USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 693 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 80 HIS : no HE2:sc= -0.433 X(o=-0.43,f=-0.89) USER MOD Set 1.2: A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 73 CYS SG : rot 27:sc= 0.341 USER MOD Set 2.2: A 74 ASN : amide:sc= -0.311 X(o=0.031,f=0.34) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN :FLIP amide:sc= -0.524 F(o=-1.5!,f=-0.52) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -118:sc= 0.0641 USER MOD Single : A 20 THR OG1 : rot -14:sc= 0.145 USER MOD Single : A 21 CYS SG : rot 136:sc= -1.35 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0352) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0761 USER MOD Single : A 30 GLN : amide:sc= -1.81! X(o=-1.8!,f=-1.5) USER MOD Single : A 32 LYS NZ :NH3+ 146:sc= 0.395 (180deg=-0.11) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.17) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -114:sc= -2.48 (180deg=-5.54!) USER MOD Single : A 41 CYS SG : rot -120:sc= -1.33 USER MOD Single : A 43 GLN : amide:sc= 0.129 K(o=0.13,f=-0.63) USER MOD Single : A 44 ASN : amide:sc= -2.84 K(o=-2.8,f=-11!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.411 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0527 K(o=-0.053,f=-1.3) USER MOD Single : A 89 SER OG : rot 130:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= -0.059 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.195 -12.195 -29.990 1.00 0.00 N ATOM 2 CA GLY A 1 12.056 -11.921 -28.854 1.00 0.00 C ATOM 3 C GLY A 1 11.287 -11.394 -27.658 1.00 0.00 C ATOM 4 O GLY A 1 10.616 -10.366 -27.747 1.00 0.00 O ATOM 0 H1 GLY A 1 11.767 -12.553 -30.781 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.487 -12.909 -29.725 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.713 -11.320 -30.279 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.581 -12.833 -28.571 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.814 -11.194 -29.144 1.00 0.00 H new ATOM 8 N SER A 2 11.383 -12.101 -26.537 1.00 0.00 N ATOM 9 CA SER A 2 10.687 -11.702 -25.319 1.00 0.00 C ATOM 10 C SER A 2 11.302 -10.435 -24.732 1.00 0.00 C ATOM 11 O SER A 2 10.596 -9.480 -24.411 1.00 0.00 O ATOM 12 CB SER A 2 10.732 -12.830 -24.287 1.00 0.00 C ATOM 13 OG SER A 2 10.201 -12.406 -23.044 1.00 0.00 O ATOM 0 H SER A 2 11.936 -12.953 -26.447 1.00 0.00 H new ATOM 0 HA SER A 2 9.648 -11.496 -25.575 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.166 -13.686 -24.655 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.761 -13.162 -24.152 1.00 0.00 H new ATOM 0 HG SER A 2 10.240 -13.146 -22.402 1.00 0.00 H new ATOM 19 N SER A 3 12.625 -10.436 -24.595 1.00 0.00 N ATOM 20 CA SER A 3 13.336 -9.289 -24.043 1.00 0.00 C ATOM 21 C SER A 3 13.646 -8.266 -25.132 1.00 0.00 C ATOM 22 O SER A 3 14.376 -8.553 -26.080 1.00 0.00 O ATOM 23 CB SER A 3 14.634 -9.743 -23.371 1.00 0.00 C ATOM 24 OG SER A 3 15.141 -8.737 -22.512 1.00 0.00 O ATOM 0 H SER A 3 13.225 -11.218 -24.859 1.00 0.00 H new ATOM 0 HA SER A 3 12.694 -8.818 -23.299 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.453 -10.655 -22.802 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.376 -9.984 -24.132 1.00 0.00 H new ATOM 0 HG SER A 3 15.969 -9.051 -22.093 1.00 0.00 H new ATOM 30 N GLY A 4 13.083 -7.070 -24.989 1.00 0.00 N ATOM 31 CA GLY A 4 13.310 -6.022 -25.967 1.00 0.00 C ATOM 32 C GLY A 4 12.316 -4.885 -25.839 1.00 0.00 C ATOM 33 O GLY A 4 11.451 -4.707 -26.696 1.00 0.00 O ATOM 0 H GLY A 4 12.474 -6.808 -24.214 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.321 -5.632 -25.849 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.247 -6.445 -26.970 1.00 0.00 H new ATOM 37 N SER A 5 12.438 -4.113 -24.763 1.00 0.00 N ATOM 38 CA SER A 5 11.539 -2.990 -24.523 1.00 0.00 C ATOM 39 C SER A 5 12.327 -1.722 -24.207 1.00 0.00 C ATOM 40 O SER A 5 13.442 -1.783 -23.690 1.00 0.00 O ATOM 41 CB SER A 5 10.585 -3.310 -23.371 1.00 0.00 C ATOM 42 OG SER A 5 9.805 -4.457 -23.659 1.00 0.00 O ATOM 0 H SER A 5 13.150 -4.245 -24.045 1.00 0.00 H new ATOM 0 HA SER A 5 10.959 -2.821 -25.430 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.156 -3.475 -22.457 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.931 -2.458 -23.189 1.00 0.00 H new ATOM 0 HG SER A 5 9.205 -4.642 -22.907 1.00 0.00 H new ATOM 48 N SER A 6 11.738 -0.573 -24.524 1.00 0.00 N ATOM 49 CA SER A 6 12.385 0.711 -24.279 1.00 0.00 C ATOM 50 C SER A 6 11.647 1.493 -23.197 1.00 0.00 C ATOM 51 O SER A 6 10.421 1.441 -23.104 1.00 0.00 O ATOM 52 CB SER A 6 12.443 1.532 -25.569 1.00 0.00 C ATOM 53 OG SER A 6 13.577 1.185 -26.344 1.00 0.00 O ATOM 0 H SER A 6 10.814 -0.505 -24.951 1.00 0.00 H new ATOM 0 HA SER A 6 13.401 0.518 -23.934 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.536 1.365 -26.151 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.476 2.594 -25.327 1.00 0.00 H new ATOM 0 HG SER A 6 13.590 1.722 -27.163 1.00 0.00 H new ATOM 59 N GLY A 7 12.404 2.219 -22.380 1.00 0.00 N ATOM 60 CA GLY A 7 11.805 3.003 -21.315 1.00 0.00 C ATOM 61 C GLY A 7 10.470 3.599 -21.713 1.00 0.00 C ATOM 62 O GLY A 7 10.403 4.453 -22.597 1.00 0.00 O ATOM 0 H GLY A 7 13.421 2.278 -22.436 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.670 2.373 -20.436 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.487 3.805 -21.031 1.00 0.00 H new ATOM 66 N ASN A 8 9.403 3.147 -21.062 1.00 0.00 N ATOM 67 CA ASN A 8 8.063 3.639 -21.355 1.00 0.00 C ATOM 68 C ASN A 8 7.694 4.797 -20.431 1.00 0.00 C ATOM 69 O ASN A 8 8.003 4.776 -19.240 1.00 0.00 O ATOM 70 CB ASN A 8 7.039 2.511 -21.211 1.00 0.00 C ATOM 71 CG ASN A 8 6.595 2.314 -19.774 1.00 0.00 C ATOM 72 OD1 ASN A 8 5.706 3.182 -19.305 1.00 0.00 O flip ATOM 73 ND2 ASN A 8 7.046 1.391 -19.095 1.00 0.00 N flip ATOM 0 H ASN A 8 9.441 2.440 -20.328 1.00 0.00 H new ATOM 0 HA ASN A 8 8.053 4.000 -22.383 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.170 2.732 -21.830 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.470 1.583 -21.586 1.00 0.00 H new ATOM 0 HD21 ASN A 8 7.728 0.748 -19.497 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.738 1.270 -18.130 1.00 0.00 H new ATOM 80 N ASP A 9 7.032 5.804 -20.990 1.00 0.00 N ATOM 81 CA ASP A 9 6.620 6.970 -20.217 1.00 0.00 C ATOM 82 C ASP A 9 5.361 6.668 -19.408 1.00 0.00 C ATOM 83 O ASP A 9 4.345 6.244 -19.958 1.00 0.00 O ATOM 84 CB ASP A 9 6.372 8.161 -21.143 1.00 0.00 C ATOM 85 CG ASP A 9 5.537 7.790 -22.352 1.00 0.00 C ATOM 86 OD1 ASP A 9 4.294 7.762 -22.229 1.00 0.00 O ATOM 87 OD2 ASP A 9 6.125 7.530 -23.422 1.00 0.00 O ATOM 0 H ASP A 9 6.769 5.836 -21.975 1.00 0.00 H new ATOM 0 HA ASP A 9 7.424 7.219 -19.525 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.869 8.952 -20.586 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.328 8.564 -21.476 1.00 0.00 H new ATOM 92 N ALA A 10 5.438 6.889 -18.100 1.00 0.00 N ATOM 93 CA ALA A 10 4.305 6.641 -17.216 1.00 0.00 C ATOM 94 C ALA A 10 3.512 7.920 -16.970 1.00 0.00 C ATOM 95 O ALA A 10 3.946 8.799 -16.226 1.00 0.00 O ATOM 96 CB ALA A 10 4.784 6.053 -15.897 1.00 0.00 C ATOM 0 H ALA A 10 6.272 7.239 -17.629 1.00 0.00 H new ATOM 0 HA ALA A 10 3.645 5.923 -17.703 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.928 5.873 -15.247 1.00 0.00 H new ATOM 0 HB2 ALA A 10 5.301 5.112 -16.085 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.466 6.752 -15.413 1.00 0.00 H new ATOM 102 N VAL A 11 2.346 8.018 -17.601 1.00 0.00 N ATOM 103 CA VAL A 11 1.491 9.190 -17.450 1.00 0.00 C ATOM 104 C VAL A 11 0.626 9.082 -16.200 1.00 0.00 C ATOM 105 O VAL A 11 0.405 10.069 -15.498 1.00 0.00 O ATOM 106 CB VAL A 11 0.579 9.381 -18.677 1.00 0.00 C ATOM 107 CG1 VAL A 11 -0.331 10.585 -18.484 1.00 0.00 C ATOM 108 CG2 VAL A 11 1.411 9.529 -19.941 1.00 0.00 C ATOM 0 H VAL A 11 1.972 7.300 -18.222 1.00 0.00 H new ATOM 0 HA VAL A 11 2.150 10.053 -17.358 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.048 8.495 -18.783 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.968 10.704 -19.361 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.953 10.433 -17.602 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.275 11.481 -18.351 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.751 9.663 -20.798 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.064 10.397 -19.847 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.016 8.634 -20.086 1.00 0.00 H new ATOM 118 N ASP A 12 0.140 7.876 -15.926 1.00 0.00 N ATOM 119 CA ASP A 12 -0.700 7.638 -14.758 1.00 0.00 C ATOM 120 C ASP A 12 0.151 7.428 -13.510 1.00 0.00 C ATOM 121 O ASP A 12 -0.323 6.900 -12.504 1.00 0.00 O ATOM 122 CB ASP A 12 -1.598 6.421 -14.988 1.00 0.00 C ATOM 123 CG ASP A 12 -2.819 6.752 -15.823 1.00 0.00 C ATOM 124 OD1 ASP A 12 -3.816 7.241 -15.249 1.00 0.00 O ATOM 125 OD2 ASP A 12 -2.779 6.524 -17.050 1.00 0.00 O ATOM 0 H ASP A 12 0.313 7.049 -16.497 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.325 8.518 -14.606 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.024 5.638 -15.484 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.917 6.022 -14.025 1.00 0.00 H new ATOM 130 N PHE A 13 1.411 7.844 -13.582 1.00 0.00 N ATOM 131 CA PHE A 13 2.330 7.700 -12.459 1.00 0.00 C ATOM 132 C PHE A 13 2.025 8.726 -11.372 1.00 0.00 C ATOM 133 O PHE A 13 2.255 8.479 -10.188 1.00 0.00 O ATOM 134 CB PHE A 13 3.776 7.857 -12.933 1.00 0.00 C ATOM 135 CG PHE A 13 4.773 7.908 -11.810 1.00 0.00 C ATOM 136 CD1 PHE A 13 5.014 6.789 -11.030 1.00 0.00 C ATOM 137 CD2 PHE A 13 5.467 9.075 -11.534 1.00 0.00 C ATOM 138 CE1 PHE A 13 5.931 6.832 -9.996 1.00 0.00 C ATOM 139 CE2 PHE A 13 6.385 9.124 -10.502 1.00 0.00 C ATOM 140 CZ PHE A 13 6.616 8.001 -9.731 1.00 0.00 C ATOM 0 H PHE A 13 1.819 8.284 -14.407 1.00 0.00 H new ATOM 0 HA PHE A 13 2.199 6.703 -12.040 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.026 7.026 -13.593 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.859 8.769 -13.524 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.480 5.872 -11.232 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.289 9.956 -12.132 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.111 5.952 -9.396 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.921 10.039 -10.298 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.331 8.038 -8.923 1.00 0.00 H new ATOM 150 N SER A 14 1.506 9.879 -11.783 1.00 0.00 N ATOM 151 CA SER A 14 1.173 10.945 -10.845 1.00 0.00 C ATOM 152 C SER A 14 0.065 10.504 -9.892 1.00 0.00 C ATOM 153 O SER A 14 0.227 10.501 -8.672 1.00 0.00 O ATOM 154 CB SER A 14 0.739 12.202 -11.602 1.00 0.00 C ATOM 155 OG SER A 14 -0.232 12.928 -10.870 1.00 0.00 