USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 720 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 9 SER OG : rot 180:sc=-0.00766 USER MOD Set 1.2: A 10 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00821) USER MOD Single : A 1 GLY N :NH3+ -143:sc= 0.0193 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0223 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.451 K(o=-0.45,f=-2.3!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= -0.552 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -12:sc= 0.404 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0145) USER MOD Single : A 50 MET CE :methyl -179:sc= -0.173 (180deg=-0.175) USER MOD Single : A 53 HIS : no HD1:sc= -4.9! C(o=-4.9!,f=-7.9!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.739 K(o=-0.74,f=-0.14) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 159:sc= -0.878 USER MOD Single : A 70 ASN : amide:sc= -0.98 X(o=-0.98,f=-0.93) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.692 -4.651 23.207 1.00 0.00 N ATOM 2 CA GLY A 1 -6.815 -3.719 22.101 1.00 0.00 C ATOM 3 C GLY A 1 -5.561 -2.892 21.898 1.00 0.00 C ATOM 4 O GLY A 1 -4.453 -3.356 22.165 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.180 -5.538 22.970 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.686 -4.847 23.386 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.121 -4.237 24.059 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.034 -4.271 21.187 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.660 -3.054 22.282 1.00 0.00 H new ATOM 8 N SER A 2 -5.735 -1.663 21.422 1.00 0.00 N ATOM 9 CA SER A 2 -4.607 -0.771 21.177 1.00 0.00 C ATOM 10 C SER A 2 -5.032 0.689 21.301 1.00 0.00 C ATOM 11 O SER A 2 -6.215 0.991 21.457 1.00 0.00 O ATOM 12 CB SER A 2 -4.020 -1.027 19.788 1.00 0.00 C ATOM 13 OG SER A 2 -2.734 -0.444 19.663 1.00 0.00 O ATOM 0 H SER A 2 -6.646 -1.262 21.198 1.00 0.00 H new ATOM 0 HA SER A 2 -3.845 -0.974 21.929 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.955 -2.100 19.609 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.684 -0.617 19.028 1.00 0.00 H new ATOM 0 HG SER A 2 -2.379 -0.623 18.767 1.00 0.00 H new ATOM 19 N SER A 3 -4.058 1.590 21.231 1.00 0.00 N ATOM 20 CA SER A 3 -4.329 3.019 21.339 1.00 0.00 C ATOM 21 C SER A 3 -3.610 3.793 20.238 1.00 0.00 C ATOM 22 O SER A 3 -2.548 3.385 19.769 1.00 0.00 O ATOM 23 CB SER A 3 -3.896 3.539 22.711 1.00 0.00 C ATOM 24 OG SER A 3 -4.864 3.235 23.700 1.00 0.00 O ATOM 0 H SER A 3 -3.074 1.356 21.100 1.00 0.00 H new ATOM 0 HA SER A 3 -5.402 3.170 21.223 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.939 3.096 22.986 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.746 4.618 22.664 1.00 0.00 H new ATOM 0 HG SER A 3 -4.563 3.576 24.568 1.00 0.00 H new ATOM 30 N GLY A 4 -4.198 4.914 19.831 1.00 0.00 N ATOM 31 CA GLY A 4 -3.600 5.729 18.789 1.00 0.00 C ATOM 32 C GLY A 4 -2.405 6.518 19.284 1.00 0.00 C ATOM 33 O GLY A 4 -2.033 6.426 20.454 1.00 0.00 O ATOM 0 H GLY A 4 -5.077 5.272 20.204 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.291 5.088 17.963 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.348 6.417 18.396 1.00 0.00 H new ATOM 37 N SER A 5 -1.800 7.295 18.391 1.00 0.00 N ATOM 38 CA SER A 5 -0.635 8.099 18.742 1.00 0.00 C ATOM 39 C SER A 5 -0.865 9.567 18.396 1.00 0.00 C ATOM 40 O SER A 5 -1.491 9.888 17.386 1.00 0.00 O ATOM 41 CB SER A 5 0.607 7.580 18.015 1.00 0.00 C ATOM 42 OG SER A 5 0.611 7.986 16.658 1.00 0.00 O ATOM 0 H SER A 5 -2.097 7.385 17.419 1.00 0.00 H new ATOM 0 HA SER A 5 -0.478 8.017 19.818 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.504 7.951 18.511 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.638 6.492 18.072 1.00 0.00 H new ATOM 0 HG SER A 5 1.416 7.643 16.216 1.00 0.00 H new ATOM 48 N SER A 6 -0.353 10.455 19.243 1.00 0.00 N ATOM 49 CA SER A 6 -0.505 11.890 19.030 1.00 0.00 C ATOM 50 C SER A 6 0.797 12.505 18.525 1.00 0.00 C ATOM 51 O SER A 6 1.642 12.929 19.311 1.00 0.00 O ATOM 52 CB SER A 6 -0.936 12.576 20.327 1.00 0.00 C ATOM 53 OG SER A 6 -1.674 13.756 20.059 1.00 0.00 O ATOM 0 H SER A 6 0.170 10.206 20.082 1.00 0.00 H new ATOM 0 HA SER A 6 -1.275 12.041 18.274 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.542 11.891 20.920 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.056 12.821 20.922 1.00 0.00 H new ATOM 0 HG SER A 6 -1.939 14.175 20.904 1.00 0.00 H new ATOM 59 N GLY A 7 0.950 12.548 17.205 1.00 0.00 N ATOM 60 CA GLY A 7 2.151 13.112 16.616 1.00 0.00 C ATOM 61 C GLY A 7 1.893 13.734 15.257 1.00 0.00 C ATOM 62 O GLY A 7 1.376 14.847 15.165 1.00 0.00 O ATOM 0 H GLY A 7 0.264 12.203 16.533 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.560 13.868 17.286 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.905 12.331 16.518 1.00 0.00 H new ATOM 66 N MET A 8 2.256 13.014 14.201 1.00 0.00 N ATOM 67 CA MET A 8 2.062 13.503 12.841 1.00 0.00 C ATOM 68 C MET A 8 1.351 12.459 11.984 1.00 0.00 C ATOM 69 O MET A 8 1.964 11.492 11.532 1.00 0.00 O ATOM 70 CB MET A 8 3.407 13.868 12.209 1.00 0.00 C ATOM 71 CG MET A 8 3.974 15.187 12.708 1.00 0.00 C ATOM 72 SD MET A 8 5.609 15.539 12.034 1.00 0.00 S ATOM 73 CE MET A 8 6.658 14.862 13.318 1.00 0.00 C ATOM 0 H MET A 8 2.686 12.091 14.261 1.00 0.00 H new ATOM 0 HA MET A 8 1.438 14.395 12.889 1.00 0.00 H new ATOM 0 HB2 MET A 8 4.124 13.073 12.414 1.00 0.00 H new ATOM 0 HB3 MET A 8 3.289 13.919 11.127 1.00 0.00 H new ATOM 0 HG2 MET A 8 3.293 15.995 12.440 1.00 0.00 H new ATOM 0 HG3 MET A 8 4.031 15.165 13.796 1.00 0.00 H new ATOM 0 HE1 MET A 8 7.704 15.004 13.046 1.00 0.00 H new ATOM 0 HE2 MET A 8 6.456 15.372 14.260 1.00 0.00 H new ATOM 0 HE3 MET A 8 6.454 13.797 13.431 1.00 0.00 H new ATOM 83 N SER A 9 0.056 12.661 11.767 1.00 0.00 N ATOM 84 CA SER A 9 -0.739 11.735 10.968 1.00 0.00 C ATOM 85 C SER A 9 -0.122 11.542 9.586 1.00 0.00 C ATOM 86 O SER A 9 0.085 10.414 9.137 1.00 0.00 O ATOM 87 CB SER A 9 -2.174 12.247 10.832 1.00 0.00 C ATOM 88 OG SER A 9 -2.196 13.582 10.359 1.00 0.00 O ATOM 0 H SER A 9 -0.466 13.457 12.133 1.00 0.00 H new ATOM 0 HA SER A 9 -0.752 10.772 11.479 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.729 11.606 10.147 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.676 12.192 11.798 1.00 0.00 H new ATOM 0 HG SER A 9 -3.124 13.885 10.279 1.00 0.00 H new ATOM 94 N LYS A 10 0.170 12.651 8.916 1.00 0.00 N ATOM 95 CA LYS A 10 0.765 12.607 7.585 1.00 0.00 C ATOM 96 C LYS A 10 1.711 11.419 7.451 1.00 0.00 C ATOM 97 O LYS A 10 1.382 10.419 6.812 1.00 0.00 O ATOM 98 CB LYS A 10 1.518 13.908 7.298 1.00 0.00 C ATOM 99 CG LYS A 10 0.650 15.150 7.403 1.00 0.00 C ATOM 100 CD LYS A 10 -0.385 15.202 6.292 1.00 0.00 C ATOM 101 CE LYS A 10 -1.570 16.076 6.676 1.00 0.00 C ATOM 102 NZ LYS A 10 -2.499 15.374 7.605 1.00 0.00 N ATOM 0 H LYS A 10 0.004 13.592 9.273 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.039 12.492 6.858 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.351 13.997 7.996 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.945 13.857 6.296 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.148 15.163 8.370 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.279 16.039 7.358 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.075 15.589 5.383 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.732 14.193 6.069 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.209 16.991 7.146 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.110 16.371 5.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.335 15.969 7.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.797 14.472 7.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.015 15.190 8.507 1.00 0.00 H new ATOM 116 N LYS A 11 2.888 11.534 8.057 1.00 0.00 N ATOM 117 CA LYS A 11 3.882 10.468 8.009 1.00 0.00 C ATOM 118 C LYS A 11 3.305 9.161 8.543 1.00 0.00 C ATOM 119 O LYS A 11 2.352 9.148 9.323 1.00 0.00 O ATOM 120 CB LYS A 11 5.120 10.860 8.818 1.00 0.00 C ATOM 121 CG LYS A 11 6.026 11.849 8.104 1.00 0.00 C ATOM 122 CD LYS A 11 7.344 12.028 8.838 1.00 0.00 C ATOM 123 CE LYS A 11 8.382 11.018 8.374 1.00 0.00 C ATOM 124 NZ LYS A 11 9.561 10.977 9.282 1.00 0.00 N ATOM 0 H LYS A 11 3.177 12.356 8.588 1.00 0.00 H new ATOM 0 HA LYS A 11 4.168 10.319 6.968 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.802 11.291 9.767 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.690 9.961 9.052 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.218 11.501 7.089 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.521 12.812 8.021 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.719 13.038 8.674 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.182 11.919 9.910 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.928 10.028 8.323 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.709 11.271 7.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.245 10.277 8.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.010 11.915 9.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.253 10.711 10.239 1.00 0.00 H new ATOM 138 N PRO A 12 3.895 8.035 8.116 1.00 0.00 N ATOM 139 CA PRO A 12 3.457 6.702 8.541 1.00 0.00 C ATOM 140 C PRO A 12 3.773 6.428 10.007 1.00 0.00 C ATOM 141 O PRO A 12 4.932 6.319 10.408 1.00 0.00 O ATOM 142 CB PRO A 12 4.257 5.761 7.637 1.00 0.00 C ATOM 143 CG PRO A 12 5.470 6.538 7.260 1.00 0.00 C ATOM 144 CD PRO A 12 5.035 7.975 7.186 1.00 0.00 C ATOM 0 HA PRO A 12 2.377 6.582 8.456 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.522 4.841 8.159 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.682 5.474 6.757 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.262 6.408 7.998 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.867 6.201 6.303 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.834 8.653 7.486 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.743 8.255 6.174 1.00 0.00 H new ATOM 152 N PRO A 13 2.719 6.313 10.829 1.00 0.00 N ATOM 153 CA PRO A 13 2.859 6.049 12.264 1.00 0.00 C ATOM 154 C PRO A 13 3.359 4.636 12.548 1.00 0.00 C ATOM 155 O PRO A 13 3.425 3.799 11.649 1.00 0.00 O ATOM 156 CB PRO A 13 1.437 6.231 12.799 1.00 0.00 C ATOM 157 CG PRO A 13 0.555 5.955 11.631 1.00 0.00 C ATOM 158 CD PRO A 13 1.309 6.431 10.420 1.00 0.00 C ATOM 0 HA PRO A 13 3.592 6.708 12.730 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.232 5.545 13.621 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.284 7.240 13.181 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.328 4.891 11.556 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.396 6.478 11.729 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.092 5.819 9.545 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.050 7.458 10.163 1.00 0.00 H new ATOM 166 N ASN A 14 3.708 4.378 13.804 1.00 0.00 N ATOM 167 CA ASN A 14 4.202 3.066 14.205 1.00 0.00 C ATOM 168 C ASN A 14 3.256 1.963 13.741 1.00 0.00 C ATOM 169 O ASN A 14 2.228 1.708 14.369 1.00 0.00 O ATOM 170 CB ASN A 14 4.368 3.004 15.725 1.00 0.00 C ATOM 171 CG ASN A 14 5.014 1.711 16.184 1.00 0.00 C ATOM 172 OD1 ASN A 14 4.503 0.622 15.922 1.00 0.00 O ATOM 173 ND2 ASN A 14 