USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 435 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 THR OG1 : rot -89:sc= 1.66 USER MOD Set 1.2: A 45 THR OG1 : rot -61:sc= -0.965 USER MOD Set 2.1: A 18 HIS : no HD1:sc= -0.278 X(o=-0.049,f=-0.33) USER MOD Set 2.2: A 29 TYR OH : rot 29:sc= 0.229 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 17:sc= 0.668 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.292 K(o=-0.29,f=-2.6!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc=-0.00577 X(o=-0.0058,f=-0.13) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 MET CE :methyl -177:sc= -3.59 (180deg=-3.74) USER MOD Single : A 19 GLN : amide:sc=-0.00526 K(o=-0.0053,f=-1) USER MOD Single : A 21 GLN : amide:sc= -0.0314 X(o=-0.031,f=-0.18) USER MOD Single : A 23 MET CE :methyl -123:sc= 0 (180deg=-2.13!) USER MOD Single : A 26 GLN : amide:sc= -0.0525 K(o=-0.052,f=-1.5!) USER MOD Single : A 30 HIS : no HD1:sc= -0.361 X(o=-0.36,f=-0.18) USER MOD Single : A 34 GLN : amide:sc= -6.63! C(o=-6.6!,f=-9.9!) USER MOD Single : A 37 GLN : amide:sc= -0.0183 X(o=-0.018,f=0) USER MOD Single : A 41 SER OG : rot 44:sc= 1.21 USER MOD Single : A 46 THR OG1 : rot 11:sc= 0.43 USER MOD Single : A 48 ASN : amide:sc= -4.69! K(o=-4.7!,f=-2) USER MOD Single : A 55 GLN : amide:sc= -0.0082 X(o=-0.0082,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.165 -12.900 3.795 1.00 0.00 N ATOM 2 CA GLY A 1 -11.689 -12.906 2.439 1.00 0.00 C ATOM 3 C GLY A 1 -13.170 -13.292 2.425 1.00 0.00 C ATOM 4 O GLY A 1 -13.541 -14.360 2.909 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.159 -12.635 3.777 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.694 -12.212 4.369 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.266 -13.848 4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.562 -11.920 1.992 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.121 -13.608 1.829 1.00 0.00 H new ATOM 8 N SER A 2 -13.975 -12.401 1.866 1.00 0.00 N ATOM 9 CA SER A 2 -15.407 -12.635 1.782 1.00 0.00 C ATOM 10 C SER A 2 -15.916 -12.272 0.386 1.00 0.00 C ATOM 11 O SER A 2 -16.092 -11.096 0.072 1.00 0.00 O ATOM 12 CB SER A 2 -16.159 -11.833 2.846 1.00 0.00 C ATOM 13 OG SER A 2 -16.708 -12.672 3.859 1.00 0.00 O ATOM 0 H SER A 2 -13.663 -11.516 1.467 1.00 0.00 H new ATOM 0 HA SER A 2 -15.592 -13.694 1.965 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.482 -11.111 3.301 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.960 -11.265 2.373 1.00 0.00 H new ATOM 0 HG SER A 2 -17.178 -12.122 4.520 1.00 0.00 H new ATOM 19 N SER A 3 -16.138 -13.304 -0.415 1.00 0.00 N ATOM 20 CA SER A 3 -16.623 -13.108 -1.771 1.00 0.00 C ATOM 21 C SER A 3 -17.883 -12.240 -1.756 1.00 0.00 C ATOM 22 O SER A 3 -18.455 -11.989 -0.696 1.00 0.00 O ATOM 23 CB SER A 3 -16.910 -14.448 -2.452 1.00 0.00 C ATOM 24 OG SER A 3 -15.790 -14.919 -3.197 1.00 0.00 O ATOM 0 H SER A 3 -15.991 -14.278 -0.151 1.00 0.00 H new ATOM 0 HA SER A 3 -15.846 -12.600 -2.342 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.181 -15.187 -1.698 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.768 -14.341 -3.116 1.00 0.00 H new ATOM 0 HG SER A 3 -16.013 -15.777 -3.615 1.00 0.00 H new ATOM 30 N GLY A 4 -18.277 -11.805 -2.943 1.00 0.00 N ATOM 31 CA GLY A 4 -19.458 -10.970 -3.080 1.00 0.00 C ATOM 32 C GLY A 4 -20.179 -11.251 -4.400 1.00 0.00 C ATOM 33 O GLY A 4 -20.717 -12.339 -4.598 1.00 0.00 O ATOM 0 H GLY A 4 -17.799 -12.015 -3.819 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.135 -11.152 -2.246 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.172 -9.919 -3.034 1.00 0.00 H new ATOM 37 N SER A 5 -20.167 -10.251 -5.269 1.00 0.00 N ATOM 38 CA SER A 5 -20.812 -10.376 -6.564 1.00 0.00 C ATOM 39 C SER A 5 -19.877 -9.874 -7.666 1.00 0.00 C ATOM 40 O SER A 5 -19.293 -8.798 -7.546 1.00 0.00 O ATOM 41 CB SER A 5 -22.134 -9.607 -6.598 1.00 0.00 C ATOM 42 OG SER A 5 -23.223 -10.434 -6.998 1.00 0.00 O ATOM 0 H SER A 5 -19.720 -9.350 -5.101 1.00 0.00 H new ATOM 0 HA SER A 5 -21.032 -11.430 -6.736 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.337 -9.192 -5.611 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.046 -8.766 -7.285 1.00 0.00 H new ATOM 0 HG SER A 5 -24.049 -9.906 -7.005 1.00 0.00 H new ATOM 48 N SER A 6 -19.764 -10.677 -8.714 1.00 0.00 N ATOM 49 CA SER A 6 -18.910 -10.327 -9.836 1.00 0.00 C ATOM 50 C SER A 6 -19.442 -9.071 -10.528 1.00 0.00 C ATOM 51 O SER A 6 -20.563 -9.065 -11.034 1.00 0.00 O ATOM 52 CB SER A 6 -18.812 -11.482 -10.835 1.00 0.00 C ATOM 53 OG SER A 6 -20.014 -11.643 -11.584 1.00 0.00 O ATOM 0 H SER A 6 -20.250 -11.569 -8.810 1.00 0.00 H new ATOM 0 HA SER A 6 -17.909 -10.127 -9.454 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.981 -11.302 -11.517 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.591 -12.406 -10.301 1.00 0.00 H new ATOM 0 HG SER A 6 -20.558 -10.832 -11.508 1.00 0.00 H new ATOM 59 N GLY A 7 -18.613 -8.037 -10.527 1.00 0.00 N ATOM 60 CA GLY A 7 -18.987 -6.778 -11.148 1.00 0.00 C ATOM 61 C GLY A 7 -19.207 -5.691 -10.094 1.00 0.00 C ATOM 62 O GLY A 7 -19.975 -5.881 -9.152 1.00 0.00 O ATOM 0 H GLY A 7 -17.684 -8.046 -10.106 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.207 -6.465 -11.842 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.897 -6.913 -11.732 1.00 0.00 H new ATOM 66 N ALA A 8 -18.520 -4.575 -10.289 1.00 0.00 N ATOM 67 CA ALA A 8 -18.631 -3.458 -9.367 1.00 0.00 C ATOM 68 C ALA A 8 -18.275 -3.929 -7.956 1.00 0.00 C ATOM 69 O ALA A 8 -19.141 -4.000 -7.084 1.00 0.00 O ATOM 70 CB ALA A 8 -20.041 -2.868 -9.447 1.00 0.00 C ATOM 0 H ALA A 8 -17.885 -4.421 -11.072 1.00 0.00 H new ATOM 0 HA ALA A 8 -17.931 -2.667 -9.636 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -20.124 -2.030 -8.755 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -20.233 -2.521 -10.462 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -20.771 -3.632 -9.181 1.00 0.00 H new ATOM 76 N SER A 9 -17.000 -4.239 -7.774 1.00 0.00 N ATOM 77 CA SER A 9 -16.519 -4.701 -6.483 1.00 0.00 C ATOM 78 C SER A 9 -16.257 -3.507 -5.563 1.00 0.00 C ATOM 79 O SER A 9 -16.245 -2.363 -6.014 1.00 0.00 O ATOM 80 CB SER A 9 -15.250 -5.541 -6.637 1.00 0.00 C ATOM 81 OG SER A 9 -15.496 -6.927 -6.414 1.00 