O ATOM 0 H SER A 14 1.307 10.099 -12.759 1.00 0.00 H new ATOM 0 HA SER A 14 2.064 11.171 -10.259 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.606 12.835 -11.789 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.332 11.923 -12.574 1.00 0.00 H new ATOM 0 HG SER A 14 -0.492 13.727 -11.374 1.00 0.00 H new ATOM 161 N PRO A 15 -1.087 10.122 -10.462 1.00 0.00 N ATOM 162 CA PRO A 15 -2.244 9.672 -9.683 1.00 0.00 C ATOM 163 C PRO A 15 -2.008 8.317 -9.025 1.00 0.00 C ATOM 164 O PRO A 15 -2.910 7.748 -8.408 1.00 0.00 O ATOM 165 CB PRO A 15 -3.358 9.572 -10.729 1.00 0.00 C ATOM 166 CG PRO A 15 -2.648 9.350 -12.019 1.00 0.00 C ATOM 167 CD PRO A 15 -1.350 10.101 -11.911 1.00 0.00 C ATOM 0 HA PRO A 15 -2.472 10.351 -8.861 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.038 8.750 -10.505 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.956 10.483 -10.758 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.471 8.288 -12.190 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.241 9.714 -12.858 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.550 9.601 -12.457 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.434 11.108 -12.319 1.00 0.00 H new ATOM 175 N THR A 16 -0.789 7.803 -9.159 1.00 0.00 N ATOM 176 CA THR A 16 -0.435 6.515 -8.578 1.00 0.00 C ATOM 177 C THR A 16 0.855 6.612 -7.771 1.00 0.00 C ATOM 178 O THR A 16 1.774 7.344 -8.137 1.00 0.00 O ATOM 179 CB THR A 16 -0.267 5.435 -9.664 1.00 0.00 C ATOM 180 OG1 THR A 16 0.755 5.824 -10.588 1.00 0.00 O ATOM 181 CG2 THR A 16 -1.574 5.212 -10.411 1.00 0.00 C ATOM 0 H THR A 16 -0.031 8.260 -9.665 1.00 0.00 H new ATOM 0 HA THR A 16 -1.254 6.231 -7.917 1.00 0.00 H new ATOM 0 HB THR A 16 0.020 4.503 -9.177 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.366 5.925 -11.482 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.432 4.445 -11.173 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.343 4.888 -9.710 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.885 6.142 -10.886 1.00 0.00 H new ATOM 189 N LEU A 17 0.917 5.868 -6.672 1.00 0.00 N ATOM 190 CA LEU A 17 2.096 5.870 -5.813 1.00 0.00 C ATOM 191 C LEU A 17 2.499 4.447 -5.439 1.00 0.00 C ATOM 192 O LEU A 17 1.663 3.602 -5.120 1.00 0.00 O ATOM 193 CB LEU A 17 1.828 6.687 -4.547 1.00 0.00 C ATOM 194 CG LEU A 17 1.244 8.079 -4.786 1.00 0.00 C ATOM 195 CD1 LEU A 17 0.840 8.723 -3.469 1.00 0.00 C ATOM 196 CD2 LEU A 17 2.244 8.956 -5.525 1.00 0.00 C ATOM 0 H LEU A 17 0.165 5.256 -6.355 1.00 0.00 H new ATOM 0 HA LEU A 17 2.917 6.327 -6.365 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.143 6.127 -3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.763 6.792 -3.996 1.00 0.00 H new ATOM 0 HG LEU A 17 0.352 7.976 -5.405 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.427 9.713 -3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.089 8.105 -2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.715 8.813 -2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.812 9.944 -5.687 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.153 9.051 -4.931 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.484 8.503 -6.487 1.00 0.00 H new ATOM 208 N PRO A 18 3.812 4.175 -5.480 1.00 0.00 N ATOM 209 CA PRO A 18 4.357 2.855 -5.148 1.00 0.00 C ATOM 210 C PRO A 18 4.236 2.534 -3.662 1.00 0.00 C ATOM 211 O PRO A 18 4.901 3.150 -2.828 1.00 0.00 O ATOM 212 CB PRO A 18 5.828 2.967 -5.554 1.00 0.00 C ATOM 213 CG PRO A 18 6.134 4.422 -5.472 1.00 0.00 C ATOM 214 CD PRO A 18 4.865 5.134 -5.852 1.00 0.00 C ATOM 0 HA PRO A 18 3.821 2.053 -5.655 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.468 2.390 -4.887 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.991 2.584 -6.562 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.450 4.698 -4.466 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.948 4.688 -6.146 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.757 6.077 -5.316 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.838 5.367 -6.916 1.00 0.00 H new ATOM 222 N VAL A 19 3.384 1.567 -3.337 1.00 0.00 N ATOM 223 CA VAL A 19 3.178 1.164 -1.951 1.00 0.00 C ATOM 224 C VAL A 19 3.681 -0.255 -1.711 1.00 0.00 C ATOM 225 O VAL A 19 3.751 -1.066 -2.635 1.00 0.00 O ATOM 226 CB VAL A 19 1.691 1.244 -1.559 1.00 0.00 C ATOM 227 CG1 VAL A 19 1.158 2.653 -1.768 1.00 0.00 C ATOM 228 CG2 VAL A 19 0.876 0.233 -2.352 1.00 0.00 C ATOM 0 H VAL A 19 2.825 1.048 -4.015 1.00 0.00 H new ATOM 0 HA VAL A 19 3.747 1.857 -1.331 1.00 0.00 H new ATOM 0 HB VAL A 19 1.599 1.001 -0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.106 2.690 -1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.724 3.351 -1.151 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.262 2.929 -2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.172 0.303 -2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.973 0.443 -3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.243 -0.772 -2.145 1.00 0.00 H new ATOM 238 N THR A 20 4.029 -0.550 -0.463 1.00 0.00 N ATOM 239 CA THR A 20 4.526 -1.871 -0.100 1.00 0.00 C ATOM 240 C THR A 20 4.178 -2.213 1.344 1.00 0.00 C ATOM 241 O THR A 20 4.414 -1.417 2.254 1.00 0.00 O ATOM 242 CB THR A 20 6.052 -1.968 -0.284 1.00 0.00 C ATOM 243 OG1 THR A 20 6.698 -0.890 0.402 1.00 0.00 O ATOM 244 CG2 THR A 20 6.423 -1.931 -1.759 1.00 0.00 C ATOM 0 H THR A 20 3.976 0.109 0.314 1.00 0.00 H new ATOM 0 HA THR A 20 4.041 -2.584 -0.767 1.00 0.00 H new ATOM 0 HB THR A 20 6.386 -2.917 0.135 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.035 -0.208 0.637 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.506 -2.001 -1.864 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.954 -2.770 -2.273 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.076 -0.996 -2.198 1.00 0.00 H new ATOM 252 N CYS A 21 3.615 -3.399 1.548 1.00 0.00 N ATOM 253 CA CYS A 21 3.234 -3.845 2.883 1.00 0.00 C ATOM 254 C CYS A 21 3.922 -5.160 3.234 1.00 0.00 C ATOM 255 O CYS A 21 3.521 -6.226 2.768 1.00 0.00 O ATOM 256 CB CYS A 21 1.716 -4.010 2.974 1.00 0.00 C ATOM 257 SG CYS A 21 1.117 -4.423 4.629 1.00 0.00 S ATOM 0 H CYS A 21 3.412 -4.069 0.806 1.00 0.00 H new ATOM 0 HA CYS A 21 3.554 -3.087 3.598 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.240 -3.085 2.647 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.404 -4.791 2.281 1.00 0.00 H new ATOM 0 HG CYS A 21 0.067 -3.706 4.902 1.00 0.00 H new ATOM 263 N GLY A 22 4.963 -5.077 4.057 1.00 0.00 N ATOM 264 CA GLY A 22 5.691 -6.267 4.455 1.00 0.00 C ATOM 265 C GLY A 22 6.262 -7.021 3.270 1.00 0.00 C ATOM 266 O GLY A 22 7.208 -6.562 2.629 1.00 0.00 O ATOM 0 H GLY A 22 5.315 -4.206 4.455 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.501 -5.985 5.127 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.027 -6.925 5.015 1.00 0.00 H new ATOM 270 N LYS A 23 5.687 -8.182 2.976 1.00 0.00 N ATOM 271 CA LYS A 23 6.144 -9.002 1.861 1.00 0.00 C ATOM 272 C LYS A 23 5.255 -8.800 0.638 1.00 0.00 C ATOM 273 O LYS A 23 5.278 -9.601 -0.297 1.00 0.00 O ATOM 274 CB LYS A 23 6.154 -10.480 2.258 1.00 0.00 C ATOM 275 CG LYS A 23 4.785 -11.019 2.634 1.00 0.00 C ATOM 276 CD LYS A 23 4.874 -12.431 3.188 1.00 0.00 C ATOM 277 CE LYS A 23 4.905 -13.465 2.073 1.00 0.00 C ATOM 278 NZ LYS A 23 5.236 -14.824 2.586 1.00 0.00 N ATOM 0 H LYS A 23 4.903 -8.576 3.495 1.00 0.00 H new ATOM 0 HA LYS A 23 7.158 -8.693 1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.551 -11.067 1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.833 -10.617 3.100 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.327 -10.365 3.375 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.137 -11.011 1.758 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.771 -12.527 3.800 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.021 -12.622 3.840 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.936 -13.491 1.575 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.641 -13.170 1.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.247 -15.500 1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.172 -14.806 3.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.520 -15.116 3.282 1.00 0.00 H new ATOM 292 N ALA A 24 4.474 -7.725 0.650 1.00 0.00 N ATOM 293 CA ALA A 24 3.581 -7.417 -0.459 1.00 0.00 C ATOM 294 C ALA A 24 3.976 -6.108 -1.135 1.00 0.00 C ATOM 295 O ALA A 24 4.471 -5.187 -0.486 1.00 0.00 O ATOM 296 CB ALA A 24 2.140 -7.348 0.026 1.00 0.00 C ATOM 0 H ALA A 24 4.442 -7.053 1.416 1.00 0.00 H new ATOM 0 HA ALA A 24 3.667 -8.217 -1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.484 -7.117 -0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.855 -8.308 0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.048 -6.569 0.783 1.00 0.00 H new ATOM 302 N LYS A 25 3.756 -6.033 -2.443 1.00 0.00 N ATOM 303 CA LYS A 25 4.088 -4.837 -3.209 1.00 0.00 C ATOM 304 C LYS A 25 2.997 -4.522 -4.226 1.00 0.00 C ATOM 305 O LYS A 25 2.494 -5.413 -4.908 1.00 0.00 O ATOM 306 CB LYS A 25 5.429 -5.021 -3.923 1.00 0.00 C ATOM 307 CG LYS A 25 6.569 -5.393 -2.991 1.00 0.00 C ATOM 308 CD LYS A 25 7.693 -6.092 -3.736 1.00 0.00 C ATOM 309 CE LYS A 25 8.518 -5.108 -4.552 1.00 0.00 C ATOM 310 NZ LYS A 25 9.423 -4.296 -3.693 1.00 0.00 N ATOM 0 H LYS A 25 3.349 -6.787 -2.996 1.00 0.00 H new ATOM 0 HA LYS A 25 4.164 -4.000 -2.515 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.324 -5.796 -4.682 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.683 -4.098 -4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.954 -4.494 -2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.196 -6.044 -2.200 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.338 -6.606 -3.024 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.276 -6.853 -4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.109 -5.653 -5.289 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.851 -4.446 -5.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.062 -3.737 -4.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.857 -3.656 -3.