USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 531 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 40:sc= 0.0835 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= -0.152 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -5.27! C(o=-5.3!,f=-4!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 17 MET CE :methyl -112:sc= -0.179 (180deg=-1.97!) USER MOD Single : A 18 SER OG : rot 67:sc= 0.067 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 165:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 146:sc= -2.93 (180deg=-4.97!) USER MOD Single : A 27 ASN : amide:sc= -1.12 K(o=-1.1,f=-2!) USER MOD Single : A 28 MET CE :methyl -123:sc= -0.0467 (180deg=-1.22) USER MOD Single : A 31 ASN : amide:sc= -3.17 K(o=-3.2,f=-5.5!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 93:sc= 0.383 USER MOD Single : A 46 GLN : amide:sc= -1.96 K(o=-2,f=-3.3!) USER MOD Single : A 50 LYS NZ :NH3+ -113:sc= -2.46! (180deg=-8.19!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 170:sc= -1.67 (180deg=-1.91!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.493 K(o=-0.49,f=-1.1) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 34:sc= -0.698! USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 32:sc= 0.287 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.760 15.076 13.425 1.00 0.00 N ATOM 2 CA GLY A 1 -11.610 14.198 13.536 1.00 0.00 C ATOM 3 C GLY A 1 -11.993 12.732 13.482 1.00 0.00 C ATOM 4 O GLY A 1 -12.846 12.335 12.688 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.446 16.067 13.467 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.242 14.904 12.520 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.417 14.888 14.208 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.910 14.417 12.730 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.091 14.401 14.473 1.00 0.00 H new ATOM 8 N SER A 2 -11.360 11.925 14.328 1.00 0.00 N ATOM 9 CA SER A 2 -11.635 10.494 14.370 1.00 0.00 C ATOM 10 C SER A 2 -12.265 10.100 15.702 1.00 0.00 C ATOM 11 O SER A 2 -11.714 10.376 16.768 1.00 0.00 O ATOM 12 CB SER A 2 -10.347 9.699 14.147 1.00 0.00 C ATOM 13 OG SER A 2 -9.335 10.104 15.052 1.00 0.00 O ATOM 0 H SER A 2 -10.653 12.238 14.993 1.00 0.00 H new ATOM 0 HA SER A 2 -12.340 10.261 13.572 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.547 8.635 14.272 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.001 9.840 13.123 1.00 0.00 H new ATOM 0 HG SER A 2 -9.729 10.257 15.936 1.00 0.00 H new ATOM 19 N SER A 3 -13.425 9.454 15.633 1.00 0.00 N ATOM 20 CA SER A 3 -14.133 9.025 16.834 1.00 0.00 C ATOM 21 C SER A 3 -13.299 8.025 17.629 1.00 0.00 C ATOM 22 O SER A 3 -13.041 8.220 18.816 1.00 0.00 O ATOM 23 CB SER A 3 -15.480 8.401 16.461 1.00 0.00 C ATOM 24 OG SER A 3 -16.176 7.966 17.616 1.00 0.00 O ATOM 0 H SER A 3 -13.894 9.216 14.759 1.00 0.00 H new ATOM 0 HA SER A 3 -14.306 9.902 17.457 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.085 9.129 15.920 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.320 7.558 15.789 1.00 0.00 H new ATOM 0 HG SER A 3 -17.034 7.573 17.352 1.00 0.00 H new ATOM 30 N GLY A 4 -12.880 6.952 16.964 1.00 0.00 N ATOM 31 CA GLY A 4 -12.079 5.937 17.623 1.00 0.00 C ATOM 32 C GLY A 4 -12.660 4.546 17.463 1.00 0.00 C ATOM 33 O GLY A 4 -13.565 4.333 16.656 1.00 0.00 O ATOM 0 H GLY A 4 -13.081 6.768 15.981 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.068 5.954 17.215 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.999 6.174 18.684 1.00 0.00 H new ATOM 37 N SER A 5 -12.138 3.596 18.232 1.00 0.00 N ATOM 38 CA SER A 5 -12.607 2.217 18.167 1.00 0.00 C ATOM 39 C SER A 5 -12.403 1.510 19.504 1.00 0.00 C ATOM 40 O SER A 5 -11.649 1.978 20.357 1.00 0.00 O ATOM 41 CB SER A 5 -11.874 1.458 17.059 1.00 0.00 C ATOM 42 OG SER A 5 -12.565 0.271 16.710 1.00 0.00 O ATOM 0 H SER A 5 -11.390 3.756 18.907 1.00 0.00 H new ATOM 0 HA SER A 5 -13.674 2.232 17.943 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.775 2.096 16.181 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.865 1.211 17.389 1.00 0.00 H new ATOM 0 HG SER A 5 -12.077 -0.195 15.999 1.00 0.00 H new ATOM 48 N SER A 6 -13.081 0.381 19.679 1.00 0.00 N ATOM 49 CA SER A 6 -12.978 -0.389 20.912 1.00 0.00 C ATOM 50 C SER A 6 -13.059 -1.886 20.627 1.00 0.00 C ATOM 51 O SER A 6 -13.537 -2.303 19.573 1.00 0.00 O ATOM 52 CB SER A 6 -14.087 0.016 21.886 1.00 0.00 C ATOM 53 OG SER A 6 -14.094 -0.822 23.028 1.00 0.00 O ATOM 0 H SER A 6 -13.708 -0.021 18.982 1.00 0.00 H new ATOM 0 HA SER A 6 -12.010 -0.174 21.364 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.945 1.052 22.193 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.053 -0.039 21.385 1.00 0.00 H new ATOM 0 HG SER A 6 -14.810 -0.541 23.635 1.00 0.00 H new ATOM 59 N GLY A 7 -12.588 -2.690 21.576 1.00 0.00 N ATOM 60 CA GLY A 7 -12.616 -4.131 21.408 1.00 0.00 C ATOM 61 C GLY A 7 -11.749 -4.597 20.255 1.00 0.00 C ATOM 62 O GLY A 7 -11.136 -3.785 19.562 1.00 0.00 O ATOM 0 H GLY A 7 -12.188 -2.369 22.458 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.278 -4.608 22.328 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.643 -4.454 21.240 1.00 0.00 H new ATOM 66 N SER A 8 -11.696 -5.909 20.050 1.00 0.00 N ATOM 67 CA SER A 8 -10.893 -6.483 18.977 1.00 0.00 C ATOM 68 C SER A 8 -11.713 -6.616 17.697 1.00 0.00 C ATOM 69 O SER A 8 -12.765 -7.254 17.666 1.00 0.00 O ATOM 70 CB SER A 8 -10.351 -7.852 19.392 1.00 0.00 C ATOM 71 OG SER A 8 -9.285 -7.719 20.317 1.00 0.00 O ATOM 0 H SER A 8 -12.200 -6.595 20.613 1.00 0.00 H new ATOM 0 HA SER A 8 -10.056 -5.812 18.785 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.151 -8.444 19.837 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.007 -8.393 18.511 1.00 0.00 H new ATOM 0 HG SER A 8 -8.957 -8.608 20.568 1.00 0.00 H new ATOM 77 N PRO A 9 -11.220 -5.998 16.613 1.00 0.00 N ATOM 78 CA PRO A 9 -11.890 -6.032 15.309 1.00 0.00 C ATOM 79 C PRO A 9 -11.837 -7.414 14.666 1.00 0.00 C ATOM 80 O PRO A 9 -10.764 -7.905 14.316 1.00 0.00 O ATOM 81 CB PRO A 9 -11.095 -5.024 14.476 1.00 0.00 C ATOM 82 CG PRO A 9 -9.746 -4.990 15.107 1.00 0.00 C ATOM 83 CD PRO A 9 -9.971 -5.219 16.576 1.00 0.00 C ATOM 0 HA PRO A 9 -12.951 -5.797 15.389 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.036 -5.332 13.432 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.564 -4.040 14.492 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.099 -5.760 14.687 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.257 -4.032 14.932 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.143 -5.765 17.029 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.068 -4.279 17.119 1.00 0.00 H new ATOM 91 N ILE A 10 -13.002 -8.035 14.514 1.00 0.00 N ATOM 92 CA ILE A 10 -13.087 -9.360 13.912 1.00 0.00 C ATOM 93 C ILE A 10 -13.277 -9.266 12.402 1.00 0.00 C ATOM 94 O ILE A 10 -13.985 -8.389 11.909 1.00 0.00 O ATOM 95 CB ILE A 10 -14.245 -10.178 14.514 1.00 0.00 C ATOM 96 CG1 ILE A 10 -14.039 -10.364 16.018 1.00 0.00 C ATOM 97 CG2 ILE A 10 -14.357 -11.527 13.818 1.00 0.00 C ATOM 98 CD1 ILE A 10 -15.239 -10.954 16.724 1.00 0.00 C ATOM 0 H ILE A 10 -13.899 -7.642 14.799 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.146 -9.866 14.127 1.00 0.00 H new ATOM 0 HB ILE A 10 -15.176 -9.632 14.359 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -13.177 -11.011 16.181 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.802 -9.399 16.466 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.179 -12.094 14.254 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -14.545 -11.374 12.755 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -13.427 -12.081 13.946 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -15.021 -11.057 17.787 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -16.098 -10.297 16.592 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -15.464 -11.934 16.303 1.00 0.00 H new ATOM 110 N ASN A 11 -12.640 -10.177 11.673 1.00 0.00 N ATOM 111 CA ASN A 11 -12.740 -10.197 10.218 1.00 0.00 C ATOM 112 C ASN A 11 -12.467 -11.596 9.674 1.00 0.00 C ATOM 113 O ASN A 11 -11.427 -12.200 9.937 1.00 0.00 O ATOM 114 CB ASN A 11 -11.757 -9.199 9.604 1.00 0.00 C ATOM 115 CG ASN A 11 -11.647 -7.922 10.416 1.00 0.00 C ATOM 116 OD1 ASN A 11 -12.132 -6.868 10.005 1.00 0.00 O