O VAL A 100 2.049 9.899 -4.127 1.00 0.00 O ATOM 1566 CB VAL A 100 1.031 11.202 -1.366 1.00 0.00 C ATOM 1567 CG1 VAL A 100 -0.258 11.904 -1.705 1.00 0.00 C ATOM 1568 CG2 VAL A 100 0.821 9.703 -1.268 1.00 0.00 C ATOM 0 H VAL A 100 1.840 13.561 -1.881 1.00 0.00 H new ATOM 0 HA VAL A 100 3.051 11.012 -2.027 1.00 0.00 H new ATOM 0 HB VAL A 100 1.351 11.562 -0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.023 11.630 -0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.103 12.983 -1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.582 11.608 -2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.020 9.493 -0.559 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.550 9.309 -2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.741 9.228 -0.927 1.00 0.00 H new ATOM 1578 N LYS A 101 1.415 11.981 -4.680 1.00 0.00 N ATOM 1579 CA LYS A 101 1.187 11.643 -6.084 1.00 0.00 C ATOM 1580 C LYS A 101 2.479 11.172 -6.763 1.00 0.00 C ATOM 1581 O LYS A 101 2.435 10.394 -7.708 1.00 0.00 O ATOM 1582 CB LYS A 101 0.533 12.819 -6.842 1.00 0.00 C ATOM 1583 CG LYS A 101 1.373 14.092 -6.966 1.00 0.00 C ATOM 1584 CD LYS A 101 2.312 14.112 -8.176 1.00 0.00 C ATOM 1585 CE LYS A 101 1.531 14.223 -9.475 1.00 0.00 C ATOM 1586 NZ LYS A 101 2.415 14.337 -10.653 1.00 0.00 N ATOM 0 H LYS A 101 1.213 12.951 -4.439 1.00 0.00 H new ATOM 0 HA LYS A 101 0.487 10.808 -6.117 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.275 12.479 -7.845 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.401 13.072 -6.341 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.704 14.950 -7.026 1.00 0.00 H new ATOM 0 HG3 LYS A 101 1.965 14.212 -6.059 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.002 14.951 -8.090 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.915 13.204 -8.187 1.00 0.00 H new ATOM 0 HE2 LYS A 101 0.891 13.348 -9.587 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.876 15.093 -9.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.859 14.189 -11.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.845 15.284 -10.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.164 13.618 -10.596 1.00 0.00 H new ATOM 1600 N LYS A 102 3.627 11.629 -6.240 1.00 0.00 N ATOM 1601 CA LYS A 102 4.929 11.245 -6.748 1.00 0.00 C ATOM 1602 C LYS A 102 5.135 9.758 -6.572 1.00 0.00 C ATOM 1603 O LYS A 102 5.763 9.128 -7.390 1.00 0.00 O ATOM 1604 CB LYS A 102 6.008 11.998 -6.006 1.00 0.00 C ATOM 1605 CG LYS A 102 5.946 13.505 -6.187 1.00 0.00 C ATOM 1606 CD LYS A 102 6.800 14.220 -5.152 1.00 0.00 C ATOM 1607 CE LYS A 102 8.245 13.764 -5.171 1.00 0.00 C ATOM 1608 NZ LYS A 102 8.914 14.071 -6.457 1.00 0.00 N ATOM 0 H LYS A 102 3.666 12.276 -5.452 1.00 0.00 H new ATOM 0 HA LYS A 102 4.982 11.489 -7.809 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.933 11.767 -4.943 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.982 11.642 -6.342 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.288 13.768 -7.188 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.913 13.841 -6.104 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.760 15.294 -5.333 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.382 14.048 -4.160 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.787 14.247 -4.358 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.287 12.690 -4.