USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 569 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 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.1) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 106:sc= 0.883 USER MOD Single : A 41 GLN : amide:sc= -0.0102 K(o=-0.01,f=-0.86) USER MOD Single : A 42 ASN : amide:sc=-0.00181 X(o=-0.0018,f=0) USER MOD Single : A 43 ASN : amide:sc= -3.79! C(o=-3.8!,f=-8.5!) USER MOD Single : A 46 ASN : amide:sc=-0.00252 X(o=-0.0025,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 50 SER OG : rot 180:sc= 0.00565 USER MOD Single : A 53 TYR OH : rot 172:sc= -2.81! USER MOD Single : A 56 ASN : amide:sc= -0.174 X(o=-0.17,f=-0.12) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc=-0.00718 X(o=-0.0072,f=0.12) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -22:sc= 0.19 USER MOD Single : A 63 TYR OH : rot 15:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.535 K(o=-0.54,f=-2.5!) USER MOD Single : A 66 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.102) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 42:sc= 0.802 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.868 11.817 9.123 1.00 0.00 N ATOM 2 CA GLY A 1 6.916 12.669 8.586 1.00 0.00 C ATOM 3 C GLY A 1 8.171 11.857 8.263 1.00 0.00 C ATOM 4 O GLY A 1 9.159 11.917 8.995 1.00 0.00 O ATOM 0 H1 GLY A 1 5.027 12.392 9.334 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.622 11.087 8.424 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.204 11.362 9.996 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.559 13.167 7.685 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.159 13.450 9.306 1.00 0.00 H new ATOM 8 N SER A 2 8.093 11.116 7.168 1.00 0.00 N ATOM 9 CA SER A 2 9.211 10.293 6.739 1.00 0.00 C ATOM 10 C SER A 2 9.453 9.171 7.752 1.00 0.00 C ATOM 11 O SER A 2 9.242 9.355 8.949 1.00 0.00 O ATOM 12 CB SER A 2 10.478 11.132 6.564 1.00 0.00 C ATOM 13 OG SER A 2 10.718 11.456 5.197 1.00 0.00 O ATOM 0 H SER A 2 7.272 11.068 6.564 1.00 0.00 H new ATOM 0 HA SER A 2 8.962 9.855 5.772 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.388 12.050 7.144 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.333 10.586 6.963 1.00 0.00 H new ATOM 0 HG SER A 2 11.534 11.993 5.127 1.00 0.00 H new ATOM 19 N SER A 3 9.893 8.034 7.233 1.00 0.00 N ATOM 20 CA SER A 3 10.167 6.883 8.077 1.00 0.00 C ATOM 21 C SER A 3 10.823 5.774 7.252 1.00 0.00 C ATOM 22 O SER A 3 10.196 5.206 6.359 1.00 0.00 O ATOM 23 CB SER A 3 8.886 6.368 8.737 1.00 0.00 C ATOM 24 OG SER A 3 9.161 5.591 9.900 1.00 0.00 O ATOM 0 H SER A 3 10.067 7.885 6.239 1.00 0.00 H new ATOM 0 HA SER A 3 10.852 7.192 8.867 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.252 7.213 9.007 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.327 5.765 8.022 1.00 0.00 H new ATOM 0 HG SER A 3 8.318 5.282 10.294 1.00 0.00 H new ATOM 30 N GLY A 4 12.076 5.499 7.582 1.00 0.00 N ATOM 31 CA GLY A 4 12.824 4.467 6.883 1.00 0.00 C ATOM 32 C GLY A 4 14.153 5.014 6.357 1.00 0.00 C ATOM 33 O GLY A 4 14.365 5.084 5.148 1.00 0.00 O ATOM 0 H GLY A 4 12.592 5.972 8.324 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.012 3.630 7.556 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.231 4.082 6.053 1.00 0.00 H new ATOM 37 N SER A 5 15.013 5.389 7.293 1.00 0.00 N ATOM 38 CA SER A 5 16.316 5.927 6.939 1.00 0.00 C ATOM 39 C SER A 5 16.945 5.087 5.826 1.00 0.00 C ATOM 40 O SER A 5 17.258 5.605 4.755 1.00 0.00 O ATOM 41 CB SER A 5 17.241 5.974 8.156 1.00 0.00 C ATOM 42 OG SER A 5 17.882 7.240 8.292 1.00 0.00 O ATOM 0 H SER A 5 14.833 5.331 8.295 1.00 0.00 H new ATOM 0 HA SER A 5 16.179 6.947 6.581 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.666 5.760 9.057 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.996 5.193 8.068 1.00 0.00 H new ATOM 0 HG SER A 5 18.462 7.230 9.082 1.00 0.00 H new ATOM 48 N SER A 6 17.111 3.806 6.118 1.00 0.00 N ATOM 49 CA SER A 6 17.697 2.889 5.155 1.00 0.00 C ATOM 50 C SER A 6 16.596 2.088 4.457 1.00 0.00 C ATOM 51 O SER A 6 16.490 2.110 3.231 1.00 0.00 O ATOM 52 CB SER A 6 18.694 1.944 5.829 1.00 0.00 C ATOM 53 OG SER A 6 20.002 2.504 5.891 1.00 0.00 O ATOM 0 H SER A 6 16.850 3.381 7.008 1.00 0.00 H new ATOM 0 HA SER A 6 18.238 3.475 4.412 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.350 1.714 6.837 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.728 1.002 5.281 1.00 0.00 H new ATOM 0 HG SER A 6 20.608 1.871 6.329 1.00 0.00 H new ATOM 59 N GLY A 7 15.804 1.401 5.267 1.00 0.00 N ATOM 60 CA GLY A 7 14.715 0.595 4.742 1.00 0.00 C ATOM 61 C GLY A 7 15.245 -0.535 3.858 1.00 0.00 C ATOM 62 O GLY A 7 15.842 -1.489 4.355 1.00 0.00 O ATOM 0 H GLY A 7 15.895 1.386 6.283 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.138 0.176 5.566 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.037 1.225 4.166 1.00 0.00 H new ATOM 66 N LYS A 8 15.009 -0.390 2.562 1.00 0.00 N ATOM 67 CA LYS A 8 15.455 -1.387 1.604 1.00 0.00 C ATOM 68 C LYS A 8 14.815 -2.735 1.941 1.00 0.00 C ATOM 69 O LYS A 8 15.171 -3.364 2.937 1.00 0.00 O ATOM 70 CB LYS A 8 16.984 -1.429 1.547 1.00 0.00 C ATOM 71 CG LYS A 8 17.474 -1.641 0.114 1.00 0.00 C ATOM 72 CD LYS A 8 18.698 -0.771 -0.181 1.00 0.00 C ATOM 73 CE LYS A 8 18.306 0.476 -0.976 1.00 0.00 C ATOM 74 NZ LYS A 8 19.496 1.312 -1.250 1.00 0.00 N ATOM 0 H LYS A 8 14.515 0.403 2.153 1.00 0.00 H new ATOM 0 HA LYS A 8 15.128 -1.122 0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 8 17.392 -0.498 1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 8 17.353 -2.233 2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 8 17.725 -2.691 -0.037 1.00 0.00 H new ATOM 0 HG3 LYS A 8 16.675 -1.400 -0.587 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.173 -0.476 0.755 1.00 0.00 H new ATOM 0 HD3 LYS A 8 19.432 -1.349 -0.742 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.836 0.183 -1.915 1.00 0.00 H new ATOM 0 HE3 LYS A 8 17.569 1.054 -0.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 19.212 2.154 -1.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 19.928 1.607 -0.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 20.186 0.763 -1.802 1.00 0.00 H new ATOM 88 N VAL A 9 13.882 -3.140 1.092 1.00 0.00 N ATOM 89 CA VAL A 9 13.189 -4.402 1.288 1.00 0.00 C ATOM 90 C VAL A 9 13.110 -5.147 -0.046 1.00 0.00 C ATOM 91 O VAL A 9 13.466 -4.600 -1.089 1.00 0.00 O ATOM 92 CB VAL A 9 11.816 -4.153 1.916 1.00 0.00 C ATOM 93 CG1 VAL A 9 11.954 -3.507 3.296 1.00 0.00 C ATOM 94 CG2 VAL A 9 10.938 -3.302 0.996 1.00 0.00 C ATOM 0 H VAL A 9 13.590 -2.617 0.267 1.00 0.00 H new ATOM 0 HA VAL A 9 13.739 -5.036 1.983 1.00 0.00 H new ATOM 0 HB VAL A 9 11.326 -5.118 2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.964 -3.341 3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 9 12.524 -4.166 3.951 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.473 -2.553 3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.968 -3.140 1.466 1.00 0.00 H new ATOM 0 HG22 VAL A 9 11.421 -2.341 0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.799 -3.818 0.046 1.00 0.00 H new ATOM 104 N SER A 10 12.641 -6.384 0.030 1.00 0.00 N ATOM 105 CA SER A 10 12.510 -7.210 -1.158 1.00 0.00 C ATOM 106 C SER A 10 11.037 -7.332 -1.551 1.00 0.00 C ATOM 107 O SER A 10 10.151 -7.033 -0.752 1.00 0.00 O ATOM 108 CB SER A 10 13.117 -8.596 -0.935 1.00 0.00 C ATOM 109 OG SER A 10 13.663 -8.735 0.374 1.00 0.00 O ATOM 0 H SER A 10 12.347 -6.834 0.897 1.00 0.00 H new ATOM 0 HA SER A 10 13.057 -6.730 -1.970 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.352 -9.356 -1.091 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.898 -8.773 -1.674 1.00 0.00 H new ATOM 0 HG SER A 10 14.039 -9.634 0.478 1.00 0.00 H new ATOM 115 N PRO A 11 10.815 -7.784 -2.814 1.00 0.00 N ATOM 116 CA PRO A 11 9.464 -7.950 -3.323 1.00 0.00 C ATOM 117 C PRO A 11 8.801 -9.193 -2.725 1.00 0.00 C ATOM 118 O PRO A 11 9.486 -10.112 -2.278 1.00 0.00 O ATOM 119 CB PRO A 11 9.619 -8.029 -4.833 1.00 0.00 C ATOM 120 CG PRO A 11 11.078 -8.370 -5.085 1.00 0.00 C ATOM 121 CD PRO A 11 11.840 -8.148 -3.788 1.00 0.00 C ATOM 0 HA PRO A 11 8.807 -7.126 -3.046 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.962 -8.790 -5.254 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.352 -7.082 -5.303 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.177 -9.405 -5.413 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.485 -7.743 -5.879 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.374 -9.048 -3.483 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.583 -7.358 -3.895 1.00 0.00 H new ATOM 129 N PRO A 12 7.441 -9.181 -2.735 1.00 0.00 N ATOM 130 CA PRO A 12 6.679 -10.295 -2.199 1.00 0.00 C ATOM 131 C PRO A 12 6.710 -11.490 -3.154 1.00 0.00 C ATOM 132 O PRO A 12 7.137 -11.363 -4.300 1.00 0.00 O ATOM 133 CB PRO A 12 5.279 -9.745 -1.981 1.00 0.00 C ATOM 134 CG PRO A 12 5.187 -8.488 -2.831 1.00 0.00 C ATOM 135 CD PRO A 12 6.597 -8.109 -3.255 1.00 