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.983 -4.927 -3.085 1.00 0.00 H new ATOM 324 N GLY A 26 2.636 -3.245 -4.324 1.00 0.00 N ATOM 325 CA GLY A 26 1.608 -2.835 -5.263 1.00 0.00 C ATOM 326 C GLY A 26 1.681 -1.358 -5.594 1.00 0.00 C ATOM 327 O GLY A 26 2.755 -0.756 -5.550 1.00 0.00 O ATOM 0 H GLY A 26 3.037 -2.488 -3.770 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.706 -3.415 -6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.627 -3.063 -4.845 1.00 0.00 H new ATOM 331 N THR A 27 0.537 -0.770 -5.928 1.00 0.00 N ATOM 332 CA THR A 27 0.476 0.645 -6.271 1.00 0.00 C ATOM 333 C THR A 27 -0.891 1.233 -5.937 1.00 0.00 C ATOM 334 O THR A 27 -1.922 0.706 -6.353 1.00 0.00 O ATOM 335 CB THR A 27 0.769 0.874 -7.765 1.00 0.00 C ATOM 336 OG1 THR A 27 1.993 0.226 -8.129 1.00 0.00 O ATOM 337 CG2 THR A 27 0.865 2.360 -8.077 1.00 0.00 C ATOM 0 H THR A 27 -0.361 -1.252 -5.968 1.00 0.00 H new ATOM 0 HA THR A 27 1.240 1.147 -5.677 1.00 0.00 H new ATOM 0 HB THR A 27 -0.053 0.450 -8.342 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.172 0.375 -9.081 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.073 2.496 -9.138 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.078 2.846 -7.826 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.669 2.804 -7.490 1.00 0.00 H new ATOM 345 N LEU A 28 -0.890 2.329 -5.185 1.00 0.00 N ATOM 346 CA LEU A 28 -2.131 2.989 -4.796 1.00 0.00 C ATOM 347 C LEU A 28 -2.543 4.028 -5.834 1.00 0.00 C ATOM 348 O LEU A 28 -1.716 4.803 -6.315 1.00 0.00 O ATOM 349 CB LEU A 28 -1.971 3.654 -3.427 1.00 0.00 C ATOM 350 CG LEU A 28 -3.067 4.655 -3.061 1.00 0.00 C ATOM 351 CD1 LEU A 28 -4.199 3.962 -2.320 1.00 0.00 C ATOM 352 CD2 LEU A 28 -2.494 5.789 -2.223 1.00 0.00 C ATOM 0 H LEU A 28 -0.045 2.778 -4.833 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.913 2.232 -4.736 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.941 2.876 -2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.009 4.166 -3.399 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.469 5.077 -3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.969 4.691 -2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.628 3.186 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.813 3.511 -1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.288 6.492 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.065 5.383 -1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.719 6.304 -2.790 1.00 0.00 H new ATOM 364 N PHE A 29 -3.827 4.038 -6.175 1.00 0.00 N ATOM 365 CA PHE A 29 -4.350 4.981 -7.157 1.00 0.00 C ATOM 366 C PHE A 29 -5.295 5.983 -6.500 1.00 0.00 C ATOM 367 O PHE A 29 -6.450 5.667 -6.216 1.00 0.00 O ATOM 368 CB PHE A 29 -5.078 4.233 -8.276 1.00 0.00 C ATOM 369 CG PHE A 29 -4.174 3.368 -9.106 1.00 0.00 C ATOM 370 CD1 PHE A 29 -3.419 2.367 -8.516 1.00 0.00 C ATOM 371 CD2 PHE A 29 -4.081 3.554 -10.475 1.00 0.00 C ATOM 372 CE1 PHE A 29 -2.586 1.569 -9.278 1.00 0.00 C ATOM 373 CE2 PHE A 29 -3.249 2.759 -11.242 1.00 0.00 C ATOM 374 CZ PHE A 29 -2.502 1.765 -10.643 1.00 0.00 C ATOM 0 H PHE A 29 -4.525 3.404 -5.786 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.509 5.528 -7.583 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.860 3.612 -7.838 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.571 4.957 -8.925 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.482 2.209 -7.450 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.665 4.329 -10.949 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.001 0.793 -8.807 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.184 2.916 -12.309 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.853 1.142 -11.240 1.00 0.00 H new ATOM 384 N GLN A 30 -4.794 7.191 -6.261 1.00 0.00 N ATOM 385 CA GLN A 30 -5.593 8.238 -5.636 1.00 0.00 C ATOM 386 C GLN A 30 -6.990 8.294 -6.246 1.00 0.00 C ATOM 387 O GLN A 30 -7.983 8.431 -5.533 1.00 0.00 O ATOM 388 CB GLN A 30 -4.903 9.595 -5.789 1.00 0.00 C ATOM 389 CG GLN A 30 -3.386 9.514 -5.741 1.00 0.00 C ATOM 390 CD GLN A 30 -2.737 10.863 -5.502 1.00 0.00 C ATOM 391 OE1 GLN A 30 -2.610 11.675 -6.419 1.00 0.00 O ATOM 392 NE2 GLN A 30 -2.322 11.110 -4.265 1.00 0.00 N ATOM 0 H GLN A 30 -3.840 7.468 -6.491 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.688 8.003 -4.576 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.205 10.042 -6.736 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.248 10.260 -4.998 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.088 8.826 -4.950 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.018 9.099 -6.680 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.447 10.408 -3.535 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.878 12.001 -4.044 1.00 0.00 H new ATOM 401 N GLU A 31 -7.058 8.187 -7.569 1.00 0.00 N ATOM 402 CA GLU A 31 -8.334 8.227 -8.274 1.00 0.00 C ATOM 403 C GLU A 31 -9.270 7.133 -7.767 1.00 0.00 C ATOM 404 O GLU A 31 -10.456 7.371 -7.541 1.00 0.00 O ATOM 405 CB GLU A 31 -8.115 8.068 -9.780 1.00 0.00 C ATOM 406 CG GLU A 31 -7.508 6.731 -10.170 1.00 0.00 C ATOM 407 CD GLU A 31 -7.279 6.608 -11.664 1.00 0.00 C ATOM 408 OE1 GLU A 31 -6.967 7.634 -12.303 1.00 0.00 O ATOM 409 OE2 GLU A 31 -7.411 5.484 -12.192 1.00 0.00 O ATOM 0 H GLU A 31 -6.245 8.072 -8.174 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.796 9.195 -8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.070 8.187 -10.292 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.464 8.869 -10.130 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.560 6.601 -9.649 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.166 5.927 -9.840 1.00 0.00 H new ATOM 416 N LYS A 32 -8.727 5.933 -7.591 1.00 0.00 N ATOM 417 CA LYS A 32 -9.511 4.801 -7.111 1.00 0.00 C ATOM 418 C LYS A 32 -9.607 4.814 -5.588 1.00 0.00 C ATOM 419 O LYS A 32 -10.378 4.056 -5.000 1.00 0.00 O ATOM 420 CB LYS A 32 -8.887 3.486 -7.582 1.00 0.00 C ATOM 421 CG LYS A 32 -9.367 3.041 -8.953 1.00 0.00 C ATOM 422 CD LYS A 32 -8.370 2.108 -9.618 1.00 0.00 C ATOM 423 CE LYS A 32 -8.787 1.768 -11.040 1.00 0.00 C ATOM 424 NZ LYS A 32 -8.729 2.958 -11.935 1.00 0.00 N ATOM 0 H LYS A 32 -7.747 5.719 -7.774 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.517 4.886 -7.522 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.803 3.596 -7.604 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.114 2.705 -6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.329 2.538 -8.857 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.526 3.915 -9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.385 2.574 -9.628 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.283 1.192 -9.034 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.136 0.987 -11.432 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.800 1.366 -11.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.448 2.660 -12.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.665 3.409 -11.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.033 3.637 -11.565 1.00 0.00 H new ATOM 438 N LEU A 33 -8.822 5.680 -4.957 1.00 0.00 N ATOM 439 CA LEU A 33 -8.821 5.792 -3.503 1.00 0.00 C ATOM 440 C LEU A 33 -9.903 6.756 -3.030 1.00 0.00 C ATOM 441 O LEU A 33 -10.442 6.614 -1.933 1.00 0.00 O ATOM 442 CB LEU A 33 -7.451 6.262 -3.009 1.00 0.00 C ATOM 443 CG LEU A 33 -7.260 6.219 -1.493 1.00 0.00 C ATOM 444 CD1 LEU A 33 -7.240 4.781 -0.997 1.00 0.00 C ATOM 445 CD2 LEU A 33 -5.979 6.938 -1.096 1.00 0.00 C ATOM 0 H LEU A 33 -8.178 6.315 -5.429 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.032 4.807 -3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.683 5.645 -3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.289 7.284 -3.351 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.101 6.731 -1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.103 4.771 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.184 4.296 -1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.419 4.244 -1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.859 6.897 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.127 6.454 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.032 7.979 -1.416 1.00 0.00 H new ATOM 457 N LYS A 34 -10.217 7.740 -3.867 1.00 0.00 N ATOM 458 CA LYS A 34 -11.237 8.729 -3.537 1.00 0.00 C ATOM 459 C LYS A 34 -12.585 8.060 -3.290 1.00 0.00 C ATOM 460 O LYS A 34 -13.298 8.411 -2.350 1.00 0.00 O ATOM 461 CB LYS A 34 -11.364 9.755 -4.666 1.00 0.00 C ATOM 462 CG LYS A 34 -10.146 10.649 -4.816 1.00 0.00 C ATOM 463 CD LYS A 34 -10.483 11.932 -5.556 1.00 0.00 C ATOM 464 CE LYS A 34 -9.478 13.032 -5.251 1.00 0.00 C ATOM 465 NZ LYS A 34 -9.885 13.844 -4.071 1.00 0.00 N ATOM 0 H LYS A 34 -9.780 7.874 -4.779 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.932 9.238 -2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.536 9.229 -5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.240 10.377 -4.483 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.747 10.890 -3.831 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.364 10.113 -5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.500 11.741 -6.629 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.483 12.263 -5.275 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.499 12.589 -5.067 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.375 13.681 -6.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.174 14.583 -3.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.807 14.288 -4.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.958 13.229 -3.235 1.00 0.00 H new ATOM 479 N GLN A 35 -12.925 7.094 -4.137 1.00 0.00 N ATOM 480 CA GLN A 35 -14.188 6.376 -4.008 1.00 0.00 C ATOM 481 C GLN A 35 -14.352 5.813 -2.600 1.00 0.00 C ATOM 482 O GLN A 35 -15.421 5.917 -2.000 1.00 0.00 O ATOM 483 CB GLN A 35 -14.262 5.244 -5.035 1.00 0.00 C ATOM 484 CG GLN A 35 -14.068 5.710 -6.469 1.00 0.00 C ATOM 485 CD GLN A 35 -14.664 7.080 -6.723 1.00 0.00 C ATOM 486 OE1 GLN A 35 -15.884 7.240 -6.771 1.00 0.00 O ATOM 487 NE2 GLN A 35 -13.805 8.079 -6.887 1.00 0.00 N ATOM 0 H GLN A 35 -12.345 6.791 -4.919 1.00 0.00 H new ATOM 0 HA GLN A 35 -14.999 7.080 -4.195 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.502 4.499 -4.798 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.230 4.750 -4.950 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.003 5.733 -6.698 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.524 4.988 -7.146 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.802 7.902 -6.839 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.148 9.024 -7.061 1.00 0.00 H new ATOM 496 N GLY A 36 -13.285 5.215 -2.079 1.00 0.00 N ATOM 497 CA GLY A 36 -13.333 4.643 -0.745 1.00 0.00 C ATOM 498 C GLY A 36 -12.219 3.645 -0.503 1.00 0.00 C ATOM 499 O GLY A 36 -12.045 2.700 -1.271 1.00 0.00 O ATOM 0 H GLY A 36 -12.389 5.116 -2.556 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.267 5.443 -0.007 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.295 4.152 -0.598 1.00 0.00 H new ATOM 503 N ALA A 37 -11.461 3.855 0.569 1.00 0.00 N ATOM 504 CA ALA A 37 -10.358 2.965 0.911 1.00 0.00 C ATOM 505 C ALA A 37 -10.770 1.503 0.776 1.00 0.00 C ATOM 506 O ALA A 37 -9.953 0.647 0.438 1.00 0.00 O ATOM 507 CB ALA A 37 -9.868 3.250 2.323 1.00 0.00 C ATOM 0 