6.144 1.826 16.872 1.00 0.00 N ATOM 0 H ASN A 14 3.658 5.060 14.561 1.00 0.00 H new ATOM 0 HA ASN A 14 5.172 2.911 13.733 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.974 3.847 16.056 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.392 3.107 16.199 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.625 0.991 17.207 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.531 2.749 17.066 1.00 0.00 H new ATOM 180 N ARG A 15 3.610 1.313 12.637 1.00 0.00 N ATOM 181 CA ARG A 15 2.792 0.238 12.088 1.00 0.00 C ATOM 182 C ARG A 15 3.659 -0.950 11.680 1.00 0.00 C ATOM 183 O ARG A 15 4.334 -0.932 10.650 1.00 0.00 O ATOM 184 CB ARG A 15 1.995 0.740 10.883 1.00 0.00 C ATOM 185 CG ARG A 15 0.747 1.520 11.261 1.00 0.00 C ATOM 186 CD ARG A 15 -0.344 1.367 10.212 1.00 0.00 C ATOM 187 NE ARG A 15 -1.591 2.009 10.622 1.00 0.00 N ATOM 188 CZ ARG A 15 -1.849 3.298 10.435 1.00 0.00 C ATOM 189 NH1 ARG A 15 -0.953 4.080 9.848 1.00 0.00 N ATOM 190 NH2 ARG A 15 -3.007 3.809 10.836 1.00 0.00 N ATOM 0 H ARG A 15 4.457 1.512 12.105 1.00 0.00 H new ATOM 0 HA ARG A 15 2.098 -0.090 12.862 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.638 1.373 10.271 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.708 -0.112 10.267 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.377 1.172 12.226 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.997 2.575 11.377 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.005 1.800 9.271 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.525 0.308 10.029 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.302 1.436 11.077 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.062 3.692 9.538 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.155 5.070 9.706 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.699 3.211 11.288 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.205 4.799 10.692 1.00 0.00 H new ATOM 204 N PRO A 16 3.641 -2.007 12.505 1.00 0.00 N ATOM 205 CA PRO A 16 4.420 -3.223 12.250 1.00 0.00 C ATOM 206 C PRO A 16 3.884 -4.016 11.064 1.00 0.00 C ATOM 207 O PRO A 16 3.173 -5.005 11.236 1.00 0.00 O ATOM 208 CB PRO A 16 4.260 -4.024 13.545 1.00 0.00 C ATOM 209 CG PRO A 16 2.975 -3.548 14.129 1.00 0.00 C ATOM 210 CD PRO A 16 2.860 -2.097 13.750 1.00 0.00 C ATOM 0 HA PRO A 16 5.456 -2.998 11.997 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.232 -5.095 13.347 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.093 -3.847 14.225 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.133 -4.121 13.740 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.970 -3.670 15.212 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.822 -1.803 13.595 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.263 -1.446 14.525 1.00 0.00 H new ATOM 218 N GLY A 17 4.231 -3.576 9.858 1.00 0.00 N ATOM 219 CA GLY A 17 3.776 -4.258 8.660 1.00 0.00 C ATOM 220 C GLY A 17 3.684 -3.330 7.465 1.00 0.00 C ATOM 221 O GLY A 17 4.475 -3.437 6.526 1.00 0.00 O ATOM 0 H GLY A 17 4.819 -2.760 9.689 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.459 -5.076 8.430 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.798 -4.702 8.847 1.00 0.00 H new ATOM 225 N ILE A 18 2.717 -2.420 7.497 1.00 0.00 N ATOM 226 CA ILE A 18 2.526 -1.471 6.408 1.00 0.00 C ATOM 227 C ILE A 18 3.519 -0.318 6.502 1.00 0.00 C ATOM 228 O ILE A 18 3.870 0.128 7.595 1.00 0.00 O ATOM 229 CB ILE A 18 1.095 -0.901 6.403 1.00 0.00 C ATOM 230 CG1 ILE A 18 0.083 -2.003 6.726 1.00 0.00 C ATOM 231 CG2 ILE A 18 0.782 -0.266 5.056 1.00 0.00 C ATOM 232 CD1 ILE A 18 -1.357 -1.559 6.591 1.00 0.00 C ATOM 0 H ILE A 18 2.054 -2.320 8.265 1.00 0.00 H new ATOM 0 HA ILE A 18 2.695 -2.018 5.480 1.00 0.00 H new ATOM 0 HB ILE A 18 1.024 -0.131 7.171 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.257 -2.851 6.063 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.253 -2.354 7.744 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.233 0.132 5.068 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.487 0.543 4.862 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.867 -1.017 4.271 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.018 -2.390 6.835 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.548 -0.731 7.274 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.543 -1.235 5.567 1.00 0.00 H new ATOM 244 N THR A 19 3.970 0.164 5.347 1.00 0.00 N ATOM 245 CA THR A 19 4.922 1.266 5.298 1.00 0.00 C ATOM 246 C THR A 19 4.667 2.160 4.090 1.00 0.00 C ATOM 247 O THR A 19 4.981 1.793 2.957 1.00 0.00 O ATOM 248 CB THR A 19 6.373 0.752 5.246 1.00 0.00 C ATOM 249 OG1 THR A 19 6.694 0.066 6.461 1.00 0.00 O ATOM 250 CG2 THR A 19 7.347 1.901 5.033 1.00 0.00 C ATOM 0 H THR A 19 3.690 -0.192 4.433 1.00 0.00 H new ATOM 0 HA THR A 19 4.782 1.846 6.210 1.00 0.00 H new ATOM 0 HB THR A 19 6.461 0.062 4.407 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.618 -0.259 6.419 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.365 1.513 5.000 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.119 2.402 4.092 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.256 2.612 5.854 1.00 0.00 H new ATOM 258 N PHE A 20 4.098 3.334 4.338 1.00 0.00 N ATOM 259 CA PHE A 20 3.801 4.281 3.270 1.00 0.00 C ATOM 260 C PHE A 20 5.085 4.810 2.639 1.00 0.00 C ATOM 261 O PHE A 20 5.771 5.652 3.218 1.00 0.00 O ATOM 262 CB PHE A 20 2.966 5.445 3.808 1.00 0.00 C ATOM 263 CG PHE A 20 1.830 5.011 4.690 1.00 0.00 C ATOM 264 CD1 PHE A 20 1.079 3.891 4.373 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.514 5.723 5.836 1.00 0.00 C ATOM 266 CE1 PHE A 20 0.033 3.490 5.182 1.00 0.00 C ATOM 267 CE2 PHE A 20 0.469 5.327 6.649 1.00 0.00 C ATOM 268 CZ PHE A 20 -0.272 4.208 6.322 1.00 0.00 C ATOM 0 H PHE A 20 3.833 3.653 5.270 1.00 0.00 H new ATOM 0 HA PHE A 20 3.230 3.757 2.504 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.614 6.118 4.369 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.567 6.014 2.968 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.314 3.325 3.484 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.091 6.598 6.097 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.546 2.616 4.923 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.232 5.892 7.539 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.088 3.895 6.956 1.00 0.00 H new ATOM 278 N GLU A 21 5.404 4.309 1.449 1.00 0.00 N ATOM 279 CA GLU A 21 6.607 4.730 0.741 1.00 0.00 C ATOM 280 C GLU A 21 6.378 4.728 -0.768 1.00 0.00 C ATOM 281 O GLU A 21 5.296 4.381 -1.242 1.00 0.00 O ATOM 282 CB GLU A 21 7.780 3.813 1.092 1.00 0.00 C ATOM 283 CG GLU A 21 8.524 4.230 2.349 1.00 0.00 C ATOM 284 CD GLU A 21 9.862 3.532 2.494 1.00 0.00 C ATOM 285 OE1 GLU A 21 9.902 2.291 2.354 1.00 0.00 O ATOM 286 OE2 GLU A 21 10.869 4.225 2.746 1.00 0.00 O ATOM 0 H GLU A 21 4.846 3.612 0.956 1.00 0.00 H new ATOM 0 HA GLU A 21 6.845 5.747 1.054 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.409 2.796 1.220 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.479 3.795 0.256 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.681 5.309 2.333 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.908 4.011 3.221 1.00 0.00 H new ATOM 293 N ILE A 22 7.405 5.118 -1.516 1.00 0.00 N ATOM 294 CA ILE A 22 7.317 5.161 -2.970 1.00 0.00 C ATOM 295 C ILE A 22 7.718 3.824 -3.585 1.00 0.00 C ATOM 296 O ILE A 22 8.889 3.446 -3.564 1.00 0.00 O ATOM 297 CB ILE A 22 8.209 6.271 -3.556 1.00 0.00 C ATOM 298 CG1 ILE A 22 7.708 7.646 -3.110 1.00 0.00 C ATOM 299 CG2 ILE A 22 8.240 6.179 -5.074 1.00 0.00 C ATOM 300 CD1 ILE A 22 6.224 7.848 -3.325 1.00 0.00 C ATOM 0 H ILE A 22 8.307 5.409 -1.139 1.00 0.00 H new ATOM 0 HA ILE A 22 6.277 5.374 -3.217 1.00 0.00 H new ATOM 0 HB ILE A 22 9.224 6.136 -3.183 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.935 7.781 -2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.254 8.417 -3.654 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.874 6.970 -5.474 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.638 5.209 -5.372 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.229 6.292 -5.466 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.940 8.844 -2.986 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.993 7.745 -4.385 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.669 7.100 -2.759 1.00 0.00 H new ATOM 312 N GLY A 23 6.738 3.112 -4.133 1.00 0.00 N ATOM 313 CA GLY A 23 7.010 1.826 -4.748 1.00 0.00 C ATOM 314 C GLY A 23 6.688 0.665 -3.828 1.00 0.00 C ATOM 315 O GLY A 23 6.741 -0.494 -4.239 1.00 0.00 O ATOM 0 H GLY A 23 5.761 3.403 -4.162 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.426 1.733 -5.663 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.061 1.778 -5.034 1.00 0.00 H new ATOM 319 N ALA A 24 6.355 0.975 -2.580 1.00 0.00 N ATOM 320 CA ALA A 24 6.023 -0.052 -1.600 1.00 0.00 C ATOM 321 C ALA A 24 4.849 -0.903 -2.073 1.00 0.00 C ATOM 322 O ALA A 24 3.858 -0.382 -2.583 1.00 0.00 O ATOM 323 CB ALA A 24 5.707 0.585 -0.254 1.00 0.00 C ATOM 0 H ALA A 24 6.308 1.929 -2.223 1.00 0.00 H new ATOM 0 HA ALA A 24 6.889 -0.704 -1.487 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.461 -0.193 0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.575 1.144 0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.859 1.261 -0.362 1.00 0.00 H new ATOM 329 N ARG A 25 4.969 -2.215 -1.900 1.00 0.00 N ATOM 330 CA ARG A 25 3.919 -3.139 -2.312 1.00 0.00 C ATOM 331 C ARG A 25 3.043 -3.529 -1.125 1.00 0.00 C ATOM 332 O ARG A 25 3.509 -4.164 -0.178 1.00 0.00 O ATOM 333 CB ARG A 25 4.530 -4.392 -2.942 1.00 0.00 C ATOM 334 CG ARG A 25 5.404 -4.101 -4.151 1.00 0.00 C ATOM 335 CD ARG A 25 6.314 -5.275 -4.476 1.00 0.00 C ATOM 336 NE ARG A 25 7.363 -4.909 -5.423 1.00 0.00 N ATOM 337 CZ ARG A 25 8.464 -4.247 -5.082 1.00 0.00 C ATOM 338 NH1 ARG A 25 8.658 -3.883 -3.822 1.00 0.00 N ATOM 339 NH2 ARG A 25 9.373 -3.950 -6.001 1.00 0.00 N ATOM 0 H ARG A 25 5.783 -2.662 -1.477 1.00 0.00 H new ATOM 0 HA ARG A 25 3.297 -2.636 -3.052 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.124 -4.913 -2.191 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.728 -5.068 -3.238 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.774 -3.879 -5.012 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.007 -3.214 -3.960 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.768 -5.646 -3.557 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.720 -6.090 -4.890 1.00 0.00 H new ATOM 0 HE ARG A 25 7.245 -5.176 -6.400 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.962 -4.111 -3.112 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.504 -3.375 -3.562 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.228 -4.230 -6.971 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.217 -3.442 -5.738 1.00 0.00 H new ATOM 353 N LEU A 26 1.773 -3.145 -1.182 1.00 0.00 N ATOM 354 CA LEU A 26 0.831 -3.454 -0.112 1.00 0.00 C ATOM 355 C LEU A 26 -0.560 -3.733 -0.674 1.00 0.00 C ATOM 356 O LEU A 26 -0.760 -3.733 -1.888 1.00 0.00 O ATOM 357 CB LEU A 26 0.767 -2.298 0.888 1.00 0.00 C ATOM 358 CG LEU A 26 0.435 -0.924 0.304 1.00 0.00 C ATOM 359 CD1 LEU A 26 1.610 -0.387 -0.498 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.814 -0.999 -0.561 1.00 0.00 C ATOM 0 H LEU A 26 1.371 -2.619 -1.958 1.00 0.00 H new ATOM 0 HA LEU A 26 1.182 -4.350 0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.020 -2.539 1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.728 -2.231 1.398 1.00 0.00 H new ATOM 0 HG LEU A 26 0.240 -0.238 1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.355 0.591 -0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.481 -0.294 0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.837 -1.073 -1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.035 -0.012 -0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.648 -1.700 -1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.655 -1.339 0.043 1.00 0.00 H new ATOM 372 N GLU A 27 -1.517 -3.968 0.218 1.00 0.00 N ATOM 373 CA GLU A 27 -2.889 -4.246 -0.190 1.00 0.00 C ATOM 374 C GLU A 27 -3.809 -3.082 0.165 1.00 0.00 C ATOM 375 O GLU A 27 -3.508 -2.288 1.056 1.00 0.00 O ATOM 376 CB GLU A 27 -3.392 -5.529 0.475 1.00 0.00 C ATOM 377 CG GLU A 27 -2.627 -6.773 0.054 1.00 0.00 C ATOM 378 CD GLU A 27 -3.485 -8.023 0.084 1.00 0.00 C ATOM 379 OE1 GLU A 27 -4.470 -8.086 -0.680 1.00 0.00 O ATOM 380 OE2 GLU A 27 -3.170 -8.939 0.873 1.00 0.00 O ATOM 0 H GLU A 27 -1.368 -3.971 1.227 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.899 -4.378 -1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.322 -5.419 1.557 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.447 -5.663 0.235 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.234 -6.630 -0.953 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.770 -6.909 0.714 1.00 0.00 H new ATOM 387 N ALA A 28 -4.932 -2.987 -0.540 1.00 0.00 N ATOM 388 CA ALA A 28 -5.897 -1.921 -0.299 1.00 0.00 C ATOM 389 C ALA A 28 -7.318 -2.471 -0.233 1.00 0.00 C ATOM 390 O ALA A 28 -7.679 -3.378 -0.985 1.00 0.00 O ATOM 391 CB ALA A 28 -5.791 -0.858 -1.382 1.00 0.00 C ATOM 0 H ALA A 28 -5.196 -3.635 -1.282 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.666 -1.467 0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.517 -0.068 -1.189 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.786 -0.435 -1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.993 -1.308 -2.354 1.00 0.00 H new ATOM 397 N LEU A 29 -8.119 -1.920 0.671 1.00 0.00 N ATOM 398 CA LEU A 29 -9.502 -2.356 0.836 1.00 0.00 C ATOM 399 C LEU A 29 -10.424 -1.620 -0.131 1.00 0.00 C ATOM 400 O LEU A 29 -10.673 -0.424 0.022 1.00 0.00 O ATOM 401 CB LEU A 29 -9.963 -2.123 2.276 1.00 0.00 C ATOM 402 CG LEU A 29 -11.285 -2.782 2.672 1.00 0.00 C ATOM 403 CD1 LEU A 29 -11.087 -4.269 2.919 1.00 0.00 C ATOM 404 CD2 LEU A 29 -11.868 -2.107 3.905 1.00 0.00 C ATOM 0 H LEU A 29 -7.835 -1.170 1.302 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.550 -3.422 0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.185 -2.483 2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.052 -1.049 2.439 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.990 -2.663 1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.038 -4.721 3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.714 -4.742 2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.366 -4.411 3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.809 -2.588 4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.166 -2.195 4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -12.048 -1.053 3.692 1.00 0.00 H new ATOM 416 N ASP A 30 -10.929 -2.343 -1.124 1.00 0.00 N ATOM 417 CA ASP A 30 -11.827 -1.759 -2.114 1.00 0.00 C ATOM 418 C ASP A 30 -13.171 -1.403 -1.486 1.00 0.00 C ATOM 419 O ASP A 30 -13.506 -1.878 -0.401 1.00 0.00 O ATOM 420 CB ASP A 30 -12.036 -2.729 -3.279 1.00 0.00 C ATOM 421 CG ASP A 30 -10.737 -3.090 -3.971 1.00 0.00 C ATOM 422 OD1 ASP A 30 -9.837 -3.635 -3.298 1.00 0.00 O ATOM 423 OD2 ASP A 30 -10.620 -2.828 -5.186 1.00 0.00 O ATOM 0 H ASP A 30 -10.732 -3.334 -1.265 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.368 -0.844 -2.490 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.513 -3.637 -2.911 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.718 -2.282 -4.002 1.00 0.00 H new ATOM 428 N TYR A 31 -13.935 -0.562 -2.174 1.00 0.00 N ATOM 429 CA TYR A 31 -15.241 -0.139 -1.682 1.00 0.00 C ATOM 430 C TYR A 31 -16.121 -1.344 -1.365 1.00 0.00 C ATOM 431 O TYR A 31 -17.111 -1.232 -0.641 1.00 0.00 O ATOM 432 CB TYR A 31 -15.933 0.755 -2.713 1.00 0.00 C ATOM 433 CG TYR A 31 -16.487 -0.004 -3.897 1.00 0.00 C ATOM 434 CD1 TYR A 31 -15.664 -0.385 -4.950 1.00 0.00 C ATOM 435 CD2 TYR A 31 -17.834 -0.340 -3.963 1.00 0.00 C ATOM 436 CE1 TYR A 31 -16.167 -1.078 -6.034 1.00 0.00 C ATOM 437 CE2 TYR A 31 -18.344 -1.034 -5.043 1.00 0.00 C ATOM 438 CZ TYR A 31 -17.507 -1.401 -6.076 1.00 0.00 C ATOM 439 OH TYR A 31 -18.012 -2.091 -7.154 1.00 0.00 O ATOM 0 H TYR A 31 -13.673 -0.160 -3.074 1.00 0.00 H new ATOM 0 HA TYR A 31 -15.088 0.428 -0.764 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -16.745 1.295 -2.226 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -15.223 1.501 -3.070 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -14.614 -0.135 -4.920 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -18.493 -0.054 -3.157 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -15.514 -1.365 -6.845 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -19.393 -1.288 -5.078 1.00 0.00 H new ATOM 0 HH TYR A 31 -18.972 -2.239 -7.027 1.00 0.00 H new ATOM 449 N LEU A 32 -15.752 -2.497 -1.911 1.00 0.00 N ATOM 450 CA LEU A 32 -16.506 -3.726 -1.687 1.00 0.00 C ATOM 451 C LEU A 32 -15.899 -4.537 -0.547 1.00 0.00 C ATOM 452 O LEU A 32 -16.165 -5.731 -0.413 1.00 0.00 O ATOM 453 CB LEU A 32 -16.539 -4.567 -2.965 1.00 0.00 C ATOM 454 CG LEU A 32 -17.302 -3.965 -4.145 1.00 0.00 C ATOM 455 CD1 LEU A 32 -16.843 -4.591 -5.453 1.00 0.00 C ATOM 456 CD2 LEU A 32 -18.801 -4.148 -3.961 1.00 0.00 C ATOM 0 H LEU A 32 -14.935 -2.607 -2.512 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.525 -3.453 -1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.512 -4.754 -3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.981 -5.535 -2.728 1.00 0.00 H new ATOM 0 HG LEU A 32 -17.089 -2.897 -4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.397 -4.150 -6.282 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.777 -4.407 -5.590 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.025 -5.665 -5.426 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -19.328 -3.713 -4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -19.032 -5.211 -3.896 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -19.118 -3.651 -3.044 1.00 0.00 H new ATOM 468 N GLN A 33 -15.085 -3.879 0.273 1.00 0.00 N ATOM 469 CA GLN A 33 -14.443 -4.540 1.403 1.00 0.00 C ATOM 470 C GLN A 33 -13.588 -5.713 0.934 1.00 0.00 C ATOM 471 O GLN A 33 -13.391 -6.683 1.665 1.00 0.00 O ATOM 472 CB GLN A 33 -15.494 -5.027 2.401 1.00 0.00 C ATOM 473 CG GLN A 33 -16.277 -3.901 3.058 1.00 0.00 C ATOM 474 CD GLN A 33 -16.866 -4.303 4.395 1.00 0.00 C ATOM 475 OE1 GLN A 33 -16.146 -4.710 5.307 1.00 0.00 O ATOM 476 NE2 GLN A 33 -18.183 -4.190 4.520 1.00 0.00 N ATOM 0 H GLN A 33 -14.855 -2.890 0.176 1.00 0.00 H new ATOM 0 HA GLN A 33 -13.794 -3.815 1.894 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -16.190 -5.691 1.888 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -15.002 -5.616 3.175 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -15.622 -3.041 3.198 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -17.080 -3.585 2.392 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -18.742 -3.848 3.738 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -18.636 -4.445 5.398 1.00 0.00 H new ATOM 485 N LYS A 34 -13.083 -5.617 -0.291 1.00 0.00 N ATOM 486 CA LYS A 34 -12.248 -6.669 -0.859 1.00 0.00 C ATOM 487 C LYS A 34 -10.768 -6.339 -0.694 1.00 0.00 C ATOM 488 O LYS A 34 -10.374 -5.173 -0.741 1.00 0.00 O ATOM 489 CB LYS A 34 -12.576 -6.865 -2.341 1.00 0.00 C ATOM 490 CG LYS A 34 -14.052 -7.097 -2.612 1.00 0.00 C ATOM 491 CD LYS A 34 -14.466 -8.517 -2.265 1.00 0.00 C ATOM 492 CE LYS A 34 -15.030 -8.604 -0.855 1.00 0.00 C ATOM 493 NZ LYS A 34 -15.136 -10.014 -0.387 1.00 0.00 N ATOM 0 H LYS A 34 -13.237 -4.821 -0.910 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.457 -7.594 -0.321 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.247 -5.987 -2.896 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.008 -7.714 -2.721 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.645 -6.392 -2.030 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.265 -6.901 -3.663 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.213 -8.864 -2.979 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.606 -9.180 -2.356 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.392 -8.042 -0.173 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.015 -8.137 -0.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.524 -10.031 0.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.765 -10.545 -1.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.193 -10.452 -0.388 1.00 0.00 H new ATOM 507 N TRP A 35 -9.954 -7.370 -0.503 1.00 0.00 N ATOM 508 CA TRP A 35 -8.517 -7.188 -0.333 1.00 0.00 C ATOM 509 C TRP A 35 -7.768 -7.543 -1.613 1.00 0.00 C ATOM 510 O TRP A 35 -8.024 -8.580 -2.226 1.00 0.00 O ATOM 511 CB TRP A 35 -8.007 -8.047 0.826 1.00 0.00 C ATOM 512 CG TRP A 35 -8.468 -7.567 2.169 1.00 0.00 C ATOM 513 CD1 TRP A 35 -9.376 -8.174 2.988 1.00 0.00 C ATOM 514 CD2 TRP A 35 -8.045 -6.378 2.846 1.00 0.00 C ATOM 515 NE1 TRP A 35 -9.543 -7.434 4.134 1.00 0.00 N ATOM 516 CE2 TRP A 35 -8.737 -6.328 4.072 1.00 0.00 C ATOM 517 CE3 TRP A 35 -7.147 -5.353 2.537 1.00 0.00 C ATOM 518 CZ2 TRP A 35 -8.559 -5.293 4.985 1.00 0.00 C ATOM 519 CZ3 TRP A 35 -6.972 -4.325 3.444 1.00 0.00 C ATOM 520 CH2 TRP A 35 -7.674 -4.302 4.657 1.00 0.00 C ATOM 0 H TRP A 35 -10.264 -8.341 -0.462 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.333 -6.138 -0.106 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.340 -9.075 0.681 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.917 -8.060 0.807 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.888 -9.099 2.768 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -10.166 -7.670 4.906 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -6.600 -5.364 1.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -9.100 -5.273 5.