0.00 O ATOM 0 H SER A 9 -16.285 -4.179 -8.499 1.00 0.00 H new ATOM 0 HA SER A 9 -17.288 -5.332 -6.038 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.843 -5.402 -7.638 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.495 -5.189 -5.934 1.00 0.00 H new ATOM 0 HG SER A 9 -14.662 -7.429 -6.523 1.00 0.00 H new ATOM 87 N ASN A 10 -16.055 -3.814 -4.290 1.00 0.00 N ATOM 88 CA ASN A 10 -15.794 -2.780 -3.304 1.00 0.00 C ATOM 89 C ASN A 10 -14.338 -2.323 -3.423 1.00 0.00 C ATOM 90 O ASN A 10 -14.067 -1.130 -3.549 1.00 0.00 O ATOM 91 CB ASN A 10 -16.009 -3.307 -1.883 1.00 0.00 C ATOM 92 CG ASN A 10 -17.432 -3.018 -1.401 1.00 0.00 C ATOM 93 OD1 ASN A 10 -18.157 -2.219 -1.970 1.00 0.00 O ATOM 94 ND2 ASN A 10 -17.788 -3.710 -0.323 1.00 0.00 N ATOM 0 H ASN A 10 -16.067 -4.764 -3.919 1.00 0.00 H new ATOM 0 HA ASN A 10 -16.481 -1.955 -3.491 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.824 -4.381 -1.858 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.291 -2.843 -1.207 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -18.718 -3.588 0.077 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -17.131 -4.363 0.104 1.00 0.00 H new ATOM 101 N SER A 11 -13.440 -3.296 -3.379 1.00 0.00 N ATOM 102 CA SER A 11 -12.020 -3.009 -3.480 1.00 0.00 C ATOM 103 C SER A 11 -11.666 -1.805 -2.605 1.00 0.00 C ATOM 104 O SER A 11 -11.747 -0.662 -3.053 1.00 0.00 O ATOM 105 CB SER A 11 -11.613 -2.748 -4.932 1.00 0.00 C ATOM 106 OG SER A 11 -11.161 -3.933 -5.581 1.00 0.00 O ATOM 0 H SER A 11 -13.669 -4.285 -3.275 1.00 0.00 H new ATOM 0 HA SER A 11 -11.469 -3.881 -3.127 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.462 -2.337 -5.478 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.824 -1.997 -4.958 1.00 0.00 H new ATOM 0 HG SER A 11 -10.912 -3.725 -6.506 1.00 0.00 H new ATOM 112 N GLN A 12 -11.280 -2.103 -1.373 1.00 0.00 N ATOM 113 CA GLN A 12 -10.914 -1.059 -0.431 1.00 0.00 C ATOM 114 C GLN A 12 -9.418 -0.754 -0.532 1.00 0.00 C ATOM 115 O GLN A 12 -9.027 0.393 -0.739 1.00 0.00 O ATOM 116 CB GLN A 12 -11.299 -1.449 0.998 1.00 0.00 C ATOM 117 CG GLN A 12 -12.463 -0.597 1.504 1.00 0.00 C ATOM 118 CD GLN A 12 -11.955 0.653 2.225 1.00 0.00 C ATOM 119 OE1 GLN A 12 -11.154 1.416 1.711 1.00 0.00 O ATOM 120 NE2 GLN A 12 -12.464 0.820 3.443 1.00 0.00 N ATOM 0 H GLN A 12 -11.213 -3.052 -1.005 1.00 0.00 H new ATOM 0 HA GLN A 12 -11.468 -0.156 -0.687 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -11.575 -2.503 1.029 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.439 -1.325 1.657 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -13.096 -0.306 0.666 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -13.082 -1.186 2.181 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -13.131 0.143 3.814 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.187 1.625 4.005 1.00 0.00 H new ATOM 129 N LEU A 13 -8.622 -1.803 -0.381 1.00 0.00 N ATOM 130 CA LEU A 13 -7.177 -1.662 -0.453 1.00 0.00 C ATOM 131 C LEU A 13 -6.810 -0.834 -1.686 1.00 0.00 C ATOM 132 O LEU A 13 -5.991 0.080 -1.604 1.00 0.00 O ATOM 133 CB LEU A 13 -6.502 -3.034 -0.410 1.00 