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.917 13.803 -6.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.456 13.537 -7.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.839 15.090 -6.653 1.00 0.00 H new ATOM 1622 N ALA A 103 4.550 9.200 -5.514 1.00 0.00 N ATOM 1623 CA ALA A 103 4.649 7.764 -5.242 1.00 0.00 C ATOM 1624 C ALA A 103 4.030 6.964 -6.376 1.00 0.00 C ATOM 1625 O ALA A 103 4.503 5.913 -6.728 1.00 0.00 O ATOM 1626 CB ALA A 103 3.983 7.405 -3.921 1.00 0.00 C ATOM 0 H ALA A 103 4.001 9.720 -4.829 1.00 0.00 H new ATOM 0 HA ALA A 103 5.707 7.511 -5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.073 6.333 -3.748 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.469 7.946 -3.109 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.929 7.679 -3.959 1.00 0.00 H new ATOM 1632 N GLN A 104 3.022 7.521 -6.999 1.00 0.00 N ATOM 1633 CA GLN A 104 2.343 6.843 -8.091 1.00 0.00 C ATOM 1634 C GLN A 104 3.244 6.840 -9.337 1.00 0.00 C ATOM 1635 O GLN A 104 3.106 6.010 -10.232 1.00 0.00 O ATOM 1636 CB GLN A 104 1.017 7.536 -8.390 1.00 0.00 C ATOM 1637 CG GLN A 104 0.151 7.768 -7.160 1.00 0.00 C ATOM 1638 CD GLN A 104 -1.200 8.360 -7.495 1.00 0.00 C ATOM 1639 OE1 GLN A 104 -1.258 9.653 -7.622 1.00 0.00 O flip ATOM 1640 NE2 GLN A 104 -2.181 7.643 -7.685 1.00 0.00 N flip ATOM 0 H GLN A 104 2.648 8.443 -6.774 1.00 0.00 H new ATOM 0 HA GLN A 104 2.136 5.812 -7.805 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.219 8.495 -8.866 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.458 6.935 -9.108 1.00 0.00 H new ATOM 0 HG2 GLN A 104 0.008 6.822 -6.639 1.00 0.00 H new ATOM 0 HG3 GLN A 104 0.674 8.434 -6.474 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -2.102 6.632 -7.577 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -3.073 8.060 -7.951 1.00 0.00 H new ATOM 1649 N MET A 105 4.188 7.762 -9.346 1.00 0.00 N ATOM 1650 CA MET A 105 5.140 7.930 -10.435 1.00 0.00 C ATOM 1651 C MET A 105 6.396 7.122 -10.143 1.00 0.00 C ATOM 1652 O MET A 105 7.193 6.854 -11.031 1.00 0.00 O ATOM 1653 CB MET A 105 5.529 9.388 -10.550 1.00 0.00 C ATOM 1654 CG MET A 105 4.338 10.333 -10.528 1.00 0.00 C ATOM 1655 SD MET A 105 4.790 12.090 -10.580 1.00 0.00 S ATOM 1656 CE MET A 105 5.651 12.169 -12.147 1.00 0.00 C ATOM 0 H MET A 105 4.320 8.428 -8.585 1.00 0.00 H new ATOM 0 HA MET A 105 4.680 7.590 -11.363 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.201 9.643 -9.731 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.084 9.536 -11.476 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.693 10.109 -11.378 1.00 0.00 H new ATOM 0 HG3 MET A 105 3.754 10.145 -9.627 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.742 13.209 -12.460 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.645 11.735 -12.038 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.092 11.611 -12.898 1.00 0.00 H new ATOM 1666 N LEU A 106 6.560 6.740 -8.887 1.00 0.00 N ATOM 1667 CA LEU A 106 7.722 5.964 -8.427 1.00 0.00 C ATOM 1668 C LEU A 106 7.961 4.686 -9.240 1.00 0.00 C ATOM 1669 O LEU