0.00 C ATOM 0 HA PRO A 12 7.092 -10.677 -1.266 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.523 -10.473 -2.277 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.108 -9.518 -0.929 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.559 -8.663 -3.705 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.727 -7.677 -2.266 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.677 -8.032 -4.339 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.887 -7.142 -2.845 1.00 0.00 H new ATOM 143 N GLU A 13 6.251 -12.625 -2.646 1.00 0.00 N ATOM 144 CA GLU A 13 6.220 -13.842 -3.439 1.00 0.00 C ATOM 145 C GLU A 13 4.920 -13.920 -4.242 1.00 0.00 C ATOM 146 O GLU A 13 4.948 -14.062 -5.463 1.00 0.00 O ATOM 147 CB GLU A 13 6.394 -15.078 -2.554 1.00 0.00 C ATOM 148 CG GLU A 13 7.768 -15.715 -2.766 1.00 0.00 C ATOM 149 CD GLU A 13 7.909 -16.999 -1.945 1.00 0.00 C ATOM 150 OE1 GLU A 13 7.658 -16.921 -0.723 1.00 0.00 O ATOM 151 OE2 GLU A 13 8.265 -18.028 -2.558 1.00 0.00 O ATOM 0 H GLU A 13 5.898 -12.727 -1.695 1.00 0.00 H new ATOM 0 HA GLU A 13 7.055 -13.817 -4.139 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.276 -14.799 -1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.614 -15.805 -2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.910 -15.938 -3.823 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.548 -15.009 -2.481 1.00 0.00 H new ATOM 158 N ASP A 14 3.812 -13.823 -3.523 1.00 0.00 N ATOM 159 CA ASP A 14 2.504 -13.881 -4.153 1.00 0.00 C ATOM 160 C ASP A 14 2.437 -12.845 -5.277 1.00 0.00 C ATOM 161 O ASP A 14 2.399 -11.644 -5.016 1.00 0.00 O ATOM 162 CB ASP A 14 1.394 -13.562 -3.149 1.00 0.00 C ATOM 163 CG ASP A 14 0.637 -14.778 -2.612 1.00 0.00 C ATOM 164 OD1 ASP A 14 1.299 -15.617 -1.962 1.00 0.00 O ATOM 165 OD2 ASP A 14 -0.585 -14.843 -2.864 1.00 0.00 O ATOM 0 H ASP A 14 3.793 -13.705 -2.510 1.00 0.00 H new ATOM 0 HA ASP A 14 2.361 -14.890 -4.540 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.830 -13.024 -2.307 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.680 -12.888 -3.622 1.00 0.00 H new ATOM 170 N GLU A 15 2.425 -13.349 -6.502 1.00 0.00 N ATOM 171 CA GLU A 15 2.364 -12.482 -7.667 1.00 0.00 C ATOM 172 C GLU A 15 1.102 -11.618 -7.620 1.00 0.00 C ATOM 173 O GLU A 15 1.168 -10.405 -7.810 1.00 0.00 O ATOM 174 CB GLU A 15 2.423 -13.296 -8.960 1.00 0.00 C ATOM 175 CG GLU A 15 3.871 -13.530 -9.395 1.00 0.00 C ATOM 176 CD GLU A 15 3.930 -14.322 -10.703 1.00 0.00 C ATOM 177 OE1 GLU A 15 3.839 -13.670 -11.766 1.00 0.00 O ATOM 178 OE2 GLU A 15 4.064 -15.561 -10.611 1.00 0.00 O ATOM 0 H GLU A 15 2.456 -14.346 -6.713 1.00 0.00 H new ATOM 0 HA GLU A 15 3.233 -11.824 -7.651 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.924 -14.254 -8.814 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.883 -12.772 -9.749 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.375 -12.572 -9.523 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.406 -14.070 -8.614 1.00 0.00 H new ATOM 185 N GLU A 16 -0.019 -12.278 -7.365 1.00 0.00 N ATOM 186 CA GLU A 16 -1.294 -11.585 -7.291 1.00 0.00 C ATOM 187 C GLU A 16 -1.172 -10.340 -6.410 1.00 0.00 C ATOM 188 O GLU A 16 -1.875 -9.354 -6.623 1.00 0.00 O ATOM 189 CB GLU A 16 -2.394 -12.516 -6.775 1.00 0.00 C ATOM 190 CG GLU A 16 -3.048 -13.283 -7.926 1.00 0.00 C ATOM 191 CD GLU A 16 -4.509 -13.609 -7.608 1.00 0.00 C ATOM 192 OE1 GLU A 16 -5.278 -12.642 -7.418 1.00 0.00 O ATOM 193 OE2 GLU A 16 -4.823 -14.817 -7.561 1.00 0.00 O ATOM 0 H GLU A 16 -0.070 -13.284 -7.207 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.572 -11.268 -8.296 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.973 -13.220 -6.057 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.149 -11.935 -6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.994 -12.690 -8.839 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.498 -14.206 -8.112 1.00 0.00 H new ATOM 200 N ALA A 17 -0.274 -10.427 -5.440 1.00 0.00 N ATOM 201 CA ALA A 17 -0.050 -9.319 -4.526 1.00 0.00 C ATOM 202 C ALA A 17 0.776 -8.241 -5.231 1.00 0.00 C ATOM 203 O ALA A 17 0.373 -7.080 -5.281 1.00 0.00 O ATOM 204 CB ALA A 17 0.627 -9.835 -3.255 1.00 0.00 C ATOM 0 H ALA A 17 0.307 -11.247 -5.267 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.997 -8.867 -4.230 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.795 -9.004 -2.569 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.013 -10.576 -2.777 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.582 -10.293 -3.512 1.00 0.00 H new ATOM 210 N LYS A 18 1.915 -8.664 -5.758 1.00 0.00 N ATOM 211 CA LYS A 18 2.801 -7.749 -6.457 1.00 0.00 C ATOM 212 C LYS A 18 1.972 -6.830 -7.356 1.00 0.00 C ATOM 213 O LYS A 18 2.370 -5.699 -7.630 1.00 0.00 O ATOM 214 CB LYS A 18 3.889 -8.523 -7.206 1.00 0.00 C ATOM 215 CG LYS A 18 5.281 -8.004 -6.840 1.00 0.00 C ATOM 216 CD LYS A 18 6.356 -9.042 -7.167 1.00 0.00 C ATOM 217 CE LYS A 18 6.899 -8.842 -8.583 1.00 0.00 C ATOM 218 NZ LYS A 18 7.916 -9.870 -8.899 1.00 0.00 N ATOM 0 H LYS A 18 2.245 -9.628 -5.715 1.00 0.00 H new ATOM 0 HA LYS A 18 3.327 -7.111 -5.746 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.817 -9.584 -6.965 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.733 -8.429 -8.281 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.484 -7.081 -7.384 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.315 -7.762 -5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.171 -8.966 -6.447 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.939 -10.045 -7.072 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.082 -8.897 -9.303 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.338 -7.848 -8.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.274 -9.719 -9.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.703 -9.799 -8.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.487 -10.815 -8.833 1.00 0.00 H new ATOM 232 N ASN A 19 0.833 -7.350 -7.790 1.00 0.00 N ATOM 233 CA ASN A 19 -0.056 -6.590 -8.652 1.00 0.00 C ATOM 234 C ASN A 19 -1.050 -5.808 -7.791 1.00 0.00 C ATOM 235 O ASN A 19 -1.202 -4.598 -7.956 1.00 0.00 O ATOM 236 CB ASN A 19 -0.855 -7.516 -9.572 1.00 0.00 C ATOM 237 CG ASN A 19 -0.880 -6.977 -11.004 1.00 0.00 C ATOM 238 OD1 ASN A 19 -0.671 -5.802 -11.257 1.00 0.00 O ATOM 239 ND2 ASN A 19 -1.146 -7.900 -11.924 1.00 0.00 N ATOM 0 H ASN A 19 0.506 -8.288 -7.561 1.00 0.00 H new ATOM 0 HA ASN A 19 0.554 -5.918 -9.256 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.414 -8.513 -9.562 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.874 -7.614 -9.199 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.185 -7.641 -12.910 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.311 -8.867 -11.644 1.00 0.00 H new ATOM 246 N LEU A 20 -1.700 -6.530 -6.890 1.00 0.00 N ATOM 247 CA LEU A 20 -2.674 -5.918 -6.002 1.00 0.00 C ATOM 248 C LEU A 20 -2.022 -4.745 -5.267 1.00 0.00 C ATOM 249 O LEU A 20 -2.518 -3.621 -5.321 1.00 0.00 O ATOM 250 CB LEU A 20 -3.281 -6.968 -5.069 1.00 0.00 C ATOM 251 CG LEU A 20 -4.433 -7.793 -5.648 1.00 0.00 C ATOM 252 CD1 LEU A 20 -5.108 -8.630 -4.559 1.00 0.00 C ATOM 253 CD2 LEU A 20 -5.431 -6.899 -6.386 1.00 0.00 C ATOM 0 H LEU A 20 -1.571 -7.533 -6.756 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.509 -5.512 -6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.490 -7.651 -4.760 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.637 -6.465 -4.170 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.022 -8.488 -6.380 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.923 -9.207 -4.996 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.379 -9.309 -4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.504 -7.971 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.239 -7.510 -6.788 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.841 -6.164 -5.694 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.924 -6.385 -7.203 1.00 0.00 H new ATOM 265 N ALA A 21 -0.920 -5.048 -4.597 1.00 0.00 N ATOM 266 CA ALA A 21 -0.195 -4.033 -3.851 1.00 0.00 C ATOM 267 C ALA A 21 0.016 -2.806 -4.741 1.00 0.00 C ATOM 268 O ALA A 21 -0.453 -1.715 -4.422 1.00 0.00 O ATOM 269 CB ALA A 21 1.124 -4.617 -3.342 1.00 0.00 C ATOM 0 H ALA A 21 -0.511 -5.982 -4.555 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.768 -3.715 -2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.667 -3.855 -2.783 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.919 -5.467 -2.692 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.727 -4.945 -4.188 1.00 0.00 H new ATOM 275 N GLU A 22 0.722 -3.026 -5.841 1.00 0.00 N ATOM 276 CA GLU A 22 1.000 -1.953 -6.779 1.00 0.00 C ATOM 277 C GLU A 22 -0.281 -1.177 -7.094 1.00 0.00 C ATOM 278 O GLU A 22 -0.411 -0.011 -6.725 1.00 0.00 O ATOM 279 CB GLU A 22 1.641 -2.495 -8.058 1.00 0.00 C ATOM 280 CG GLU A 22 2.979 -1.806 -8.336 1.00 0.00 C ATOM 281 CD GLU A 22 3.071 -1.355 -9.795 1.00 0.00 C ATOM 282 OE1 GLU A 22 2.260 -0.482 -10.172 1.00 0.00 O ATOM 283 