H ALA A 37 -11.591 4.634 1.215 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.543 3.151 0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.044 2.578 2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.525 4.283 2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.683 3.094 3.030 1.00 0.00 H new ATOM 513 N SER A 38 -12.042 1.225 1.044 1.00 0.00 N ATOM 514 CA SER A 38 -12.561 -0.135 0.957 1.00 0.00 C ATOM 515 C SER A 38 -12.450 -0.669 -0.468 1.00 0.00 C ATOM 516 O SER A 38 -12.157 -1.845 -0.682 1.00 0.00 O ATOM 517 CB SER A 38 -14.019 -0.177 1.418 1.00 0.00 C ATOM 518 OG SER A 38 -14.141 0.253 2.762 1.00 0.00 O ATOM 0 H SER A 38 -12.732 1.923 1.323 1.00 0.00 H new ATOM 0 HA SER A 38 -11.962 -0.769 1.611 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.626 0.458 0.773 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.405 -1.192 1.321 1.00 0.00 H new ATOM 0 HG SER A 38 -15.082 0.219 3.032 1.00 0.00 H new ATOM 524 N LYS A 39 -12.687 0.205 -1.440 1.00 0.00 N ATOM 525 CA LYS A 39 -12.614 -0.175 -2.846 1.00 0.00 C ATOM 526 C LYS A 39 -11.193 -0.575 -3.228 1.00 0.00 C ATOM 527 O LYS A 39 -10.221 -0.059 -2.674 1.00 0.00 O ATOM 528 CB LYS A 39 -13.086 0.979 -3.733 1.00 0.00 C ATOM 529 CG LYS A 39 -14.579 1.243 -3.645 1.00 0.00 C ATOM 530 CD LYS A 39 -15.132 1.767 -4.960 1.00 0.00 C ATOM 531 CE LYS A 39 -16.555 2.281 -4.801 1.00 0.00 C ATOM 532 NZ LYS A 39 -17.312 2.219 -6.082 1.00 0.00 N ATOM 0 H LYS A 39 -12.932 1.182 -1.280 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.268 -1.033 -2.999 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.548 1.885 -3.453 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.825 0.761 -4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.096 0.323 -3.373 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.775 1.966 -2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.494 2.569 -5.331 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.112 0.973 -5.707 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.072 1.691 -4.044 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.532 3.310 -4.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.277 2.578 -5.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.833 2.802 -6.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.356 1.234 -6.412 1.00 0.00 H new ATOM 546 N LYS A 40 -11.077 -1.496 -4.179 1.00 0.00 N ATOM 547 CA LYS A 40 -9.775 -1.964 -4.638 1.00 0.00 C ATOM 548 C LYS A 40 -9.027 -0.857 -5.374 1.00 0.00 C ATOM 549 O LYS A 40 -9.360 -0.521 -6.511 1.00 0.00 O ATOM 550 CB LYS A 40 -9.940 -3.179 -5.554 1.00 0.00 C ATOM 551 CG LYS A 40 -10.877 -4.237 -4.998 1.00 0.00 C ATOM 552 CD LYS A 40 -10.139 -5.225 -4.110 1.00 0.00 C ATOM 553 CE LYS A 40 -11.023 -6.404 -3.733 1.00 0.00 C ATOM 554 NZ LYS A 40 -12.303 -5.961 -3.113 1.00 0.00 N ATOM 0 H LYS A 40 -11.871 -1.933 -4.647 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.192 -2.253 -3.763 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.315 -2.846 -6.522 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.962 -3.627 -5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.672 -3.757 -4.427 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.353 -4.771 -5.820 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.250 -5.586 -4.627 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.799 -4.720 -3.206 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.236 -6.997 -4.622 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.488 -7.052 -3.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.331 -6.266 -2.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.370 -4.924 -3.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.102 -6.383 -3.627 1.00 0.00 H new ATOM 568 N CYS A 41 -8.017 -0.295 -4.719 1.00 0.00 N ATOM 569 CA CYS A 41 -7.222 0.774 -5.313 1.00 0.00 C ATOM 570 C CYS A 41 -5.765 0.349 -5.463 1.00 0.00 C ATOM 571 O CYS A 41 -5.041 0.868 -6.313 1.00 0.00 O ATOM 572 CB CYS A 41 -7.311 2.039 -4.458 1.00 0.00 C ATOM 573 SG CYS A 41 -6.869 1.790 -2.722 1.00 0.00 S ATOM 0 H CYS A 41 -7.729 -0.561 -3.777 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.624 0.985 -6.304 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.655 2.799 -4.883 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.327 2.429 -4.511 1.00 0.00 H new ATOM 0 HG CYS A 41 -7.881 2.102 -1.968 1.00 0.00 H new ATOM 579 N ILE A 42 -5.341 -0.597 -4.631 1.00 0.00 N ATOM 580 CA ILE A 42 -3.971 -1.091 -4.671 1.00 0.00 C ATOM 581 C ILE A 42 -3.824 -2.223 -5.683 1.00 0.00 C ATOM 582 O ILE A 42 -4.340 -3.321 -5.479 1.00 0.00 O ATOM 583 CB ILE A 42 -3.512 -1.591 -3.289 1.00 0.00 C ATOM 584 CG1 ILE A 42 -3.591 -0.459 -2.261 1.00 0.00 C ATOM 585 CG2 ILE A 42 -2.096 -2.143 -3.368 1.00 0.00 C ATOM 586 CD1 ILE A 42 -3.259 -0.898 -0.852 1.00 0.00 C ATOM 0 H ILE A 42 -5.927 -1.036 -3.921 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.342 -0.253 -4.972 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.177 -2.394 -2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.907 0.337 -2.556 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.596 -0.037 -2.274 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.786 -2.492 -2.383 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.068 -2.974 -4.073 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.418 -1.359 -3.705 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.335 -0.045 -0.178 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.959 -1.673 -0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.244 -1.293 -0.824 1.00 0.00 H new ATOM 598 N GLN A 43 -3.114 -1.947 -6.772 1.00 0.00 N ATOM 599 CA GLN A 43 -2.898 -2.943 -7.815 1.00 0.00 C ATOM 600 C GLN A 43 -1.522 -3.586 -7.677 1.00 0.00 C ATOM 601 O GLN A 43 -0.499 -2.907 -7.753 1.00 0.00 O ATOM 602 CB GLN A 43 -3.039 -2.303 -9.197 1.00 0.00 C ATOM 603 CG GLN A 43 -3.433 -3.288 -10.286 1.00 0.00 C ATOM 604 CD GLN A 43 -3.372 -2.680 -11.673 1.00 0.00 C ATOM 605 OE1 GLN A 43 -2.460 -1.915 -11.989 1.00 0.00 O ATOM 606 NE2 GLN A 43 -4.346 -3.016 -12.511 1.00 0.00 N ATOM 0 H GLN A 43 -2.679 -1.043 -6.955 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.654 -3.720 -7.703 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.786 -1.511 -9.147 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.094 -1.833 -9.469 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.772 -4.154 -10.244 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.444 -3.649 -10.096 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -5.082 -3.653 -12.208 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.358 -2.637 -13.458 1.00 0.00 H new ATOM 615 N ASN A 44 -1.506 -4.899 -7.473 1.00 0.00 N ATOM 616 CA ASN A 44 -0.255 -5.634 -7.323 1.00 0.00 C ATOM 617 C ASN A 44 0.378 -5.914 -8.683 1.00 0.00 C ATOM 618 O ASN A 44 -0.181 -5.563 -9.722 1.00 0.00 O ATOM 619 CB ASN A 44 -0.498 -6.950 -6.581 1.00 0.00 C ATOM 620 CG ASN A 44 -0.951 -8.061 -7.508 1.00 0.00 C ATOM 621 OD1 ASN A 44 -0.242 -9.049 -7.703 1.00 0.00 O ATOM 622 ND2 ASN A 44 -2.137 -7.905 -8.084 1.00 0.00 N ATOM 0 H ASN A 44 -2.345 -5.476 -7.408 1.00 0.00 H new ATOM 0 HA ASN A 44 0.432 -5.018 -6.742 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.419 -7.254 -6.075 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.252 -6.795 -5.809 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.495 -8.620 -8.717 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.691 -7.070 -7.893 1.00 0.00 H new ATOM 629 N GLU A 45 1.546 -6.548 -8.666 1.00 0.00 N ATOM 630 CA GLU A 45 2.254 -6.874 -9.898 1.00 0.00 C ATOM 631 C GLU A 45 1.372 -7.698 -10.832 1.00 0.00 C ATOM 632 O GLU A 45 1.480 -7.599 -12.053 1.00 0.00 O ATOM 633 CB GLU A 45 3.541 -7.642 -9.585 1.00 0.00 C ATOM 634 CG GLU A 45 4.453 -6.925 -8.604 1.00 0.00 C ATOM 635 CD GLU A 45 5.445 -6.008 -9.293 1.00 0.00 C ATOM 636 OE1 GLU A 45 5.002 -5.063 -9.979 1.00 0.00 O ATOM 637 OE2 GLU A 45 6.664 -6.235 -9.146 1.00 0.00 O ATOM 0 H GLU A 45 2.021 -6.846 -7.814 1.00 0.00 H new ATOM 0 HA GLU A 45 2.509 -5.939 -10.398 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.281 -8.620 -9.179 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.085 -7.817 -10.513 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.847 -6.343 -7.910 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.996 -7.662 -8.013 1.00 0.00 H new ATOM 644 N ALA A 46 0.500 -8.512 -10.246 1.00 0.00 N ATOM 645 CA ALA A 46 -0.402 -9.352 -11.023 1.00 0.00 C ATOM 646 C ALA A 46 -1.541 -8.531 -11.620 1.00 0.00 C ATOM 647 O ALA A 46 -2.400 -9.062 -12.322 1.00 0.00 O ATOM 648 CB ALA A 46 -0.956 -10.475 -10.158 1.00 0.00 C ATOM 0 H ALA A 46 0.399 -8.607 -9.235 1.00 0.00 H new ATOM 0 HA ALA A 46 0.166 -9.788 -11.845 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.628 -11.094 -10.752 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.134 -11.086 -9.785 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.503 -10.050 -9.316 1.00 0.00 H new ATOM 654 N GLY A 47 -1.540 -7.233 -11.334 1.00 0.00 N ATOM 655 CA GLY A 47 -2.578 -6.359 -11.849 1.00 0.00 C ATOM 656 C GLY A 47 -3.862 -6.449 -11.048 1.00 0.00 C ATOM 657 O GLY A 47 -4.717 -5.567 -11.132 1.00 0.00 O ATOM 0 H GLY A 47 -0.839 -6.771 -10.755 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.219 -5.330 -11.840 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.783 -6.616 -12.888 1.00 0.00 H new ATOM 661 N ASP A 48 -3.999 -7.517 -10.270 1.00 0.00 N ATOM 662 CA ASP A 48 -5.188 -7.719 -9.451 1.00 0.00 C ATOM 663 C ASP A 48 -5.267 -6.675 -8.342 1.00 0.00 C ATOM 664 O ASP A 48 -4.426 -6.644 -7.443 1.00 0.00 O ATOM 665 CB ASP A 48 -5.184 -9.124 -8.846 1.00 0.00 C ATOM 666 CG ASP A 48 -5.374 -10.205 -9.892 1.00 0.00 C ATOM 667 OD1 ASP A 48 -6.498 -10.324 -10.424 1.00 0.00 O ATOM 668 OD2 ASP A 48 -4.400 -10.933 -10.177 1.00 0.00 O ATOM 0 H ASP A 48 -3.301 -8.256 -10.189 1.00 0.00 H new ATOM 0 HA ASP A 48 -6.063 -7.610 -10.091 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.241 -9.289 -8.324 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.977 -9.199 -8.102 1.00 0.00 H new ATOM 673 N TRP A 49 -6.282 -5.821 -8.412 1.00 0.00 N ATOM 674 CA TRP A 49 -6.471 -4.774 -7.414 1.00 0.00 C ATOM 675 C TRP A 49 -6.793 -5.374 -6.050 1.00 0.00 C ATOM 676 O TRP A 49 -7.328 -6.479 -5.958 1.00 0.00 O ATOM 677 CB TRP A 49 -7.590 -3.826 -7.845 1.00 0.00 C ATOM 678 CG TRP A 49 -7.348 -3.188 -9.180 1.00 0.00 C ATOM 679 CD1 TRP A 49 -7.555 -3.751 -10.407 1.00 0.00 C ATOM 680 CD2 TRP A 49 -6.850 -1.867 -9.421 1.00 0.00 C ATOM 681 NE1 TRP A 49 -7.216 -2.860 -11.396 1.00 0.00 N ATOM 682 CE2 TRP A 49 -6.782 -1.697 -10.817 1.00 0.00 C ATOM 683 CE3 TRP A 49 -6.458 -0.812 -8.593 1.00 0.00 C ATOM 684 CZ2 TRP A 49 -6.336 -0.514 -11.401 1.00 0.00 C ATOM 685 CZ3 TRP A 49 -6.016 0.361 -9.174 1.00 0.00 C ATOM 686 CH2 TRP A 49 -5.959 0.503 -10.567 1.00 0.00 C ATOM 0 H TRP A 49 -6.987 -5.833 -9.149 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.540 -4.212 -7.332 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.530 -4.377 -7.879 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.705 -3.045 -7.093 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -7.930 -4.750 -10.575 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.277 -3.036 -12.399 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.500 -0.912 -7.