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.283 -3.526 3.214 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -7.513 -3.486 5.346 1.00 0.00 H new ATOM 531 N TYR A 36 -6.843 -6.677 -2.011 1.00 0.00 N ATOM 532 CA TYR A 36 -6.058 -6.899 -3.219 1.00 0.00 C ATOM 533 C TYR A 36 -4.717 -6.176 -3.138 1.00 0.00 C ATOM 534 O TYR A 36 -4.567 -5.166 -2.451 1.00 0.00 O ATOM 535 CB TYR A 36 -6.832 -6.424 -4.450 1.00 0.00 C ATOM 536 CG TYR A 36 -8.085 -7.225 -4.723 1.00 0.00 C ATOM 537 CD1 TYR A 36 -8.011 -8.556 -5.112 1.00 0.00 C ATOM 538 CD2 TYR A 36 -9.343 -6.650 -4.592 1.00 0.00 C ATOM 539 CE1 TYR A 36 -9.153 -9.291 -5.364 1.00 0.00 C ATOM 540 CE2 TYR A 36 -10.491 -7.378 -4.840 1.00 0.00 C ATOM 541 CZ TYR A 36 -10.391 -8.698 -5.226 1.00 0.00 C ATOM 542 OH TYR A 36 -11.531 -9.427 -5.475 1.00 0.00 O ATOM 0 H TYR A 36 -6.618 -5.815 -1.515 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.869 -7.969 -3.307 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.102 -5.376 -4.317 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.180 -6.477 -5.322 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -7.044 -9.025 -5.219 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.425 -5.616 -4.291 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.077 -10.325 -5.668 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.461 -6.916 -4.732 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.319 -8.862 -5.331 1.00 0.00 H new ATOM 552 N PRO A 37 -3.716 -6.706 -3.858 1.00 0.00 N ATOM 553 CA PRO A 37 -2.369 -6.128 -3.886 1.00 0.00 C ATOM 554 C PRO A 37 -2.326 -4.795 -4.625 1.00 0.00 C ATOM 555 O PRO A 37 -3.171 -4.517 -5.476 1.00 0.00 O ATOM 556 CB PRO A 37 -1.547 -7.181 -4.635 1.00 0.00 C ATOM 557 CG PRO A 37 -2.538 -7.904 -5.481 1.00 0.00 C ATOM 558 CD PRO A 37 -3.823 -7.909 -4.701 1.00 0.00 C ATOM 0 HA PRO A 37 -1.998 -5.910 -2.885 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.770 -6.718 -5.243 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.048 -7.859 -3.943 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.667 -7.407 -6.442 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.205 -8.920 -5.690 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.692 -7.863 -5.358 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.925 -8.813 -4.100 1.00 0.00 H new ATOM 566 N SER A 38 -1.335 -3.972 -4.295 1.00 0.00 N ATOM 567 CA SER A 38 -1.184 -2.666 -4.925 1.00 0.00 C ATOM 568 C SER A 38 0.184 -2.067 -4.610 1.00 0.00 C ATOM 569 O SER A 38 0.948 -2.619 -3.819 1.00 0.00 O ATOM 570 CB SER A 38 -2.289 -1.719 -4.455 1.00 0.00 C ATOM 571 OG SER A 38 -3.562 -2.167 -4.886 1.00 0.00 O ATOM 0 H SER A 38 -0.625 -4.187 -3.595 1.00 0.00 H new ATOM 0 HA SER A 38 -1.264 -2.798 -6.004 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.274 -1.649 -3.367 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.102 -0.717 -4.842 1.00 0.00 H new ATOM 0 HG SER A 38 -3.451 -2.882 -5.546 1.00 0.00 H new ATOM 577 N ARG A 39 0.484 -0.933 -5.236 1.00 0.00 N ATOM 578 CA ARG A 39 1.759 -0.258 -5.025 1.00 0.00 C ATOM 579 C ARG A 39 1.559 1.247 -4.876 1.00 0.00 C ATOM 580 O ARG A 39 0.504 1.780 -5.221 1.00 0.00 O ATOM 581 CB ARG A 39 2.710 -0.545 -6.187 1.00 0.00 C ATOM 582 CG ARG A 39 3.596 -1.760 -5.964 1.00 0.00 C ATOM 583 CD ARG A 39 4.614 -1.920 -7.083 1.00 0.00 C ATOM 584 NE ARG A 39 5.526 -0.782 -7.161 1.00 0.00 N ATOM 585 CZ ARG A 39 6.250 -0.493 -8.236 1.00 0.00 C ATOM 586 NH1 ARG A 39 6.168 -1.254 -9.319 1.00 0.00 N ATOM 587 NH2 ARG A 39 7.057 0.560 -8.230 1.00 0.00 N ATOM 0 H ARG A 39 -0.139 -0.463 -5.893 1.00 0.00 H new ATOM 0 HA ARG A 39 2.197 -0.641 -4.103 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.126 -0.694 -7.095 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.341 0.328 -6.353 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.114 -1.664 -5.010 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.978 -2.656 -5.902 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.187 -2.833 -6.924 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.093 -2.033 -8.034 1.00 0.00 H new ATOM 0 HE ARG A 39 5.612 -0.176 -6.345 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.548 -2.064 -9.328 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.725 -1.030 -10.143 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.122 1.148 -7.399 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.613 0.781 -9.056 1.00 0.00 H new ATOM 601 N ILE A 40 2.578 1.926 -4.360 1.00 0.00 N ATOM 602 CA ILE A 40 2.514 3.369 -4.166 1.00 0.00 C ATOM 603 C ILE A 40 3.316 4.103 -5.235 1.00 0.00 C ATOM 604 O ILE A 40 4.545 4.139 -5.187 1.00 0.00 O ATOM 605 CB ILE A 40 3.040 3.775 -2.776 1.00 0.00 C ATOM 606 CG1 ILE A 40 2.058 3.336 -1.688 1.00 0.00 C ATOM 607 CG2 ILE A 40 3.270 5.277 -2.715 1.00 0.00 C ATOM 608 CD1 ILE A 40 2.663 3.315 -0.302 1.00 0.00 C ATOM 0 H ILE A 40 3.458 1.500 -4.069 1.00 0.00 H new ATOM 0 HA ILE A 40 1.464 3.651 -4.244 1.00 0.00 H new ATOM 0 HB ILE A 40 3.993 3.274 -2.603 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.200 4.008 -1.691 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.684 2.341 -1.928 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.641 5.548 -1.727 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.003 5.564 -3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.331 5.797 -2.905 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.911 2.995 0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.503 2.621 -0.282 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.012 4.314 -0.042 1.00 0.00 H new ATOM 620 N GLU A 41 2.612 4.689 -6.198 1.00 0.00 N ATOM 621 CA GLU A 41 3.259 5.424 -7.279 1.00 0.00 C ATOM 622 C GLU A 41 3.785 6.768 -6.784 1.00 0.00 C ATOM 623 O GLU A 41 4.915 7.154 -7.083 1.00 0.00 O ATOM 624 CB GLU A 41 2.281 5.641 -8.435 1.00 0.00 C ATOM 625 CG GLU A 41 2.156 4.441 -9.359 1.00 0.00 C ATOM 626 CD GLU A 41 3.234 4.411 -10.426 1.00 0.00 C ATOM 627 OE1 GLU A 41 3.548 5.485 -10.981 1.00 0.00 O ATOM 628 OE2 GLU A 41 3.762 3.315 -10.705 1.00 0.00 O ATOM 0 H GLU A 41 1.594 4.669 -6.252 1.00 0.00 H new ATOM 0 HA GLU A 41 4.102 4.831 -7.633 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.298 5.880 -8.029 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.604 6.505 -9.016 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.208 3.526 -8.769 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.177 4.456 -9.838 1.00 0.00 H new ATOM 635 N LYS A 42 2.957 7.477 -6.024 1.00 0.00 N ATOM 636 CA LYS A 42 3.337 8.778 -5.485 1.00 0.00 C ATOM 637 C LYS A 42 2.779 8.968 -4.078 1.00 0.00 C ATOM 638 O LYS A 42 2.010 8.141 -3.589 1.00 0.00 O ATOM 639 CB LYS A 42 2.835 9.898 -6.400 1.00 0.00 C ATOM 640 CG LYS A 42 3.587 9.991 -7.716 1.00 0.00 C ATOM 641 CD LYS A 42 2.762 10.696 -8.781 1.00 0.00 C ATOM 642 CE LYS A 42 3.612 11.073 -9.985 1.00 0.00 C ATOM 643 NZ LYS A 42 4.022 9.877 -10.771 1.00 0.00 N ATOM 0 H LYS A 42 2.018 7.172 -5.767 1.00 0.00 H new ATOM 0 HA LYS A 42 4.425 8.819 -5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.776 9.740 -6.606 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.919 10.850 -5.875 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.523 10.529 -7.564 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.847 8.990 -8.059 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.946 10.047 -9.099 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.310 11.593 -8.358 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.052 11.754 -10.626 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.500 11.609 -9.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.599 10.176 -11.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.578 9.239 -10.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.175 9.380 -11.113 1.00 0.00 H new ATOM 657 N ILE A 43 3.171 10.063 -3.435 1.00 0.00 N ATOM 658 CA ILE A 43 2.707 10.362 -2.086 1.00 0.00 C ATOM 659 C ILE A 43 2.626 11.867 -1.853 1.00 0.00 C ATOM 660 O ILE A 43 3.596 12.592 -2.073 1.00 0.00 O ATOM 661 CB ILE A 43 3.631 9.738 -1.022 1.00 0.00 C ATOM 662 CG1 ILE A 43 3.595 8.211 -1.116 1.00 0.00 C ATOM 663 CG2 ILE A 43 3.223 10.198 0.369 1.00 0.00 C ATOM 664 CD1 ILE A 43 4.549 7.525 -0.164 1.00 0.00 C ATOM 0 H ILE A 43 3.808 10.757 -3.826 1.00 0.00 H new ATOM 0 HA ILE A 43 1.712 9.928 -1.991 1.00 0.00 H new ATOM 0 HB ILE A 43 4.652 10.071 -1.209 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.581 7.866 -0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.835 7.912 -2.136 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.885 9.749 1.109 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.295 11.284 0.429 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.196 9.891 0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.470 6.445 -0.285 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.569 7.841 -0.381 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.296 7.794 0.861 1.00 0.00 H new ATOM 676 N ASP A 44 1.464 12.329 -1.406 1.00 0.00 N ATOM 677 CA ASP A 44 1.256 13.747 -1.140 1.00 0.00 C ATOM 678 C ASP A 44 1.266 14.026 0.360 1.00 0.00 C ATOM 679 O ASP A 44 0.290 13.755 1.059 1.00 0.00 O ATOM 680 CB ASP A 44 -0.067 14.214 -1.749 1.00 0.00 C ATOM 681 CG ASP A 44 -0.061 15.693 -2.083 1.00 0.00 C ATOM 682 OD1 ASP A 44 0.462 16.483 -1.269 1.00 0.00 O ATOM 683 OD2 ASP A 44 -0.578 16.060 -3.159 1.00 0.00 O ATOM 0 H ASP A 44 0.651 11.742 -1.220 1.00 0.00 H new ATOM 0 HA ASP A 44 2.074 14.301 -1.600 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.269 13.641 -2.654 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.878 14.005 -1.052 1.00 0.00 H new ATOM 688 N TYR A 45 2.376 14.569 0.848 1.00 0.00 N ATOM 689 CA TYR A 45 2.515 14.881 2.265 1.00 0.00 C ATOM 690 C TYR A 45 1.844 16.210 2.598 1.00 0.00 C ATOM 691 O TYR A 45 1.430 16.441 3.734 1.00 0.00 O ATOM 692 CB TYR A 45 3.993 14.932 2.656 1.00 0.00 C ATOM 693 CG TYR A 45 4.632 13.568 2.785 1.00 0.00 C ATOM 694 CD1 TYR A 45 4.800 12.749 1.675 1.00 0.00 C ATOM 695 CD2 TYR A 45 5.070 13.098 4.017 1.00 0.00 C ATOM 696 CE1 TYR A 45 5.382 11.502 1.789 1.00 0.00 C ATOM 697 CE2 TYR A 45 5.655 11.853 4.140 1.00 0.00 C ATOM 698 CZ TYR A 45 5.809 11.058 3.024 1.00 0.00 C ATOM 699 OH TYR A 45 6.391 9.817 3.141 1.00 0.00 O ATOM 0 H TYR A 45 3.192 14.802 0.283 1.00 0.00 H new ATOM 0 HA TYR A 45 2.023 14.092 2.834 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.538 15.510 1.910 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.092 15.461 3.604 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.470 13.094 0.706 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.951 13.717 4.894 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.502 10.877 0.916 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.990 11.504 5.105 1.00 0.00 H new ATOM 0 HH TYR A 45 6.636 9.657 4.076 1.00 0.00 H new ATOM 709 N GLU A 46 1.740 17.080 1.599 1.00 0.00 N ATOM 710 CA GLU A 46 1.119 18.386 1.785 1.00 0.00 C ATOM 711 C GLU A 46 -0.401 18.263 1.842 1.00 0.00 C ATOM 712 O GLU A 46 -1.072 19.042 2.519 1.00 0.00 O ATOM 713 CB GLU A 46 1.523 19.334 0.653 1.00 0.00 C ATOM 714 CG GLU A 46 3.020 19.575 0.566 1.00 0.00 C ATOM 715 CD GLU A 46 3.538 20.441 1.698 1.00 0.00 C ATOM 716 OE1 GLU A 46 2.766 21.285 2.199 1.00 0.00 O ATOM 717 OE2 GLU A 46 4.715 20.275 2.082 1.00 0.00 O ATOM 0 H GLU A 46 2.078 16.904 0.653 1.00 0.00 H new ATOM 0 HA GLU A 46 1.469 18.794 2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.174 18.924 -0.295 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.017 20.289 0.793 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.540 18.617 0.579 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.253 20.051 -0.387 1.00 0.00 H new ATOM 724 N GLU A 47 -0.937 17.279 1.126 1.00 0.00 N ATOM 725 CA GLU A 47 -2.377 17.055 1.095 1.00 0.00 