0.00 C ATOM 134 CG LEU A 13 -6.436 -3.707 0.963 1.00 0.00 C ATOM 135 CD1 LEU A 13 -5.228 -3.210 1.759 1.00 0.00 C ATOM 136 CD2 LEU A 13 -7.746 -3.517 1.730 1.00 0.00 C ATOM 0 H LEU A 13 -8.950 -2.753 -0.209 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.803 -1.121 0.417 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.031 -3.699 -1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.486 -2.929 -0.790 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.304 -4.778 0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.204 -3.704 2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.313 -3.440 1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.305 -2.132 1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.673 -4.005 2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.934 -2.453 1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.566 -3.958 1.164 1.00 0.00 H new ATOM 148 N ASN A 14 -7.435 -1.184 -2.801 1.00 0.00 N ATOM 149 CA ASN A 14 -7.185 -0.485 -4.050 1.00 0.00 C ATOM 150 C ASN A 14 -7.240 1.024 -3.805 1.00 0.00 C ATOM 151 O ASN A 14 -6.230 1.715 -3.930 1.00 0.00 O ATOM 152 CB ASN A 14 -8.243 -0.833 -5.098 1.00 0.00 C ATOM 153 CG ASN A 14 -7.653 -0.791 -6.509 1.00 0.00 C ATOM 154 OD1 ASN A 14 -7.837 0.153 -7.259 1.00 0.00 O ATOM 155 ND2 ASN A 14 -6.935 -1.864 -6.827 1.00 0.00 N ATOM 0 H ASN A 14 -8.114 -1.942 -2.865 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.204 -0.788 -4.415 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.645 -1.826 -4.898 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.075 -0.132 -5.027 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.499 -1.932 -7.747 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.820 -2.620 -6.151 1.00 0.00 H new ATOM 162 N ALA A 15 -8.431 1.492 -3.459 1.00 0.00 N ATOM 163 CA ALA A 15 -8.632 2.907 -3.195 1.00 0.00 C ATOM 164 C ALA A 15 -7.443 3.446 -2.396 1.00 0.00 C ATOM 165 O ALA A 15 -6.733 4.337 -2.859 1.00 0.00 O ATOM 166 CB ALA A 15 -9.962 3.107 -2.467 1.00 0.00 C ATOM 0 H ALA A 15 -9.266 0.916 -3.355 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.684 3.468 -4.128 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.112 4.168 -2.269 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.776 2.735 -3.088 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.946 2.561 -1.524 1.00 0.00 H new ATOM 172 N MET A 16 -7.264 2.882 -1.211 1.00 0.00 N ATOM 173 CA MET A 16 -6.174 3.295 -0.343 1.00 0.00 C ATOM 174 C MET A 16 -4.886 3.502 -1.142 1.00 0.00 C ATOM 175 O MET A 16 -4.335 4.602 -1.166 1.00 0.00 O ATOM 176 CB MET A 16 -5.944 2.229 0.730 1.00 0.00 C ATOM 177 CG MET A 16 -7.017 2.306 1.818 1.00 0.00 C ATOM 178 SD MET A 16 -7.800 0.714 2.016 1.00 0.00 S ATOM 179 CE MET A 16 -6.500 -0.168 2.864 1.00 0.00 C ATOM 0 H MET A 16 -7.855 2.143 -0.831 1.00 0.00 H new ATOM 0 HA MET A 16 -6.445 4.241 0.125 1.00 0.00 H new ATOM 0 HB2 MET A 16 -5.955 1.240 0.273 1.00 0.00 H new ATOM 0 HB3 MET A 16 -4.959 2.363 1.176 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.569 2.620 2.761 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.762 