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -6.289 -0.403 -12.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.709 1.183 -8.544 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.611 1.433 -10.991 1.00 0.00 H new ATOM 697 N LEU A 50 -6.465 -4.639 -4.993 1.00 0.00 N ATOM 698 CA LEU A 50 -6.720 -5.100 -3.632 1.00 0.00 C ATOM 699 C LEU A 50 -7.181 -3.947 -2.746 1.00 0.00 C ATOM 700 O LEU A 50 -6.688 -2.825 -2.860 1.00 0.00 O ATOM 701 CB LEU A 50 -5.460 -5.740 -3.044 1.00 0.00 C ATOM 702 CG LEU A 50 -4.857 -6.868 -3.880 1.00 0.00 C ATOM 703 CD1 LEU A 50 -3.357 -6.963 -3.648 1.00 0.00 C ATOM 704 CD2 LEU A 50 -5.533 -8.192 -3.553 1.00 0.00 C ATOM 0 H LEU A 50 -6.022 -3.722 -5.052 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.514 -5.846 -3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.706 -4.965 -2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.697 -6.129 -2.054 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.027 -6.644 -4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.946 -7.772 -4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.885 -6.022 -3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.164 -7.163 -2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.092 -8.985 -4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.394 -8.421 -2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.599 -8.120 -3.771 1.00 0.00 H new ATOM 716 N THR A 51 -8.131 -4.233 -1.861 1.00 0.00 N ATOM 717 CA THR A 51 -8.661 -3.222 -0.955 1.00 0.00 C ATOM 718 C THR A 51 -7.621 -2.814 0.083 1.00 0.00 C ATOM 719 O THR A 51 -6.847 -3.644 0.560 1.00 0.00 O ATOM 720 CB THR A 51 -9.924 -3.723 -0.229 1.00 0.00 C ATOM 721 OG1 THR A 51 -9.600 -4.844 0.600 1.00 0.00 O ATOM 722 CG2 THR A 51 -11.000 -4.119 -1.229 1.00 0.00 C ATOM 0 H THR A 51 -8.549 -5.157 -1.753 1.00 0.00 H new ATOM 0 HA THR A 51 -8.921 -2.357 -1.565 1.00 0.00 H new ATOM 0 HB THR A 51 -10.307 -2.912 0.391 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.408 -5.155 1.059 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.883 -4.470 -0.694 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.265 -3.256 -1.839 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.625 -4.916 -1.871 1.00 0.00 H new ATOM 730 N VAL A 52 -7.608 -1.531 0.429 1.00 0.00 N ATOM 731 CA VAL A 52 -6.664 -1.013 1.412 1.00 0.00 C ATOM 732 C VAL A 52 -6.428 -2.021 2.531 1.00 0.00 C ATOM 733 O VAL A 52 -5.359 -2.050 3.141 1.00 0.00 O ATOM 734 CB VAL A 52 -7.160 0.310 2.024 1.00 0.00 C ATOM 735 CG1 VAL A 52 -6.190 0.804 3.087 1.00 0.00 C ATOM 736 CG2 VAL A 52 -7.355 1.358 0.940 1.00 0.00 C ATOM 0 H VAL A 52 -8.241 -0.831 0.043 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.727 -0.832 0.886 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.123 0.131 2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.557 1.740 3.508 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.106 0.059 3.878 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.211 0.968 2.638 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.706 2.287 1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.407 1.537 0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.092 1.003 0.219 1.00 0.00 H new ATOM 746 N LYS A 53 -7.434 -2.848 2.797 1.00 0.00 N ATOM 747 CA LYS A 53 -7.337 -3.860 3.842 1.00 0.00 C ATOM 748 C LYS A 53 -6.661 -5.123 3.316 1.00 0.00 C ATOM 749 O LYS A 53 -5.744 -5.652 3.942 1.00 0.00 O ATOM 750 CB LYS A 53 -8.729 -4.201 4.381 1.00 0.00 C ATOM 751 CG LYS A 53 -8.704 -4.908 5.725 1.00 0.00 C ATOM 752 CD LYS A 53 -10.069 -5.471 6.084 1.00 0.00 C ATOM 753 CE LYS A 53 -10.261 -6.869 5.516 1.00 0.00 C ATOM 754 NZ LYS A 53 -11.611 -7.414 5.830 1.00 0.00 N ATOM 0 H LYS A 53 -8.326 -2.837 2.303 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.730 -3.454 4.651 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.309 -3.283 4.474 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.245 -4.832 3.657 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.972 -5.715 5.699 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.382 -4.210 6.498 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.179 -5.499 7.168 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.848 -4.811 5.702 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.122 -6.844 4.435 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.498 -7.534 5.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.703 -8.368 5.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.735 -7.461 6.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.339 -6.794 5.422 1.00 0.00 H new ATOM 768 N GLU A 54 -7.120 -5.597 2.162 1.00 0.00 N ATOM 769 CA GLU A 54 -6.558 -6.797 1.553 1.00 0.00 C ATOM 770 C GLU A 54 -5.037 -6.701 1.464 1.00 0.00 C ATOM 771 O GLU A 54 -4.318 -7.537 2.012 1.00 0.00 O ATOM 772 CB GLU A 54 -7.148 -7.012 0.158 1.00 0.00 C ATOM 773 CG GLU A 54 -8.432 -7.825 0.159 1.00 0.00 C ATOM 774 CD GLU A 54 -8.181 -9.313 0.014 1.00 0.00 C ATOM 775 OE1 GLU A 54 -7.280 -9.690 -0.765 1.00 0.00 O ATOM 776 OE2 GLU A 54 -8.885 -10.101 0.680 1.00 0.00 O ATOM 0 H GLU A 54 -7.878 -5.169 1.631 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.815 -7.648 2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.343 -6.042 -0.298 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.410 -7.515 -0.466 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.974 -7.641 1.087 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.072 -7.487 -0.656 1.00 0.00 H new ATOM 783 N PHE A 55 -4.555 -5.675 0.770 1.00 0.00 N ATOM 784 CA PHE A 55 -3.120 -5.469 0.608 1.00 0.00 C ATOM 785 C PHE A 55 -2.375 -5.796 1.898 1.00 0.00 C ATOM 786 O PHE A 55 -1.305 -6.404 1.874 1.00 0.00 O ATOM 787 CB PHE A 55 -2.835 -4.025 0.191 1.00 0.00 C ATOM 788 CG PHE A 55 -1.413 -3.794 -0.233 1.00 0.00 C ATOM 789 CD1 PHE A 55 -0.856 -4.528 -1.268 1.00 0.00 C ATOM 790 CD2 PHE A 55 -0.632 -2.842 0.403 1.00 0.00 C ATOM 791 CE1 PHE A 55 0.452 -4.317 -1.662 1.00 0.00 C ATOM 792 CE2 PHE A 55 0.676 -2.626 0.013 1.00 0.00 C ATOM 793 CZ PHE A 55 1.219 -3.366 -1.019 1.00 0.00 C ATOM 0 H PHE A 55 -5.136 -4.974 0.311 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.767 -6.141 -0.174 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.499 -3.754 -0.630 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.070 -3.362 1.023 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.451 -5.274 -1.773 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.050 -2.262 1.213 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.873 -4.895 -2.471 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.273 -1.879 0.515 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.242 -3.201 -1.323 1.00 0.00 H new ATOM 803 N LEU A 56 -2.947 -5.386 3.025 1.00 0.00 N ATOM 804 CA LEU A 56 -2.337 -5.633 4.327 1.00 0.00 C ATOM 805 C LEU A 56 -2.183 -7.129 4.580 1.00 0.00 C ATOM 806 O LEU A 56 -1.083 -7.614 4.841 1.00 0.00 O ATOM 807 CB LEU A 56 -3.180 -5.000 5.436 1.00 0.00 C ATOM 808 CG LEU A 56 -3.702 -3.596 5.132 1.00 0.00 C ATOM 809 CD1 LEU A 56 -4.487 -3.049 6.313 1.00 0.00 C ATOM 810 CD2 LEU A 56 -2.551 -2.666 4.779 1.00 0.00 C ATOM 0 H LEU A 56 -3.832 -4.881 3.063 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.346 -5.179 4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.030 -5.650 5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.583 -4.959 6.347 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.372 -3.657 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.850 -2.049 6.077 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.334 -3.703 6.521 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.841 -3.003 7.189 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.940 -1.670 4.565 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.857 -2.612 5.617 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.031 -3.048 3.901 1.00 0.00 H new ATOM 822 N ASN A 57 -3.293 -7.855 4.500 1.00 0.00 N ATOM 823 CA ASN A 57 -3.282 -9.296 4.721 1.00 0.00 C ATOM 824 C ASN A 57 -2.132 -9.954 3.964 1.00 0.00 C ATOM 825 O ASN A 57 -1.466 -10.848 4.483 1.00 0.00 O ATOM 826 CB ASN A 57 -4.613 -9.911 4.284 1.00 0.00 C ATOM 827 CG ASN A 57 -4.972 -11.146 5.087 1.00 0.00 C ATOM 828 OD1 ASN A 57 -4.120 -11.993 5.358 1.00 0.00 O ATOM 829 ND2 ASN A 57 -6.238 -11.254 5.473 1.00 0.00 N ATOM 0 H ASN A 57 -4.212 -7.469 4.284 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.140 -9.473 5.787 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.405 -9.169 4.390 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.560 -10.171 3.227 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.538 -12.063 6.017 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.910 -10.528 5.226 1.00 0.00 H new ATOM 836 N GLU A 58 -1.907 -9.503 2.734 1.00 0.00 N ATOM 837 CA GLU A 58 -0.838 -10.048 1.906 1.00 0.00 C ATOM 838 C GLU A 58 0.504 -9.971 2.628 1.00 0.00 C ATOM 839 O GLU A 58 1.358 -10.842 2.470 1.00 0.00 O ATOM 840 CB GLU A 58 -0.757 -9.294 0.576 1.00 0.00 C ATOM 841 CG GLU A 58 -1.607 -9.907 -0.524 1.00 0.00 C ATOM 842 CD GLU A 58 -1.070 -11.244 -0.999 1.00 0.00 C ATOM 843 OE1 GLU A 58 -1.331 -12.262 -0.325 1.00 0.00 O ATOM 844 OE2 GLU A 58 -0.389 -11.270 -2.045 1.00 0.00 O ATOM 0 H GLU A 58 -2.450 -8.763 2.290 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.066 -11.096 1.709 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.071 -8.262 0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.282 -9.265 0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.626 -10.037 -0.161 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.655 -9.218 -1.368 1.00 0.00 H new ATOM 851 N GLY A 59 0.682 -8.919 3.423 1.00 0.00 N ATOM 852 CA GLY A 59 1.922 -8.747 4.158 1.00 0.00 C ATOM 853 C GLY A 59 1.872 -9.378 5.535 1.00 0.00 C ATOM 854 O GLY A 59 2.869 -9.915 6.016 1.00 0.00 O ATOM 0 H GLY A 59 -0.010 -8.184 