OE2 GLU A 22 3.951 -1.895 -10.501 1.00 0.00 O ATOM 0 H GLU A 22 1.110 -3.932 -6.103 1.00 0.00 H new ATOM 0 HA GLU A 22 1.711 -1.269 -6.317 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.794 -3.570 -7.965 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.967 -2.341 -8.900 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.092 -0.945 -7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.798 -2.489 -8.111 1.00 0.00 H new ATOM 290 N LYS A 23 -1.194 -1.856 -7.772 1.00 0.00 N ATOM 291 CA LYS A 23 -2.460 -1.245 -8.140 1.00 0.00 C ATOM 292 C LYS A 23 -2.966 -0.390 -6.977 1.00 0.00 C ATOM 293 O LYS A 23 -3.106 0.825 -7.110 1.00 0.00 O ATOM 294 CB LYS A 23 -3.456 -2.311 -8.599 1.00 0.00 C ATOM 295 CG LYS A 23 -3.546 -2.358 -10.126 1.00 0.00 C ATOM 296 CD LYS A 23 -3.717 -3.795 -10.621 1.00 0.00 C ATOM 297 CE LYS A 23 -5.158 -4.274 -10.429 1.00 0.00 C ATOM 298 NZ LYS A 23 -6.021 -3.772 -11.521 1.00 0.00 N ATOM 0 H LYS A 23 -1.083 -2.823 -8.076 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.328 -0.578 -8.992 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.151 -3.286 -8.219 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.440 -2.099 -8.180 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.386 -1.751 -10.463 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.645 -1.925 -10.560 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.448 -3.855 -11.676 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.036 -4.453 -10.081 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.185 -5.363 -10.407 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.538 -3.927 -9.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.995 -4.106 -11.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.008 -2.732 -11.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.667 -4.124 -12.433 1.00 0.00 H new ATOM 312 N LEU A 24 -3.226 -1.058 -5.863 1.00 0.00 N ATOM 313 CA LEU A 24 -3.714 -0.374 -4.677 1.00 0.00 C ATOM 314 C LEU A 24 -2.974 0.956 -4.520 1.00 0.00 C ATOM 315 O LEU A 24 -3.592 2.019 -4.540 1.00 0.00 O ATOM 316 CB LEU A 24 -3.609 -1.285 -3.452 1.00 0.00 C ATOM 317 CG LEU A 24 -4.847 -1.351 -2.557 1.00 0.00 C ATOM 318 CD1 LEU A 24 -5.022 -0.052 -1.767 1.00 0.00 C ATOM 319 CD2 LEU A 24 -6.095 -1.698 -3.371 1.00 0.00 C ATOM 0 H LEU A 24 -3.108 -2.066 -5.756 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.773 -0.139 -4.781 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.378 -2.294 -3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.765 -0.952 -2.847 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.702 -2.152 -1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.910 -0.125 -1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.146 0.113 -1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.135 0.782 -2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.961 -1.738 -2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.256 -0.936 -4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.959 -2.667 -3.850 1.00 0.00 H new ATOM 331 N ALA A 25 -1.662 0.852 -4.366 1.00 0.00 N ATOM 332 CA ALA A 25 -0.832 2.033 -4.205 1.00 0.00 C ATOM 333 C ALA A 25 -1.057 2.975 -5.391 1.00 0.00 C ATOM 334 O ALA A 25 -1.441 4.129 -5.207 1.00 0.00 O ATOM 335 CB ALA A 25 0.632 1.613 -4.064 1.00 0.00 C ATOM 0 H ALA A 25 -1.154 -0.032 -4.349 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.105 2.573 -3.298 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.255 2.499 -3.943 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.743 0.969 -3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.942 1.070 -4.957 1.00 0.00 H new ATOM 341 N ARG A 26 -0.808 2.447 -6.580 1.00 0.00 N ATOM 342 CA ARG A 26 -0.978 3.225 -7.795 1.00 0.00 C ATOM 343 C ARG A 26 -2.304 3.988 -7.755 1.00 0.00 C ATOM 344 O ARG A 26 -2.398 5.104 -8.264 1.00 0.00 O ATOM 345 CB ARG A 26 -0.952 2.327 -9.033 1.00 0.00 C ATOM 346 CG ARG A 26 0.247 2.656 -9.924 1.00 0.00 C ATOM 347 CD ARG A 26 -0.198 3.372 -11.201 1.00 0.00 C ATOM 348 NE ARG A 26 0.985 3.812 -11.973 1.00 0.00 N ATOM 349 CZ ARG A 26 0.970 4.811 -12.866 1.00 0.00 C ATOM 350 NH1 ARG A 26 -0.167 5.479 -13.105 1.00 0.00 N ATOM 351 NH2 ARG A 26 2.091 5.142 -13.520 1.00 0.00 N ATOM 0 H ARG A 26 -0.490 1.489 -6.728 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.150 3.931 -7.855 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.907 1.282 -8.727 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.875 2.454 -9.598 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.950 3.284 -9.377 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.775 1.738 -10.183 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -0.810 2.705 -11.807 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.818 4.232 -10.948 1.00 0.00 H new ATOM 0 HE ARG A 26 1.867 3.324 -11.816 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.021 5.227 -12.607 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -0.178 6.239 -13.785 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.956 4.634 -13.338 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.079 5.902 -14.200 1.00 0.00 H new ATOM 365 N PHE A 27 -3.296 3.356 -7.144 1.00 0.00 N ATOM 366 CA PHE A 27 -4.612 3.962 -7.031 1.00 0.00 C ATOM 367 C PHE A 27 -4.659 4.957 -5.870 1.00 0.00 C ATOM 368 O PHE A 27 -4.887 6.148 -6.077 1.00 0.00 O ATOM 369 CB PHE A 27 -5.603 2.829 -6.757 1.00 0.00 C ATOM 370 CG PHE A 27 -6.910 3.289 -6.108 1.00 0.00 C ATOM 371 CD1 PHE A 27 -7.657 4.260 -6.699 1.00 0.00 C ATOM 372 CD2 PHE A 27 -7.324 2.727 -4.941 1.00 0.00 C ATOM 373 CE1 PHE A 27 -8.870 4.687 -6.096 1.00 0.00 C ATOM 374 CE2 PHE A 27 -8.537 3.154 -4.339 1.00 0.00 C ATOM 375 CZ PHE A 27 -9.285 4.125 -4.929 1.00 0.00 C ATOM 0 H PHE A 27 -3.215 2.431 -6.722 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.854 4.502 -7.947 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.833 2.326 -7.696 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.127 2.093 -6.109 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.328 4.706 -7.626 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.730 1.956 -4.472 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.463 5.458 -6.564 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.866 2.708 -3.412 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.208 4.449 -4.471 1.00 0.00 H new ATOM 385 N ILE A 28 -4.440 4.432 -4.673 1.00 0.00 N ATOM 386 CA ILE A 28 -4.455 5.259 -3.479 1.00 0.00 C ATOM 387 C ILE A 28 -3.566 6.484 -3.701 1.00 0.00 C ATOM 388 O ILE A 28 -3.909 7.589 -3.284 1.00 0.00 O ATOM 389 CB ILE A 28 -4.069 4.433 -2.250 1.00 0.00 C ATOM 390 CG1 ILE A 28 -5.199 3.481 -1.853 1.00 0.00 C ATOM 391 CG2 ILE A 28 -3.649 5.339 -1.091 1.00 0.00 C ATOM 392 CD1 ILE A 28 -4.870 2.754 -0.547 1.00 0.00 C ATOM 0 H ILE A 28 -4.251 3.444 -4.505 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.462 5.627 -3.283 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.206 3.819 -2.508 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.127 4.041 -1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.362 2.753 -2.648 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.380 4.727 -0.230 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.791 5.940 -1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.477 5.996 -0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.689 2.084 -0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.954 2.176 -0.673 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.732 3.484 0.251 1.00 0.00 H new ATOM 404 N ALA A 29 -2.440 6.246 -4.357 1.00 0.00 N ATOM 405 CA ALA A 29 -1.498 7.316 -4.640 1.00 0.00 C ATOM 406 C ALA A 29 -2.181 8.375 -5.508 1.00 0.00 C ATOM 407 O ALA A 29 -1.834 9.553 -5.444 1.00 0.00 O ATOM 408 CB ALA A 29 -0.249 6.735 -5.304 1.00 0.00 C ATOM 0 H ALA A 29 -2.158 5.328 -4.701 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.180 7.801 -3.717 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.457 7.538 -5.516 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.215 6.011 -4.635 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.528 6.242 -6.235 1.00 0.00 H new ATOM 414 N ASP A 30 -3.140 7.917 -6.299 1.00 0.00 N ATOM 415 CA ASP A 30 -3.875 8.810 -7.178 1.00 0.00 C ATOM 416 C ASP A 30 -4.869 9.629 -6.352 1.00 0.00 C ATOM 417 O ASP A 30 -5.371 10.652 -6.814 1.00 0.00 O ATOM 418 CB ASP A 30 -4.666 8.023 -8.226 1.00 0.00 C ATOM 419 CG ASP A 30 -4.473 8.493 -9.669 1.00 0.00 C ATOM 420 OD1 ASP A 30 -4.088 9.670 -9.836 1.00 0.00 O ATOM 421 OD2 ASP A 30 -4.714 7.664 -10.573 1.00 0.00 O ATOM 0 H ASP A 30 -3.425 6.939 -6.349 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.155 9.457 -7.680 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.382 6.973 -8.161 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.726 8.082 -7.979 1.00 0.00 H new ATOM 426 N GLY A 31 -5.124 9.147 -5.144 1.00 0.00 N ATOM 427 CA GLY A 31 -6.049 9.822 -4.249 1.00 0.00 C ATOM 428 C GLY A 31 -5.297 10.584 -3.157 1.00 0.00 C ATOM 429 O GLY A 31 -4.512 11.485 -3.451 1.00 0.00 O ATOM 0 H GLY A 31 -4.706 8.297 -4.764 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.671 10.513 -4.817 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.718 9.092 -3.793 1.00 0.00 H new ATOM 433 N GLY A 32 -5.563 10.196 -1.918 1.00 0.00 N ATOM 434 CA GLY A 32 -4.921 10.831 -0.780 1.00 0.00 C ATOM 435 C GLY A 32 -5.398 10.211 0.535 1.00 0.00 C ATOM 436 O GLY A 32 -5.526 8.993 0.641 1.00 0.00 O ATOM 0 H GLY A 32 -6.215 9.449 -1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.839 10.727 -0.864 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.140 11.899 -0.783 1.00 0.00 H new ATOM 440 N PRO A 33 -5.655 11.102 1.530 1.00 0.00 N ATOM 441 CA PRO A 33 -6.115 10.655 2.834 1.00 0.00 C ATOM 442 C PRO A 33 -7.586 10.235 2.782 1.00 0.00 C ATOM 443 O PRO A 33 -8.143 9.790 3.784 1.00 0.00 O ATOM 444 CB PRO A 33 -5.865 11.831 3.764 1.00 0.00 C ATOM 445 CG PRO A 33 -5.709 13.047 2.865 1.00 0.00 C ATOM 446 CD PRO A 33 -5.515 12.552 1.441 1.00 0.00 C ATOM 0 HA PRO A 33 -5.587 9.768 3.185 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.694 11.963 4.459 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -4.969 11.671 4.364 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -6.590 13.686 2.930 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.856 13.648 3.180 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.258 12.981 0.768 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.535 12.832 1.054 1.00 0.00 H new ATOM 454 N GLU A 34 -8.172 10.393 1.605 1.00 0.00 N ATOM 455 CA GLU A 34 -9.567 10.036 1.409 1.00 0.00 C ATOM 456 C GLU A 34 -9.678 8.618 0.846 1.00 0.00 C ATOM 457 O GLU A 34 -10.419 7.791 1.377 1.00 0.00 O ATOM 458 CB GLU A 34 -10.268 11.044 0.497 1.00 0.00 C ATOM 459 CG GLU A 34 -11.771 11.086 0.780 1.00 0.00 C ATOM 460 CD GLU A 34 -12.423 12.293 0.102 1.00 0.00 C ATOM 461 OE1 GLU A 34 -11.886 13.407 0.288 1.00 0.00 O ATOM 462 OE2 GLU A 34 -13.443 12.075 -0.586 1.00 0.00 O ATOM 0 H GLU A 34 -7.706 10.764 0.777 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.068 10.062 2.377 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.838 12.035 0.646 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.098 10.776 -0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.238 10.168 0.423 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.941 11.133 1.856 1.00 0.00 H new ATOM 469 N VAL A 35 -8.930 8.379 -0.221 1.00 0.00 N ATOM 470 CA VAL A 35 -8.936 7.074 -0.862 1.00 0.00 C ATOM 471 C VAL A 35 -8.494 6.013 0.148 1.00 0.00 C ATOM 472 O VAL A 35 -9.058 4.921 0.192 1.00 0.00 O ATOM 473 CB VAL A 35 -8.062 7.105 -2.118 1.00 0.00 C ATOM 474 CG1 VAL A 35 -6.577 7.043 -1.754 1.00 0.00 C ATOM 475 CG2 VAL A 35 -8.439 5.973 -3.075 1.00 0.00 C ATOM 0 H VAL A 35 -8.316 9.066 -0.658 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.943 6.813 -1.189 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.243 8.051 -2.629 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.978 7.066 -2.664 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.320 7.898 -1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.374 6.121 -1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.803 6.017 -3.959 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.301 5.014 -2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.482 6.080 -3.372 1.00 0.00 H new ATOM 485 N GLU A 36 -7.491 6.372 0.935 1.00 0.00 N ATOM 486 CA GLU A 36 -6.967 5.464 1.941 1.00 0.00 C ATOM 487 C GLU A 36 -8.057 5.112 2.957 1.00 0.00 C ATOM 488 O GLU A 36 -7.902 4.176 3.739 1.00 0.00 O ATOM 489 CB GLU A 36 -5.743 6.062 2.636 1.00 0.00 C ATOM 490 CG GLU A 36 -6.141 6.782 3.926 1.00 0.00 C ATOM 491 CD GLU A 36 -4.922 7.414 4.601 1.00 0.00 C ATOM 492 OE1 GLU A 36 -3.959 6.658 4.856 1.00 0.00 O ATOM 493 OE2 GLU A 36 -4.979 8.638 4.846 1.00 0.00 O ATOM 0 H GLU A 36 -7.027 7.280 0.896 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.649 4.547 1.444 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.027 5.272 2.863 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.244 6.761 1.964 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.878 7.553 3.703 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.614 6.077 4.609 1.00 0.00 H new ATOM 500 N THR A 37 -9.134 5.883 2.912 1.00 0.00 N ATOM 501 CA THR A 37 -10.248 5.664 3.818 1.00 0.00 C ATOM 502 C THR A 37 -11.285 4.741 3.175 1.00 0.00 C ATOM 503 O THR A 37 -11.640 3.709 3.744 1.00 0.00 O ATOM 504 CB THR A 37 -10.813 7.031 4.211 1.00 0.00 C ATOM 505 OG1 THR A 37 -9.680 7.750 4.691 1.00 0.00 O ATOM 506 CG2 THR A 37 -11.745 6.953 5.422 1.00 0.00 C ATOM 0 H THR A 37 -9.258 6.660 2.262 1.00 0.00 H new ATOM 0 HA THR A 37 -9.925 5.156 4.726 1.00 0.00 H new ATOM 0 HB THR A 37 -11.352 7.458 3.365 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.414 8.421 4.029 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.118 7.949 5.659 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.584 6.296 5.193 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.197 6.558 6.278 1.00 0.00 H new ATOM 514 N ILE A 38 -11.742 5.144 1.999 1.00 0.00 N ATOM 515 CA ILE A 38 -12.731 4.366 1.273 1.00 0.00 C ATOM 516 C ILE A 38 -12.077 3.089 0.740 1.00 0.00 C ATOM 517 O ILE A 38 -12.636 2.001 0.869 1.00 0.00 O ATOM 518 CB ILE A 38 -13.392 5.217 0.188 1.00 0.00 C ATOM 519 CG1 ILE A 38 -14.117 6.418 0.799 1.00 0.00 C ATOM 520 CG2 ILE A 38 -14.321 4.370 -0.684 1.00 0.00 C ATOM 521 CD1 ILE A 38 -13.214 7.653 0.816 1.00 0.00 C ATOM 0 H ILE A 38 -11.445 6.000 1.530 1.00 0.00 H new ATOM 0 HA ILE A 38 -13.537 4.059 1.939 1.00 0.00 H new ATOM 0 HB ILE A 38 -12.610 5.609 -0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -15.020 6.631 0.227 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.432 6.179 1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -14.778 5.000 -1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -13.747 3.577 -1.164 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -15.101 3.929 -0.063 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -13.754 8.492 1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -12.323 7.444 1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -12.921 7.904 -0.204 1.00 0.00 H new ATOM 533 N ALA A 39 -10.903 3.264 0.152 1.00 0.00 N ATOM 534 CA ALA A 39 -10.168 2.140 -0.401 1.00 0.00 C ATOM 535 C ALA A 39 -9.949 1.092 0.692 1.00 0.00 C ATOM 536 O ALA A 39 -10.122 -0.103 0.454 1.00 0.00 O ATOM 537 CB ALA A 39 -8.852 2.637 -1.003 1.00 0.00 C ATOM 0 H ALA A 39 -10.442 4.168 0.047 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.736 1.667 -1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.300 1.794 -1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.063 3.357 -1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.254 3.115 -0.227 1.00 0.00 H new ATOM 543 N LEU A 40 -9.573 1.577 1.866 1.00 0.00 N ATOM 544 CA LEU A 40 -9.330 0.696 2.996 1.00 0.00 C ATOM 545 C LEU A 40 -10.659 0.108 3.475 1.00 0.00 C ATOM 546 O LEU A 40 -10.801 -1.109 3.580 1.00 0.00 O ATOM 547 CB LEU A 40 -8.553 1.431 4.090 1.00 0.00 C ATOM 548 CG LEU A 40 -7.076 1.701 3.798 1.00 0.00 C ATOM 549 CD1 LEU A 40 -6.411 2.434 4.965 1.00 0.00 C ATOM 550 CD2 LEU A 40 -6.342 0.406 3.442 1.00 0.00 C ATOM 0 H LEU A 40 -9.431 2.568 2.059 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.700 -0.142 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.046 2.385 4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.621 0.849 5.009 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.014 2.356 2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.362 2.613 4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.914 3.387 5.130 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.483 1.825 5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.294 0.626 3.239 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.411 -0.293 4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.797 -0.039 2.557 1.00 0.00 H new ATOM 562 N GLN A 41 -11.598 1.000 3.752 1.00 0.00 N ATOM 563 CA GLN A 41 -12.911 0.585 4.217 1.00 0.00 C ATOM 564 C GLN A 41 -13.426 -0.584 3.376 1.00 0.00 C ATOM 565 O GLN A 41 -14.162 -1.435 3.874 1.00 0.00 O ATOM 566 CB GLN A 41 -13.896 1.755 4.193 1.00 0.00 C ATOM 567 CG GLN A 41 -14.167 2.273 5.607 1.00 0.00 C ATOM 568 CD GLN A 41 -15.293 3.309 5.605 1.00 0.00 C ATOM 569 OE1 GLN A 41 -16.202 3.274 4.792 1.00 0.00 O ATOM 570 NE2 GLN A 41 -15.182 4.231 6.557 1.00 0.00 N ATOM 0 H GLN A 41 -11.476 2.009 3.663 1.00 0.00 H new ATOM 0 HA GLN A 41 -12.821 0.251 5.251 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -13.495 2.560 3.578 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -14.832 1.438 3.733 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -14.435 1.441 6.258 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -13.260 2.718 6.015 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -14.395 4.202 7.206 