C ATOM 726 C GLU A 47 -2.765 15.883 1.991 1.00 0.00 C ATOM 727 O GLU A 47 -3.761 15.940 2.711 1.00 0.00 O ATOM 728 CB GLU A 47 -2.843 16.792 -0.339 1.00 0.00 C ATOM 729 CG GLU A 47 -2.904 18.043 -1.198 1.00 0.00 C ATOM 730 CD GLU A 47 -3.374 19.260 -0.425 1.00 0.00 C ATOM 731 OE1 GLU A 47 -4.448 19.183 0.206 1.00 0.00 O ATOM 732 OE2 GLU A 47 -2.667 20.290 -0.451 1.00 0.00 O ATOM 0 H GLU A 47 -0.396 16.625 0.560 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.867 17.953 1.470 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.169 16.074 -0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.830 16.331 -0.312 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.917 18.241 -1.615 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.576 17.869 -2.039 1.00 0.00 H new ATOM 739 N GLY A 48 -1.970 14.818 1.940 1.00 0.00 N ATOM 740 CA GLY A 48 -2.247 13.646 2.750 1.00 0.00 C ATOM 741 C GLY A 48 -2.809 12.498 1.936 1.00 0.00 C ATOM 742 O GLY A 48 -3.441 11.592 2.480 1.00 0.00 O ATOM 0 H GLY A 48 -1.139 14.746 1.352 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.330 13.323 3.242 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.954 13.910 3.536 1.00 0.00 H new ATOM 746 N LYS A 49 -2.581 12.535 0.627 1.00 0.00 N ATOM 747 CA LYS A 49 -3.069 11.490 -0.265 1.00 0.00 C ATOM 748 C LYS A 49 -1.932 10.914 -1.102 1.00 0.00 C ATOM 749 O LYS A 49 -1.047 11.643 -1.549 1.00 0.00 O ATOM 750 CB LYS A 49 -4.162 12.044 -1.182 1.00 0.00 C ATOM 751 CG LYS A 49 -3.717 13.241 -2.004 1.00 0.00 C ATOM 752 CD LYS A 49 -4.593 13.431 -3.231 1.00 0.00 C ATOM 753 CE LYS A 49 -3.923 14.329 -4.260 1.00 0.00 C ATOM 754 NZ LYS A 49 -4.237 15.766 -4.030 1.00 0.00 N ATOM 0 H LYS A 49 -2.061 13.278 0.160 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.487 10.690 0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.494 11.254 -1.856 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.022 12.329 -0.577 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.752 14.140 -1.388 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.680 13.106 -2.313 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.809 12.461 -3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.548 13.865 -2.934 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.844 14.183 -4.222 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.249 14.042 -5.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.670 16.353 -4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.248 15.933 -4.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.012 16.017 -3.046 1.00 0.00 H new ATOM 768 N MET A 50 -1.962 9.602 -1.310 1.00 0.00 N ATOM 769 CA MET A 50 -0.934 8.929 -2.096 1.00 0.00 C ATOM 770 C MET A 50 -1.544 8.242 -3.314 1.00 0.00 C ATOM 771 O MET A 50 -2.682 7.771 -3.269 1.00 0.00 O ATOM 772 CB MET A 50 -0.193 7.904 -1.235 1.00 0.00 C ATOM 773 CG MET A 50 -1.042 7.321 -0.118 1.00 0.00 C ATOM 774 SD MET A 50 -0.274 5.890 0.664 1.00 0.00 S ATOM 775 CE MET A 50 -1.534 4.644 0.403 1.00 0.00 C ATOM 0 H MET A 50 -2.687 8.984 -0.945 1.00 0.00 H new ATOM 0 HA MET A 50 -0.226 9.681 -2.442 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.160 7.094 -1.873 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.689 8.376 -0.801 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.222 8.089 0.635 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.014 7.033 -0.518 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.213 3.703 0.848 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.466 4.966 0.868 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.691 4.504 -0.666 1.00 0.00 H new ATOM 785 N LEU A 51 -0.782 8.187 -4.400 1.00 0.00 N ATOM 786 CA LEU A 51 -1.247 7.557 -5.631 1.00 0.00 C ATOM 787 C LEU A 51 -0.940 6.063 -5.627 1.00 0.00 C ATOM 788 O LEU A 51 0.187 5.649 -5.899 1.00 0.00 O ATOM 789 CB LEU A 51 -0.596 8.220 -6.845 1.00 0.00 C ATOM 790 CG LEU A 51 -1.407 8.194 -8.141 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.516 8.494 -9.335 1.00 0.00 C ATOM 792 CD2 LEU A 51 -2.096 6.848 -8.311 1.00 0.00 C ATOM 0 H LEU A 51 0.161 8.571 -4.454 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.328 7.687 -5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.382 9.259 -6.595 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.362 7.733 -7.030 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.173 8.967 -8.084 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.111 8.471 -10.248 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.070 9.482 -9.217 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.273 7.745 -9.397 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.669 6.847 -9.238 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.346 6.057 -8.347 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.767 6.674 -7.470 1.00 0.00 H new ATOM 804 N VAL A 52 -1.951 5.256 -5.320 1.00 0.00 N ATOM 805 CA VAL A 52 -1.790 3.808 -5.285 1.00 0.00 C ATOM 806 C VAL A 52 -2.398 3.157 -6.522 1.00 0.00 C ATOM 807 O VAL A 52 -3.480 3.539 -6.970 1.00 0.00 O ATOM 808 CB VAL A 52 -2.441 3.201 -4.027 1.00 0.00 C ATOM 809 CG1 VAL A 52 -3.930 3.511 -3.993 1.00 0.00 C ATOM 810 CG2 VAL A 52 -2.199 1.700 -3.974 1.00 0.00 C ATOM 0 H VAL A 52 -2.890 5.581 -5.092 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.718 3.609 -5.263 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.981 3.652 -3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.372 3.074 -3.098 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.077 4.591 -3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.410 3.090 -4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.665 1.288 -3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.631 1.230 -4.858 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.127 1.505 -3.947 1.00 0.00 H new ATOM 820 N HIS A 53 -1.696 2.171 -7.072 1.00 0.00 N ATOM 821 CA HIS A 53 -2.167 1.466 -8.258 1.00 0.00 C ATOM 822 C HIS A 53 -2.535 0.024 -7.922 1.00 0.00 C ATOM 823 O HIS A 53 -1.861 -0.631 -7.127 1.00 0.00 O ATOM 824 CB HIS A 53 -1.097 1.490 -9.350 1.00 0.00 C ATOM 825 CG HIS A 53 -0.212 0.281 -9.348 1.00 0.00 C ATOM 826 ND1 HIS A 53 -0.659 -0.979 -9.686 1.00 0.00 N ATOM 827 CD2 HIS A 53 1.101 0.145 -9.049 1.00 0.00 C ATOM 828 CE1 HIS A 53 0.340 -1.838 -9.593 1.00 0.00 C ATOM 829 NE2 HIS A 53 1.420 -1.181 -9.209 1.00 0.00 N ATOM 0 H HIS A 53 -0.799 1.842 -6.715 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.059 1.975 -8.623 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.583 1.573 -10.322 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.482 2.381 -9.225 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.773 0.933 -8.742 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.284 -2.897 -9.796 1.00 0.00 H new ATOM 0 HE2 HIS A 53 2.341 -1.592 -9.056 1.00 0.00 H new ATOM 837 N PHE A 54 -3.610 -0.465 -8.532 1.00 0.00 N ATOM 838 CA PHE A 54 -4.070 -1.828 -8.296 1.00 0.00 C ATOM 839 C PHE A 54 -3.467 -2.789 -9.317 1.00 0.00 C ATOM 840 O PHE A 54 -3.354 -2.465 -10.498 1.00 0.00 O ATOM 841 CB PHE A 54 -5.597 -1.893 -8.358 1.00 0.00 C ATOM 842 CG PHE A 54 -6.273 -1.236 -7.189 1.00 0.00 C ATOM 843 CD1 PHE A 54 -6.523 0.127 -7.193 1.00 0.00 C ATOM 844 CD2 PHE A 54 -6.658 -1.981 -6.086 1.00 0.00 C ATOM 845 CE1 PHE A 54 -7.144 0.734 -6.117 1.00 0.00 C ATOM 846 CE2 PHE A 54 -7.279 -1.379 -5.008 1.00 0.00 C ATOM 847 CZ PHE A 54 -7.524 -0.020 -5.024 1.00 0.00 C ATOM 0 H PHE A 54 -4.179 0.063 -9.194 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.742 -2.128 -7.301 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -5.936 -1.417 -9.278 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.907 -2.937 -8.407 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -6.230 0.721 -8.046 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -6.471 -3.044 -6.068 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -7.332 1.797 -6.131 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -7.572 -1.971 -4.154 1.00 0.00 H new ATOM 0 HZ PHE A 54 -8.012 0.452 -4.184 1.00 0.00 H new ATOM 857 N GLU A 55 -3.081 -3.973 -8.850 1.00 0.00 N ATOM 858 CA GLU A 55 -2.489 -4.981 -9.722 1.00 0.00 C ATOM 859 C GLU A 55 -3.428 -5.322 -10.876 1.00 0.00 C ATOM 860 O GLU A 55 -3.034 -5.282 -12.042 1.00 0.00 O ATOM 861 CB GLU A 55 -2.161 -6.246 -8.927 1.00 0.00 C ATOM 862 CG GLU A 55 -0.894 -6.132 -8.097 1.00 0.00 C ATOM 863 CD GLU A 55 0.365 -6.197 -8.941 1.00 0.00 C ATOM 864 OE1 GLU A 55 0.759 -5.152 -9.499 1.00 0.00 O ATOM 865 OE2 GLU A 55 0.954 -7.293 -9.044 1.00 0.00 O ATOM 0 H GLU A 55 -3.168 -4.257 -7.874 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.568 -4.571 -10.135 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.997 -6.478 -8.268 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.059 -7.083 -9.618 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.909 -5.192 -7.545 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.874 -6.934 -7.359 1.00 0.00 H new ATOM 872 N ARG A 56 -4.669 -5.657 -10.542 1.00 0.00 N ATOM 873 CA ARG A 56 -5.664 -6.006 -11.550 1.00 0.00 C ATOM 874 C ARG A 56 -7.067 -5.635 -11.080 1.00 0.00 C ATOM 875 O ARG A 56 -7.525 -6.098 -10.035 1.00 0.00 O ATOM 876 CB ARG A 56 -5.598 -7.502 -11.864 1.00 0.00 C ATOM 877 CG ARG A 56 -6.029 -7.846 -13.280 1.00 0.00 C ATOM 878 CD ARG A 56 -7.531 -8.066 -13.368 1.00 0.00 C ATOM 879 NE ARG A 56 -7.950 -9.275 -12.662 1.00 0.00 N ATOM 880 CZ ARG A 56 -9.128 -9.861 -12.843 1.00 0.00 C ATOM 881 NH1 ARG A 56 -10.000 -9.352 -13.702 1.00 0.00 N ATOM 882 NH2 ARG A 56 -9.436 -10.958 -12.164 1.00 0.00 N ATOM 0 H ARG A 56 -5.010 -5.694 -9.582 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.442 -5.441 -12.455 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.578 -7.853 -11.708 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.231 -8.041 -11.159 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.738 -7.042 -13.955 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.509 -8.745 -13.612 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.049 -7.203 -12.948 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.826 -8.137 -14.415 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.302 -9.692 -11.993 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.767 -8.508 -14.226 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.904 -9.804 -13.839 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.768 -11.352 -11.502 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.341 -11.407 -12.304 1.00 0.00 H new ATOM 896 N TRP A 57 -7.743 -4.798 -11.858 1.00 0.00 N ATOM 897 CA TRP A 57 -9.095 -4.364 -11.521 1.00 0.00 C ATOM 898 C TRP A 57 -9.741 -3.636 -12.694 1.00 0.00 C ATOM 899 O TRP A 57 -9.155 -3.534 -13.772 1.00 0.00 O ATOM 900 CB TRP A 57 -9.069 -3.454 -10.292 1.00 0.00 C ATOM 901 CG TRP A 57 -10.351 -3.466 -9.517 1.00 0.00 C ATOM 902 CD1 TRP A 57 -11.256 -4.486 -9.445 1.00 0.00 C ATOM 903 CD2 TRP A 57 -10.872 -2.407 -8.706 1.00 0.00 C ATOM 904 NE1 TRP A 57 -12.309 -4.125 -8.639 1.00 0.00 N ATOM 905 CE2 TRP A 57 -12.097 -2.855 -8.172 1.00 0.00 C ATOM 906 CE3 TRP A 57 -10.423 -1.125 -8.378 1.00 0.00 C ATOM 907 CZ2 TRP A 57 -12.874 -2.065 -7.330 1.00 0.00 C ATOM 908 CZ3 TRP A 57 -11.197 -0.342 -7.542 1.00 0.00 C ATOM 909 CH2 TRP A 57 -12.410 -0.814 -7.025 1.00 0.00 C ATOM 0 H TRP A 57 -7.378 -4.406 -12.726 1.00 0.00 H new ATOM 0 HA TRP A 57 -9.689 -5.250 -11.296 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -8.254 -3.763 -9.637 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -8.854 -2.434 -10.609 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -11.159 -5.437 -9.948 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.117 -4.708 -8.423 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -9.488 -0.753 -8.