A 106 9.096 4.438 -9.642 1.00 0.00 O ATOM 1670 CB LEU A 106 7.677 5.665 -6.918 1.00 0.00 C ATOM 1671 CG LEU A 106 8.617 6.489 -6.020 1.00 0.00 C ATOM 1672 CD1 LEU A 106 8.402 7.986 -6.180 1.00 0.00 C ATOM 1673 CD2 LEU A 106 8.452 6.082 -4.570 1.00 0.00 C ATOM 0 H LEU A 106 5.893 6.956 -8.147 1.00 0.00 H new ATOM 0 HA LEU A 106 8.581 6.611 -8.605 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.655 5.818 -6.571 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.908 4.610 -6.774 1.00 0.00 H new ATOM 0 HG LEU A 106 9.637 6.275 -6.338 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.088 8.524 -5.526 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.588 8.272 -7.215 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.375 8.237 -5.913 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.123 6.673 -3.947 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.422 6.255 -4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.692 5.025 -4.459 1.00 0.00 H new ATOM 1685 N PRO A 107 6.920 3.849 -9.531 1.00 0.00 N ATOM 1686 CA PRO A 107 7.109 2.674 -10.363 1.00 0.00 C ATOM 1687 C PRO A 107 7.592 3.023 -11.770 1.00 0.00 C ATOM 1688 O PRO A 107 8.220 2.208 -12.435 1.00 0.00 O ATOM 1689 CB PRO A 107 5.738 2.004 -10.408 1.00 0.00 C ATOM 1690 CG PRO A 107 4.775 3.037 -9.954 1.00 0.00 C ATOM 1691 CD PRO A 107 5.530 3.931 -9.028 1.00 0.00 C ATOM 0 HA PRO A 107 7.882 2.024 -9.953 1.00 0.00 H new ATOM 0 HB2 PRO A 107 5.501 1.663 -11.416 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.708 1.128 -9.760 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.378 3.598 -10.800 1.00 0.00 H new ATOM 0 HG3 PRO A 107 3.925 2.581 -9.447 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.151 4.953 -9.058 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.456 3.594 -7.994 1.00 0.00 H new ATOM 1699 N ASN A 108 7.346 4.238 -12.191 1.00 0.00 N ATOM 1700 CA ASN A 108 7.752 4.690 -13.469 1.00 0.00 C ATOM 1701 C ASN A 108 9.189 5.174 -13.399 1.00 0.00 C ATOM 1702 O ASN A 108 10.051 4.730 -14.165 1.00 0.00 O ATOM 1703 CB ASN A 108 6.838 5.829 -13.892 1.00 0.00 C ATOM 1704 CG ASN A 108 5.410 5.397 -14.142 1.00 0.00 C ATOM 1705 OD1 ASN A 108 4.590 5.341 -13.219 1.00 0.00 O ATOM 1706 ND2 ASN A 108 5.092 5.118 -15.369 1.00 0.00 N ATOM 0 H ASN A 108 6.851 4.938 -11.639 1.00 0.00 H new ATOM 0 HA ASN A 108 7.689 3.880 -14.195 1.00 0.00 H new ATOM 0 HB2 ASN A 108 6.847 6.597 -13.119 1.00 0.00 H new ATOM 0 HB3 ASN A 108 7.235 6.285 -14.799 1.00 0.00 H new ATOM 0 HD21 ASN A 108 4.137 4.841 -15.598 1.00 0.00 H new ATOM 0 HD22 ASN A 108 5.797 5.176 -16.104 1.00 0.00 H new ATOM 1713 N GLN A 109 9.460 6.015 -12.413 1.00 0.00 N ATOM 1714 CA GLN A 109 10.763 6.672 -12.265 1.00 0.00 C ATOM 1715 C GLN A 109 11.851 5.722 -11.757 1.00 0.00 C ATOM 1716 O GLN A 109 13.006 5.853 -12.121 1.00 0.00 O ATOM 1717 CB GLN A 109 10.666 7.893 -11.345 1.00 0.00 C ATOM 1718 CG GLN A 109 9.617 8.913 -11.766 1.00 0.00 C ATOM 1719 CD GLN A 109 9.631 10.147 -10.893 1.00 0.00 C ATOM 1720 OE1 GLN A 109 8.968 10.204 -9.863 1.00 0.00 O ATOM 1721 NE2 GLN A 109 10.351 11.155 -11.312 1.00 0.00 N ATOM 0 H GLN A 109 8.787 6.266 -11.689 1.00 0.00 H new ATOM 0 HA GLN