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -15.884 4.967 6.639 1.00 0.00 H new ATOM 579 N ASN A 42 -13.020 -0.589 2.115 1.00 0.00 N ATOM 580 CA ASN A 42 -13.431 -1.640 1.200 1.00 0.00 C ATOM 581 C ASN A 42 -12.569 -2.882 1.435 1.00 0.00 C ATOM 582 O ASN A 42 -13.091 -3.962 1.706 1.00 0.00 O ATOM 583 CB ASN A 42 -13.248 -1.206 -0.256 1.00 0.00 C ATOM 584 CG ASN A 42 -14.591 -1.159 -0.987 1.00 0.00 C ATOM 585 OD1 ASN A 42 -15.279 -2.155 -1.139 1.00 0.00 O ATOM 586 ND2 ASN A 42 -14.923 0.050 -1.431 1.00 0.00 N ATOM 0 H ASN A 42 -12.410 0.119 1.705 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.484 -1.853 1.383 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.777 -0.224 -0.290 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.577 -1.899 -0.764 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.800 0.186 -1.933 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.300 0.841 -1.269 1.00 0.00 H new ATOM 593 N ASN A 43 -11.264 -2.686 1.323 1.00 0.00 N ATOM 594 CA ASN A 43 -10.324 -3.777 1.521 1.00 0.00 C ATOM 595 C ASN A 43 -10.637 -4.482 2.842 1.00 0.00 C ATOM 596 O ASN A 43 -10.481 -5.697 2.954 1.00 0.00 O ATOM 597 CB ASN A 43 -8.886 -3.260 1.590 1.00 0.00 C ATOM 598 CG ASN A 43 -8.607 -2.263 0.463 1.00 0.00 C ATOM 599 OD1 ASN A 43 -8.008 -1.218 0.658 1.00 0.00 O ATOM 600 ND2 ASN A 43 -9.073 -2.642 -0.723 1.00 0.00 N ATOM 0 H ASN A 43 -10.835 -1.789 1.098 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.421 -4.462 0.678 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.714 -2.782 2.554 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.191 -4.097 1.520 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.937 -2.045 -1.539 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.566 -3.530 -0.817 1.00 0.00 H new ATOM 607 N ARG A 44 -11.074 -3.689 3.810 1.00 0.00 N ATOM 608 CA ARG A 44 -11.410 -4.221 5.119 1.00 0.00 C ATOM 609 C ARG A 44 -12.327 -5.438 4.977 1.00 0.00 C ATOM 610 O ARG A 44 -12.166 -6.428 5.689 1.00 0.00 O ATOM 611 CB ARG A 44 -12.105 -3.165 5.981 1.00 0.00 C ATOM 612 CG ARG A 44 -11.350 -2.947 7.294 1.00 0.00 C ATOM 613 CD ARG A 44 -12.322 -2.796 8.466 1.00 0.00 C ATOM 614 NE ARG A 44 -12.227 -3.974 9.358 1.00 0.00 N ATOM 615 CZ ARG A 44 -12.718 -4.014 10.604 1.00 0.00 C ATOM 616 NH1 ARG A 44 -13.339 -2.942 11.114 1.00 0.00 N ATOM 617 NH2 ARG A 44 -12.586 -5.126 11.340 1.00 0.00 N ATOM 0 H ARG A 44 -11.203 -2.682 3.713 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.481 -4.516 5.606 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.167 -2.225 5.432 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.127 -3.478 6.193 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -10.681 -3.788 7.477 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -10.727 -2.056 7.216 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.094 -1.888 9.024 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.341 -2.693 8.093 1.00 0.00 H new ATOM 0 HE ARG A 44 -11.759 -4.807 9.002 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -13.438 -2.095 10.554 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -13.713 -2.972 12.063 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -12.112 -5.941 10.952 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -12.960 -5.157 12.289 1.00 0.00 H new ATOM 631 N GLU A 45 -13.270 -5.324 4.054 1.00 0.00 N ATOM 632 CA GLU A 45 -14.213 -6.402 3.810 1.00 0.00 C ATOM 633 C GLU A 45 -13.525 -7.552 3.072 1.00 0.00 C ATOM 634 O GLU A 45 -13.664 -8.712 3.456 1.00 0.00 O ATOM 635 CB GLU A 45 -15.430 -5.900 3.030 1.00 0.00 C ATOM 636 CG GLU A 45 -16.591 -5.579 3.973 1.00 0.00 C ATOM 637 CD GLU A 45 -17.746 -4.919 3.216 1.00 0.00 C ATOM 638 OE1 GLU A 45 -17.665 -3.687 3.019 1.00 0.00 O ATOM 639 OE2 GLU A 45 -18.683 -5.661 2.851 1.00 0.00 O ATOM 0 H GLU A 45 -13.401 -4.501 3.466 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.567 -6.773 4.772 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.161 -5.009 2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.741 -6.656 2.308 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.940 -6.495 4.450 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.247 -4.917 4.767 1.00 0.00 H new ATOM 646 N ASN A 46 -12.799 -7.190 2.024 1.00 0.00 N ATOM 647 CA ASN A 46 -12.089 -8.178 1.229 1.00 0.00 C ATOM 648 C ASN A 46 -10.959 -8.783 2.065 1.00 0.00 C ATOM 649 O ASN A 46 -10.326 -8.086 2.857 1.00 0.00 O ATOM 650 CB ASN A 46 -11.467 -7.539 -0.015 1.00 0.00 C ATOM 651 CG ASN A 46 -12.549 -7.088 -0.998 1.00 0.00 C ATOM 652 OD1 ASN A 46 -13.361 -7.867 -1.469 1.00 0.00 O ATOM 653 ND2 ASN A 46 -12.515 -5.789 -1.280 1.00 0.00 N ATOM 0 H ASN A 46 -12.687 -6.227 1.707 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.804 -8.942 0.924 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.857 -6.684 0.277 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.803 -8.253 -0.502 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.196 -5.389 -1.926 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.808 -5.192 -0.850 1.00 0.00 H new ATOM 660 N GLN A 47 -10.740 -10.073 1.859 1.00 0.00 N ATOM 661 CA GLN A 47 -9.697 -10.780 2.584 1.00 0.00 C ATOM 662 C GLN A 47 -8.398 -10.783 1.776 1.00 0.00 C ATOM 663 O GLN A 47 -7.308 -10.756 2.346 1.00 0.00 O ATOM 664 CB GLN A 47 -10.135 -12.206 2.923 1.00 0.00 C ATOM 665 CG GLN A 47 -9.921 -12.507 4.408 1.00 0.00 C ATOM 666 CD GLN A 47 -10.476 -13.885 4.774 1.00 0.00 C ATOM 667 OE1 GLN A 47 -11.248 -14.485 4.044 1.00 0.00 O ATOM 668 NE2 GLN A 47 -10.040 -14.351 5.941 1.00 0.00 N ATOM 0 H GLN A 47 -11.267 -10.647 1.201 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.517 -10.258 3.523 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -11.187 -12.337 2.670 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.571 -12.917 2.319 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.857 -12.466 4.641 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.410 -11.742 5.012 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.394 -13.796 6.502 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.352 -15.263 6.274 1.00 0.00 H new ATOM 677 N ALA A 48 -8.556 -10.815 0.461 1.00 0.00 N ATOM 678 CA ALA A 48 -7.410 -10.822 -0.431 1.00 0.00 C ATOM 679 C ALA A 48 -6.449 -9.701 -0.028 1.00 0.00 C ATOM 680 O ALA A 48 -5.247 -9.927 0.105 1.00 0.00 O ATOM 681 CB ALA A 48 -7.887 -10.687 -1.878 1.00 0.00 C ATOM 0 H ALA A 48 -9.461 -10.836 -0.008 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.869 -11.765 -0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.026 -10.692 -2.547 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.543 -11.522 -2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.432 -9.750 -1.996 1.00 0.00 H new ATOM 687 N PHE A 49 -7.014 -8.517 0.156 1.00 0.00 N ATOM 688 CA PHE A 49 -6.223 -7.361 0.541 1.00 0.00 C ATOM 689 C PHE A 49 -5.754 -7.477 1.993 1.00 0.00 C ATOM 690 O PHE A 49 -6.150 -6.680 2.843 1.00 0.00 O ATOM 691 CB PHE A 49 -7.127 -6.135 0.406 1.00 0.00 C ATOM 692 CG PHE A 49 -7.338 -5.673 -1.037 1.00 0.00 C ATOM 693 CD1 PHE A 49 -6.266 -5.365 -1.816 1.00 0.00 C ATOM 694 CD2 PHE A 49 -8.596 -5.569 -1.541 1.00 0.00 C ATOM 695 CE1 PHE A 49 -6.461 -4.936 -3.155 1.00 0.00 C ATOM 696 CE2 PHE A 49 -8.792 -5.140 -2.881 1.00 0.00 C ATOM 697 CZ PHE A 49 -7.720 -4.833 -3.659 1.00 0.00 C ATOM 0 H PHE A 49 -8.011 -8.333 0.045 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.340 -7.287 -0.093 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.097 -6.361 0.850 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.697 -5.314 0.980 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.266 -5.447 -1.416 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -9.447 -5.813 -0.922 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.610 -4.691 -3.773 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -9.792 -5.058 -3.281 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.868 -4.507 -4.678 1.00 0.00 H new ATOM 707 N SER A 50 -4.917 -8.476 2.233 1.00 0.00 N ATOM 708 CA SER A 50 -4.391 -8.707 3.568 1.00 0.00 C ATOM 709 C SER A 50 -3.019 -8.044 3.711 1.00 0.00 C ATOM 710 O SER A 50 -2.649 -7.604 4.798 1.00 0.00 O ATOM 711 CB SER A 50 -4.291 -10.204 3.870 1.00 0.00 C ATOM 712 OG SER A 50 -3.726 -10.931 2.782 1.00 0.00 O ATOM 0 H SER A 50 -4.590 -9.134 1.526 1.00 0.00 H new ATOM 0 HA SER A 50 -5.079 -8.264 4.288 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.682 -10.354 4.762 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.283 -10.596 4.092 1.00 0.00 H new ATOM 0 HG SER A 50 -3.678 -11.882 3.014 1.00 0.00 H new ATOM 718 N PHE A 51 -2.303 -7.993 2.597 1.00 0.00 N ATOM 719 CA PHE A 51 -0.981 -7.391 2.585 1.00 0.00 C ATOM 720 C PHE A 51 -1.039 -5.930 3.034 1.00 0.00 C ATOM 721 O PHE A 51 -0.015 -5.339 3.372 1.00 0.00 O ATOM 722 CB PHE A 51 -0.476 -7.449 1.141 1.00 0.00 C ATOM 723 CG PHE A 51 -1.237 -6.533 0.180 1.00 0.00 C ATOM 724 CD1 PHE A 51 -0.904 -5.218 0.087 1.00 0.00 C ATOM 725 