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -13.810 -2.426 -6.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -10.860 0.651 -7.283 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -12.991 -0.178 -6.373 1.00 0.00 H new ATOM 920 N SER A 58 -10.951 -3.131 -12.478 1.00 0.00 N ATOM 921 CA SER A 58 -11.678 -2.415 -13.520 1.00 0.00 C ATOM 922 C SER A 58 -10.812 -1.318 -14.131 1.00 0.00 C ATOM 923 O SER A 58 -9.634 -1.182 -13.797 1.00 0.00 O ATOM 924 CB SER A 58 -12.962 -1.809 -12.950 1.00 0.00 C ATOM 925 OG SER A 58 -12.677 -0.916 -11.887 1.00 0.00 O ATOM 0 H SER A 58 -11.449 -3.204 -11.591 1.00 0.00 H new ATOM 0 HA SER A 58 -11.937 -3.127 -14.303 1.00 0.00 H new ATOM 0 HB2 SER A 58 -13.500 -1.281 -13.738 1.00 0.00 H new ATOM 0 HB3 SER A 58 -13.617 -2.605 -12.595 1.00 0.00 H new ATOM 0 HG SER A 58 -13.514 -0.541 -11.541 1.00 0.00 H new ATOM 931 N HIS A 59 -11.404 -0.536 -15.028 1.00 0.00 N ATOM 932 CA HIS A 59 -10.687 0.550 -15.687 1.00 0.00 C ATOM 933 C HIS A 59 -9.974 1.429 -14.664 1.00 0.00 C ATOM 934 O HIS A 59 -9.056 2.175 -15.005 1.00 0.00 O ATOM 935 CB HIS A 59 -11.652 1.396 -16.518 1.00 0.00 C ATOM 936 CG HIS A 59 -12.973 1.627 -15.851 1.00 0.00 C ATOM 937 ND1 HIS A 59 -13.232 2.721 -15.052 1.00 0.00 N ATOM 938 CD2 HIS A 59 -14.114 0.898 -15.869 1.00 0.00 C ATOM 939 CE1 HIS A 59 -14.473 2.654 -14.606 1.00 0.00 C ATOM 940 NE2 HIS A 59 -15.031 1.557 -15.087 1.00 0.00 N ATOM 0 H HIS A 59 -12.378 -0.634 -15.315 1.00 0.00 H new ATOM 0 HA HIS A 59 -9.939 0.111 -16.347 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -11.188 2.359 -16.730 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -11.819 0.905 -17.477 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.273 -0.029 -16.400 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -14.951 3.374 -13.958 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -15.987 1.250 -14.907 1.00 0.00 H new ATOM 948 N ARG A 60 -10.402 1.336 -13.409 1.00 0.00 N ATOM 949 CA ARG A 60 -9.805 2.124 -12.337 1.00 0.00 C ATOM 950 C ARG A 60 -8.539 1.455 -11.812 1.00 0.00 C ATOM 951 O ARG A 60 -8.543 0.850 -10.739 1.00 0.00 O ATOM 952 CB ARG A 60 -10.807 2.312 -11.196 1.00 0.00 C ATOM 953 CG ARG A 60 -12.014 3.153 -11.578 1.00 0.00 C ATOM 954 CD ARG A 60 -12.963 3.330 -10.403 1.00 0.00 C ATOM 955 NE ARG A 60 -12.619 4.495 -9.592 1.00 0.00 N ATOM 956 CZ ARG A 60 -12.837 5.748 -9.976 1.00 0.00 C ATOM 957 NH1 ARG A 60 -13.397 5.997 -11.152 1.00 0.00 N ATOM 958 NH2 ARG A 60 -12.497 6.755 -9.182 1.00 0.00 N ATOM 0 H ARG A 60 -11.160 0.723 -13.110 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.538 3.100 -12.742 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.149 1.333 -10.859 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -10.300 2.781 -10.352 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.682 4.130 -11.929 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.542 2.679 -12.406 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.983 3.435 -10.773 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.940 2.435 -9.781 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.188 4.338 -8.681 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.662 5.225 -11.764 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.563 6.960 -11.444 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.068 6.568 -8.276 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.665 7.717 -9.478 1.00 0.00 H new ATOM 972 N TYR A 61 -7.456 1.568 -12.574 1.00 0.00 N ATOM 973 CA TYR A 61 -6.183 0.972 -12.187 1.00 0.00 C ATOM 974 C TYR A 61 -5.495 1.808 -11.112 1.00 0.00 C ATOM 975 O TYR A 61 -5.209 1.320 -10.019 1.00 0.00 O ATOM 976 CB TYR A 61 -5.269 0.835 -13.405 1.00 0.00 C ATOM 977 CG TYR A 61 -5.425 -0.481 -14.134 1.00 0.00 C ATOM 978 CD1 TYR A 61 -4.775 -1.626 -13.688 1.00 0.00 C ATOM 979 CD2 TYR A 61 -6.222 -0.580 -15.267 1.00 0.00 C ATOM 980 CE1 TYR A 61 -4.914 -2.830 -14.351 1.00 0.00 C ATOM 981 CE2 TYR A 61 -6.368 -1.780 -15.936 1.00 0.00 C ATOM 982 CZ TYR A 61 -5.711 -2.902 -15.474 1.00 0.00 C ATOM 983 OH TYR A 61 -5.853 -4.099 -16.136 1.00 0.00 O ATOM 0 H TYR A 61 -7.435 2.067 -13.463 1.00 0.00 H new ATOM 0 HA TYR A 61 -6.384 -0.019 -11.779 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.476 1.651 -14.097 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.233 0.943 -13.085 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -4.151 -1.573 -12.808 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.737 0.297 -15.632 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.401 -3.710 -13.992 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.993 -1.839 -16.815 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.448 -3.979 -16.905 1.00 0.00 H new ATOM 993 N ASP A 62 -5.233 3.071 -11.432 1.00 0.00 N ATOM 994 CA ASP A 62 -4.580 3.977 -10.494 1.00 0.00 C ATOM 995 C ASP A 62 -5.597 4.903 -9.836 1.00 0.00 C ATOM 996 O ASP A 62 -6.478 5.446 -10.502 1.00 0.00 O ATOM 997 CB ASP A 62 -3.510 4.802 -11.211 1.00 0.00 C ATOM 998 CG ASP A 62 -2.883 4.054 -12.372 1.00 0.00 C ATOM 999 OD1 ASP A 62 -3.498 4.023 -13.459 1.00 0.00 O ATOM 1000 OD2 ASP A 62 -1.779 3.500 -12.193 1.00 0.00 O ATOM 0 H ASP A 62 -5.463 3.490 -12.333 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.106 3.377 -9.717 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.954 5.728 -11.576 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -2.733 5.080 -10.500 1.00 0.00 H new ATOM 1005 N GLU A 63 -5.470 5.078 -8.524 1.00 0.00 N ATOM 1006 CA GLU A 63 -6.380 5.937 -7.776 1.00 0.00 C ATOM 1007 C GLU A 63 -5.744 6.392 -6.465 1.00 0.00 C ATOM 1008 O GLU A 63 -5.210 5.582 -5.708 1.00 0.00 O ATOM 1009 CB GLU A 63 -7.692 5.203 -7.492 1.00 0.00 C ATOM 1010 CG GLU A 63 -8.461 5.767 -6.309 1.00 0.00 C ATOM 1011 CD GLU A 63 -9.869 5.212 -6.211 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -10.011 3.992 -5.987 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -10.828 5.998 -6.358 1.00 0.00 O ATOM 0 H GLU A 63 -4.746 4.636 -7.958 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.589 6.818 -8.383 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.323 5.248 -8.380 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.477 4.151 -7.307 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.921 5.543 -5.389 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.507 6.853 -6.395 1.00 0.00 H new ATOM 1020 N TRP A 64 -5.807 7.693 -6.205 1.00 0.00 N ATOM 1021 CA TRP A 64 -5.237 8.257 -4.987 1.00 0.00 C ATOM 1022 C TRP A 64 -6.039 7.828 -3.762 1.00 0.00 C ATOM 1023 O TRP A 64 -7.267 7.916 -3.752 1.00 0.00 O ATOM 1024 CB TRP A 64 -5.197 9.783 -5.077 1.00 0.00 C ATOM 1025 CG TRP A 64 -4.213 10.293 -6.086 1.00 0.00 C ATOM 1026 CD1 TRP A 64 -4.407 10.410 -7.433 1.00 0.00 C ATOM 1027 CD2 TRP A 64 -2.882 10.752 -5.828 1.00 0.00 C ATOM 1028 NE1 TRP A 64 -3.276 10.915 -8.028 1.00 0.00 N ATOM 1029 CE2 TRP A 64 -2.326 11.134 -7.065 1.00 0.00 C ATOM 1030 CE3 TRP A 64 -2.106 10.881 -4.673 1.00 0.00 C ATOM 1031 CZ2 TRP A 64 -1.031 11.633 -7.177 1.00 0.00 C ATOM 1032 CZ3 TRP A 64 -0.821 11.376 -4.786 1.00 0.00 C ATOM 1033 CH2 TRP A 64 -0.294 11.748 -6.030 1.00 0.00 C ATOM 0 H TRP A 64 -6.247 8.377 -6.821 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.220 7.880 -4.883 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.191 10.151 -5.331 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.947 10.191 -4.098 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.315 10.145 -7.954 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.162 11.097 -9.025 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.504 10.599 -3.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -0.623 11.919 -8.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.212 11.478 -3.900 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.714 12.133 -6.084 1.00 0.00 H new ATOM 1044 N ILE A 65 -5.337 7.365 -2.734 1.00 0.00 N ATOM 1045 CA ILE A 65 -5.984 6.925 -1.504 1.00 0.00 C ATOM 1046 C ILE A 65 -5.304 7.525 -0.279 1.00 0.00 C ATOM 1047 O ILE A 65 -4.114 7.308 -0.047 1.00 0.00 O ATOM 1048 CB ILE A 65 -5.975 5.390 -1.382 1.00 0.00 C ATOM 1049 CG1 ILE A 65 -6.708 4.758 -2.567 1.00 0.00 C ATOM 1050 CG2 ILE A 65 -6.611 4.959 -0.068 1.00 0.00 C ATOM 1051 CD1 ILE A 65 -6.738 3.246 -2.522 1.00 0.00 C ATOM 0 H ILE A 65 -4.320 7.285 -2.728 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.016 7.272 -1.549 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.941 5.046 -1.393 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.731 5.133 -2.593 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.228 5.076 -3.492 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.597 3.871 0.003 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.050 5.384 0.764 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.642 5.312 -0.030 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.273 2.867 -3.392 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.718 2.862 -2.527 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.244 2.919 -1.614 1.00 0.00 H new ATOM 1063 N TYR A 66 -6.066 8.280 0.504 1.00 0.00 N ATOM 1064 CA TYR A 66 -5.537 8.913 1.706 1.00 0.00 C ATOM 1065 C TYR A 66 -4.781 7.904 2.565 1.00 0.00 C ATOM 1066 O TYR A 66 -5.356 6.927 3.046 1.00 0.00 O ATOM 1067 CB TYR A 66 -6.671 9.542 2.518 1.00 0.00 C ATOM 1068 CG TYR A 66 -7.283 10.758 1.861 1.00 0.00 C ATOM 1069 CD1 TYR A 66 -6.484 11.731 1.273 1.00 0.00 C ATOM 1070 CD2 TYR A 66 -8.661 10.935 1.829 1.00 0.00 C ATOM 1071 CE1 TYR A 66 -7.039 12.844 0.672 1.00 0.00 C ATOM 1072 CE2 TYR A 66 -9.225 12.045 1.229 1.00 0.00 C ATOM 1073 CZ TYR A 66 -8.410 12.996 0.652 1.00 0.00 C ATOM 1074 OH TYR A 66 -8.968 14.103 0.055 1.00 0.00 O ATOM 0 H TYR A 66 -7.053 8.469 0.328 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.842 9.695 1.399 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.449 8.796 2.678 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.291 9.823 3.500 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.410 11.615 1.286 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.302 10.193 2.281 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.403 13.591 0.220 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.298 12.167 1.212 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.944 14.056 0.127 1.00 0.00 H new ATOM 1084 N TRP A 67 -3.489 8.148 2.753 1.00 0.00 N ATOM 1085 CA TRP A 67 -2.653 7.262 3.554 1.00 0.00 C ATOM 1086 C TRP A 67 -3.154 7.194 4.993 1.00 0.00 C ATOM 1087 O TRP A 67 -2.674 6.387 5.789 1.00 0.00 O ATOM 1088 CB TRP A 67 -1.199 7.738 3.530 1.00 0.00 C ATOM 1089 CG TRP A 67 -1.039 9.177 3.916 1.00 0.00 C ATOM 1090 CD1 TRP A 67 -2.037 10.076 4.161 1.00 0.00 C ATOM 1091 CD2 TRP A 67 0.193 9.883 4.100 1.00 0.00 C ATOM 1092 NE1 TRP A 67 -1.500 11.298 4.486 1.00 0.00 N ATOM 1093 CE2 TRP A 67 -0.134 11.206 4.457 1.00 0.00 C ATOM 1094 CE3 TRP A 67 1.540 9.526 4.001 1.00 0.00 C ATOM 1095 CZ2 TRP A 67 0.838 12.170 4.712 1.00 0.00 C ATOM 1096 CZ3 TRP A 67 2.504 10.483 4.255 1.00 0.00 C ATOM 1097 CH2 TRP A 67 2.149 11.792 4.608 1.00 0.00 C ATOM 0 H TRP A 67 -2.998 8.952 2.362 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.708 6.263 3.122 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.611 7.120 4.208 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -0.792 7.590 2.530 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -3.093 9.858 4.107 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.033 12.138 4.712 1.00 0.00 H new ATOM 0 HE3 TRP A 67 1.823 8.519 3.