ATOM 117 ND2 ASN A 11 -11.006 -8.012 11.576 1.00 0.00 N ATOM 0 H ASN A 11 -12.050 -10.910 12.066 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.756 -9.911 9.945 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.774 -9.663 9.526 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.076 -8.956 8.590 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.900 -7.186 12.166 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.620 -8.907 11.877 1.00 0.00 H new ATOM 124 N PRO A 12 -13.423 -12.126 8.897 1.00 0.00 N ATOM 125 CA PRO A 12 -13.309 -13.459 8.298 1.00 0.00 C ATOM 126 C PRO A 12 -12.251 -13.513 7.202 1.00 0.00 C ATOM 127 O PRO A 12 -11.381 -14.385 7.207 1.00 0.00 O ATOM 128 CB PRO A 12 -14.701 -13.704 7.710 1.00 0.00 C ATOM 129 CG PRO A 12 -15.252 -12.343 7.460 1.00 0.00 C ATOM 130 CD PRO A 12 -14.690 -11.463 8.542 1.00 0.00 C ATOM 0 HA PRO A 12 -13.001 -14.209 9.027 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -14.645 -14.284 6.789 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -15.330 -14.265 8.402 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -14.964 -11.981 6.473 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -16.342 -12.351 7.491 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -14.526 -10.445 8.188 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -15.363 -11.398 9.397 1.00 0.00 H new ATOM 138 N TYR A 13 -12.330 -12.577 6.263 1.00 0.00 N ATOM 139 CA TYR A 13 -11.379 -12.520 5.159 1.00 0.00 C ATOM 140 C TYR A 13 -10.265 -11.520 5.450 1.00 0.00 C ATOM 141 O TYR A 13 -9.081 -11.854 5.385 1.00 0.00 O ATOM 142 CB TYR A 13 -12.095 -12.139 3.861 1.00 0.00 C ATOM 143 CG TYR A 13 -12.659 -10.736 3.871 1.00 0.00 C ATOM 144 CD1 TYR A 13 -11.872 -9.648 3.513 1.00 0.00 C ATOM 145 CD2 TYR A 13 -13.977 -10.498 4.238 1.00 0.00 C ATOM 146 CE1 TYR A 13 -12.383 -8.364 3.521 1.00 0.00 C ATOM 147 CE2 TYR A 13 -14.497 -9.218 4.247 1.00 0.00 C ATOM 148 CZ TYR A 13 -13.696 -8.154 3.888 1.00 0.00 C ATOM 149 OH TYR A 13 -14.209 -6.878 3.898 1.00 0.00 O ATOM 0 H TYR A 13 -13.043 -11.847 6.244 1.00 0.00 H new ATOM 0 HA TYR A 13 -10.934 -13.509 5.045 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -11.397 -12.235 3.029 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -12.905 -12.846 3.681 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -10.844 -9.809 3.224 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -14.607 -11.328 4.521 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -11.757 -7.529 3.241 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -15.525 -9.051 4.534 1.00 0.00 H new ATOM 0 HH TYR A 13 -15.147 -6.905 4.179 1.00 0.00 H new ATOM 159 N LYS A 14 -10.651 -10.291 5.774 1.00 0.00 N ATOM 160 CA LYS A 14 -9.687 -9.240 6.078 1.00 0.00 C ATOM 161 C LYS A 14 -8.450 -9.817 6.759 1.00 0.00 C ATOM 162 O LYS A 14 -7.335 -9.342 6.547 1.00 0.00 O ATOM 163 CB LYS A 14 -10.326 -8.177 6.974 1.00 0.00 C ATOM 164 CG LYS A 14 -9.786 -6.777 6.738 1.00 0.00 C ATOM 165 CD LYS A 14 -10.811 -5.715 7.100 1.00 0.00 C ATOM 166 CE LYS A 14 -10.293 -4.317 6.801 1.00 0.00 C ATOM 167 NZ LYS A 14 -11.379 -3.299 6.861 1.00 0.00 N ATOM 0 H LYS A 14 -11.626 -9.998 5.833 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.382 -8.779 5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.403 -8.174 6.808 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.164 -8.448 8.017 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.883 -6.630 7.331 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.501 -6.668 5.692 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.731 -5.890 6.542 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.060 -5.794 8.158 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.512 -4.058 7.516 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.836 -4.303 5.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.986 -2.359 6.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.112 -3.532 6.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.798 -3.294 7.813 1.00 0.00 H new ATOM 181 N ASP A 15 -8.656 -10.845 7.575 1.00 0.00 N ATOM 182 CA ASP A 15 -7.556 -11.489 8.285 1.00 0.00 C ATOM 183 C ASP A 15 -6.410 -11.812 7.333 1.00 0.00 C ATOM 184 O ASP A 15 -5.270 -11.401 7.554 1.00 0.00 O ATOM 185 CB ASP A 15 -8.043 -12.767 8.971 1.00 0.00 C ATOM 186 CG ASP A 15 -8.615 -12.503 10.349 1.00 0.00 C ATOM 187 OD1 ASP A 15 -9.019 -11.351 10.614 1.00 0.00 O ATOM 188 OD2 ASP A 15 -8.660 -13.448 11.164 1.00 0.00 O ATOM 0 H ASP A 15 -9.573 -11.250 7.761 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.190 -10.796 9.043 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.803 -13.242 8.350 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.214 -13.470 9.054 1.00 0.00 H new ATOM 193 N HIS A 16 -6.719 -12.552 6.273 1.00 0.00 N ATOM 194 CA HIS A 16 -5.714 -12.932 5.286 1.00 0.00 C ATOM 195 C HIS A 16 -4.857 -11.732 4.893 1.00 0.00 C ATOM 196 O HIS A 16 -3.642 -11.848 4.742 1.00 0.00 O ATOM 197 CB HIS A 16 -6.384 -13.523 4.045 1.00 0.00 C ATOM 198 CG HIS A 16 -6.847 -14.935 4.230 1.00 0.00 C ATOM 199 ND1 HIS A 16 -7.944 -15.274 4.993 1.00 0.00 N ATOM 200 CD2 HIS A 16 -6.355 -16.099 3.743 1.00 0.00 C ATOM 201 CE1 HIS A 16 -8.107 -16.585 4.969 1.00 0.00 C ATOM 202 NE2 HIS A 16 -7.155 -17.109 4.217 1.00 0.00 N ATOM 0 H HIS A 16 -7.657 -12.900 6.075 1.00 0.00 H new ATOM 0 HA HIS A 16 -5.068 -13.687 5.735 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.237 -12.902 3.772 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -5.683 -13.485 3.211 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.494 -16.212 3.101 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -8.885 -17.135 5.477 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -7.034 -18.103 4.021 1.00 0.00 H new ATOM 211 N MET A 17 -5.501 -10.580 4.729 1.00 0.00 N ATOM 212 CA MET A 17 -4.797 -9.359 4.355 1.00 0.00 C ATOM 213 C MET A 17 -4.020 -8.794 5.539 1.00 0.00 C ATOM 214 O MET A 17 -2.918 -8.271 5.378 1.00 0.00 O ATOM 215 CB MET A 17 -5.786 -8.315 3.834 1.00 0.00 C ATOM 216 CG MET A 17 -6.018 -8.391 2.334 1.00 0.00 C ATOM 217 SD MET A 17 -6.410 -10.060 1.776 1.00 0.00 S ATOM 218 CE MET A 17 -4.914 -10.480 0.884 1.00 0.00 C ATOM 0 H MET A 17 -6.508 -10.467 4.849 1.00 0.00 H new ATOM 0 HA MET A 17 -4.089 -9.606 3.564 1.00 0.00 H new ATOM 0 HB2 MET A 17 -6.739 -8.442 4.347 1.00 0.00 H new ATOM 0 HB3 MET A 17 -5.418 -7.321 4.086 1.00 0.00 H new ATOM 0 HG2 MET A 17 -6.833 -7.720 2.062 1.00 0.00 H new ATOM 0 HG3 MET A 17 -5.127 -8.038 1.814 1.00 0.00 H new ATOM 0 HE1 MET A 17 -5.134 -10.555 -0.181 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.164 -9.706 1.046 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.532 -11.435 1.244 1.00 0.00 H new ATOM 228 N SER A 18 -4.602 -8.903 6.730 1.00 0.00 N ATOM 229 CA SER A 18 -3.965 -8.399 7.941 1.00 0.00 C ATOM 230 C SER A 18 -2.583 -9.019 8.126 1.00 0.00 C ATOM 231 O SER A 18 -1.576 -8.313 8.179 1.00 0.00 O ATOM 232 CB SER A 18 -4.837 -8.696 9.162 1.00 0.00 C ATOM 233 OG SER A 18 -6.038 -7.945 9.126 1.00 0.00 O ATOM 0 H SER A 18 -5.513 -9.336 6.882 1.00 0.00 H new ATOM 0 HA SER A 18 -3.849 -7.320 7.839 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.071 -9.760 9.196 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.285 -8.462 10.072 1.00 0.00 H new ATOM 0 HG SER A 18 -6.594 -8.253 8.380 1.00 0.00 H new ATOM 239 N VAL A 19 -2.544 -10.344 8.224 1.00 0.00 N ATOM 240 CA VAL A 19 -1.286 -11.060 8.402 1.00 0.00 C ATOM 241 C VAL A 19 -0.236 -10.583 7.405 1.00 0.00 C ATOM 242 O VAL A 19 0.858 -10.169 7.790 1.00 0.00 O ATOM 243 CB VAL A 19 -1.479 -12.580 8.241 1.00 0.00 C ATOM 244 CG1 VAL A 19 -2.260 -12.888 6.973 1.00 0.00 C ATOM 245 CG2 VAL A 19 -0.133 -13.289 8.233 1.00 0.00 C ATOM 0 H VAL A 19 -3.368 -10.943 8.183 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.942 -10.850 9.415 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.054 -12.948 9.091 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.386 -13.966 6.876 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.239 -12.411 7.024 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.715 -12.508 6.109 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.288 -14.362 8.119 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.468 -12.918 7.403 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.386 -13.095 9.172 1.00 0.00 H new ATOM 255 N LEU A 20 -0.576 -10.644 6.122 1.00 0.00 N ATOM 256 CA LEU A 20 0.338 -10.218 5.068 1.00 0.00 C ATOM 257 C LEU A 20 0.921 -8.842 5.376 1.00 0.00 C ATOM 258 O LEU A 20 2.106 -8.594 5.154 1.00 0.00 O ATOM 259 CB LEU A 20 -0.385 -10.187 3.721 1.00 0.00 C ATOM 260 CG LEU A 20 -0.854 -11.539 3.180 1.00 0.00 C ATOM 261 CD1 LEU A 20 -1.378 -11.393 1.760 1.00 0.00 C ATOM 262 CD2 LEU A 20 0.278 -12.555 3.231 1.00 0.00 C ATOM 0 H LEU A 20 -1.477 -10.984 5.787 1.00 0.00 H new ATOM 0 HA LEU A 20 1.156 -10.937 5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.253 -9.534 3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.279 -9.734 2.985 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.667 -11.899 3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.707 -12.365 1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.218 -10.698 1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.585 -11.011 1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.073 -13.511 2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.112 -12.201 2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.607 -12.681 4.262 1.00 0.00 H new ATOM 274 N LYS A 21 0.081 -7.952 5.892 1.00 0.00 N ATOM 275 CA LYS A 21 0.513 -6.602 6.235 1.00 0.00 C ATOM 276 C LYS A 21 1.536 -6.628 7.366 1.00 0.00 C ATOM 277 O LYS A 21 2.472 -5.829 7.387 1.00 0.00 O ATOM 278 CB LYS A 21 -0.690 -5.748 6.642 1.00 0.00 C ATOM 279 CG LYS A 21 -1.382 -5.073 5.470 1.00 0.00 C ATOM 280 CD LYS A 21 -2.878 -4.947 5.703 1.00 0.00 C ATOM 281 CE LYS A 21 -3.617 -4.617 4.414 1.00 0.00 C ATOM 282 NZ LYS A 21 -4.893 -3.895 4.676 1.00 0.00 N ATOM 0 H LYS A 21 -0.903 -8.141 6.082 1.00 0.00 H new ATOM 0 HA LYS A 21 0.982 -6.163 5.354 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.411 -6.376 7.165 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.361 -4.985 7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.953 -4.083 5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.202 -5.646 4.561 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.263 -5.879 6.116 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.068 -4.169 6.442 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.979 -4.006 3.775 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.826 -5.538 3.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.367 -3.688 3.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.513 -4.488 5.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.692 -3.004 5.173 1.00 0.00 H new ATOM 296 N ALA A 22 1.353 -7.553 8.302 1.00 0.00 N ATOM 297 CA ALA A 22 2.263 -7.686 9.433 1.00 0.00 C ATOM 298 C ALA A 22 3.675 -8.020 8.966 1.00 0.00 C ATOM 299 O ALA A 22 4.656 -7.522 9.517 1.00 0.00 O ATOM 300 CB ALA A 22 1.757 -8.751 10.395 1.00 0.00 C ATOM 0 H ALA A 22 0.583 -8.222 8.300 1.00 0.00 H new ATOM 0 HA ALA A 22 2.298 -6.729 9.953 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.446 -8.840 11.235 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.771 -8.469 10.763 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.691 -9.708 9.877 1.00 0.00 H new ATOM 306 N TYR A 23 3.771 -8.867 7.946 1.00 0.00 N ATOM 307 CA TYR A 23 5.064 -9.271 7.407 1.00 0.00 C ATOM 308 C TYR A 23 5.783 -8.084 6.772 1.00 0.00 C ATOM 309 O TYR A 23 6.988 -7.905 6.953 1.00 0.00 O ATOM 310 CB TYR A 23 4.884 -10.384 6.374 1.00 0.00 C ATOM 311 CG TYR A 23 4.590 -11.736 6.986 1.00 0.00 C ATOM 312 CD1 TYR A 23 5.465 -12.311 7.899 1.00 0.00 C ATOM 313 CD2 TYR A 23 3.439 -12.437 6.650 1.00 0.00 C ATOM 314 CE1 TYR A 23 5.202 -13.546 8.460 1.00 0.00 C ATOM 315 CE2 TYR A 23 3.167 -13.671 7.207 1.00 0.00 C ATOM 316 CZ TYR A 23 4.051 -14.222 8.111 1.00 0.00 C ATOM 317 OH TYR A 23 3.784 -15.452 8.667 1.00 0.00 O ATOM 0 H TYR A 23 2.969 -9.287 7.476 1.00 0.00 H new ATOM 0 HA TYR A 23 5.673 -9.644 8.231 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.071 -10.115 5.700 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.788 -10.457 5.769 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.366 -11.784 8.175 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.745 -12.010 5.941 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.893 -13.980 9.167 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.266 -14.202 6.936 1.00 0.00 H new ATOM 0 HH TYR A 23 2.845 -15.684 8.512 1.00 0.00 H new ATOM 327 N TYR A 24 5.036 -7.277 6.028 1.00 0.00 N ATOM 328 CA TYR A 24 5.601 -6.108 5.364 1.00 0.00 C ATOM 329 C TYR A 24 6.087 -5.084 6.384 1.00 0.00 C ATOM 330 O TYR A 24 7.235 -4.645 6.341 1.00 0.00 O ATOM 331 CB TYR A 24 4.564 -5.470 4.438 1.00 0.00 C ATOM 332 CG TYR A 24 5.166 -4.576 3.379 1.00 0.00 C ATOM 333 CD1 TYR A 24 6.004 -3.522 3.726 1.00 0.00 C ATOM 334 CD2 TYR A 24 4.898 -4.783 2.032 1.00 0.00 C ATOM 335 CE1 TYR A 24 6.556 -2.702 2.762 1.00 0.00 C ATOM 336 CE2 TYR A 24 5.448 -3.968 1.061 1.00 0.00 C ATOM 337 CZ TYR A 24 6.276 -2.929 1.430 1.00 0.00 C ATOM 338 OH TYR A 24 6.824 -2.114 0.466 1.00 0.00 O ATOM 0 H TYR A 24 4.037 -7.411 5.869 1.00 0.00 H new ATOM 0 HA TYR A 24 6.455 -6.436 4.771 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.989 -6.259 3.952 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.863 -4.888 5.037 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.227 -3.342 4.767 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.249 -5.595 1.739 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.204 -1.887 3.049 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.230 -4.144 0.018 1.00 0.00 H new ATOM 0 HH TYR A 24 6.528 -2.410 -0.420 1.00 0.00 H new ATOM 348 N ALA A 25 5.203 -4.708 7.303 1.00 0.00 N ATOM 349 CA ALA A 25 5.541 -3.738 8.337 1.00 0.00 C ATOM 350 C ALA A 25 6.931 -4.002 8.904 1.00 0.00 C ATOM 351 O ALA A 25 7.783 -3.114 8.924 1.00 0.00 O ATOM 352 CB ALA A 25 4.501 -3.767 9.448 1.00 0.00 C ATOM 0 H ALA A 25 4.247 -5.061 7.352 1.00 0.00 H new ATOM 0 HA ALA A 25 5.545 -2.747 7.883 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.766 -3.038 10.214 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.522 -3.522 9.036 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.469 -4.762 9.891 1.00 0.00 H new ATOM 358 N MET A 26 7.154 -5.229 9.365 1.00 0.00 N ATOM 359 CA MET A 26 8.443 -5.609 9.932 1.00 0.00 C ATOM 360 C MET A 26 9.533 -5.592 8.866 1.00 0.00 C ATOM 361 O MET A 26 10.646 -5.129 9.110 1.00 0.00 O ATOM 362 CB MET A 26 8.355 -6.999 10.566 1.00 0.00 C ATOM 363 CG MET A 26 7.353 -7.084 11.707 1.00 0.00 C ATOM 364 SD MET A 26 7.081 -8.776 12.266 1.00 0.00 S ATOM 365 CE MET A 26 6.151 -9.443 10.888 1.00 0.00 C ATOM 0 H MET A 26 6.460 -5.976 9.357 1.00 0.00 H new ATOM 0 HA MET A 26 8.702 -4.882 10.702 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.082 -7.723 9.798 1.00 0.00 H new ATOM 0 HB3 MET A 26 9.340 -7.284 10.936 1.00 0.00 H new ATOM 0 HG2 MET A 26 7.708 -6.482 12.543 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.404 -6.655 11.385 1.00 0.00 H new ATOM 0 HE1 MET A 26 6.407 -10.494 10.751 1.00 0.00 H new ATOM 0 HE2 MET A 26 5.084 -9.353 11.091 1.00 0.00 H new ATOM 0 HE3 MET A 26 6.396 -8.889 9.982 1.00 0.00 H new ATOM 375 N ASN A 27 9.205 -6.100 7.682 1.00 0.00 N ATOM 376 CA ASN A 27 10.157 -6.144 6.578 1.00 0.00 C ATOM 377 C ASN A 27 9.582 -5.469 5.337 1.00 0.00 C ATOM 378 O ASN A 27 8.595 -5.934 4.766 1.00 0.00 O ATOM 379 CB ASN A 27 10.532 -7.593 6.258 1.00 0.00 C ATOM 380 CG ASN A 27 11.809 -7.693 5.447 1.00 0.00 C ATOM 381 OD1 ASN A 27 12.577 -6.735 5.356 1.00 0.00 O ATOM 382 ND2 ASN A 27 12.042 -8.858 4.853 1.00 0.00 N ATOM 0 H ASN A 27 8.287 -6.487 7.463 1.00 0.00 H new ATOM 0 HA ASN A 27 11.053 -5.603 6.881 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.651 -8.149 7.188 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.717 -8.063 5.708 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.886 -8.986 4.294 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.377 -9.625 4.956 1.00 0.00 H new ATOM 389 N MET A 28 10.206 -4.371 4.924 1.00 0.00 N ATOM 390 CA MET A 28 9.757 -3.633 3.749 1.00 0.00 C ATOM 391 C MET A 28 9.612 -4.562 2.547 1.00 0.00 C ATOM 392 O MET A 28 8.505 -4.795 2.063 1.00 0.00 O ATOM 393 CB MET A 28 10.739 -2.507 3.422 1.00 0.00 C ATOM 394 CG MET