CD2 PHE A 51 -2.245 -7.035 -0.583 1.00 0.00 C ATOM 726 CE1 PHE A 51 -1.610 -4.368 -0.805 1.00 0.00 C ATOM 727 CE2 PHE A 51 -2.950 -6.185 -1.476 1.00 0.00 C ATOM 728 CZ PHE A 51 -2.618 -4.870 -1.568 1.00 0.00 C ATOM 0 H PHE A 51 -2.614 -8.359 1.697 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.322 -7.927 3.269 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.580 -7.179 1.125 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.548 -8.476 0.782 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -0.102 -4.820 0.692 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.509 -8.080 -0.510 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.347 -3.323 -0.878 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.750 -6.583 -2.082 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.155 -4.224 -2.247 1.00 0.00 H new ATOM 738 N LEU A 52 -2.249 -5.388 3.022 1.00 0.00 N ATOM 739 CA LEU A 52 -2.454 -4.007 3.424 1.00 0.00 C ATOM 740 C LEU A 52 -2.307 -3.895 4.943 1.00 0.00 C ATOM 741 O LEU A 52 -1.765 -2.913 5.447 1.00 0.00 O ATOM 742 CB LEU A 52 -3.794 -3.490 2.897 1.00 0.00 C ATOM 743 CG LEU A 52 -3.842 -3.154 1.405 1.00 0.00 C ATOM 744 CD1 LEU A 52 -5.287 -3.086 0.905 1.00 0.00 C ATOM 745 CD2 LEU A 52 -3.072 -1.866 1.107 1.00 0.00 C ATOM 0 H LEU A 52 -3.097 -5.881 2.740 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.693 -3.364 2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.558 -4.239 3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.063 -2.596 3.460 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.349 -3.958 0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.293 -2.846 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.772 -4.049 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.826 -2.314 1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.122 -1.651 0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.514 -1.040 1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.030 -1.988 1.404 1.00 0.00 H new ATOM 757 N TYR A 53 -2.799 -4.916 5.630 1.00 0.00 N ATOM 758 CA TYR A 53 -2.729 -4.944 7.081 1.00 0.00 C ATOM 759 C TYR A 53 -1.467 -5.669 7.555 1.00 0.00 C ATOM 760 O TYR A 53 -0.616 -5.075 8.214 1.00 0.00 O ATOM 761 CB TYR A 53 -3.958 -5.727 7.548 1.00 0.00 C ATOM 762 CG TYR A 53 -5.208 -5.486 6.699 1.00 0.00 C ATOM 763 CD1 TYR A 53 -5.678 -4.202 6.512 1.00 0.00 C ATOM 764 CD2 TYR A 53 -5.865 -6.552 6.120 1.00 0.00 C ATOM 765 CE1 TYR A 53 -6.855 -3.975 5.713 1.00 0.00 C ATOM 766 CE2 TYR A 53 -7.041 -6.325 5.321 1.00 0.00 C ATOM 767 CZ TYR A 53 -7.478 -5.048 5.157 1.00 0.00 C ATOM 768 OH TYR A 53 -8.589 -4.834 4.403 1.00 0.00 O ATOM 0 H TYR A 53 -3.247 -5.729 5.209 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.701 -3.931 7.483 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.724 -6.791 7.537 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.176 -5.459 8.582 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.163 -3.367 6.965 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.497 -7.557 6.266 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.234 -2.975 5.559 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.564 -7.151 4.862 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.854 -5.670 3.966 1.00 0.00 H new ATOM 778 N ASP A 54 -1.388 -6.944 7.201 1.00 0.00 N ATOM 779 CA ASP A 54 -0.245 -7.756 7.582 1.00 0.00 C ATOM 780 C ASP A 54 1.042 -7.062 7.130 1.00 0.00 C ATOM 781 O ASP A 54 1.337 -7.009 5.938 1.00 0.00 O ATOM 782 CB ASP A 54 -0.299 -9.131 6.914 1.00 0.00 C ATOM 783 CG ASP A 54 0.461 -10.238 7.648 1.00 0.00 C ATOM 784 OD1 ASP A 54 0.684 -10.061 8.865 1.00 0.00 O ATOM 785 OD2 ASP A 54 0.802 -11.235 6.975 1.00 0.00 O ATOM 0 H ASP A 54 -2.097 -7.434 6.655 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.266 -7.880 8.665 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.343 -9.430 6.817 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.102 -9.044 5.904 1.00 0.00 H new ATOM 790 N PRO A 55 1.792 -6.533 8.134 1.00 0.00 N ATOM 791 CA PRO A 55 3.040 -5.845 7.852 1.00 0.00 C ATOM 792 C PRO A 55 4.148 -6.840 7.501 1.00 0.00 C ATOM 793 O PRO A 55 4.826 -6.687 6.486 1.00 0.00 O ATOM 794 CB PRO A 55 3.339 -5.042 9.108 1.00 0.00 C ATOM 795 CG PRO A 55 2.501 -5.668 10.212 1.00 0.00 C ATOM 796 CD PRO A 55 1.473 -6.577 9.558 1.00 0.00 C ATOM 0 HA PRO A 55 2.972 -5.190 6.983 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.400 -5.081 9.353 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.082 -3.992 8.971 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.133 -6.236 10.895 1.00 0.00 H new ATOM 0 HG3 PRO A 55 2.007 -4.895 10.801 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.538 -7.593 9.947 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.458 -6.228 9.747 1.00 0.00 H new ATOM 804 N ASN A 56 4.298 -7.837 8.361 1.00 0.00 N ATOM 805 CA ASN A 56 5.312 -8.857 8.154 1.00 0.00 C ATOM 806 C ASN A 56 5.236 -9.362 6.712 1.00 0.00 C ATOM 807 O ASN A 56 6.227 -9.841 6.165 1.00 0.00 O ATOM 808 CB ASN A 56 5.090 -10.051 9.085 1.00 0.00 C ATOM 809 CG ASN A 56 5.020 -9.601 10.546 1.00 0.00 C ATOM 810 OD1 ASN A 56 6.019 -9.306 11.180 1.00 0.00 O ATOM 811 ND2 ASN A 56 3.786 -9.566 11.042 1.00 0.00 N ATOM 0 H ASN A 56 3.734 -7.960 9.202 1.00 0.00 H new ATOM 0 HA ASN A 56 6.285 -8.412 8.363 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.166 -10.562 8.813 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.900 -10.770 8.960 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.633 -9.279 12.009 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.993 -9.826 10.456 1.00 0.00 H new ATOM 818 N SER A 57 4.049 -9.236 6.137 1.00 0.00 N ATOM 819 CA SER A 57 3.830 -9.673 4.768 1.00 0.00 C ATOM 820 C SER A 57 4.528 -8.720 3.796 1.00 0.00 C ATOM 821 O SER A 57 4.123 -7.567 3.653 1.00 0.00 O ATOM 822 CB SER A 57 2.336 -9.756 4.449 1.00 0.00 C ATOM 823 OG SER A 57 2.085 -10.487 3.252 1.00 0.00 O ATOM 0 H SER A 57 3.229 -8.838 6.594 1.00 0.00 H new ATOM 0 HA SER A 57 4.254 -10.671 4.656 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.814 -10.231 5.280 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.930 -8.749 4.351 1.00 0.00 H new ATOM 0 HG SER A 57 1.120 -10.519 3.084 1.00 0.00 H new ATOM 829 N GLN A 58 5.565 -9.236 3.154 1.00 0.00 N ATOM 830 CA GLN A 58 6.323 -8.445 2.200 1.00 0.00 C ATOM 831 C GLN A 58 5.379 -7.613 1.330 1.00 0.00 C ATOM 832 O GLN A 58 5.746 -6.537 0.862 1.00 0.00 O ATOM 833 CB GLN A 58 7.219 -9.337 1.337 1.00 0.00 C ATOM 834 CG GLN A 58 8.657 -9.340 1.861 1.00 0.00 C ATOM 835 CD GLN A 58 9.279 -10.733 1.746 1.00 0.00 C ATOM 836 OE1 GLN A 58 9.468 -11.269 0.666 1.00 0.00 O ATOM 837 NE2 GLN A 58 9.587 -11.286 2.915 1.00 0.00 N ATOM 0 H GLN A 58 5.898 -10.192 3.276 1.00 0.00 H new ATOM 0 HA GLN A 58 6.969 -7.764 2.755 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.828 -10.354 1.331 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.205 -8.984 0.306 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.255 -8.623 1.298 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.669 -9.017 2.902 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.402 -10.782 3.782 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.008 -12.214 2.945 1.00 0.00 H new ATOM 846 N GLY A 59 4.179 -8.143 1.141 1.00 0.00 N ATOM 847 CA GLY A 59 3.179 -7.463 0.336 1.00 0.00 C ATOM 848 C GLY A 59 2.962 -6.030 0.828 1.00 0.00 C ATOM 849 O GLY A 59 2.659 -5.138 0.037 1.00 0.00 O ATOM 0 H GLY A 59 3.877 -9.036 1.532 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.494 -7.449 -0.707 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.238 -8.012 0.378 1.00 0.00 H new ATOM 853 N TYR A 60 3.125 -5.854 2.131 1.00 0.00 N ATOM 854 CA TYR A 60 2.951 -4.545 2.737 1.00 0.00 C ATOM 855 C TYR A 60 4.137 -3.632 2.420 1.00 0.00 C ATOM 856 O TYR A 60 3.972 -2.592 1.785 1.00 0.00 O ATOM 857 CB TYR A 60 2.894 -4.784 4.247 1.00 0.00 C ATOM 858 CG TYR A 60 2.707 -3.509 5.072 1.00 0.00 C ATOM 859 CD1 TYR A 60 1.505 -2.832 5.033 1.00 0.00 C ATOM 860 CD2 TYR A 60 3.741 -3.035 5.854 1.00 0.00 C ATOM 861 CE1 TYR A 60 1.328 -1.632 5.810 1.00 0.00 C ATOM 862 CE2 TYR A 60 3.564 -1.835 6.630 1.00 0.00 C ATOM 863 CZ TYR A 60 2.367 -1.193 6.570 1.00 0.00 C ATOM 864 OH TYR A 60 2.201 -0.060 7.303 1.00 0.00 O ATOM 0 H TYR A 60 3.376 -6.596 2.784 1.00 0.00 H new ATOM 0 HA TYR A 60 2.051 -4.062 2.356 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.075 -5.469 4.465 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.814 -5.276 4.562 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.697 -3.202 4.420 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.682 -3.564 5.884 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.392 -1.093 5.790 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.365 -1.453 7.246 1.00 0.00 H new ATOM 0 HH TYR A 60 3.025 0.133 7.797 1.00 0.00 H new ATOM 874 N ARG A 61 5.306 -4.054 2.879 1.00 0.00 N ATOM 875 CA ARG A 61 6.520 -3.288 