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.567 13.180 4.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.548 10.218 4.180 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.926 12.517 4.802 1.00 0.00 H new ATOM 1108 N ASP A 68 -4.120 8.045 5.319 1.00 0.00 N ATOM 1109 CA ASP A 68 -4.687 8.080 6.662 1.00 0.00 C ATOM 1110 C ASP A 68 -6.087 7.474 6.677 1.00 0.00 C ATOM 1111 O ASP A 68 -6.868 7.713 7.598 1.00 0.00 O ATOM 1112 CB ASP A 68 -4.735 9.517 7.181 1.00 0.00 C ATOM 1113 CG ASP A 68 -5.453 9.629 8.512 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -4.943 9.079 9.510 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -6.526 10.267 8.554 1.00 0.00 O ATOM 0 H ASP A 68 -4.527 8.720 4.672 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.047 7.487 7.315 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.718 9.896 7.287 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.236 10.149 6.447 1.00 0.00 H new ATOM 1120 N SER A 69 -6.397 6.688 5.651 1.00 0.00 N ATOM 1121 CA SER A 69 -7.705 6.052 5.543 1.00 0.00 C ATOM 1122 C SER A 69 -7.756 4.772 6.372 1.00 0.00 C ATOM 1123 O SER A 69 -8.828 4.321 6.771 1.00 0.00 O ATOM 1124 CB SER A 69 -8.025 5.739 4.080 1.00 0.00 C ATOM 1125 OG SER A 69 -9.421 5.784 3.842 1.00 0.00 O ATOM 0 H SER A 69 -5.760 6.476 4.883 1.00 0.00 H new ATOM 0 HA SER A 69 -8.452 6.745 5.930 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.519 6.456 3.433 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.641 4.752 3.824 1.00 0.00 H new ATOM 0 HG SER A 69 -9.586 5.918 2.885 1.00 0.00 H new ATOM 1131 N ASN A 70 -6.587 4.192 6.625 1.00 0.00 N ATOM 1132 CA ASN A 70 -6.497 2.963 7.405 1.00 0.00 C ATOM 1133 C ASN A 70 -7.208 1.815 6.696 1.00 0.00 C ATOM 1134 O ASN A 70 -7.667 0.867 7.334 1.00 0.00 O ATOM 1135 CB ASN A 70 -7.102 3.171 8.795 1.00 0.00 C ATOM 1136 CG ASN A 70 -7.059 1.912 9.639 1.00 0.00 C ATOM 1137 OD1 ASN A 70 -8.081 1.467 10.161 1.00 0.00 O ATOM 1138 ND2 ASN A 70 -5.873 1.332 9.777 1.00 0.00 N ATOM 0 H ASN A 70 -5.690 4.553 6.301 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.443 2.705 7.509 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.562 3.967 9.308 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.136 3.501 8.693 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.783 0.482 10.334 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.052 1.736 9.326 1.00 0.00 H new ATOM 1145 N ARG A 71 -7.295 1.907 5.373 1.00 0.00 N ATOM 1146 CA ARG A 71 -7.950 0.877 4.577 1.00 0.00 C ATOM 1147 C ARG A 71 -6.922 0.011 3.855 1.00 0.00 C ATOM 1148 O ARG A 71 -7.240 -0.661 2.873 1.00 0.00 O ATOM 1149 CB ARG A 71 -8.900 1.514 3.560 1.00 0.00 C ATOM 1150 CG ARG A 71 -9.980 2.376 4.193 1.00 0.00 C ATOM 1151 CD ARG A 71 -10.686 3.236 3.156 1.00 0.00 C ATOM 1152 NE ARG A 71 -11.741 4.053 3.749 1.00 0.00 N ATOM 1153 CZ ARG A 71 -12.773 4.531 3.063 1.00 0.00 C ATOM 1154 NH1 ARG A 71 -12.888 4.275 1.767 1.00 0.00 N ATOM 1155 NH2 ARG A 71 -13.693 5.268 3.673 1.00 0.00 N ATOM 0 H ARG A 71 -6.920 2.685 4.830 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.524 0.243 5.252 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.321 2.123 2.866 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.373 0.726 2.974 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -10.708 1.739 4.695 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.536 3.015 4.956 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.959 3.883 2.666 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.114 2.596 2.385 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.682 4.268 4.744 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.183 3.710 1.294 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.682 4.643 1.243 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.608 5.468 4.670 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -14.485 5.635 3.145 1.00 0.00 H new ATOM 1169 N LEU A 72 -5.688 0.033 4.347 1.00 0.00 N ATOM 1170 CA LEU A 72 -4.612 -0.749 3.749 1.00 0.00 C ATOM 1171 C LEU A 72 -4.034 -1.739 4.755 1.00 0.00 C ATOM 1172 O LEU A 72 -3.968 -1.456 5.952 1.00 0.00 O ATOM 1173 CB LEU A 72 -3.508 0.176 3.234 1.00 0.00 C ATOM 1174 CG LEU A 72 -3.970 1.503 2.632 1.00 0.00 C ATOM 1175 CD1 LEU A 72 -2.919 2.581 2.845 1.00 0.00 C ATOM 1176 CD2 LEU A 72 -4.277 1.339 1.151 1.00 0.00 C ATOM 0 H LEU A 72 -5.408 0.584 5.158 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.027 -1.311 2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.828 0.391 4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.934 -0.362 2.480 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.884 1.811 3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.266 3.518 2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.749 2.718 3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.987 2.281 2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.604 2.294 0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.380 1.007 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.067 0.599 1.023 1.00 0.00 H new ATOM 1188 N ARG A 73 -3.614 -2.900 4.262 1.00 0.00 N ATOM 1189 CA ARG A 73 -3.040 -3.931 5.118 1.00 0.00 C ATOM 1190 C ARG A 73 -1.639 -4.309 4.649 1.00 0.00 C ATOM 1191 O ARG A 73 -1.299 -4.193 3.471 1.00 0.00 O ATOM 1192 CB ARG A 73 -3.937 -5.170 5.131 1.00 0.00 C ATOM 1193 CG ARG A 73 -3.989 -5.898 3.797 1.00 0.00 C ATOM 1194 CD ARG A 73 -4.644 -7.264 3.933 1.00 0.00 C ATOM 1195 NE ARG A 73 -3.689 -8.290 4.344 1.00 0.00 N ATOM 1196 CZ ARG A 73 -3.445 -8.602 5.612 1.00 0.00 C ATOM 1197 NH1 ARG A 73 -4.081 -7.969 6.588 1.00 0.00 N ATOM 1198 NH2 ARG A 73 -2.562 -9.548 5.905 1.00 0.00 N ATOM 0 H ARG A 73 -3.661 -3.150 3.274 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.970 -3.531 6.129 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.581 -5.858 5.897 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.947 -4.874 5.413 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.543 -5.298 3.075 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.978 -6.015 3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.452 -7.208 4.662 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.093 -7.547 2.981 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.181 -8.795 3.617 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.760 -7.240 6.366 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.892 -8.211 7.561 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.070 -10.036 5.156 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.375 -9.787 6.879 1.00 0.00 H new ATOM 1212 N PRO A 74 -0.804 -4.772 5.591 1.00 0.00 N ATOM 1213 CA PRO A 74 0.574 -5.177 5.298 1.00 0.00 C ATOM 1214 C PRO A 74 0.640 -6.457 4.472 1.00 0.00 C ATOM 1215 O PRO A 74 0.538 -7.560 5.010 1.00 0.00 O ATOM 1216 CB PRO A 74 1.180 -5.404 6.686 1.00 0.00 C ATOM 1217 CG PRO A 74 0.016 -5.728 7.558 1.00 0.00 C ATOM 1218 CD PRO A 74 -1.141 -4.937 7.015 1.00 0.00 C ATOM 0 HA PRO A 74 1.101 -4.429 4.705 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.904 -6.218 6.674 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.705 -4.516 7.039 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.199 -6.796 7.540 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.219 -5.461 8.595 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.085 -5.465 7.146 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.242 -3.975 7.518 1.00 0.00 H new ATOM 1226 N LEU A 75 0.810 -6.303 3.164 1.00 0.00 N ATOM 1227 CA LEU A 75 0.890 -7.447 2.263 1.00 0.00 C ATOM 1228 C LEU A 75 2.031 -8.377 2.663 1.00 0.00 C ATOM 1229 O LEU A 75 3.023 -7.941 3.247 1.00 0.00 O ATOM 1230 CB LEU A 75 1.084 -6.974 0.821 1.00 0.00 C ATOM 1231 CG LEU A 75 1.432 -8.057 -0.200 1.00 0.00 C ATOM 1232 CD1 LEU A 75 0.181 -8.808 -0.630 1.00 0.00 C ATOM 1233 CD2 LEU A 75 2.132 -7.448 -1.406 1.00 0.00 C ATOM 0 H LEU A 75 0.895 -5.397 2.703 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.047 -8.000 2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.169 -6.478 0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.875 -6.224 0.809 1.00 0.00 H new ATOM 0 HG LEU A 75 2.113 -8.767 0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.449 -9.575 -1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.279 -9.277 0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.525 -8.111 -1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.372 -8.234 -2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.475 -6.716 -1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.051 -6.957 -1.084 1.00 0.00 H new ATOM 1245 N GLU A 76 1.884 -9.658 2.342 1.00 0.00 N ATOM 1246 CA GLU A 76 2.904 -10.649 2.667 1.00 0.00 C ATOM 1247 C GLU A 76 4.087 -10.545 1.709 1.00 0.00 C ATOM 1248 O GLU A 76 4.047 -11.072 0.597 1.00 0.00 O ATOM 1249 CB GLU A 76 2.312 -12.059 2.614 1.00 0.00 C ATOM 1250 CG GLU A 76 1.251 -12.313 3.671 1.00 0.00 C ATOM 1251 CD GLU A 76 1.831 -12.859 4.961 1.00 0.00 C ATOM 1252 OE1 GLU A 76 2.880 -13.533 4.901 1.00 0.00 O ATOM 1253 OE2 GLU A 76 1.236 -12.612 6.031 1.00 0.00 O ATOM 0 H GLU A 76 1.069 -10.034 1.857 1.00 0.00 H new ATOM 0 HA GLU A 76 3.259 -10.450 3.678 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.878 -12.225 1.628 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.115 -12.786 2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.722 -11.383 3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.516 -13.017 3.281 1.00 0.00 H new ATOM 1260 N ARG A 77 5.139 -9.863 2.149 1.00 0.00 N ATOM 1261 CA ARG A 77 6.334 -9.689 1.332 1.00 0.00 C ATOM 1262 C ARG A 77 7.540 -10.360 1.981 1.00 0.00 C ATOM 1263 O ARG A 77 7.662 -10.424 3.204 1.00 0.00 O ATOM 1264 CB ARG A 77 6.618 -8.201 1.118 1.00 0.00 C ATOM 1265 CG ARG A 77 7.230 -7.517 2.330 1.00 0.00 C ATOM 1266 CD ARG A 77 6.163 -6.899 3.218 1.00 0.00 C ATOM 1267 NE ARG A 77 6.727 -6.341 4.445 1.00 0.00 N ATOM 1268 CZ ARG A 77 6.000 -6.027 5.511 1.00 0.00 C ATOM 1269 NH1 ARG A 77 4.688 -6.215 5.502 1.00 0.00 N ATOM 1270 NH2 ARG A 77 6.586 -5.524 6.590 1.00 0.00 N ATOM 0 H ARG A 77 5.188 -9.422 3.067 1.00 