3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.742 -9.187 3.590 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.138 -7.683 4.257 1.00 0.00 H new ATOM 858 N GLY A 60 0.707 -9.312 6.173 1.00 0.00 N ATOM 859 CA GLY A 60 0.554 -9.885 7.498 1.00 0.00 C ATOM 860 C GLY A 60 0.206 -8.843 8.542 1.00 0.00 C ATOM 861 O GLY A 60 0.544 -8.994 9.716 1.00 0.00 O ATOM 0 H GLY A 60 -0.133 -8.872 5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.226 -10.646 7.474 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.479 -10.386 7.783 1.00 0.00 H new ATOM 865 N ARG A 61 -0.471 -7.781 8.115 1.00 0.00 N ATOM 866 CA ARG A 61 -0.862 -6.709 9.022 1.00 0.00 C ATOM 867 C ARG A 61 -2.381 -6.594 9.105 1.00 0.00 C ATOM 868 O ARG A 61 -2.913 -5.580 9.555 1.00 0.00 O ATOM 869 CB ARG A 61 -0.264 -5.379 8.560 1.00 0.00 C ATOM 870 CG ARG A 61 1.113 -5.096 9.140 1.00 0.00 C ATOM 871 CD ARG A 61 2.203 -5.815 8.360 1.00 0.00 C ATOM 872 NE ARG A 61 3.382 -6.074 9.182 1.00 0.00 N ATOM 873 CZ ARG A 61 4.176 -7.127 9.017 1.00 0.00 C ATOM 874 NH1 ARG A 61 3.917 -8.014 8.066 1.00 0.00 N ATOM 875 NH2 ARG A 61 5.230 -7.294 9.805 1.00 0.00 N ATOM 0 H ARG A 61 -0.760 -7.641 7.147 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.478 -6.948 10.014 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.198 -5.378 7.472 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.940 -4.570 8.839 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.302 -4.023 9.126 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.142 -5.411 10.183 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.813 -6.758 7.977 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.488 -5.214 7.496 1.00 0.00 H new ATOM 0 HE ARG A 61 3.608 -5.411 9.923 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.107 -7.889 7.459 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.528 -8.821 7.941 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.431 -6.614 10.538 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.839 -8.102 9.678 1.00 0.00 H new ATOM 889 N ALA A 62 -3.073 -7.641 8.668 1.00 0.00 N ATOM 890 CA ALA A 62 -4.530 -7.659 8.694 1.00 0.00 C ATOM 891 C ALA A 62 -5.060 -7.235 10.060 1.00 0.00 C ATOM 892 O ALA A 62 -6.064 -6.529 10.157 1.00 0.00 O ATOM 893 CB ALA A 62 -5.048 -9.043 8.332 1.00 0.00 C ATOM 0 H ALA A 62 -2.648 -8.488 8.292 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.890 -6.943 7.955 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.138 -9.041 8.356 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.707 -9.309 7.331 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.671 -9.772 9.049 1.00 0.00 H new ATOM 899 N THR A 63 -4.378 -7.670 11.115 1.00 0.00 N ATOM 900 CA THR A 63 -4.781 -7.337 12.476 1.00 0.00 C ATOM 901 C THR A 63 -4.643 -5.843 12.740 1.00 0.00 C ATOM 902 O THR A 63 -5.402 -5.267 13.520 1.00 0.00 O ATOM 903 CB THR A 63 -3.946 -8.110 13.514 1.00 0.00 C ATOM 904 OG1 THR A 63 -4.316 -7.709 14.837 1.00 0.00 O ATOM 905 CG2 THR A 63 -2.459 -7.867 13.302 1.00 0.00 C ATOM 0 H THR A 63 -3.544 -8.254 11.053 1.00 0.00 H new ATOM 0 HA THR A 63 -5.827 -7.625 12.575 1.00 0.00 H new ATOM 0 HB THR A 63 -4.146 -9.174 13.388 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.782 -8.206 15.491 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.890 -8.423 14.047 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.174 -8.201 12.304 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.246 -6.803 13.403 1.00 0.00 H new ATOM 913 N SER A 64 -3.669 -5.218 12.085 1.00 0.00 N ATOM 914 CA SER A 64 -3.430 -3.789 12.252 1.00 0.00 C ATOM 915 C SER A 64 -4.563 -2.973 11.638 1.00 0.00 C ATOM 916 O SER A 64 -4.942 -3.183 10.485 1.00 0.00 O ATOM 917 CB SER A 64 -2.097 -3.396 11.611 1.00 0.00 C ATOM 918 OG SER A 64 -1.022 -3.583 12.515 1.00 0.00 O ATOM 0 H SER A 64 -3.033 -5.679 11.434 1.00 0.00 H new ATOM 0 HA SER A 64 -3.389 -3.574 13.320 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.931 -3.994 10.715 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.135 -2.353 11.296 1.00 0.00 H new ATOM 0 HG SER A 64 -0.181 -3.327 12.081 1.00 0.00 H new ATOM 924 N LYS A 65 -5.100 -2.040 12.416 1.00 0.00 N ATOM 925 CA LYS A 65 -6.190 -1.190 11.951 1.00 0.00 C ATOM 926 C LYS A 65 -5.677 -0.130 10.981 1.00 0.00 C ATOM 927 O LYS A 65 -6.012 -0.146 9.796 1.00 0.00 O ATOM 928 CB LYS A 65 -6.881 -0.516 13.139 1.00 0.00 C ATOM 929 CG LYS A 65 -8.280 -0.015 12.824 1.00 0.00 C ATOM 930 CD LYS A 65 -8.907 0.676 14.023 1.00 0.00 C ATOM 931 CE LYS A 65 -10.343 1.091 13.740 1.00 0.00 C ATOM 932 NZ LYS A 65 -11.156 1.164 14.985 1.00 0.00 N ATOM 0 H LYS A 65 -4.798 -1.853 13.372 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.910 -1.819 11.428 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.935 -1.223 13.966 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.271 0.322 13.476 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.239 0.678 11.984 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.907 -0.852 12.516 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.883 0.007 14.883 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.318 1.555 14.287 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.349 2.062 13.245 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.797 0.379 13.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.128 1.450 14.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.172 0.231 15.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.737 1.862 15.633 1.00 0.00 H new ATOM 946 N ASP A 66 -4.862 0.787 11.490 1.00 0.00 N ATOM 947 CA ASP A 66 -4.301 1.852 10.667 1.00 0.00 C ATOM 948 C ASP A 66 -3.522 1.276 9.489 1.00 0.00 C ATOM 949 O ASP A 66 -2.463 0.674 9.667 1.00 0.00 O ATOM 950 CB ASP A 66 -3.390 2.748 11.507 1.00 0.00 C ATOM 951 CG ASP A 66 -4.093 3.307 12.728 1.00 0.00 C ATOM 952 OD1 ASP A 66 -5.189 3.885 12.570 1.00 0.00 O ATOM 953 OD2 ASP A 66 -3.549 3.164 13.843 1.00 0.00 O ATOM 0 H ASP A 66 -4.575 0.814 12.468 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.126 2.449 10.277 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.517 2.178 11.824 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.027 3.571 10.892 1.00 0.00 H new ATOM 958 N TRP A 67 -4.054 1.462 8.287 1.00 0.00 N ATOM 959 CA TRP A 67 -3.409 0.959 7.079 1.00 0.00 C ATOM 960 C TRP A 67 -2.313 1.910 6.611 1.00 0.00 C ATOM 961 O TRP A 67 -1.344 1.493 5.977 1.00 0.00 O ATOM 962 CB TRP A 67 -4.442 0.766 5.967 1.00 0.00 C ATOM 963 CG TRP A 67 -5.224 2.007 5.660 1.00 0.00 C ATOM 964 CD1 TRP A 67 -6.370 2.427 6.274 1.00 0.00 C ATOM 965 CD2 TRP A 67 -4.919 2.988 4.663 1.00 0.00 C ATOM 966 NE1 TRP A 67 -6.795 3.609 5.718 1.00 0.00 N ATOM 967 CE2 TRP A 67 -5.921 3.975 4.728 1.00 0.00 C ATOM 968 CE3 TRP A 67 -3.895 3.129 3.722 1.00 0.00 C ATOM 969 CZ2 TRP A 67 -5.928 5.085 3.888 1.00 0.00 C ATOM 970 CZ3 TRP A 67 -3.903 4.231 2.889 1.00 0.00 C ATOM 971 CH2 TRP A 67 -4.914 5.198 2.977 1.00 0.00 C ATOM 0 H TRP A 67 -4.930 1.957 8.122 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.954 -0.003 7.314 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -3.933 0.433 5.062 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -5.132 -0.027 6.255 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -6.868 1.906 7.078 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.626 4.130 5.997 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.111 2.389 3.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.707 5.831 3.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.117 4.349 2.158 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -4.892 6.049 2.312 1.00 0.00 H new ATOM 982 N LYS A 68 -2.472 3.191 6.928 1.00 0.00 N ATOM 983 CA LYS A 68 -1.495 4.202 6.541 1.00 0.00 C ATOM 984 C LYS A 68 -0.172 3.986 7.269 1.00 0.00 C ATOM 985 O LYS A 68 0.880 4.430 6.811 1.00 0.00 O ATOM 986 CB LYS A 68 -2.032 5.602 6.844 1.00 0.00 C ATOM 987 CG LYS A 68 -3.232 5.989 5.997 1.00 0.00 C ATOM 988 CD LYS A 68 -3.840 7.303 6.457 1.00 0.00 C ATOM 989 CE LYS A 68 -5.337 7.348 6.194 1.00 0.00 C ATOM 990 NZ LYS A 68 -5.962 8.580 6.749 1.00 0.00 N ATOM 0 H LYS A 68 -3.269 3.553 7.452 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.320 4.111 5.469 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.308 5.656 7.897 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.236 6.330 6.686 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.930 6.073 4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.984 5.202 6.049 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.653 7.438 7.522 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.354 8.130 5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.518 7.301 5.120 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.810 6.471 6.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.982 8.572 6.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.811 8.613 7.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.529 9.417 6.309 1.00 0.00 H new ATOM 1004 N GLY A 69 -0.232 3.298 8.406 1.00 0.00 N ATOM 1005 CA GLY A 69 0.969 3.034 9.178 1.00 0.00 C ATOM 1006 C GLY A 69 1.672 1.765 8.739 1.00 0.00 C ATOM 1007 O GLY A 69 2.896 1.739 8.608 1.00 0.00 O ATOM 0 H GLY A 69 -1.090 2.919 8.806 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.653 3.877 9.080 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.709 2.955 10.234 1.00 0.00 H new ATOM 1011 N VAL A 70 0.898 0.709 8.514 1.00 0.00 N ATOM 1012 CA VAL A 70 1.454 -0.570 8.089 1.00 0.00 C ATOM 1013 C VAL A 70 2.007 -0.485 6.670 1.00 0.00 C ATOM 1014 O VAL A 70 3.077 -1.018 6.377 1.00 0.00 O ATOM 1015 CB VAL A 70 0.398 -1.690 8.150 1.00 0.00 C ATOM 1016 CG1 VAL A 70 -0.037 -1.936 9.586 1.00 0.00 C ATOM 1017 CG2 VAL A 70 -0.796 -1.343 7.274 1.00 0.00 C ATOM 0 H VAL A 70 -0.117 0.714 8.619 1.00 0.00 H new ATOM 0 HA VAL A 70 2.264 -0.807 8.778 1.00 0.00 H new ATOM 0 HB VAL A 70 0.844 -2.609 7.769 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.783 -2.730 9.609 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.826 -2.232 10.182 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.467 -1.023 9.998 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.532 -2.145 7.329 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.245 -0.413 7.623 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.467 -1.222 6.242 1.00 0.00 H new ATOM 1027 N ILE A 71 1.270 0.190 5.794 1.00 0.00 N ATOM 1028 CA ILE A 71 1.688 0.347 4.406 1.00 0.00 C ATOM 1029 C ILE A 71 2.755 1.428 4.272 1.00 0.00 C ATOM 1030 O ILE A 71 2.706 2.451 4.955 1.00 0.00 O ATOM 1031 CB ILE A 71 0.497 0.701 3.497 1.00 0.00 C ATOM 1032 CG1 ILE A 