A 28 11.004 -1.573 4.592 1.00 0.00 C ATOM 395 SD MET A 28 9.804 -0.232 4.696 1.00 0.00 S ATOM 396 CE MET A 28 8.553 -0.976 5.740 1.00 0.00 C ATOM 0 H MET A 28 11.024 -3.973 5.385 1.00 0.00 H new ATOM 0 HA MET A 28 8.781 -3.201 3.972 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.683 -2.943 3.095 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.349 -1.927 2.586 1.00 0.00 H new ATOM 0 HG2 MET A 28 10.985 -2.145 5.520 1.00 0.00 H new ATOM 0 HG3 MET A 28 12.005 -1.153 4.497 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.593 -0.963 5.223 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.831 -2.006 5.964 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.472 -0.412 6.669 1.00 0.00 H new ATOM 406 N GLU A 29 10.737 -5.087 2.071 1.00 0.00 N ATOM 407 CA GLU A 29 10.733 -5.988 0.925 1.00 0.00 C ATOM 408 C GLU A 29 11.313 -7.349 1.301 1.00 0.00 C ATOM 409 O GLU A 29 12.526 -7.527 1.404 1.00 0.00 O ATOM 410 CB GLU A 29 11.532 -5.383 -0.231 1.00 0.00 C ATOM 411 CG GLU A 29 11.034 -4.014 -0.664 1.00 0.00 C ATOM 412 CD GLU A 29 11.867 -3.417 -1.781 1.00 0.00 C ATOM 413 OE1 GLU A 29 11.807 -3.944 -2.912 1.00 0.00 O ATOM 414 OE2 GLU A 29 12.579 -2.423 -1.526 1.00 0.00 O ATOM 0 H GLU A 29 11.662 -4.904 2.461 1.00 0.00 H new ATOM 0 HA GLU A 29 9.699 -6.127 0.609 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.578 -5.303 0.064 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.492 -6.061 -1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.998 -4.096 -0.992 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.045 -3.340 0.192 1.00 0.00 H new ATOM 421 N PRO A 30 10.425 -8.332 1.511 1.00 0.00 N ATOM 422 CA PRO A 30 10.824 -9.693 1.879 1.00 0.00 C ATOM 423 C PRO A 30 11.511 -10.426 0.732 1.00 0.00 C ATOM 424 O PRO A 30 11.354 -10.061 -0.432 1.00 0.00 O ATOM 425 CB PRO A 30 9.497 -10.371 2.228 1.00 0.00 C ATOM 426 CG PRO A 30 8.471 -9.610 1.461 1.00 0.00 C ATOM 427 CD PRO A 30 8.963 -8.190 1.406 1.00 0.00 C ATOM 0 HA PRO A 30 11.548 -9.698 2.694 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.503 -11.424 1.945 1.00 0.00 H new ATOM 0 HB3 PRO A 30 9.301 -10.331 3.300 1.00 0.00 H new ATOM 0 HG2 PRO A 30 8.350 -10.020 0.458 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.498 -9.667 1.948 1.00 0.00 H new ATOM 0 HD2 PRO A 30 8.672 -7.700 0.477 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.558 -7.592 2.222 1.00 0.00 H new ATOM 435 N ASN A 31 12.273 -11.462 1.069 1.00 0.00 N ATOM 436 CA ASN A 31 12.983 -12.246 0.065 1.00 0.00 C ATOM 437 C ASN A 31 12.281 -13.577 -0.183 1.00 0.00 C ATOM 438 O ASN A 31 11.441 -14.005 0.609 1.00 0.00 O ATOM 439 CB ASN A 31 14.426 -12.494 0.510 1.00 0.00 C ATOM 440 CG ASN A 31 14.550 -13.692 1.431 1.00 0.00 C ATOM 441 OD1 ASN A 31 15.105 -14.724 1.054 1.00 0.00 O ATOM 442 ND2 ASN A 31 14.031 -13.560 2.646 1.00 0.00 N ATOM 0 H ASN A 31 12.414 -11.778 2.029 1.00 0.00 H new ATOM 0 HA ASN A 31 12.988 -11.679 -0.866 1.00 0.00 H new ATOM 0 HB2 ASN A 31 15.053 -12.648 -0.368 1.00 0.00 H new ATOM 0 HB3 ASN A 31 14.804 -11.607 1.019 1.00 0.00 H new ATOM 0 HD21 ASN A 31 14.083 -14.333 3.310 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.580 -12.686 2.916 1.00 0.00 H new ATOM 449 N SER A 32 12.630 -14.228 -1.288 1.00 0.00 N ATOM 450 CA SER A 32 12.031 -15.509 -1.643 1.00 0.00 C ATOM 451 C SER A 32 11.711 -16.324 -0.394 1.00 0.00 C ATOM 452 O SER A 32 10.593 -16.812 -0.228 1.00 0.00 O ATOM 453 CB SER A 32 12.971 -16.301 -2.555 1.00 0.00 C ATOM 454 OG SER A 32 12.243 -17.158 -3.416 1.00 0.00 O ATOM 0 H SER A 32 13.325 -13.889 -1.953 1.00 0.00 H new ATOM 0 HA SER A 32 11.101 -15.311 -2.175 1.00 0.00 H new ATOM 0 HB2 SER A 32 13.574 -15.613 -3.147 1.00 0.00 H new ATOM 0 HB3 SER A 32 13.661 -16.889 -1.949 1.00 0.00 H new ATOM 0 HG SER A 32 12.866 -17.652 -3.990 1.00 0.00 H new ATOM 460 N ASP A 33 12.700 -16.466 0.482 1.00 0.00 N ATOM 461 CA ASP A 33 12.524 -17.220 1.717 1.00 0.00 C ATOM 462 C ASP A 33 11.286 -16.747 2.472 1.00 0.00 C ATOM 463 O ASP A 33 10.381 -17.532 2.751 1.00 0.00 O ATOM 464 CB ASP A 33 13.762 -17.080 2.605 1.00 0.00 C ATOM 465 CG ASP A 33 14.848 -18.074 2.245 1.00 0.00 C ATOM 466 OD1 ASP A 33 14.560 -19.289 2.232 1.00 0.00 O ATOM 467 OD2 ASP A 33 15.987 -17.637 1.976 1.00 0.00 O ATOM 0 H ASP A 33 13.631 -16.069 0.359 1.00 0.00 H new ATOM 0 HA ASP A 33 12.389 -18.270 1.456 1.00 0.00 H new ATOM 0 HB2 ASP A 33 14.156 -16.068 2.517 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.476 -17.221 3.647 1.00 0.00 H new ATOM 472 N GLU A 34 11.254 -15.459 2.799 1.00 0.00 N ATOM 473 CA GLU A 34 10.127 -14.883 3.523 1.00 0.00 C ATOM 474 C GLU A 34 8.850 -14.959 2.692 1.00 0.00 C ATOM 475 O GLU A 34 7.837 -15.500 3.137 1.00 0.00 O ATOM 476 CB GLU A 34 10.421 -13.428 3.895 1.00 0.00 C ATOM 477 CG GLU A 34 11.637 -13.262 4.791 1.00 0.00 C ATOM 478 CD GLU A 34 11.330 -13.541 6.249 1.00 0.00 C ATOM 479 OE1 GLU A 34 10.359 -14.278 6.521 1.00 0.00 O ATOM 480 OE2 GLU A 34 12.061 -13.023 7.119 1.00 0.00 O ATOM 0 H GLU A 34 11.995 -14.795 2.574 1.00 0.00 H new ATOM 0 HA GLU A 34 9.981 -15.461 4.435 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.572 -12.852 2.982 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.550 -13.007 4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.426 -13.935 4.455 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.020 -12.246 4.692 1.00 0.00 H new ATOM 487 N LEU A 35 8.906 -14.413 1.482 1.00 0.00 N ATOM 488 CA LEU A 35 7.754 -14.418 0.586 1.00 0.00 C ATOM 489 C LEU A 35 7.015 -15.750 0.657 1.00 0.00 C ATOM 490 O LEU A 35 5.794 -15.787 0.820 1.00 0.00 O ATOM 491 CB LEU A 35 8.200 -14.144 -0.851 1.00 0.00 C ATOM 492 CG LEU A 35 8.246 -12.675 -1.272 1.00 0.00 C ATOM 493 CD1 LEU A 35 8.827 -12.539 -2.671 1.00 0.00 C ATOM 494 CD2 LEU A 35 6.857 -12.058 -1.206 1.00 0.00 C ATOM 0 H LEU A 35 9.736 -13.961 1.099 1.00 0.00 H new ATOM 0 HA LEU A 35 7.073 -13.629 0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.193 -14.572 -0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.528 -14.674 -1.526 1.00 0.00 H new ATOM 0 HG LEU A 35 8.893 -12.138 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.852 -11.487 -2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.839 -12.943 -2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.207 -13.090 -3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.909 -11.012 -1.509 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.187 -12.597 -1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.479 -12.122 -0.186 1.00 0.00 H new ATOM 506 N LEU A 36 7.761 -16.842 0.536 1.00 0.00 N ATOM 507 CA LEU A 36 7.177 -18.178 0.589 1.00 0.00 C ATOM 508 C LEU A 36 6.382 -18.374 1.876 1.00 0.00 C ATOM 509 O LEU A 36 5.173 -18.605 1.842 1.00 0.00 O ATOM 510 CB LEU A 36 8.274 -19.239 0.486 1.00 0.00 C ATOM 511 CG LEU A 36 7.801 -20.694 0.486 1.00 0.00 C ATOM 512 CD1 LEU A 36 6.663 -20.885 -0.505 1.00 0.00 C ATOM 513 CD2 LEU A 36 8.956 -21.629 0.160 1.00 0.00 C ATOM 0 H LEU A 36 8.772 -16.829 0.400 1.00 0.00 H new ATOM 0 HA LEU A 36 6.496 -18.285 -0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.839 -19.061 -0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.964 -19.102 1.319 1.00 0.00 H new ATOM 0 HG LEU A 36 7.432 -20.937 1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.339 -21.926 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.828 -20.242 -0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.005 -20.625 -1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.602 -22.660 0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.354 -21.386 -0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.741 -21.512 0.907 1.00 0.00 H new ATOM 525 N LYS A 37 7.068 -18.278 3.010 1.00 0.00 N ATOM 526 CA LYS A 37 6.427 -18.441 4.309 1.00 0.00 C ATOM 527 C LYS A 37 5.191 -17.554 4.421 1.00 0.00 C ATOM 528 O LYS A 37 4.142 -17.993 4.893 1.00 0.00 O ATOM 529 CB LYS A 37 7.411 -18.107 5.432 1.00 0.00 C ATOM 530 CG LYS A 37 8.132 -19.321 5.990 1.00 0.00 C ATOM 531 CD LYS A 37 7.438 -19.862 7.229 1.00 0.00 C ATOM 532 CE LYS A 37 6.446 -20.959 6.878 1.00 0.00 C ATOM 533 NZ LYS A 37 7.102 -22.294 6.792 1.00 0.00 N ATOM 0 H LYS A 37 8.069 -18.088 3.055 1.00 0.00 H new ATOM 0 HA LYS A 37 6.116 -19.481 4.405 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.149 -17.397 5.058 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.873 -17.612 6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.178 -20.100 5.229 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.160 -19.054 6.235 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.182 -20.252 7.923 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.919 -19.051 7.740 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.657 -20.990 7.630 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.969 -20.727 5.