A 109 11.053 6.998 -13.264 1.00 0.00 H new ATOM 0 HB2 GLN A 109 10.441 7.554 -10.334 1.00 0.00 H new ATOM 0 HB3 GLN A 109 11.639 8.384 -11.308 1.00 0.00 H new ATOM 0 HG2 GLN A 109 9.791 9.202 -12.802 1.00 0.00 H new ATOM 0 HG3 GLN A 109 8.630 8.453 -11.725 1.00 0.00 H new ATOM 0 HE21 GLN A 109 10.891 11.073 -12.174 1.00 0.00 H new ATOM 0 HE22 GLN A 109 10.373 12.023 -10.777 1.00 0.00 H new ATOM 1730 N CYS A 110 11.475 4.778 -10.924 1.00 0.00 N ATOM 1731 CA CYS A 110 12.434 3.818 -10.367 1.00 0.00 C ATOM 1732 C CYS A 110 12.536 2.612 -11.294 1.00 0.00 C ATOM 1733 O CYS A 110 13.389 1.740 -11.119 1.00 0.00 O ATOM 1734 CB CYS A 110 11.971 3.386 -8.966 1.00 0.00 C ATOM 1735 SG CYS A 110 13.154 2.381 -7.978 1.00 0.00 S ATOM 0 H CYS A 110 10.514 4.645 -10.610 1.00 0.00 H new ATOM 0 HA CYS A 110 13.417 4.280 -10.282 1.00 0.00 H new ATOM 0 HB2 CYS A 110 11.728 4.283 -8.396 1.00 0.00 H new ATOM 0 HB3 CYS A 110 11.048 2.817 -9.073 1.00 0.00 H new ATOM 1740 N ASN A 111 11.663 2.599 -12.301 1.00 0.00 N ATOM 1741 CA ASN A 111 11.568 1.518 -13.280 1.00 0.00 C ATOM 1742 C ASN A 111 11.244 0.200 -12.594 1.00 0.00 C ATOM 1743 O ASN A 111 12.066 -0.719 -12.453 1.00 0.00 O ATOM 1744 CB ASN A 111 12.788 1.458 -14.222 1.00 0.00 C ATOM 1745 CG ASN A 111 12.701 0.373 -15.289 1.00 0.00 C ATOM 1746 OD1 ASN A 111 13.229 -0.722 -15.124 1.00 0.00 O ATOM 1747 ND2 ASN A 111 12.018 0.656 -16.367 1.00 0.00 N ATOM 0 H ASN A 111 10.992 3.351 -12.461 1.00 0.00 H new ATOM 0 HA ASN A 111 10.731 1.734 -13.944 1.00 0.00 H new ATOM 0 HB2 ASN A 111 12.903 2.425 -14.712 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.686 1.294 -13.626 1.00 0.00 H new ATOM 0 HD21 ASN A 111 11.912 -0.043 -17.102 1.00 0.00 H new ATOM 0 HD22 ASN A 111 11.591 1.576 -16.473 1.00 0.00 H new ATOM 1754 N LEU A 112 10.080 0.211 -12.029 1.00 0.00 N ATOM 1755 CA LEU A 112 9.514 -0.916 -11.333 1.00 0.00 C ATOM 1756 C LEU A 112 8.497 -1.596 -12.216 1.00 0.00 C ATOM 1757 O LEU A 112 7.988 -0.987 -13.155 1.00 0.00 O ATOM 1758 CB LEU A 112 8.878 -0.460 -10.025 1.00 0.00 C ATOM 1759 CG LEU A 112 9.782 0.413 -9.159 1.00 0.00 C ATOM 1760 CD1 LEU A 112 9.112 0.812 -7.850 1.00 0.00 C ATOM 1761 CD2 LEU A 112 11.111 -0.276 -8.918 1.00 0.00 C ATOM 0 H LEU A 112 9.471 1.029 -12.036 1.00 0.00 H new ATOM 0 HA LEU A 112 10.303 -1.629 -11.095 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.966 0.093 -10.251 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.584 -1.339 -9.452 1.00 0.00 H new ATOM 0 HG LEU A 112 9.970 1.338 -9.704 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.793 1.432 -7.267 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.202 1.373 -8.063 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.861 -0.084 -7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.744 0.360 -8.299 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.942 -1.225 -8.409 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.604 -0.459 -9.873 1.00 0.00 H new ATOM 1773 N GLN A 113 8.208 -2.846 -11.917 1.00 0.00 N ATOM 1774 CA GLN A 113 7.308 -3.708 -12.724 1.00 0.00 C ATOM 1775 C GLN A 113 5.827 -3.325 -12.541 1.00 0.00 C ATOM 1776 O GLN A 113 4.958 -4.193 -12.422 1.00 0.00 O