71 -0.581 -0.381 3.586 1.00 0.00 C ATOM 1033 CG2 ILE A 71 0.962 0.876 2.059 1.00 0.00 C ATOM 1034 CD1 ILE A 71 -1.861 -0.021 2.865 1.00 0.00 C ATOM 0 H ILE A 71 0.381 0.637 6.020 1.00 0.00 H new ATOM 0 HA ILE A 71 2.103 -0.610 4.091 1.00 0.00 H new ATOM 0 HB ILE A 71 0.068 1.643 3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.188 -1.309 3.170 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.806 -0.572 4.635 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.109 1.126 1.429 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.697 1.679 2.010 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.414 -0.052 1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.579 -0.834 2.971 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.278 0.889 3.296 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.650 0.142 1.808 1.00 0.00 H new ATOM 1046 N ARG A 72 3.717 1.195 3.386 1.00 0.00 N ATOM 1047 CA ARG A 72 4.796 2.149 3.161 1.00 0.00 C ATOM 1048 C ARG A 72 4.969 2.433 1.671 1.00 0.00 C ATOM 1049 O ARG A 72 4.911 1.522 0.845 1.00 0.00 O ATOM 1050 CB ARG A 72 6.106 1.618 3.745 1.00 0.00 C ATOM 1051 CG ARG A 72 6.055 1.392 5.248 1.00 0.00 C ATOM 1052 CD ARG A 72 7.360 0.810 5.768 1.00 0.00 C ATOM 1053 NE ARG A 72 7.432 -0.635 5.571 1.00 0.00 N ATOM 1054 CZ ARG A 72 8.198 -1.439 6.299 1.00 0.00 C ATOM 1055 NH1 ARG A 72 8.954 -0.942 7.268 1.00 0.00 N ATOM 1056 NH2 ARG A 72 8.209 -2.744 6.059 1.00 0.00 N ATOM 0 H ARG A 72 3.771 0.354 2.812 1.00 0.00 H new ATOM 0 HA ARG A 72 4.534 3.080 3.663 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.359 0.679 3.253 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.907 2.322 3.519 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.850 2.336 5.752 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.233 0.717 5.488 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.198 1.287 5.260 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.460 1.037 6.829 1.00 0.00 H new ATOM 0 HE ARG A 72 6.862 -1.050 4.833 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.948 0.061 7.456 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.541 -1.562 7.826 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.629 -3.131 5.315 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.798 -3.361 6.619 1.00 0.00 H new ATOM 1070 N CYS A 73 5.182 3.701 1.337 1.00 0.00 N ATOM 1071 CA CYS A 73 5.362 4.105 -0.053 1.00 0.00 C ATOM 1072 C CYS A 73 6.815 3.936 -0.484 1.00 0.00 C ATOM 1073 O CYS A 73 7.134 3.074 -1.301 1.00 0.00 O ATOM 1074 CB CYS A 73 4.927 5.559 -0.244 1.00 0.00 C ATOM 1075 SG CYS A 73 5.200 6.198 -1.913 1.00 0.00 S ATOM 0 H CYS A 73 5.234 4.466 2.009 1.00 0.00 H new ATOM 0 HA CYS A 73 4.740 3.462 -0.676 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.868 5.645 -0.003 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.467 6.185 0.466 1.00 0.00 H new ATOM 0 HG CYS A 73 5.169 5.216 -2.764 1.00 0.00 H new ATOM 1081 N ASN A 74 7.692 4.767 0.071 1.00 0.00 N ATOM 1082 CA ASN A 74 9.112 4.711 -0.258 1.00 0.00 C ATOM 1083 C ASN A 74 9.938 4.321 0.964 1.00 0.00 C ATOM 1084 O ASN A 74 11.150 4.530 0.999 1.00 0.00 O ATOM 1085 CB ASN A 74 9.585 6.062 -0.798 1.00 0.00 C ATOM 1086 CG ASN A 74 8.972 6.393 -2.145 1.00 0.00 C ATOM 1087 OD1 ASN A 74 8.440 7.485 -2.345 1.00 0.00 O ATOM 1088 ND2 ASN A 74 9.043 5.449 -3.076 1.00 0.00 N ATOM 0 H ASN A 74 7.444 5.487 0.750 1.00 0.00 H new ATOM 0 HA ASN A 74 9.252 3.951 -1.027 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.330 6.845 -0.084 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.671 6.054 -0.888 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.647 5.615 -4.001 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.494 4.558 -2.866 1.00 0.00 H new ATOM 1095 N GLY A 75 9.273 3.751 1.964 1.00 0.00 N ATOM 1096 CA GLY A 75 9.962 3.340 3.174 1.00 0.00 C ATOM 1097 C GLY A 75 9.360 3.957 4.421 1.00 0.00 C ATOM 1098 O GLY A 75 9.727 3.595 5.538 1.00 0.00 O ATOM 0 H GLY A 75 8.270 3.566 1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.928 2.254 3.257 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.013 3.621 3.104 1.00 0.00 H new ATOM 1102 N GLU A 76 8.436 4.893 4.230 1.00 0.00 N ATOM 1103 CA GLU A 76 7.785 5.563 5.350 1.00 0.00 C ATOM 1104 C GLU A 76 6.284 5.288 5.351 1.00 0.00 C ATOM 1105 O GLU A 76 5.739 4.745 4.389 1.00 0.00 O ATOM 1106 CB GLU A 76 8.038 7.071 5.288 1.00 0.00 C ATOM 1107 CG GLU A 76 9.481 7.457 5.566 1.00 0.00 C ATOM 1108 CD GLU A 76 10.470 6.645 4.752 1.00 0.00 C ATOM 1109 OE1 GLU A 76 10.518 6.834 3.518 1.00 0.00 O ATOM 1110 OE2 GLU A 76 11.195 5.822 5.347 1.00 0.00 O ATOM 0 H GLU A 76 8.121 5.205 3.311 1.00 0.00 H new ATOM 0 HA GLU A 76 8.210 5.168 6.273 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.756 7.438 4.301 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.392 7.570 6.010 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.619 8.516 5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.691 7.321 6.627 1.00 0.00 H new ATOM 1117 N THR A 77 5.619 5.667 6.438 1.00 0.00 N ATOM 1118 CA THR A 77 4.182 5.460 6.566 1.00 0.00 C ATOM 1119 C THR A 77 3.404 6.520 5.796 1.00 0.00 C ATOM 1120 O THR A 77 3.662 7.716 5.933 1.00 0.00 O ATOM 1121 CB THR A 77 3.741 5.485 8.042 1.00 0.00 C ATOM 1122 OG1 THR A 77 4.047 6.757 8.623 1.00 0.00 O ATOM 1123 CG2 THR A 77 4.428 4.382 8.831 1.00 0.00 C ATOM 0 H THR A 77 6.053 6.119 7.243 1.00 0.00 H new ATOM 0 HA THR A 77 3.964 4.478 6.146 1.00 0.00 H new ATOM 0 HB THR A 77 2.664 5.319 8.079 1.00 0.00 H new ATOM 0 HG1 THR A 77 3.762 6.765 9.561 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.101 4.420 9.870 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.168 3.413 8.404 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.508 4.521 8.786 1.00 0.00 H new ATOM 1131 N LEU A 78 2.448 6.075 4.987 1.00 0.00 N ATOM 1132 CA LEU A 78 1.630 6.987 4.195 1.00 0.00 C ATOM 1133 C LEU A 78 1.290 8.243 4.990 1.00 0.00 C ATOM 1134 O LEU A 78 1.314 9.353 4.458 1.00 0.00 O ATOM 1135 CB LEU A 78 0.345 6.290 3.744 1.00 0.00 C ATOM 1136 CG LEU A 78 0.551 4.970 3.001 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -0.780 4.271 2.773 1.00 0.00 C ATOM 1138 CD2 LEU A 78 1.262 5.209 1.678 1.00 0.00 C ATOM 0 H LEU A 78 2.221 5.089 4.862 1.00 0.00 H new ATOM 0 HA LEU A 78 2.204 7.281 3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.276 6.103 4.620 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.211 6.970 3.099 1.00 0.00 H new ATOM 0 HG LEU A 78 1.176 4.323 3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.612 3.333 2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.252 4.065 3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.431 4.913 2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.400 4.259 1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.662 5.874 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.234 5.665 1.865 1.00 0.00 H new ATOM 1150 N ARG A 79 0.973 8.059 6.268 1.00 0.00 N ATOM 1151 CA ARG A 79 0.626 9.177 7.137 1.00 0.00 C ATOM 1152 C ARG A 79 1.741 10.218 7.156 1.00 0.00 C ATOM 1153 O ARG A 79 1.485 11.420 7.080 1.00 0.00 O ATOM 1154 CB ARG A 79 0.353 8.680 8.558 1.00 0.00 C ATOM 1155 CG ARG A 79 0.182 9.799 9.572 1.00 0.00 C ATOM 1156 CD ARG A 79 1.507 10.174 10.217 1.00 0.00 C ATOM 1157 NE ARG A 79 2.084 9.062 10.968 1.00 0.00 N ATOM 1158 CZ ARG A 79 3.382 8.944 11.225 1.00 0.00 C ATOM 1159 NH1 ARG A 79 4.233 9.866 10.796 1.00 0.00 N ATOM 1160 NH2 ARG A 79 3.831 7.903 11.915 1.00 0.00 N ATOM 0 H ARG A 79 0.949 7.147 6.724 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.276 9.644 6.743 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.547 8.066 8.552 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.175 8.038 8.873 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.246 10.674 9.082 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.524 9.489 10.342 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.208 10.493 9.446 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.358 11.023 10.884 1.00 0.00 H new ATOM 0 HE ARG A 79 1.456 8.336 11.314 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.892 10.669 10.267 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.229 9.773 10.995 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.179 7.193 12.248 1.00 0.00 H new ATOM 0 HH22 ARG A 79 4.828 7.813 12.112 1.00 0.00 H new ATOM 1174 N HIS A 80 2.981 9.748 7.259 1.00 0.00 N ATOM 1175 CA HIS A 80 4.136 10.638 7.288 1.00 0.00 C ATOM 1176 C HIS A 80 4.208 11.475 6.015 1.00 0.00 C ATOM 1177 O HIS A 80 4.352 12.697 6.071 1.00 0.00 O ATOM 1178 CB HIS A 80 5.424 9.831 7.456 1.00 0.00 C ATOM 1179 CG HIS A 80 6.654 10.679 7.556 1.00 0.00 C ATOM 1180 ND1 HIS A 80 7.272 10.970 8.754 1.00 0.00 N ATOM 1181 CD2 HIS A 80 7.381 11.300 6.598 1.00 0.00 C ATOM 1182 CE1 HIS A 80 8.326 11.734 8.529 1.00 0.00 C ATOM 1183 NE2 HIS A 80 8.415 11.949 7.228 1.00 0.00 N ATOM 0 H HIS A 80 3.211 8.756 7.324 1.00 0.00 H new ATOM 0 HA HIS A 80 4.025 11.311 8.138 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.343 9.216 8.352 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.530 9.151 6.611 1.00 0.00 H new ATOM 0 HD1 HIS A 80 6.963 10.646 9.671 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.185 11.288 5.536 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.000 12.118 9.280 1.00 0.00 H new ATOM 1192 N LEU A 81 4.110 10.811 4.869 1.00 0.00 N ATOM 1193 CA LEU A 81 4.165 11.494 3.581 1.00 0.00 C ATOM 1194 C LEU A 81 3.041 12.518 3.460 1.00 0.00 C ATOM 1195 O LEU A 81 3.259 13.644 3.017 1.00 0.00 O ATOM 1196 CB LEU A 81 4.073 10.480 2.439 1.00 0.00 C ATOM 1197 CG LEU A 81 5.109 9.357 2.486 1.00 0.00 C ATOM 1198 CD1 LEU A 81 4.697 8.212 1.574 1.00 0.00 C ATOM 1199 CD2 LEU A 81 6.483 9.881 2.099 1.00 0.00 C ATOM 0 H LEU A 81 3.992 9.800 4.805 1.00 0.00 H new ATOM 0 HA LEU A 81 5.118 12.019 3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.078 10.036 2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.178 11.011 1.493 1.00 0.00 H new ATOM 0 HG LEU A 81 5.161 8.980 3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.447 7.422 1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.734 7.818 1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.615 8.574 0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.207 9.067 2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.446 10.286 1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.782 10.666 2.793 1.00 0.00 H new ATOM 1211 N GLU A 82 1.837 12.116 3.857 1.00 0.00 N ATOM 1212 CA GLU A 82 0.678 12.999 3.792 1.00 0.00 C ATOM 1213 C GLU A 82 0.933 14.290 