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.392 -23.015 6.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.837 -22.273 6.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.535 -22.528 7.708 1.00 0.00 H new ATOM 547 N ILE A 38 5.322 -16.307 3.983 1.00 0.00 N ATOM 548 CA ILE A 38 4.215 -15.360 4.032 1.00 0.00 C ATOM 549 C ILE A 38 2.961 -15.948 3.393 1.00 0.00 C ATOM 550 O ILE A 38 1.873 -15.888 3.967 1.00 0.00 O ATOM 551 CB ILE A 38 4.570 -14.041 3.320 1.00 0.00 C ATOM 552 CG1 ILE A 38 5.764 -13.373 4.003 1.00 0.00 C ATOM 553 CG2 ILE A 38 3.369 -13.107 3.307 1.00 0.00 C ATOM 554 CD1 ILE A 38 6.472 -12.361 3.130 1.00 0.00 C ATOM 0 H ILE A 38 6.184 -15.929 3.590 1.00 0.00 H new ATOM 0 HA ILE A 38 4.022 -15.154 5.085 1.00 0.00 H new ATOM 0 HB ILE A 38 4.844 -14.264 2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.422 -12.880 4.913 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.476 -14.141 4.305 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.635 -12.179 2.801 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.543 -13.584 2.780 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.067 -12.888 4.331 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.308 -11.928 3.680 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.845 -12.853 2.231 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.775 -11.572 2.849 1.00 0.00 H new ATOM 566 N SER A 39 3.120 -16.517 2.203 1.00 0.00 N ATOM 567 CA SER A 39 2.000 -17.115 1.485 1.00 0.00 C ATOM 568 C SER A 39 1.639 -18.474 2.077 1.00 0.00 C ATOM 569 O SER A 39 0.540 -18.985 1.859 1.00 0.00 O ATOM 570 CB SER A 39 2.341 -17.266 0.001 1.00 0.00 C ATOM 571 OG SER A 39 2.969 -18.510 -0.253 1.00 0.00 O ATOM 0 H SER A 39 4.014 -16.577 1.715 1.00 0.00 H new ATOM 0 HA SER A 39 1.140 -16.454 1.587 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.432 -17.186 -0.594 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.998 -16.453 -0.309 1.00 0.00 H new ATOM 0 HG SER A 39 2.293 -19.171 -0.512 1.00 0.00 H new ATOM 577 N ILE A 40 2.571 -19.053 2.826 1.00 0.00 N ATOM 578 CA ILE A 40 2.351 -20.351 3.450 1.00 0.00 C ATOM 579 C ILE A 40 1.473 -20.223 4.690 1.00 0.00 C ATOM 580 O ILE A 40 0.422 -20.856 4.787 1.00 0.00 O ATOM 581 CB ILE A 40 3.681 -21.020 3.843 1.00 0.00 C ATOM 582 CG1 ILE A 40 4.384 -21.576 2.603 1.00 0.00 C ATOM 583 CG2 ILE A 40 3.439 -22.124 4.861 1.00 0.00 C ATOM 584 CD1 ILE A 40 5.751 -22.155 2.892 1.00 0.00 C ATOM 0 H ILE A 40 3.486 -18.643 3.015 1.00 0.00 H new ATOM 0 HA ILE A 40 1.845 -20.974 2.712 1.00 0.00 H new ATOM 0 HB ILE A 40 4.327 -20.269 4.298 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.758 -22.349 2.156 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.484 -20.780 1.865 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.389 -22.587 5.128 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.977 -21.701 5.753 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.777 -22.876 4.432 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.190 -22.530 1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.393 -21.380 3.310 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.656 -22.973 3.607 1.00 0.00 H new ATOM 596 N ALA A 41 1.911 -19.399 5.636 1.00 0.00 N ATOM 597 CA ALA A 41 1.164 -19.184 6.869 1.00 0.00 C ATOM 598 C ALA A 41 -0.315 -18.950 6.581 1.00 0.00 C ATOM 599 O ALA A 41 -1.184 -19.433 7.308 1.00 0.00 O ATOM 600 CB ALA A 41 1.745 -18.009 7.641 1.00 0.00 C ATOM 0 H ALA A 41 2.780 -18.869 5.572 1.00 0.00 H new ATOM 0 HA ALA A 41 1.251 -20.084 7.478 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.177 -17.860 8.559 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.786 -18.215 7.888 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.688 -17.108 7.030 1.00 0.00 H new ATOM 606 N VAL A 42 -0.595 -18.206 5.515 1.00 0.00 N ATOM 607 CA VAL A 42 -1.970 -17.909 5.131 1.00 0.00 C ATOM 608 C VAL A 42 -2.542 -19.007 4.241 1.00 0.00 C ATOM 609 O VAL A 42 -3.744 -19.266 4.252 1.00 0.00 O ATOM 610 CB VAL A 42 -2.066 -16.561 4.391 1.00 0.00 C ATOM 611 CG1 VAL A 42 -1.878 -15.405 5.360 1.00 0.00 C ATOM 612 CG2 VAL A 42 -1.044 -16.497 3.266 1.00 0.00 C ATOM 0 H VAL A 42 0.112 -17.798 4.903 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.551 -17.853 6.051 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.060 -16.477 3.953 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.949 -14.461 4.819 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.652 -15.443 6.126 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.898 -15.480 5.831 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.126 -15.538 2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.041 -16.603 3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.232 -17.304 2.557 1.00 0.00 H new ATOM 622 N GLY A 43 -1.670 -19.650 3.470 1.00 0.00 N ATOM 623 CA GLY A 43 -2.107 -20.714 2.585 1.00 0.00 C ATOM 624 C GLY A 43 -2.249 -20.251 1.148 1.00 0.00 C ATOM 625 O GLY A 43 -2.621 -21.031 0.271 1.00 0.00 O ATOM 0 H GLY A 43 -0.670 -19.453 3.443 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.393 -21.536 2.630 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.063 -21.103 2.934 1.00 0.00 H new ATOM 629 N LEU A 44 -1.955 -18.978 0.907 1.00 0.00 N ATOM 630 CA LEU A 44 -2.054 -18.411 -0.433 1.00 0.00 C ATOM 631 C LEU A 44 -0.824 -18.761 -1.265 1.00 0.00 C ATOM 632 O LEU A 44 0.250 -19.052 -0.738 1.00 0.00 O ATOM 633 CB LEU A 44 -2.215 -16.892 -0.355 1.00 0.00 C ATOM 634 CG LEU A 44 -3.609 -16.383 0.015 1.00 0.00 C ATOM 635 CD1 LEU A 44 -3.541 -14.941 0.496 1.00 0.00 C ATOM 636 CD2 LEU A 44 -4.555 -16.508 -1.170 1.00 0.00 C ATOM 0 H LEU A 44 -1.646 -18.319 1.622 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.932 -18.839 -0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.504 -16.508 0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.939 -16.467 -1.320 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.995 -16.998 0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.542 -14.596 0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.898 -14.880 1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.134 -14.312 -0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.542 -16.141 -0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.173 -15.919 -2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.628 -17.554 -1.468 1.00 0.00 H new ATOM 648 N PRO A 45 -0.981 -18.730 -2.596 1.00 0.00 N ATOM 649 CA PRO A 45 0.106 -19.038 -3.529 1.00 0.00 C ATOM 650 C PRO A 45 1.188 -17.964 -3.534 1.00 0.00 C ATOM 651 O PRO A 45 0.925 -16.807 -3.864 1.00 0.00 O ATOM 652 CB PRO A 45 -0.597 -19.095 -4.888 1.00 0.00 C ATOM 653 CG PRO A 45 -1.803 -18.235 -4.726 1.00 0.00 C ATOM 654 CD PRO A 45 -2.233 -18.391 -3.294 1.00 0.00 C ATOM 0 HA PRO A 45 0.622 -19.960 -3.262 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.049 -18.725 -5.684 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.872 -20.117 -5.149 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.573 -17.194 -4.953 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.596 -18.543 -5.407 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.674 -17.473 -2.905 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.981 -19.176 -3.182 1.00 0.00 H new ATOM 662 N GLN A 46 2.405 -18.354 -3.167 1.00 0.00 N ATOM 663 CA GLN A 46 3.526 -17.422 -3.129 1.00 0.00 C ATOM 664 C GLN A 46 3.499 -16.489 -4.335 1.00 0.00 C ATOM 665 O GLN A 46 3.813 -15.305 -4.221 1.00 0.00 O ATOM 666 CB GLN A 46 4.850 -18.187 -3.090 1.00 0.00 C ATOM 667 CG GLN A 46 6.042 -17.320 -2.717 1.00 0.00 C ATOM 668 CD GLN A 46 7.354 -18.077 -2.774 1.00 0.00 C ATOM 669 OE1 GLN A 46 7.404 -19.224 -3.218 1.00 0.00 O ATOM 670 NE2 GLN A 46 8.427 -17.438 -2.322 1.00 0.00 N ATOM 0 H GLN A 46 2.639 -19.308 -2.892 1.00 0.00 H new ATOM 0 HA GLN A 46 3.436 -16.820 -2.225 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.767 -19.004 -2.373 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.029 -18.636 -4.067 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.090 -16.465 -3.392 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.898 -16.924 -1.712 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.341 -16.487 -1.962 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.337 -17.898 -2.335 1.00 0.00 H new ATOM 679 N GLU A 47 3.123 -17.032 -5.489 1.00 0.00 N ATOM 680 CA GLU A 47 3.057 -16.246 -6.716 1.00 0.00 C ATOM 681 C GLU A 47 2.190 -15.006 -6.522 1.00 0.00 C ATOM 682 O GLU A 47 2.546 -13.911 -6.959 1.00 0.00 O ATOM 683 CB GLU A 47 2.504 -17.096 -7.862 1.00 0.00 C ATOM 684 CG GLU A 47 3.347 -18.321 -8.174 1.00 0.00 C ATOM 685 CD GLU A 47 2.964 -18.973 -9.488 1.00 0.00 C ATOM 686 OE1 GLU A 47 3.012 -18.283 -10.528 1.00 0.00 O ATOM 687 OE2 GLU A 47 2.618 -20.172 -9.477 1.00 0.00 O ATOM 0 H GLU A 47 2.860 -18.011 -5.600 1.00 0.00 H new ATOM 0 HA GLU A 47 4.068 -15.924 -6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.493 -17.416 -7.610 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.430 -16.479 -8.757 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.398 -18.035 -8.207 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.239 -19.047 -7.368 1.00 0.00 H new ATOM 694 N PHE A 48 1.049 -15.186 -5.865 1.00 0.00 N ATOM 695 CA PHE A 48 0.129 -14.083 -5.614 1.00 0.00 C ATOM 696 C PHE A 48 0.737 -13.079 -4.639 1.00 0.00 C ATOM 697 O PHE A 48 0.904 -11.903 -4.965 1.00 0.00 O ATOM 698 CB PHE A 48 -1.196 -14.611 -5.060 1.00 0.00 C ATOM 699 CG PHE A 48 -2.178 -13.528 -4.718 1.00 0.00 C ATOM 700 CD1 PHE A 48 -2.020 -12.768 -3.570 1.00 0.00 C ATOM 701 CD2 PHE A 48 -3.259 -13.269 -5.545 1.00 0.00 C ATOM 702 CE1 PHE A 48 -2.922 -11.770 -3.253 1.00 0.00 C ATOM 703 CE2 PHE A 48 -4.164 -12.272 -5.233 1.00 0.00 C ATOM 704 CZ PHE A 48 -3.996 -11.522 -4.085 1.00 0.00 C ATOM 0 H PHE A 48 0.739 -16.085 -5.497 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.058 -13.576 -6.561 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.646 -15.280 -5.793 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.997 -15.204 -4.168 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.182 -12.958 -2.915 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -3.396 -13.853 -6.443 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.787 -11.185 -2.355 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.002 -12.079 -5.886 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.703 -10.744 -3.839 1.00 0.00 H new ATOM 714 N VAL A 49 1.065 -13.551 -3.441 1.00 0.00 N ATOM 715 CA VAL A 49 1.654 -12.695 -2.417 1.00 0.00 C ATOM 716 C VAL A 49 2.713 -11.775 -3.014 1.00 0.00 C ATOM 717 O VAL A 49 2.790 -10.595 -2.672 1.00 0.00 O ATOM 718 CB VAL A 49 2.290 -13.528 -1.288 1.00 0.00 C ATOM 719 CG1 VAL A 49 3.251 -12.676 -0.472 1.00 0.00 C ATOM 720 CG2 VAL A 49 1.213 -14.131 -0.400 1.00 0.00 C ATOM 0 H VAL A 49 0.933 -14.521 -3.155 1.00 0.00 H new ATOM 0 HA VAL A 49 0.845 -12.093 -2.003 1.00 0.00 H new ATOM 0 HB VAL A 49 2.857 -14.344 -1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.691 -13.281 0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.041 -12.297 -1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.710 -11.838 -0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.680 -14.716 0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.617 -13.333 0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.569 -14.777 -0.997 1.00 0.00 H new ATOM 730 N LYS A 50 3.530 -12.323 -3.908 1.00 0.00 N ATOM 731 CA LYS A 50 4.585 -11.552 -4.554 1.00 0.00 C ATOM 732 C LYS A 50 4.018 -10.295 -5.208 1.00 0.00 C ATOM 733 O LYS A 50 4.425 -9.180 -4.885 1.00 0.00 O ATOM 734 CB LYS A 50 5.300 -12.407 -5.603 1.00 0.00 C ATOM 735 CG LYS A 50 6.123 -11.597 -6.590 1.00 0.00 C ATOM 736 CD LYS A 50 7.455 -11.176 -5.991 1.00 0.00 C ATOM 737 CE LYS A 50 7.377 -9.785 -5.380 1.00 0.00 C ATOM 738 NZ LYS A 50 7.060 -9.835 -3.926 1.00 0.00 N ATOM 0 H LYS A 50 3.481 -13.299 -4.201 1.00 0.00 H new ATOM 0 HA LYS A 50 5.301 -11.251 -3.789 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.952 -13.118 -5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.559 -12.989 -6.152 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.298 -12.187 -7.490 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.563 -10.712 -6.892 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.755 -11.894 -5.227 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.224 -11.193 -6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.326 -9.270 -5.527 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.615 -9.203 -5.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.116 -9.430 -3.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.074 -10.823 -3.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.768 -9.287 -3.397 1.00 0.00 H new ATOM 752 N GLU A 51 3.075 -10.485 -6.126 1.00 0.00 N ATOM 753 CA GLU A 51 2.453 -9.366 -6.823 1.00 0.00 C ATOM 754 C GLU A 51 1.872 -8.362 -5.831 1.00 0.00 C ATOM 755 O GLU A 51 1.955 -7.151 -6.036 1.00 0.00 O ATOM 756 CB GLU A 51 1.353 -9.868 -7.761 1.00 0.00 C ATOM 757 CG GLU A 51 1.883 -10.553 -9.009 1.00 0.00 C ATOM 758 CD GLU A 51 0.838 -10.666 -10.101 1.00 0.00 C ATOM 759 OE1 GLU A 51 -0.094 -9.835 -10.119 1.00 0.00 O ATOM 760 OE2 GLU A 51 0.952 -11.586 -10.938 1.00 0.00 O ATOM 0 H GLU A 51 2.726 -11.402 -6.404 1.00 0.00 H new ATOM 0 HA GLU A 51 3.222 -8.866 -7.412 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.714 -10.565 -7.218 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.727 -9.026 -8.057 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.740 -9.997 -9.388 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.240 -11.549 -8.748 1.00 0.00 H new ATOM 767 N TRP A 52 1.283 -8.875 -4.756 1.00 0.00 N ATOM 768 CA TRP A 52 0.687 -8.024 -3.732 1.00 0.00 C ATOM 769 C TRP A 52 1.713 -7.044 -3.174 1.00 0.00 C ATOM 770 O TRP A 52 1.458 -5.842 -3.093 1.00 0.00 O ATOM 771 CB TRP A 52 0.112 -8.879 -2.602 1.00 0.00 C ATOM 772 CG TRP A 52 -0.581 -8.075 -1.544 1.00 0.00 C ATOM 773 CD1 TRP A 52 -1.801 -7.469 -1.643 1.00 0.00 C ATOM 774 CD2 TRP A 52 -0.094 -7.789 -0.228 1.00 0.00 C ATOM 775 NE1 TRP A 52 -2.102 -6.823 -0.467 1.00 0.00 N ATOM 776 CE2 TRP A 52 -1.071 -7.005 0.417 1.00 0.00 C ATOM 777 CE3 TRP A 52 1.071 -8.121 0.469 1.00 0.00 C ATOM 778 CZ2 TRP A 52 -0.916 -6.548 1.723 1.00 0.00 C ATOM 779 CZ3 TRP A 52 1.223 -7.666 1.765 1.00 0.00 C ATOM 780 CH2 TRP A 52 0.234 -6.888 2.381 1.00 0.00 C ATOM 0 H TRP A 52 1.205 -9.875 -4.571 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.119 -7.453 -4.192 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -0.592 -9.598 -3.022 1.00 0.00 H new ATOM 0 HB3 TRP A 52 0.918 -9.452 -2.143 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -2.436 -7.494 -2.516 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -2.954 -6.294 -0.283 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.838 -8.722 0.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -1.676 -5.947 2.