ATOM 1777 CB GLN A 113 7.504 -5.163 -12.289 1.00 0.00 C ATOM 1778 CG GLN A 113 8.957 -5.566 -12.092 1.00 0.00 C ATOM 1779 CD GLN A 113 9.837 -5.301 -13.297 1.00 0.00 C ATOM 1780 OE1 GLN A 113 9.389 -5.326 -14.441 1.00 0.00 O ATOM 1781 NE2 GLN A 113 11.075 -5.005 -13.054 1.00 0.00 N ATOM 0 H GLN A 113 8.588 -3.318 -11.097 1.00 0.00 H new ATOM 0 HA GLN A 113 7.560 -3.574 -13.776 1.00 0.00 H new ATOM 0 HB2 GLN A 113 6.964 -5.327 -11.357 1.00 0.00 H new ATOM 0 HB3 GLN A 113 7.056 -5.817 -13.037 1.00 0.00 H new ATOM 0 HG2 GLN A 113 9.360 -5.027 -11.235 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.000 -6.628 -11.850 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.417 -4.993 -12.093 1.00 0.00 H new ATOM 0 HE22 GLN A 113 11.707 -4.784 -13.824 1.00 0.00 H new ATOM 1790 N CYS A 114 5.558 -2.049 -12.587 1.00 0.00 N ATOM 1791 CA CYS A 114 4.251 -1.491 -12.349 1.00 0.00 C ATOM 1792 C CYS A 114 4.199 -0.069 -12.909 1.00 0.00 C ATOM 1793 O CYS A 114 5.245 0.520 -13.225 1.00 0.00 O ATOM 1794 CB CYS A 114 3.999 -1.433 -10.843 1.00 0.00 C ATOM 1795 SG CYS A 114 3.607 -3.011 -9.995 1.00 0.00 S ATOM 0 H CYS A 114 6.264 -1.344 -12.798 1.00 0.00 H new ATOM 0 HA CYS A 114 3.496 -2.110 -12.833 1.00 0.00 H new ATOM 0 HB2 CYS A 114 4.883 -1.006 -10.369 1.00 0.00 H new ATOM 0 HB3 CYS A 114 3.176 -0.741 -10.665 1.00 0.00 H new ATOM 1800 N SER A 115 3.013 0.459 -13.057 1.00 0.00 N ATOM 1801 CA SER A 115 2.780 1.823 -13.474 1.00 0.00 C ATOM 1802 C SER A 115 1.463 2.288 -12.856 1.00 0.00 C ATOM 1803 O SER A 115 0.436 1.625 -13.020 1.00 0.00 O ATOM 1804 CB SER A 115 2.714 1.903 -15.001 1.00 0.00 C ATOM 1805 OG SER A 115 3.937 1.461 -15.592 1.00 0.00 O ATOM 0 H SER A 115 2.153 -0.062 -12.886 1.00 0.00 H new ATOM 0 HA SER A 115 3.595 2.466 -13.141 1.00 0.00 H new ATOM 0 HB2 SER A 115 1.889 1.291 -15.365 1.00 0.00 H new ATOM 0 HB3 SER A 115 2.509 2.929 -15.306 1.00 0.00 H new ATOM 0 HG SER A 115 3.869 1.520 -16.568 1.00 0.00 H new ATOM 1811 N ILE A 116 1.482 3.368 -12.113 1.00 0.00 N ATOM 1812 CA ILE A 116 0.273 3.832 -11.475 1.00 0.00 C ATOM 1813 C ILE A 116 -0.244 5.052 -12.206 1.00 0.00 C ATOM 1814 O ILE A 116 0.251 6.166 -11.979 1.00 0.00 O ATOM 1815 CB ILE A 116 0.474 4.127 -9.961 1.00 0.00 C ATOM 1816 CG1 ILE A 116 1.030 2.877 -9.255 1.00 0.00 C ATOM 1817 CG2 ILE A 116 -0.862 4.534 -9.324 1.00 0.00 C ATOM 1818 CD1 ILE A 116 1.404 3.088 -7.800 1.00 0.00 C ATOM 1819 OXT ILE A 116 -1.137 4.901 -13.055 1.00 0.00 O ATOM 0 H ILE A 116 2.310 3.937 -11.936 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.467 3.034 -11.532 1.00 0.00 H new ATOM 0 HB ILE A 116 1.184 4.946 -9.850 1.00 0.00 H new ATOM 0 HG12 ILE A 116 0.287 2.082 -9.314 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.911 2.531 -9.797 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -0.712 4.739 -8.264 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -1.242 5.429 -9.816 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.582 3.723 -9.439 1.00 0.00 H new ATOM 0 HD11 ILE A 116 1.786 2.156 -7.384 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.172 3.858 -7.730 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.523 3.402 -7.240 1.00 0.00 H new