3.057 1.553 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.804 -1.203 3.019 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.591 -0.143 2.263 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.310 0.303 3.829 1.00 0.00 H new ATOM 189 N ALA A 17 -4.442 2.427 -1.777 1.00 0.00 N ATOM 190 CA ALA A 17 -3.228 2.477 -2.575 1.00 0.00 C ATOM 191 C ALA A 17 -3.225 3.758 -3.411 1.00 0.00 C ATOM 192 O ALA A 17 -2.311 4.574 -3.300 1.00 0.00 O ATOM 193 CB ALA A 17 -3.133 1.217 -3.438 1.00 0.00 C ATOM 0 H ALA A 17 -4.901 1.516 -1.755 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.347 2.500 -1.933 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.223 1.254 -4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.109 0.337 -2.795 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.999 1.162 -4.097 1.00 0.00 H new ATOM 199 N HIS A 18 -4.258 3.896 -4.229 1.00 0.00 N ATOM 200 CA HIS A 18 -4.386 5.064 -5.083 1.00 0.00 C ATOM 201 C HIS A 18 -3.998 6.319 -4.298 1.00 0.00 C ATOM 202 O HIS A 18 -3.060 7.022 -4.669 1.00 0.00 O ATOM 203 CB HIS A 18 -5.792 5.150 -5.680 1.00 0.00 C ATOM 204 CG HIS A 18 -5.820 5.155 -7.189 1.00 0.00 C ATOM 205 ND1 HIS A 18 -4.836 5.757 -7.955 1.00 0.00 N ATOM 206 CD2 HIS A 18 -6.720 4.625 -8.066 1.00 0.00 C ATOM 207 CE1 HIS A 18 -5.142 5.592 -9.234 1.00 0.00 C ATOM 208 NE2 HIS A 18 -6.309 4.890 -9.301 1.00 0.00 N ATOM 0 H HIS A 18 -5.014 3.218 -4.318 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.701 4.978 -5.926 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -6.381 4.307 -5.319 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.276 6.056 -5.315 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.615 4.082 -7.801 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.568 5.951 -10.075 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -6.788 4.614 -10.158 1.00 0.00 H new ATOM 216 N GLN A 19 -4.740 6.561 -3.227 1.00 0.00 N ATOM 217 CA GLN A 19 -4.485 7.719 -2.387 1.00 0.00 C ATOM 218 C GLN A 19 -2.993 7.821 -2.062 1.00 0.00 C ATOM 219 O GLN A 19 -2.409 8.901 -2.145 1.00 0.00 O ATOM 220 CB GLN A 19 -5.322 7.662 -1.107 1.00 0.00 C ATOM 221 CG GLN A 19 -6.502 8.632 -1.180 1.00 0.00 C ATOM 222 CD GLN A 19 -6.074 10.048 -0.788 1.00 0.00 C ATOM 223 OE1 GLN A 19 -5.308 10.704 -1.475 1.00 0.00 O ATOM 224 NE2 GLN A 19 -6.609 10.479 0.350 1.00 0.00 N ATOM 0 H GLN A 19 -5.517 5.975 -2.922 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.779 8.614 -2.936 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.690 6.647 -0.954 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.697 7.908 -0.248 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.910 8.638 -2.191 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.298 8.292 -0.517 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.243 9.877 0.875 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.385 11.411 0.698 1.00 0.00 H new ATOM 233 N ILE A 20 -2.420 6.683 -1.700 1.00 0.00 N ATOM 234 CA ILE A 20 -1.007 6.632 -1.363 1.00 0.00 C ATOM 235 C ILE A 20 -0.178 6.937 -2.612 1.00 0.00 C ATOM 236 O ILE A 20 0.595 7.893 -2.630 1.00 0.00 