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.120 -7.915 2.313 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.383 -6.550 3.396 1.00 0.00 H new ATOM 791 N PHE A 53 2.874 -7.564 -2.791 1.00 0.00 N ATOM 792 CA PHE A 53 3.939 -6.734 -2.239 1.00 0.00 C ATOM 793 C PHE A 53 4.415 -5.708 -3.263 1.00 0.00 C ATOM 794 O PHE A 53 4.700 -4.561 -2.921 1.00 0.00 O ATOM 795 CB PHE A 53 5.114 -7.606 -1.790 1.00 0.00 C ATOM 796 CG PHE A 53 5.015 -8.053 -0.359 1.00 0.00 C ATOM 797 CD1 PHE A 53 4.373 -9.237 -0.032 1.00 0.00 C ATOM 798 CD2 PHE A 53 5.566 -7.291 0.658 1.00 0.00 C ATOM 799 CE1 PHE A 53 4.281 -9.650 1.283 1.00 0.00 C ATOM 800 CE2 PHE A 53 5.477 -7.700 1.976 1.00 0.00 C ATOM 801 CZ PHE A 53 4.834 -8.881 2.288 1.00 0.00 C ATOM 0 H PHE A 53 3.102 -8.556 -2.853 1.00 0.00 H new ATOM 0 HA PHE A 53 3.540 -6.202 -1.376 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.172 -8.484 -2.434 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.042 -7.050 -1.925 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.940 -9.843 -0.814 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.071 -6.367 0.419 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.777 -10.574 1.525 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.910 -7.096 2.760 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.764 -9.203 3.316 1.00 0.00 H new ATOM 811 N GLU A 54 4.498 -6.131 -4.521 1.00 0.00 N ATOM 812 CA GLU A 54 4.941 -5.250 -5.595 1.00 0.00 C ATOM 813 C GLU A 54 4.115 -3.967 -5.621 1.00 0.00 C ATOM 814 O GLU A 54 4.655 -2.874 -5.786 1.00 0.00 O ATOM 815 CB GLU A 54 4.839 -5.963 -6.945 1.00 0.00 C ATOM 816 CG GLU A 54 5.664 -7.237 -7.024 1.00 0.00 C ATOM 817 CD GLU A 54 6.134 -7.540 -8.433 1.00 0.00 C ATOM 818 OE1 GLU A 54 6.406 -6.582 -9.187 1.00 0.00 O ATOM 819 OE2 GLU A 54 6.231 -8.735 -8.783 1.00 0.00 O ATOM 0 H GLU A 54 4.264 -7.078 -4.821 1.00 0.00 H new ATOM 0 HA GLU A 54 5.983 -4.988 -5.409 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.794 -6.204 -7.141 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.162 -5.281 -7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.530 -7.146 -6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.070 -8.073 -6.655 1.00 0.00 H new ATOM 826 N GLN A 55 2.804 -4.111 -5.458 1.00 0.00 N ATOM 827 CA GLN A 55 1.904 -2.964 -5.464 1.00 0.00 C ATOM 828 C GLN A 55 2.389 -1.885 -4.502 1.00 0.00 C ATOM 829 O GLN A 55 2.520 -0.720 -4.876 1.00 0.00 O ATOM 830 CB GLN A 55 0.486 -3.400 -5.088 1.00 0.00 C ATOM 831 CG GLN A 55 -0.311 -3.954 -6.257 1.00 0.00 C ATOM 832 CD GLN A 55 -1.800 -4.008 -5.975 1.00 0.00 C ATOM 833 OE1 GLN A 55 -2.573 -3.212 -6.508 1.00 0.00 O ATOM 834 NE2 GLN A 55 -2.209 -4.950 -5.134 1.00 0.00 N ATOM 0 H GLN A 55 2.342 -5.010 -5.320 1.00 0.00 H new ATOM 0 HA GLN A 55 1.894 -2.548 -6.471 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.543 -4.158 -4.307 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.047 -2.548 -4.667 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.134 -3.336 -7.138 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.047 -4.956 -6.493 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.533 -5.589 -4.715 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.200 -5.035 -4.906 1.00 0.00 H new ATOM 843 N ARG A 56 2.655 -2.281 -3.262 1.00 0.00 N ATOM 844 CA ARG A 56 3.125 -1.348 -2.246 1.00 0.00 C ATOM 845 C ARG A 56 4.247 -0.469 -2.792 1.00 0.00 C ATOM 846 O ARG A 56 4.255 0.745 -2.587 1.00 0.00 O ATOM 847 CB ARG A 56 3.613 -2.108 -1.011 1.00 0.00 C ATOM 848 CG ARG A 56 2.526 -2.353 0.022 1.00 0.00 C ATOM 849 CD ARG A 56 1.695 -3.579 -0.325 1.00 0.00 C ATOM 850 NE ARG A 56 0.364 -3.525 0.274 1.00 0.00 N ATOM 851 CZ ARG A 56 -0.561 -2.635 -0.069 1.00 0.00 C ATOM 852 NH1 ARG A 56 -0.300 -1.729 -1.002 1.00 0.00 N ATOM 853 NH2 ARG A 56 -1.749 -2.649 0.522 1.00 0.00 N ATOM 0 H ARG A 56 2.553 -3.242 -2.937 1.00 0.00 H new ATOM 0 HA ARG A 56 2.290 -0.707 -1.963 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.027 -3.066 -1.325 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.424 -1.547 -0.547 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.979 -2.485 1.004 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.878 -1.479 0.085 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.602 -3.659 -1.408 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.211 -4.476 0.018 1.00 0.00 H new ATOM 0 HE ARG A 56 0.132 -4.208 0.995 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.612 -1.715 -1.458 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.012 -1.047 -1.264 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.953 -3.344 1.241 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.458 -1.965 0.258 1.00 0.00 H new ATOM 867 N LYS A 57 5.193 -1.091 -3.487 1.00 0.00 N ATOM 868 CA LYS A 57 6.320 -0.367 -4.064 1.00 0.00 C ATOM 869 C LYS A 57 5.839 0.680 -5.064 1.00 0.00 C ATOM 870 O LYS A 57 6.324 1.811 -5.075 1.00 0.00 O ATOM 871 CB LYS A 57 7.280 -1.341 -4.750 1.00 0.00 C ATOM 872 CG LYS A 57 7.665 -2.528 -3.884 1.00 0.00 C ATOM 873 CD LYS A 57 8.995 -3.123 -4.314 1.00 0.00 C ATOM 874 CE LYS A 57 8.807 -4.212 -5.358 1.00 0.00 C ATOM 875 NZ LYS A 57 8.243 -5.457 -4.767 1.00 0.00 N ATOM 0 H LYS A 57 5.202 -2.095 -3.665 1.00 0.00 H new ATOM 0 HA LYS A 57 6.845 0.143 -3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.819 -1.706 -5.668 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.184 -0.804 -5.039 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.725 -2.215 -2.842 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.888 -3.290 -3.943 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.633 -2.337 -4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.508 -3.535 -3.445 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.144 -3.851 -6.144 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.765 -4.435 -5.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.972 -6.111 -5.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.958 -5.908 -4.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.405 -5.222 -4.198 1.00 0.00 H new ATOM 889 N VAL A 58 4.883 0.295 -5.903 1.00 0.00 N ATOM 890 CA VAL A 58 4.335 1.201 -6.906 1.00 0.00 C ATOM 891 C VAL A 58 4.039 2.571 -6.305 1.00 0.00 C ATOM 892 O VAL A 58 4.349 3.602 -6.901 1.00 0.00 O ATOM 893 CB VAL A 58 3.045 0.636 -7.528 1.00 0.00 C ATOM 894 CG1 VAL A 58 2.479 1.603 -8.556 1.00 0.00 C ATOM 895 CG2 VAL A 58 3.308 -0.726 -8.154 1.00 0.00 C ATOM 0 H VAL A 58 4.472 -0.638 -5.908 1.00 0.00 H new ATOM 0 HA VAL A 58 5.090 1.304 -7.686 1.00 0.00 H new ATOM 0 HB VAL A 58 2.306 0.511 -6.737 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.568 1.186 -8.985 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.252 2.554 -8.074 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.212 1.763 -9.347 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.386 -1.111 -8.589 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.064 -0.628 -8.933 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.663 -1.416 -7.389 1.00 0.00 H new ATOM 905 N TYR A 59 3.437 2.573 -5.121 1.00 0.00 N ATOM 906 CA TYR A 59 3.097 3.816 -4.439 1.00 0.00 C ATOM 907 C TYR A 59 4.332 4.444 -3.801 1.00 0.00 C ATOM 908 O TYR A 59 4.496 5.663 -3.809 1.00 0.00 O ATOM 909 CB TYR A 59 2.031 3.562 -3.372 1.00 0.00 C ATOM 910 CG TYR A 59 0.980 2.559 -3.792 1.00 0.00 C ATOM 911 CD1 TYR A 59 1.187 1.195 -3.623 1.00 0.00 C ATOM 912 CD2 TYR A 59 -0.218 2.974 -4.359 1.00 0.00 C ATOM 913 CE1 TYR A 59 0.231 0.275 -4.006 1.00 0.00 C ATOM 914 CE2 TYR A 59 -1.181 2.061 -4.743 1.00 0.00 C ATOM 915 CZ TYR A 59 -0.951 0.713 -4.565 1.00 0.00 C ATOM 916 OH TYR A 59 -1.907 -0.200 -4.948 1.00 0.00 O ATOM 0 H TYR A 59 3.174 1.728 -4.614 1.00 0.00 H new ATOM 0 HA TYR A 59 2.701 4.510 -5.180 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.516 3.208 -2.463 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.543 4.505 -3.126 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.111 0.849 -3.185 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.400 4.029 -4.502 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.408 -0.781 -3.869 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.108 2.401 -5.180 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.680 0.273 -5.322 1.00 0.00 H new ATOM 926 N GLN A 60 5.198 3.600 -3.249 1.00 0.00 N ATOM 927 CA GLN A 60 6.419 4.071 -2.605 1.00 0.00 C ATOM 928 C GLN A 60 7.251 4.912 -3.567 1.00 0.00 C ATOM 929 O GLN A 60 7.891 5.884 -3.164 1.00 0.00 O ATOM 930 CB GLN A 60 7.244 2.886 -2.101 1.00 0.00 C ATOM 931 CG GLN A 60 6.740 2.308 -0.788 1.00 0.00 C ATOM 932 CD GLN A 60 6.598 3.358 0.296 1.00 0.00 C ATOM 933 OE1 GLN A 60 5.557 4.004 0.419 1.00 0.00 O ATOM 934 NE2 GLN A 60 7.648 3.534 1.090 1.00 0.00 N ATOM 0 H GLN A 60 5.077 2.587 -3.235 1.00 0.00 H new ATOM 0 HA GLN A 60 6.136 4.695 -1.757 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.240 2.102 -2.859 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.280 3.202 -1.975 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.775 1.829 -0.953 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.427 1.532 -0.449 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.491 2.976 0.952 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.612 4.227 1.838 1.00 0.00 H new ATOM 943 N TYR A 61 7.238 