4.564 1.00 0.00 C ATOM 1214 O GLU A 82 0.583 15.378 4.106 1.00 0.00 O ATOM 1215 CB GLU A 82 -0.560 12.294 4.351 1.00 0.00 C ATOM 1216 CG GLU A 82 -1.770 13.203 4.482 1.00 0.00 C ATOM 1217 CD GLU A 82 -2.692 12.787 5.612 1.00 0.00 C ATOM 1218 OE1 GLU A 82 -3.093 11.604 5.645 1.00 0.00 O ATOM 1219 OE2 GLU A 82 -3.012 13.643 6.463 1.00 0.00 O ATOM 0 H GLU A 82 1.639 11.186 4.226 1.00 0.00 H new ATOM 0 HA GLU A 82 0.503 13.250 2.746 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.814 11.456 3.702 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.320 11.879 5.330 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.435 14.226 4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.326 13.199 3.544 1.00 0.00 H new ATOM 1226 N GLN A 83 1.545 14.160 5.737 1.00 0.00 N ATOM 1227 CA GLN A 83 1.846 15.317 6.573 1.00 0.00 C ATOM 1228 C GLN A 83 2.739 16.306 5.833 1.00 0.00 C ATOM 1229 O GLN A 83 2.621 17.519 6.010 1.00 0.00 O ATOM 1230 CB GLN A 83 2.523 14.872 7.870 1.00 0.00 C ATOM 1231 CG GLN A 83 1.625 14.039 8.771 1.00 0.00 C ATOM 1232 CD GLN A 83 0.757 14.891 9.677 1.00 0.00 C ATOM 1233 OE1 GLN A 83 0.737 16.117 9.565 1.00 0.00 O ATOM 1234 NE2 GLN A 83 0.032 14.243 10.582 1.00 0.00 N ATOM 0 H GLN A 83 1.842 13.267 6.130 1.00 0.00 H new ATOM 0 HA GLN A 83 0.906 15.814 6.813 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.414 14.294 7.625 1.00 0.00 H new ATOM 0 HB3 GLN A 83 2.855 15.754 8.418 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.988 13.404 8.156 1.00 0.00 H new ATOM 0 HG3 GLN A 83 2.241 13.378 9.381 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.079 13.226 10.640 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.572 14.763 11.219 1.00 0.00 H new ATOM 1243 N LYS A 84 3.633 15.782 5.002 1.00 0.00 N ATOM 1244 CA LYS A 84 4.547 16.618 4.233 1.00 0.00 C ATOM 1245 C LYS A 84 3.889 17.101 2.944 1.00 0.00 C ATOM 1246 O LYS A 84 4.550 17.656 2.068 1.00 0.00 O ATOM 1247 CB LYS A 84 5.826 15.845 3.906 1.00 0.00 C ATOM 1248 CG LYS A 84 6.743 15.652 5.102 1.00 0.00 C ATOM 1249 CD LYS A 84 7.649 14.445 4.921 1.00 0.00 C ATOM 1250 CE LYS A 84 8.845 14.774 4.041 1.00 0.00 C ATOM 1251 NZ LYS A 84 9.871 13.695 4.075 1.00 0.00 N ATOM 0 H LYS A 84 3.744 14.781 4.844 1.00 0.00 H new ATOM 0 HA LYS A 84 4.800 17.488 4.839 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.557 14.868 3.503 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.370 16.374 3.123 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.350 16.546 5.244 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.144 15.527 6.004 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.996 14.100 5.895 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.083 13.627 4.476 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.510 14.925 3.015 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.292 15.711 4.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.670 13.956 3.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 10.209 13.568 5.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.451 12.806 3.736 1.00 0.00 H new ATOM 1265 N GLY A 85 2.581 16.886 2.836 1.00 0.00 N ATOM 1266 CA GLY A 85 1.855 17.307 1.652 1.00 0.00 C ATOM 1267 C GLY A 85 2.228 16.497 0.426 1.00 0.00 C ATOM 1268 O GLY A 85 2.128 16.982 -0.701 1.00 0.00 O ATOM 0 H GLY A 85 2.011 16.428 3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.784 17.214 1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.056 18.361 1.462 1.00 0.00 H new ATOM 1272 N LEU A 86 2.661 15.261 0.645 1.00 0.00 N ATOM 1273 CA LEU A 86 3.053 14.382 -0.452 1.00 0.00 C ATOM 1274 C LEU A 86 1.916 13.435 -0.823 1.00 0.00 C ATOM 1275 O LEU A 86 1.676 13.167 -1.999 1.00 0.00 O ATOM 1276 CB LEU A 86 4.298 13.579 -0.070 1.00 0.00 C ATOM 1277 CG LEU A 86 5.445 14.403 0.514 1.00 0.00 C ATOM 1278 CD1 LEU A 86 6.454 13.500 1.207 1.00 0.00 C ATOM 1279 CD2 LEU A 86 6.121 15.221 -0.576 1.00 0.00 C ATOM 0 H LEU A 86 2.750 14.844 1.572 1.00 0.00 H new ATOM 0 HA LEU A 86 3.282 15.003 -1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.012 12.817 0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.660 13.056 -0.955 1.00 0.00 H new ATOM 0 HG LEU A 86 5.034 15.089 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.263 14.105 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.962 12.957 2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.861 12.789 0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.935 15.802 -0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.518 14.552 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.394 15.896 -1.028 1.00 0.00 H new ATOM 1291 N LEU A 87 1.220 12.931 0.190 1.00 0.00 N ATOM 1292 CA LEU A 87 0.107 12.013 -0.028 1.00 0.00 C ATOM 1293 C LEU A 87 -1.209 12.635 0.429 1.00 0.00 C ATOM 1294 O LEU A 87 -1.357 13.018 1.589 1.00 0.00 O ATOM 1295 CB LEU A 87 0.350 10.699 0.718 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.175 9.449 0.013 1.00 0.00 C ATOM 1297 CD1 LEU A 87 0.619 8.223 0.435 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -1.655 9.253 0.307 1.00 0.00 C ATOM 0 H LEU A 87 1.406 13.142 1.170 1.00 0.00 H new ATOM 0 HA LEU A 87 0.040 11.810 -1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.422 10.583 0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.115 10.766 1.701 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.052 9.584 -1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.230 7.343 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.668 8.361 0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.529 8.084 1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.012 8.358 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.801 9.141 1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.214 10.119 -0.046 1.00 0.00 H new ATOM 1310 N PHE A 88 -2.162 12.731 -0.493 1.00 0.00 N ATOM 1311 CA PHE A 88 -3.466 13.307 -0.186 1.00 0.00 C ATOM 1312 C PHE A 88 -4.261 12.391 0.739 1.00 0.00 C ATOM 1313 O PHE A 88 -5.001 12.857 1.605 1.00 0.00 O ATOM 1314 CB PHE A 88 -4.252 13.556 -1.475 1.00 0.00 C ATOM 1315 CG PHE A 88 -4.976 12.341 -1.980 1.00 0.00 C ATOM 1316 CD1 PHE A 88 -4.294 11.156 -2.205 1.00 0.00 C ATOM 1317 CD2 PHE A 88 -6.338 12.384 -2.230 1.00 0.00 C ATOM 1318 CE1 PHE A 88 -4.958 10.035 -2.669 1.00 0.00 C ATOM 1319 CE2 PHE A 88 -7.007 11.266 -2.694 1.00 0.00 C ATOM 1320 CZ PHE A 88 -6.315 10.091 -2.915 1.00 0.00 C ATOM 0 H PHE A 88 -2.056 12.418 -1.458 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.306 14.257 0.323 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -4.974 14.354 -1.302 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.567 13.908 -2.247 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.232 11.107 -2.016 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.883 13.301 -2.061 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.415 9.117 -2.839 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.069 11.312 -2.883 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.835 9.218 -3.280 1.00 0.00 H new ATOM 1330 N SER A 89 -4.102 11.085 0.549 1.00 0.00 N ATOM 1331 CA SER A 89 -4.808 10.102 1.363 1.00 0.00 C ATOM 1332 C SER A 89 -6.307 10.389 1.382 1.00 0.00 C ATOM 1333 O SER A 89 -6.957 10.284 2.421 1.00 0.00 O ATOM 1334 CB SER A 89 -4.259 10.103 2.791 1.00 0.00 C ATOM 1335 OG SER A 89 -4.372 8.820 3.381 1.00 0.00 O ATOM 0 H SER A 89 -3.490 10.683 -0.162 1.00 0.00 H new ATOM 0 HA SER A 89 -4.649 9.118 0.921 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.214 10.412 2.782 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.802 10.832 3.392 1.00 0.00 H new ATOM 0 HG SER A 89 -3.510 8.561 3.768 1.00 0.00 H new ATOM 1341 N GLY A 90 -6.848 10.752 0.223 1.00 0.00 N ATOM 1342 CA GLY A 90 -8.266 11.048 0.128 1.00 0.00 C ATOM 1343 C GLY A 90 -8.653 12.289 0.907 1.00 0.00 C ATOM 1344 O GLY A 90 -7.801 13.039 1.385 1.00 0.00 O ATOM 0 H GLY A 90 -6.331 10.846 -0.651 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -8.537 11.181 -0.919 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -8.837 10.197 0.499 1.00 0.00 H new ATOM 1348 N PRO A 91 -9.967 12.522 1.042 1.00 0.00 N ATOM 1349 CA PRO A 91 -10.494 13.682 1.767 1.00 0.00 C ATOM 1350 C PRO A 91 -10.257 13.583 3.271 1.00 0.00 C ATOM 1351 O PRO A 91 -10.657 12.609 3.909 1.00 0.00 O ATOM 1352 CB PRO A 91 -11.993 13.641 1.459 1.00 0.00 C ATOM 1353 CG PRO A 91 -12.279 12.211 1.156 1.00 0.00 C ATOM 1354 CD PRO A 91 -11.038 11.671 0.499 1.00 0.00 C ATOM 0 HA PRO A 91 -10.007 14.608 1.463 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -12.581 13.991 2.307 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -12.241 14.282 0.613 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -12.511 11.658 2.066 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -13.142 12.117 0.497 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -10.879 10.621 0.743 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.095 11.741 -0.587 1.00 0.00 H new ATOM 1362 N SER A 92 -9.604 14.597 3.830 1.00 0.00 N ATOM 1363 CA SER A 92 -9.311 14.622 5.258 1.00 0.00 C ATOM 1364 C SER A 92 -10.589 14.473 6.078 1.00 0.00 C ATOM 1365 O SER A 92 -11.367 15.417 6.213 1.00 0.00 O ATOM 1366 CB SER A 92 -8.601 15.925 5.632 1.00 0.00 C ATOM 1367 OG SER A 92 -7.272 15.941 5.140 1.00 0.00 O ATOM 0 H SER A 92 -9.268 15.411 3.316 1.00 0.00 H new ATOM 0 HA SER A 92 -8.655 13.781 5.484 1.00 0.00 H new ATOM 0 HB2 SER A 92 -9.153 16.773 5.226 1.00 0.00 H new ATOM 0 HB3 SER A 92 -8.592 16.040 6.716 1.00 0.00 H new ATOM 0 HG SER A 92 -6.841 16.784 5.391 1.00 0.00 H new ATOM 1373 N SER A 93 -10.799 13.279 6.623 1.00 0.00 N ATOM 1374 CA SER A 93 -11.984 13.003 7.427 1.00 0.00 C ATOM 1375 C SER A 93 -11.674 13.134 8.915 1.00 0.00 C ATOM 1376 O SER A 93 -10.523 13.019 9.333 1.00 0.00 O ATOM 1377 CB SER A 93 -12.514 11.599 7.127 1.00 0.00 C ATOM 1378 OG SER A 93 -13.571 11.255 8.006 1.00 0.00 O ATOM 0 H SER A 93 -10.164 12.487 6.522 1.00 0.00 H new ATOM 0 HA SER A 93 -12.748 13.736 7.167 1.00 0.00 H new ATOM 0 HB2 SER A 93 -12.864 11.552 6.096 1.00 0.00 H new ATOM 0 HB3 SER A 93 -11.706 10.874 7.223 1.00 0.00 H new ATOM 0 HG SER A 93 -13.894 10.354 7.793 1.00 0.00 H new ATOM 1384 N GLY A 94 -12.712 13.377 9.710 1.00 0.00 N ATOM 1385 CA GLY A 94 -12.531 13.521 11.143 1.00 0.00 C ATOM 1386 C GLY A 94 -13.753 13.090 11.928 1.00 0.00 C ATOM 1387 O GLY A 94 -13.968 11.898 12.150 1.00 0.00 O ATOM 0 H GLY A 94 -13.674 13.477 9.387 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.672 12.928 11.459 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.303 14.561 11.374 1.00 0.00 H new TER 1391 GLY A 94