2.653 1.00 0.00 C ATOM 876 C ARG A 61 6.602 -2.842 1.191 1.00 0.00 C ATOM 877 O ARG A 61 6.794 -1.661 0.909 1.00 0.00 O ATOM 878 CB ARG A 61 7.763 -4.110 2.998 1.00 0.00 C ATOM 879 CG ARG A 61 7.819 -4.416 4.496 1.00 0.00 C ATOM 880 CD ARG A 61 8.640 -5.678 4.768 1.00 0.00 C ATOM 881 NE ARG A 61 8.568 -6.030 6.204 1.00 0.00 N ATOM 882 CZ ARG A 61 9.270 -5.413 7.164 1.00 0.00 C ATOM 883 NH1 ARG A 61 10.100 -4.409 6.848 1.00 0.00 N ATOM 884 NH2 ARG A 61 9.141 -5.799 8.441 1.00 0.00 N ATOM 0 H ARG A 61 5.438 -4.917 3.407 1.00 0.00 H new ATOM 0 HA ARG A 61 6.485 -2.413 3.302 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.756 -5.042 2.433 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.658 -3.564 2.701 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.258 -3.571 5.027 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.808 -4.545 4.882 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.264 -6.504 4.164 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.678 -5.516 4.476 1.00 0.00 H new ATOM 0 HE ARG A 61 7.945 -6.789 6.480 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.197 -4.114 5.876 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.634 -3.940 7.579 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.509 -6.562 8.682 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.675 -5.330 9.172 1.00 0.00 H new ATOM 898 N TYR A 62 6.452 -3.812 0.301 1.00 0.00 N ATOM 899 CA TYR A 62 6.506 -3.534 -1.124 1.00 0.00 C ATOM 900 C TYR A 62 5.414 -2.543 -1.532 1.00 0.00 C ATOM 901 O TYR A 62 5.648 -1.661 -2.357 1.00 0.00 O ATOM 902 CB TYR A 62 6.253 -4.871 -1.824 1.00 0.00 C ATOM 903 CG TYR A 62 5.802 -4.735 -3.280 1.00 0.00 C ATOM 904 CD1 TYR A 62 4.484 -4.442 -3.570 1.00 0.00 C ATOM 905 CD2 TYR A 62 6.712 -4.906 -4.303 1.00 0.00 C ATOM 906 CE1 TYR A 62 4.060 -4.314 -4.940 1.00 0.00 C ATOM 907 CE2 TYR A 62 6.287 -4.778 -5.673 1.00 0.00 C ATOM 908 CZ TYR A 62 4.982 -4.489 -5.924 1.00 0.00 C ATOM 909 OH TYR A 62 4.581 -4.368 -7.218 1.00 0.00 O ATOM 0 H TYR A 62 6.293 -4.791 0.539 1.00 0.00 H new ATOM 0 HA TYR A 62 7.467 -3.096 -1.393 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.166 -5.465 -1.791 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.494 -5.422 -1.269 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.771 -4.309 -2.769 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.743 -5.136 -4.076 1.00 0.00 H new ATOM 0 HE1 TYR A 62 3.033 -4.084 -5.181 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.989 -4.909 -6.483 1.00 0.00 H new ATOM 0 HH TYR A 62 3.613 -4.511 -7.275 1.00 0.00 H new ATOM 919 N TYR A 63 4.245 -2.722 -0.936 1.00 0.00 N ATOM 920 CA TYR A 63 3.116 -1.855 -1.226 1.00 0.00 C ATOM 921 C TYR A 63 3.368 -0.436 -0.713 1.00 0.00 C ATOM 922 O TYR A 63 3.146 0.537 -1.432 1.00 0.00 O ATOM 923 CB TYR A 63 1.922 -2.451 -0.477 1.00 0.00 C ATOM 924 CG TYR A 63 0.857 -1.424 -0.087 1.00 0.00 C ATOM 925 CD1 TYR A 63 1.002 -0.686 1.070 1.00 0.00 C ATOM 926 CD2 TYR A 63 -0.248 -1.236 -0.892 1.00 0.00 C ATOM 927 CE1 TYR A 63 -0.001 0.281 1.437 1.00 0.00 C ATOM 928 CE2 TYR A 63 -1.251 -0.270 -0.524 1.00 0.00 C ATOM 929 CZ TYR A 63 -1.077 0.441 0.622 1.00 0.00 C ATOM 930 OH TYR A 63 -2.024 1.353 0.969 1.00 0.00 O ATOM 0 H TYR A 63 4.055 -3.455 -0.253 1.00 0.00 H new ATOM 0 HA TYR A 63 2.946 -1.793 -2.301 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.462 -3.218 -1.100 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.282 -2.946 0.425 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.867 -0.833 1.700 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.361 -1.813 -1.798 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.100 0.866 2.339 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.121 -0.114 -1.144 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.668 1.946 1.664 1.00 0.00 H new ATOM 940 N ARG A 64 3.829 -0.363 0.527 1.00 0.00 N ATOM 941 CA ARG A 64 4.114 0.921 1.146 1.00 0.00 C ATOM 942 C ARG A 64 5.069 1.732 0.268 1.00 0.00 C ATOM 943 O ARG A 64 4.840 2.916 0.024 1.00 0.00 O ATOM 944 CB ARG A 64 4.736 0.739 2.532 1.00 0.00 C ATOM 945 CG ARG A 64 3.718 1.042 3.633 1.00 0.00 C ATOM 946 CD ARG A 64 3.805 2.505 4.072 1.00 0.00 C ATOM 947 NE ARG A 64 4.933 2.685 5.013 1.00 0.00 N ATOM 948 CZ ARG A 64 5.260 3.855 5.579 1.00 0.00 C ATOM 949 NH1 ARG A 64 4.548 4.955 5.303 1.00 0.00 N ATOM 950 NH2 ARG A 64 6.300 3.924 6.421 1.00 0.00 N ATOM 0 H ARG A 64 4.012 -1.172 1.120 1.00 0.00 H new ATOM 0 HA ARG A 64 3.170 1.455 1.252 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.101 -0.283 2.640 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.598 1.398 2.637 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.712 0.826 3.273 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.897 0.391 4.488 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.941 3.147 3.202 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.872 2.807 4.548 1.00 0.00 H new ATOM 0 HE ARG A 64 5.497 1.867 5.245 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.756 4.903 4.662 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.797 5.845 5.734 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.843 3.086 6.631 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.549 4.814 6.852 1.00 0.00 H new ATOM 964 N GLN A 65 6.121 1.063 -0.182 1.00 0.00 N ATOM 965 CA GLN A 65 7.112 1.707 -1.027 1.00 0.00 C ATOM 966 C GLN A 65 6.439 2.339 -2.247 1.00 0.00 C ATOM 967 O GLN A 65 6.621 3.526 -2.515 1.00 0.00 O ATOM 968 CB GLN A 65 8.197 0.716 -1.452 1.00 0.00 C ATOM 969 CG GLN A 65 9.519 1.436 -1.727 1.00 0.00 C ATOM 970 CD GLN A 65 10.376 0.647 -2.719 1.00 0.00 C ATOM 971 OE1 GLN A 65 9.981 -0.384 -3.238 1.00 0.00 O ATOM 972 NE2 GLN A 65 11.569 1.188 -2.953 1.00 0.00 N ATOM 0 H GLN A 65 6.308 0.081 0.023 1.00 0.00 H new ATOM 0 HA GLN A 65 7.593 2.498 -0.451 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.340 -0.029 -0.670 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.877 0.182 -2.346 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.320 2.431 -2.124 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.066 1.569 -0.794 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.837 2.054 -2.485 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.215 0.737 -3.601 1.00 0.00 H new ATOM 981 N LYS A 66 5.676 1.519 -2.954 1.00 0.00 N ATOM 982 CA LYS A 66 4.975 1.983 -4.139 1.00 0.00 C ATOM 983 C LYS A 66 4.179 3.244 -3.795 1.00 0.00 C ATOM 984 O LYS A 66 4.164 4.202 -4.565 1.00 0.00 O ATOM 985 CB LYS A 66 4.122 0.860 -4.731 1.00 0.00 C ATOM 986 CG LYS A 66 5.001 -0.256 -5.300 1.00 0.00 C ATOM 987 CD LYS A 66 5.619 0.160 -6.636 1.00 0.00 C ATOM 988 CE LYS A 66 6.659 -0.862 -7.101 1.00 0.00 C ATOM 989 NZ LYS A 66 7.896 -0.745 -6.298 1.00 0.00 N ATOM 0 H LYS A 66 5.528 0.535 -2.729 1.00 0.00 H new ATOM 0 HA LYS A 66 5.686 2.257 -4.919 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.465 0.454 -3.962 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.482 1.261 -5.518 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.791 -0.499 -4.590 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.406 -1.159 -5.436 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.836 0.256 -7.389 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.086 1.140 -6.535 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.253 -1.870 -7.010 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.887 -0.704 -8.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.656 -1.294 -6.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.179 0.254 -6.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.724 -1.113 -5.340 1.00 0.00 H new ATOM 1003 N LEU A 67 3.538 3.202 -2.636 1.00 0.00 N ATOM 1004 CA LEU A 67 2.742 4.329 -2.181 1.00 0.00 C ATOM 1005 C LEU A 67 3.609 5.589 -2.170 1.00 0.00 C ATOM 1006 O LEU A 67 3.214 6.623 -2.706 1.00 0.00 O ATOM 1007 CB LEU A 67 2.094 4.016 -0.830 1.00 0.00 C ATOM 1008 CG LEU A 67 0.789 4.753 -0.525 1.00 0.00 C ATOM 1009 CD1 LEU A 67 -0.222 4.570 -1.660 1.00 0.00 C ATOM 1010 CD2 LEU A 67 0.217 4.320 0.826 1.00 0.00 C ATOM 0 H LEU A 67 3.554 2.406 -1.999 1.00 0.00 H new ATOM 0 HA LEU A 67 1.917 4.516 -2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.903 2.944 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.812 4.248 -0.043 1.00 0.00 H new ATOM 0 HG LEU A 67 1.007 5.819 -0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.141 5.104 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.195 4.966 -2.586 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.441 3.509 -1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.711 4.859 1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.017 3.249 0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.936 4.543 1.614 1.00 0.00 H new ATOM 1022 N ASP A 68 4.775 5.461 -1.554 1.00 0.00 N ATOM 1023 CA ASP A 68 5.702 6.577 -1.467 1.00 0.00 C ATOM 1024 C ASP A 68 6.278 6.866 -2.854 1.00 0.00 C ATOM 1025 O ASP A 68 6.415 8.024 -3.244 1.00 0.00 O ATOM 1026 CB ASP A 68 6.867 6.253 -0.529 1.00 0.00 C ATOM 1027 CG ASP A 68 7.495 7.464 0.164 1.00 0.00 C ATOM 1028 OD1 ASP A 68 6.721 8.230 0.778 1.00 0.00 O ATOM 1029 OD2 ASP A 68 8.734 7.596 0.064 1.00 0.00 O ATOM 0 H ASP A 68 5.099 4.602 -1.110 1.00 0.00 H new ATOM 0 HA ASP A 68 5.157 7.439 -1.081 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.517 5.558 0.234 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.640 5.738 -1.099 1.00 0.00 H new ATOM 1034 N GLU A 69 6.599 5.792 -3.562 1.00 0.00 N ATOM 1035 CA GLU A 69 7.157 5.916 -4.897 1.00 0.00 C ATOM 1036 C GLU A 69 6.284 6.835 -5.754 1.00 0.00 C ATOM 1037 O GLU A 69 6.765 7.835 -6.286 1.00 0.00 O ATOM 1038 CB GLU A 69 7.318 4.544 -5.554 1.00 0.00 C ATOM 1039 CG GLU A 69 8.765 4.311 -5.992 1.00 0.00 C ATOM 1040 CD GLU A 69 9.577 3.651 -4.876 1.00 0.00 C ATOM 1041 OE1 GLU A 69 9.056 2.673 -4.298 1.00 0.00 O ATOM 1042 OE2 GLU A 69 10.700 4.140 -4.626 1.00 0.00 O ATOM 0 H GLU A 69 6.483 4.833 -3.235 1.00 0.00 H new ATOM 0 HA GLU A 69 8.148 6.361 -4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.016 3.764 -4.854 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.657 4.471 -6.417 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.782 3.680 -6.881 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.223 5.261 -6.266 1.00 0.00 H new ATOM 1049 N PHE A 70 5.017 6.463 -5.862 1.00 0.00 N ATOM 1050 CA PHE A 70 4.073 7.242 -6.645 1.00 0.00 C ATOM 1051 C PHE A 70 3.833 8.613 -6.011 1.00 0.00 C ATOM 1052 O PHE A 70 3.816 9.628 -6.705 1.00 0.00 O ATOM 1053 CB PHE A 70 2.756 6.463 -6.662 1.00 0.00 C ATOM 1054 CG PHE A 70 2.897 5.012 -7.128 1.00 0.00 C ATOM 1055 CD1 PHE A 70 3.906 4.664 -7.970 1.00 0.00 C ATOM 1056 CD2 PHE A 70 2.013 4.072 -6.699 1.00 0.00 C ATOM 1057 CE1 PHE A 70 4.036 3.317 -8.403 1.00 0.00 C ATOM 1058 CE2 PHE A 70 2.143 2.725 -7.132 1.00 0.00 C ATOM 1059 CZ PHE A 70 3.152 2.377 -7.975 1.00 0.00 C ATOM 0 H PHE A 70 4.622 5.633 -5.420 1.00 0.00 H new ATOM 0 HA PHE A 70 4.465 7.401 -7.650 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.328 6.472 -5.660 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.050 6.977 -7.315 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.608 5.411 -8.310 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.212 4.349 -6.029 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.837 3.040 -9.072 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.441 1.978 -6.792 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.251 1.353 -8.305 1.00 0.00 H new ATOM 1069 N ARG A 71 3.654 8.598 -4.698 1.00 0.00 N ATOM 1070 CA ARG A 71 3.416 9.828 -3.962 1.00 0.00 C ATOM 1071 C ARG A 71 4.724 10.601 -3.782 1.00 0.00 C ATOM 1072 O ARG A 71 5.161 10.834 -2.656 1.00 0.00 O ATOM 1073 CB ARG A 71 2.809 9.539 -2.587 1.00 0.00 C ATOM 1074 CG ARG A 71 1.334 9.152 -2.709 1.00 0.00 C ATOM 1075 CD ARG A 71 0.961 8.079 -1.683 1.00 0.00 C ATOM 1076 NE ARG A 71 -0.466 8.206 -1.314 1.00 0.00 N ATOM 1077 CZ ARG A 71 -0.949 9.147 -0.491 1.00 0.00 C ATOM 1078 NH1 ARG A 71 -0.121 10.048 0.055 1.00 0.00 N ATOM 1079 NH2 ARG A 71 -2.259 9.185 -0.212 1.00 0.00 N ATOM 0 H ARG A 71 3.669 7.754 -4.125 1.00 0.00 H new ATOM 0 HA ARG A 71 2.712 10.428 -4.539 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.361 8.733 -2.104 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.906 10.418 -1.950 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.710 10.033 -2.562 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.133 8.784 -3.715 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.152 7.088 -2.095 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.585 8.180 -0.795 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.124 7.535 -1.711 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.877 10.018 -0.156 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.488 10.764 0.681 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.889 8.498 -0.626 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.626 9.901 0.414 1.00 0.00 H new ATOM 1093 N LYS A 72 5.311 10.977 -4.908 1.00 0.00 N ATOM 1094 CA LYS A 72 6.561 11.719 -4.889 1.00 0.00 C ATOM 1095 C LYS A 72 6.513 12.761 -3.770 1.00 0.00 C ATOM 1096 O LYS A 72 7.192 12.620 -2.755 1.00 0.00 O ATOM 1097 CB LYS A 72 6.854 12.310 -6.269 1.00 0.00 C ATOM 1098 CG LYS A 72 7.623 11.315 -7.140 1.00 0.00 C ATOM 1099 CD LYS A 72 6.696 10.648 -8.158 1.00 0.00 C ATOM 1100 CE LYS A 72 7.500 9.935 -9.247 1.00 0.00 C ATOM 1101 NZ LYS A 72 6.638 9.627 -10.410 1.00 0.00 N ATOM 0 H LYS A 72 4.945 10.782 -5.840 1.00 0.00 H new ATOM 0 HA LYS A 72 7.396 11.054 -4.670 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.918 12.580 -6.759 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.433 13.227 -6.160 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.430 11.830 -7.661 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.084 10.555 -6.510 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.049 9.932 -7.651 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.048 11.398 -8.612 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.334 10.562 -9.561 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.926 9.014 -8.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.199 9.143 -11.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.856 9.010 -10.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.252 10.511 -10.799 1.00 0.00 H new ATOM 1115 N SER A 73 5.703 13.786 -3.994 1.00 0.00 N ATOM 1116 CA SER A 73 5.557 14.852 -3.017 1.00 0.00 C ATOM 1117 C SER A 73 4.986 14.292 -1.713 1.00 0.00 C ATOM 1118 O SER A 73 3.845 13.835 -1.677 1.00 0.00 O ATOM 1119 CB SER A 73 4.660 15.970 -3.553 1.00 0.00 C ATOM 1120 OG SER A 73 5.339 16.792 -4.499 1.00 0.00 O ATOM 0 H SER A 73 5.141 13.901 -4.838 1.00 0.00 H new ATOM 0 HA SER A 73 6.542 15.275 -2.822 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.777 15.534 -4.020 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.311 16.585 -2.723 1.00 0.00 H new ATOM 0 HG SER A 73 4.733 17.492 -4.819 1.00 0.00 H new ATOM 1126 N GLY A 74 5.806 14.347 -0.674 1.00 0.00 N ATOM 1127 CA GLY A 74 5.397 13.852 0.629 1.00 0.00 C ATOM 1128 C GLY A 74 5.844 14.801 1.742 1.00 0.00 C ATOM 1129 O GLY A 74 6.786 15.573 1.564 1.00 0.00 O ATOM 0 H GLY A 74 6.752 14.727 -0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 74 4.313 13.740 0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.824 12.863 0.796 1.00 0.00 H new ATOM 1133 N PRO A 75 5.130 14.712 2.896 1.00 0.00 N ATOM 1134 CA PRO A 75 5.444 15.554 4.038 1.00 0.00 C ATOM 1135 C PRO A 75 6.711 15.069 4.745 1.00 0.00 C ATOM 1136 O PRO A 75 6.660 14.643 5.897 1.00 0.00 O ATOM 1137 CB PRO A 75 4.210 15.492 4.923 1.00 0.00 C ATOM 1138 CG PRO A 75 3.439 14.259 4.479 1.00 0.00 C ATOM 1139 CD PRO A 75 4.009 13.810 3.143 1.00 0.00 C ATOM 0 HA PRO A 75 5.663 16.583 3.754 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.487 15.421 5.975 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.605 16.392 4.813 1.00 0.00 H new ATOM 0 HG2 PRO A 75 3.530 13.464 5.220 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.377 14.486 4.384 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.338 12.771 3.182 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.263 13.879 2.351 1.00 0.00 H new ATOM 1147 N SER A 76 7.820 15.151 4.024 1.00 0.00 N ATOM 1148 CA SER A 76 9.099 14.726 4.567 1.00 0.00 C ATOM 1149 C SER A 76 9.746 15.875 5.343 1.00 0.00 C ATOM 1150 O SER A 76 10.448 16.702 4.764 1.00 0.00 O ATOM 1151 CB SER A 76 10.035 14.241 3.458 1.00 0.00 C ATOM 1152 OG SER A 76 10.300 15.262 2.499 1.00 0.00 O ATOM 0 H SER A 76 7.859 15.506 3.068 1.00 0.00 H new ATOM 0 HA SER A 76 8.922 13.892 5.246 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.974 13.904 3.897 1.00 0.00 H new ATOM 0 HB3 SER A 76 9.590 13.381 2.958 1.00 0.00 H new ATOM 0 HG SER A 76 10.441 16.115 2.960 1.00 0.00 H new ATOM 1158 N SER A 77 9.485 15.891 6.642 1.00 0.00 N ATOM 1159 CA SER A 77 10.033 16.925 7.503 1.00 0.00 C ATOM 1160 C SER A 77 11.487 16.600 7.851 1.00 0.00 C ATOM 1161 O SER A 77 11.803 15.472 8.226 1.00 0.00 O ATOM 1162 CB SER A 77 9.203 17.075 8.780 1.00 0.00 C ATOM 1163 OG SER A 77 9.354 15.957 9.649 1.00 0.00 O ATOM 0 H SER A 77 8.901 15.204 7.119 1.00 0.00 H new ATOM 0 HA SER A 77 9.998 17.872 6.965 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.503 17.983 9.303 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.151 17.191 8.517 1.00 0.00 H new ATOM 0 HG SER A 77 8.810 16.092 10.453 1.00 0.00 H new ATOM 1169 N GLY A 78 12.334 17.610 7.713 1.00 0.00 N ATOM 1170 CA GLY A 78 13.748 17.446 8.008 1.00 0.00 C ATOM 1171 C GLY A 78 14.299 16.174 7.360 1.00 0.00 C ATOM 1172 O GLY A 78 15.017 16.242 6.364 1.00 0.00 O ATOM 0 H GLY A 78 12.069 18.544 7.401 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.302 18.312 7.646 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.895 17.402 9.087 1.00 0.00 H new TER 1176 GLY A 78