4.533 -4.840 1.00 0.00 N ATOM 944 CA TYR A 61 7.993 5.252 -5.860 1.00 0.00 C ATOM 945 C TYR A 61 7.119 6.290 -6.556 1.00 0.00 C ATOM 946 O TYR A 61 7.588 7.366 -6.926 1.00 0.00 O ATOM 947 CB TYR A 61 8.560 4.272 -6.889 1.00 0.00 C ATOM 948 CG TYR A 61 9.974 3.828 -6.588 1.00 0.00 C ATOM 949 CD1 TYR A 61 11.063 4.590 -6.994 1.00 0.00 C ATOM 950 CD2 TYR A 61 10.221 2.648 -5.899 1.00 0.00 C ATOM 951 CE1 TYR A 61 12.356 4.188 -6.723 1.00 0.00 C ATOM 952 CE2 TYR A 61 11.511 2.239 -5.622 1.00 0.00 C ATOM 953 CZ TYR A 61 12.575 3.012 -6.036 1.00 0.00 C ATOM 954 OH TYR A 61 13.862 2.608 -5.762 1.00 0.00 O ATOM 0 H TYR A 61 6.713 3.732 -5.191 1.00 0.00 H new ATOM 0 HA TYR A 61 8.817 5.770 -5.369 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.915 3.395 -6.936 1.00 0.00 H new ATOM 0 HB3 TYR A 61 8.537 4.738 -7.874 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.895 5.512 -7.531 1.00 0.00 H new ATOM 0 HD2 TYR A 61 9.390 2.039 -5.574 1.00 0.00 H new ATOM 0 HE1 TYR A 61 13.191 4.791 -7.047 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.685 1.319 -5.084 1.00 0.00 H new ATOM 0 HH TYR A 61 13.841 1.760 -5.271 1.00 0.00 H new ATOM 964 N SER A 62 5.843 5.958 -6.731 1.00 0.00 N ATOM 965 CA SER A 62 4.902 6.859 -7.386 1.00 0.00 C ATOM 966 C SER A 62 4.320 7.855 -6.388 1.00 0.00 C ATOM 967 O SER A 62 3.660 7.471 -5.423 1.00 0.00 O ATOM 968 CB SER A 62 3.774 6.061 -8.044 1.00 0.00 C ATOM 969 OG SER A 62 2.791 5.689 -7.094 1.00 0.00 O ATOM 0 H SER A 62 5.438 5.072 -6.428 1.00 0.00 H new ATOM 0 HA SER A 62 5.442 7.413 -8.154 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.315 6.657 -8.833 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.184 5.168 -8.517 1.00 0.00 H new ATOM 0 HG SER A 62 2.714 6.389 -6.412 1.00 0.00 H new ATOM 975 N ASN A 63 4.570 9.138 -6.628 1.00 0.00 N ATOM 976 CA ASN A 63 4.073 10.192 -5.751 1.00 0.00 C ATOM 977 C ASN A 63 2.691 10.662 -6.195 1.00 0.00 C ATOM 978 O ASN A 63 1.767 10.757 -5.388 1.00 0.00 O ATOM 979 CB ASN A 63 5.045 11.373 -5.734 1.00 0.00 C ATOM 980 CG ASN A 63 6.376 11.017 -5.101 1.00 0.00 C ATOM 981 OD1 ASN A 63 7.360 10.763 -5.797 1.00 0.00 O ATOM 982 ND2 ASN A 63 6.413 10.997 -3.774 1.00 0.00 N ATOM 0 H ASN A 63 5.114 9.473 -7.423 1.00 0.00 H new ATOM 0 HA ASN A 63 3.992 9.783 -4.744 1.00 0.00 H new ATOM 0 HB2 ASN A 63 5.212 11.718 -6.755 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.596 12.202 -5.187 1.00 0.00 H new ATOM 0 HD21 ASN A 63 7.281 10.764 -3.291 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.573 11.214 -3.237 1.00 0.00 H new ATOM 989 N SER A 64 2.559 10.955 -7.485 1.00 0.00 N ATOM 990 CA SER A 64 1.291 11.419 -8.037 1.00 0.00 C ATOM 991 C SER A 64 0.115 10.747 -7.336 1.00 0.00 C ATOM 992 O SER A 64 -0.872 11.398 -6.993 1.00 0.00 O ATOM 993 CB SER A 64 1.232 11.138 -9.540 1.00 0.00 C ATOM 994 OG SER A 64 0.138 11.808 -10.141 1.00 0.00 O ATOM 0 H SER A 64 3.314 10.879 -8.167 1.00 0.00 H new ATOM 0 HA SER A 64 1.223 12.494 -7.872 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.162 11.459 -10.010 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.143 10.065 -9.709 1.00 0.00 H new ATOM 0 HG SER A 64 0.123 11.614 -11.101 1.00 0.00 H new ATOM 1000 N ARG A 65 0.227 9.439 -7.126 1.00 0.00 N ATOM 1001 CA ARG A 65 -0.826 8.678 -6.467 1.00 0.00 C ATOM 1002 C ARG A 65 -0.887 9.009 -4.979 1.00 0.00 C ATOM 1003 O ARG A 65 0.124 8.953 -4.279 1.00 0.00 O ATOM 1004 CB ARG A 65 -0.596 7.177 -6.658 1.00 0.00 C ATOM 1005 CG ARG A 65 -1.765 6.319 -6.203 1.00 0.00 C ATOM 1006 CD ARG A 65 -2.971 6.492 -7.114 1.00 0.00 C ATOM 1007 NE ARG A 65 -4.123 5.725 -6.648 1.00 0.00 N ATOM 1008 CZ ARG A 65 -5.375 5.992 -7.002 1.00 0.00 C ATOM 1009 NH1 ARG A 65 -5.635 7.001 -7.822 1.00 0.00 N ATOM 1010 NH2 ARG A 65 -6.370 5.248 -6.537 1.00 0.00 N ATOM 0 H ARG A 65 1.037 8.885 -7.403 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.777 8.954 -6.922 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -0.400 6.979 -7.712 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.297 6.882 -6.107 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.465 5.271 -6.190 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.038 6.586 -5.182 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.236 7.548 -7.168 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.710 6.177 -8.124 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.957 4.942 -6.016 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.873 7.575 -8.183 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.597 7.204 -8.092 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.174 4.470 -5.907 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.331 5.454 -6.809 1.00 0.00 H new ATOM 1024 N SER A 66 -2.079 9.353 -4.503 1.00 0.00 N ATOM 1025 CA SER A 66 -2.271 9.698 -3.099 1.00 0.00 C ATOM 1026 C SER A 66 -3.302 8.779 -2.450 1.00 0.00 C ATOM 1027 O SER A 66 -4.447 8.700 -2.894 1.00 0.00 O ATOM 1028 CB SER A 66 -2.715 11.156 -2.965 1.00 0.00 C ATOM 1029 OG SER A 66 -3.920 11.389 -3.674 1.00 0.00 O ATOM 0 H SER A 66 -2.926 9.400 -5.069 1.00 0.00 H new ATOM 0 HA SER A 66 -1.318 9.568 -2.585 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.855 11.401 -1.912 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.933 11.814 -3.344 1.00 0.00 H new ATOM 0 HG SER A 66 -4.470 10.578 -3.660 1.00 0.00 H new ATOM 1035 N GLY A 67 -2.886 8.085 -1.394 1.00 0.00 N ATOM 1036 CA GLY A 67 -3.785 7.181 -0.701 1.00 0.00 C ATOM 1037 C GLY A 67 -3.607 7.229 0.804 1.00 0.00 C ATOM 1038 O GLY A 67 -2.612 7.740 1.317 1.00 0.00 O ATOM 0 H GLY A 67 -1.944 8.133 -1.007 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.815 7.435 -0.950 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.614 6.163 -1.052 1.00 0.00 H new ATOM 1042 N PRO A 68 -4.591 6.686 1.537 1.00 0.00 N ATOM 1043 CA PRO A 68 -4.563 6.658 3.002 1.00 0.00 C ATOM 1044 C PRO A 68 -3.502 5.706 3.543 1.00 0.00 C ATOM 1045 O PRO A 68 -2.946 4.895 2.802 1.00 0.00 O ATOM 1046 CB PRO A 68 -5.963 6.165 3.375 1.00 0.00 C ATOM 1047 CG PRO A 68 -6.418 5.386 2.189 1.00 0.00 C ATOM 1048 CD PRO A 68 -5.806 6.059 0.992 1.00 0.00 C ATOM 0 HA PRO A 68 -4.313 7.632 3.423 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -5.939 5.544 4.271 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.634 6.998 3.583 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.098 4.347 2.259 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.506 5.380 2.120 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.570 5.343 0.205 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.480 6.798 0.558 1.00 0.00 H new ATOM 1056 N SER A 69 -3.225 5.809 4.839 1.00 0.00 N ATOM 1057 CA SER A 69 -2.228 4.959 5.479 1.00 0.00 C ATOM 1058 C SER A 69 -2.897 3.870 6.312 1.00 0.00 C ATOM 1059 O SER A 69 -3.914 4.107 6.962 1.00 0.00 O ATOM 1060 CB SER A 69 -1.304 5.798 6.363 1.00 0.00 C ATOM 1061 OG SER A 69 -0.099 5.105 6.643 1.00 0.00 O ATOM 0 H SER A 69 -3.678 6.473 5.467 1.00 0.00 H new ATOM 0 HA SER A 69 -1.637 4.482 4.697 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.078 6.741 5.866 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.812 6.043 7.296 1.00 0.00 H new ATOM 0 HG SER A 69 0.475 5.663 7.208 1.00 0.00 H new ATOM 1067 N SER A 70 -2.316 2.674 6.286 1.00 0.00 N ATOM 1068 CA SER A 70 -2.857 1.546 7.035 1.00 0.00 C ATOM 1069 C SER A 70 -1.955 1.195 8.215 1.00 0.00 C ATOM 1070 O SER A 70 -0.789 0.848 8.037 1.00 0.00 O ATOM 1071 CB SER A 70 -3.017 0.329 6.121 1.00 0.00 C ATOM 1072 OG SER A 70 -4.250 0.373 5.425 1.00 0.00 O ATOM 0 H SER A 70 -1.472 2.462 5.755 1.00 0.00 H new ATOM 0 HA SER A 70 -3.835 1.833 7.420 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.194 0.296 5.407 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.963 -0.584 6.713 1.00 0.00 H new ATOM 0 HG SER A 70 -4.327 -0.414 4.847 1.00 0.00 H new ATOM 1078 N GLY A 71 -2.507 1.289 9.421 1.00 0.00 N ATOM 1079 CA GLY A 71 -1.739 0.979 10.614 1.00 0.00 C ATOM 1080 C GLY A 71 -2.167 1.806 11.810 1.00 0.00 C ATOM 1081 O GLY A 71 -2.690 1.271 12.787 1.00 0.00 O ATOM 0 H GLY A 71 -3.471 1.574 9.594 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.851 -0.079 10.849 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.681 1.152 10.416 1.00 0.00 H new TER 1085 GLY A 71