0.00 H new ATOM 0 HA ARG A 77 6.155 -10.161 0.366 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.291 -8.087 0.268 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.688 -7.696 0.858 1.00 0.00 H new ATOM 0 HG2 ARG A 77 7.808 -8.241 2.904 1.00 0.00 H new ATOM 0 HG3 ARG A 77 7.924 -6.743 2.001 1.00 0.00 H new ATOM 0 HD2 ARG A 77 5.644 -6.114 2.668 1.00 0.00 H new ATOM 0 HD3 ARG A 77 5.420 -7.655 3.472 1.00 0.00 H new ATOM 0 HE ARG A 77 7.734 -6.184 4.485 1.00 0.00 H new ATOM 0 HH11 ARG A 77 4.234 -6.602 4.675 1.00 0.00 H new ATOM 0 HH12 ARG A 77 4.132 -5.973 6.322 1.00 0.00 H new ATOM 0 HH21 ARG A 77 7.595 -5.378 6.601 1.00 0.00 H new ATOM 0 HH22 ARG A 77 6.027 -5.283 7.408 1.00 0.00 H new ATOM 1284 N PRO A 78 8.453 -10.875 1.144 1.00 0.00 N ATOM 1285 CA PRO A 78 9.666 -11.551 1.613 1.00 0.00 C ATOM 1286 C PRO A 78 10.656 -10.585 2.256 1.00 0.00 C ATOM 1287 O PRO A 78 10.584 -9.375 2.044 1.00 0.00 O ATOM 1288 CB PRO A 78 10.256 -12.150 0.334 1.00 0.00 C ATOM 1289 CG PRO A 78 9.739 -11.285 -0.763 1.00 0.00 C ATOM 1290 CD PRO A 78 8.372 -10.835 -0.326 1.00 0.00 C ATOM 0 HA PRO A 78 9.449 -12.290 2.384 1.00 0.00 H new ATOM 0 HB2 PRO A 78 11.346 -12.146 0.361 1.00 0.00 H new ATOM 0 HB3 PRO A 78 9.944 -13.186 0.202 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.396 -10.431 -0.930 1.00 0.00 H new ATOM 0 HG3 PRO A 78 9.687 -11.835 -1.702 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.144 -9.833 -0.689 1.00 0.00 H new ATOM 0 HD3 PRO A 78 7.592 -11.496 -0.704 1.00 0.00 H new ATOM 1298 N ALA A 79 11.580 -11.129 3.042 1.00 0.00 N ATOM 1299 CA ALA A 79 12.586 -10.315 3.713 1.00 0.00 C ATOM 1300 C ALA A 79 13.559 -9.706 2.709 1.00 0.00 C ATOM 1301 O ALA A 79 13.612 -10.121 1.550 1.00 0.00 O ATOM 1302 CB ALA A 79 13.338 -11.147 4.741 1.00 0.00 C ATOM 0 H ALA A 79 11.652 -12.129 3.229 1.00 0.00 H new ATOM 0 HA ALA A 79 12.075 -9.499 4.225 1.00 0.00 H new ATOM 0 HB1 ALA A 79 14.086 -10.527 5.234 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.637 -11.529 5.483 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.831 -11.982 4.243 1.00 0.00 H new ATOM 1308 N LEU A 80 14.327 -8.720 3.159 1.00 0.00 N ATOM 1309 CA LEU A 80 15.298 -8.053 2.300 1.00 0.00 C ATOM 1310 C LEU A 80 16.425 -7.440 3.125 1.00 0.00 C ATOM 1311 O LEU A 80 16.182 -6.644 4.032 1.00 0.00 O ATOM 1312 CB LEU A 80 14.612 -6.969 1.467 1.00 0.00 C ATOM 1313 CG LEU A 80 15.253 -6.654 0.115 1.00 0.00 C ATOM 1314 CD1 LEU A 80 16.524 -5.840 0.303 1.00 0.00 C ATOM 1315 CD2 LEU A 80 15.548 -7.938 -0.647 1.00 0.00 C ATOM 0 H LEU A 80 14.296 -8.365 4.115 1.00 0.00 H new ATOM 0 HA LEU A 80 15.727 -8.799 1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 80 13.579 -7.271 1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 80 14.582 -6.052 2.055 1.00 0.00 H new ATOM 0 HG LEU A 80 14.550 -6.061 -0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 80 16.966 -5.626 -0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 80 16.285 -4.904 0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 80 17.233 -6.407 0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 80 16.004 -7.695 -1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 80 16.232 -8.557 -0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 80 14.619 -8.483 -0.814 1.00 0.00 H new ATOM 1327 N ARG A 81 17.659 -7.815 2.803 1.00 0.00 N ATOM 1328 CA ARG A 81 18.824 -7.302 3.514 1.00 0.00 C ATOM 1329 C ARG A 81 19.521 -6.215 2.701 1.00 0.00 C ATOM 1330 O ARG A 81 19.552 -6.267 1.471 1.00 0.00 O ATOM 1331 CB ARG A 81 19.804 -8.436 3.816 1.00 0.00 C ATOM 1332 CG ARG A 81 20.943 -8.028 4.736 1.00 0.00 C ATOM 1333 CD ARG A 81 20.460 -7.828 6.164 1.00 0.00 C ATOM 1334 NE ARG A 81 20.248 -9.097 6.854 1.00 0.00 N ATOM 1335 CZ ARG A 81 19.695 -9.197 8.057 1.00 0.00 C ATOM 1336 NH1 ARG A 81 19.300 -8.107 8.701 1.00 0.00 N ATOM 1337 NH2 ARG A 81 19.535 -10.388 8.619 1.00 0.00 N ATOM 0 H ARG A 81 17.878 -8.472 2.054 1.00 0.00 H new ATOM 0 HA ARG A 81 18.483 -6.867 4.453 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.260 -9.264 4.271 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.220 -8.805 2.878 1.00 0.00 H new ATOM 0 HG2 ARG A 81 21.720 -8.793 4.717 1.00 0.00 H new ATOM 0 HG3 ARG A 81 21.395 -7.106 4.371 1.00 0.00 H new ATOM 0 HD2 ARG A 81 21.190 -7.234 6.714 1.00 0.00 H new ATOM 0 HD3 ARG A 81 19.529 -7.260 6.156 1.00 0.00 H new ATOM 0 HE ARG A 81 20.541 -9.955 6.386 1.00 0.00 H new ATOM 0 HH11 ARG A 81 19.421 -7.189 8.272 1.00 0.00 H new ATOM 0 HH12 ARG A 81 18.875 -8.186 9.625 1.00 0.00 H new ATOM 0 HH21 ARG A 81 19.837 -11.229 8.127 1.00 0.00 H new ATOM 0 HH22 ARG A 81 19.110 -10.463 9.543 1.00 0.00 H new ATOM 1351 N LYS A 82 20.080 -5.230 3.396 1.00 0.00 N ATOM 1352 CA LYS A 82 20.778 -4.131 2.740 1.00 0.00 C ATOM 1353 C LYS A 82 21.894 -3.589 3.628 1.00 0.00 C ATOM 1354 O LYS A 82 21.906 -3.821 4.836 1.00 0.00 O ATOM 1355 CB LYS A 82 19.796 -3.009 2.396 1.00 0.00 C ATOM 1356 CG LYS A 82 19.174 -2.349 3.615 1.00 0.00 C ATOM 1357 CD LYS A 82 18.745 -0.922 3.318 1.00 0.00 C ATOM 1358 CE LYS A 82 17.374 -0.877 2.661 1.00 0.00 C ATOM 1359 NZ LYS A 82 17.061 0.476 2.123 1.00 0.00 N ATOM 0 H LYS A 82 20.063 -5.171 4.414 1.00 0.00 H new ATOM 0 HA LYS A 82 21.221 -4.512 1.820 1.00 0.00 H new ATOM 0 HB2 LYS A 82 20.314 -2.252 1.808 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.002 -3.412 1.767 1.00 0.00 H new ATOM 0 HG2 LYS A 82 18.311 -2.929 3.943 1.00 0.00 H new ATOM 0 HG3 LYS A 82 19.890 -2.351 4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 82 18.725 -0.347 4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 82 19.478 -0.449 2.665 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.334 -1.607 1.853 1.00 0.00 H new ATOM 0 HE3 LYS A 82 16.614 -1.164 3.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 16.119 0.465 1.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.074 1.169 2.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 17.772 0.740 1.411 1.00 0.00 H new ATOM 1373 N GLU A 83 22.829 -2.865 3.020 1.00 0.00 N ATOM 1374 CA GLU A 83 23.948 -2.290 3.757 1.00 0.00 C ATOM 1375 C GLU A 83 24.429 -1.000 3.097 1.00 0.00 C ATOM 1376 O GLU A 83 23.932 -0.607 2.043 1.00 0.00 O ATOM 1377 CB GLU A 83 25.101 -3.293 3.841 1.00 0.00 C ATOM 1378 CG GLU A 83 24.744 -4.569 4.583 1.00 0.00 C ATOM 1379 CD GLU A 83 25.919 -5.519 4.711 1.00 0.00 C ATOM 1380 OE1 GLU A 83 26.772 -5.534 3.799 1.00 0.00 O ATOM 1381 OE2 GLU A 83 25.987 -6.246 5.724 1.00 0.00 O ATOM 0 H GLU A 83 22.834 -2.663 2.020 1.00 0.00 H new ATOM 0 HA GLU A 83 23.605 -2.056 4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 83 25.424 -3.548 2.832 1.00 0.00 H new ATOM 0 HB3 GLU A 83 25.948 -2.819 4.337 1.00 0.00 H new ATOM 0 HG2 GLU A 83 24.377 -4.316 5.577 1.00 0.00 H new ATOM 0 HG3 GLU A 83 23.930 -5.072 4.061 1.00 0.00 H new ATOM 1388 N GLY A 84 25.400 -0.346 3.727 1.00 0.00 N ATOM 1389 CA GLY A 84 25.932 0.892 3.188 1.00 0.00 C ATOM 1390 C GLY A 84 27.342 1.174 3.667 1.00 0.00 C ATOM 1391 O GLY A 84 28.039 0.273 4.136 1.00 0.00 O ATOM 0 H GLY A 84 25.828 -0.651 4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 84 25.924 0.844 2.099 1.00 0.00 H new ATOM 0 HA3 GLY A 84 25.282 1.719 3.475 1.00 0.00 H new ATOM 1395 N LEU A 85 27.766 2.427 3.546 1.00 0.00 N ATOM 1396 CA LEU A 85 29.104 2.826 3.969 1.00 0.00 C ATOM 1397 C LEU A 85 29.040 3.992 4.950 1.00 0.00 C ATOM 1398 O LEU A 85 28.018 4.670 5.061 1.00 0.00 O ATOM 1399 CB LEU A 85 29.950 3.213 2.754 1.00 0.00 C ATOM 1400 CG LEU A 85 30.456 2.055 1.893 1.00 0.00 C ATOM 1401 CD1 LEU A 85 29.319 1.460 1.077 1.00 0.00 C ATOM 1402 CD2 LEU A 85 31.583 2.521 0.983 1.00 0.00 C ATOM 0 H LEU A 85 27.203 3.184 3.159 1.00 0.00 H new ATOM 0 HA LEU A 85 29.568 1.977 4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 85 29.361 3.878 2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.811 3.784 3.102 1.00 0.00 H new ATOM 0 HG LEU A 85 30.846 1.279 2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 85 29.698 0.637 0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 85 28.545 1.089 1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 85 28.898 2.227 0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 85 31.931 1.684 0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 85 31.219 3.315 0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 85 32.407 2.898 1.588 1.00 0.00 H new ATOM 1414 N LYS A 86 30.140 4.223 5.660 1.00 0.00 N ATOM 1415 CA LYS A 86 30.211 5.309 6.630 1.00 0.00 C ATOM 1416 C LYS A 86 31.400 6.221 6.339 1.00 0.00 C ATOM 1417 O LYS A 86 32.517 5.750 6.123 1.00 0.00 O ATOM 1418 CB LYS A 86 30.321 4.747 8.049 1.00 0.00 C ATOM 1419 CG LYS A 86 30.470 5.816 9.117 1.00 0.00 C ATOM 1420 CD LYS A 86 29.131 6.440 9.473 1.00 0.00 C ATOM 1421 CE LYS A 86 29.249 7.368 10.672 1.00 0.00 C ATOM 1422 NZ LYS A 86 27.914 7.792 11.179 1.00 0.00 N ATOM 0 H LYS A 86 30.995 3.672 5.581 1.00 0.00 H new ATOM 0 HA LYS A 86 29.296 5.896 6.549 1.00 0.00 H new ATOM 0 HB2 LYS A 86 29.434 4.151 8.264 1.00 0.00 H new ATOM 0 HB3 LYS A 86 31.177 4.074 8.099 1.00 0.00 H new ATOM 0 HG2 LYS A 86 30.918 5.380 10.010 1.00 0.00 H new ATOM 0 HG3 LYS A 86 31.151 6.591 8.765 1.00 0.00 H new ATOM 0 HD2 LYS A 86 28.749 6.997 8.617 1.00 0.00 H new ATOM 0 HD3 LYS A 86 28.408 5.654 9.690 1.00 0.00 H new ATOM 0 HE2 LYS A 86 29.797 6.864 11.469 1.00 0.00 H new ATOM 0 HE3 LYS A 86 29.828 8.248 10.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 28.037 8.423 11.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 27.401 8.295 10.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 27.370 6.954 11.468 1.00 0.00 H new ATOM 1436 N ASP A 87 31.151 7.525 6.336 1.00 0.00 N ATOM 1437 CA ASP A 87 32.202 8.503 6.075 1.00 0.00 C ATOM 1438 C ASP A 87 32.934 8.871 7.361 1.00 0.00 C ATOM 1439 O ASP A 87 32.429 8.644 8.460 1.00 0.00 O ATOM 1440 CB ASP A 87 31.611 9.759 5.433 1.00 0.00 C ATOM 1441 CG ASP A 87 30.419 10.296 6.200 1.00 0.00 C ATOM 1442 OD1 ASP A 87 30.573 10.595 7.403 1.00 0.00 O ATOM 1443 OD2 ASP A 87 29.332 10.417 5.598 1.00 0.00 O ATOM 0 H ASP A 87 30.231 7.930 6.511 1.00 0.00 H new ATOM 0 HA ASP A 87 32.918 8.055 5.386 1.00 0.00 H new ATOM 0 HB2 ASP A 87 32.379 10.530 5.376 1.00 0.00 H new ATOM 0 HB3 ASP A 87 31.309 9.533 4.410 1.00 0.00 H new ATOM 1448 N GLU A 88 34.127 9.438 7.215 1.00 0.00 N ATOM 1449 CA GLU A 88 34.930 9.835 8.367 1.00 0.00 C ATOM 1450 C GLU A 88 34.047 10.404 9.474 1.00 0.00 C ATOM 1451 O GLU A 88 34.515 10.660 10.583 1.00 0.00 O ATOM 1452 CB GLU A 88 35.979 10.869 7.953 1.00 0.00 C ATOM 1453 CG GLU A 88 35.383 12.151 7.394 1.00 0.00 C ATOM 1454 CD GLU A 88 36.435 13.086 6.831 1.00 0.00 C ATOM 1455 OE1 GLU A 88 36.757 12.964 5.630 1.00 0.00 O ATOM 1456 OE2 GLU A 88 36.937 13.940 7.591 1.00 0.00 O ATOM 0 H GLU A 88 34.559 9.633 6.312 1.00 0.00 H new ATOM 0 HA GLU A 88 35.436 8.948 8.749 1.00 0.00 H new ATOM 0 HB2 GLU A 88 36.598 11.112 8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 88 36.637 10.427 7.204 1.00 0.00 H new ATOM 0 HG2 GLU A 88 34.666 11.903 6.611 1.00 0.00 H new ATOM 0 HG3 GLU A 88 34.830 12.664 8.181 1.00 0.00 H new TER 1463 GLU A 88