O ATOM 237 CB ILE A 20 -0.661 5.293 -0.708 1.00 0.00 C ATOM 238 CG1 ILE A 20 -1.422 5.115 0.608 1.00 0.00 C ATOM 239 CG2 ILE A 20 0.850 5.149 -0.520 1.00 0.00 C ATOM 240 CD1 ILE A 20 -1.112 3.756 1.240 1.00 0.00 C ATOM 0 H ILE A 20 -2.908 5.790 -1.633 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.764 7.395 -0.624 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.980 4.493 -1.376 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.151 5.912 1.300 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.494 5.200 0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.069 4.189 -0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.344 5.201 -1.490 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.216 5.954 0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.665 3.654 2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.407 2.961 0.555 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.043 3.684 1.442 1.00 0.00 H new ATOM 252 N GLN A 21 -0.367 6.106 -3.627 1.00 0.00 N ATOM 253 CA GLN A 21 0.354 6.275 -4.877 1.00 0.00 C ATOM 254 C GLN A 21 0.476 7.761 -5.223 1.00 0.00 C ATOM 255 O GLN A 21 1.544 8.224 -5.619 1.00 0.00 O ATOM 256 CB GLN A 21 -0.324 5.502 -6.010 1.00 0.00 C ATOM 257 CG GLN A 21 0.682 5.138 -7.104 1.00 0.00 C ATOM 258 CD GLN A 21 0.289 5.768 -8.442 1.00 0.00 C ATOM 259 OE1 GLN A 21 -0.856 5.730 -8.862 1.00 0.00 O ATOM 260 NE2 GLN A 21 1.299 6.347 -9.085 1.00 0.00 N ATOM 0 H GLN A 21 -1.009 5.314 -3.609 1.00 0.00 H new ATOM 0 HA GLN A 21 1.357 5.867 -4.753 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.780 4.595 -5.614 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -1.128 6.103 -6.435 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.677 5.478 -6.816 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.734 4.054 -7.209 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.233 6.342 -8.676 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.139 6.796 -9.987 1.00 0.00 H new ATOM 269 N GLU A 22 -0.634 8.466 -5.061 1.00 0.00 N ATOM 270 CA GLU A 22 -0.665 9.889 -5.351 1.00 0.00 C ATOM 271 C GLU A 22 0.465 10.607 -4.611 1.00 0.00 C ATOM 272 O GLU A 22 1.317 11.239 -5.235 1.00 0.00 O ATOM 273 CB GLU A 22 -2.025 10.492 -4.992 1.00 0.00 C ATOM 274 CG GLU A 22 -3.106 10.028 -5.970 1.00 0.00 C ATOM 275 CD GLU A 22 -4.462 9.907 -5.271 1.00 0.00 C ATOM 276 OE1 GLU A 22 -4.905 10.933 -4.711 1.00 0.00 O ATOM 277 OE2 GLU A 22 -5.025 8.791 -5.313 1.00 0.00 O ATOM 0 H GLU A 22 -1.518 8.078 -4.733 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.515 10.025 -6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.299 10.202 -3.978 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.960 11.580 -5.006 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.181 10.734 -6.797 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.826 9.065 -6.397 1.00 0.00 H new ATOM 284 N MET A 23 0.437 10.485 -3.292 1.00 0.00 N ATOM 285 CA MET A 23 1.449 11.114 -2.461 1.00 0.00 C ATOM 286 C MET A 23 2.809 10.437 -2.645 1.00 0.00 C ATOM 287 O MET A 23 3.844 11.102 -2.635 1.00 0.00 O ATOM 288 CB MET A 23 1.030 11.027 -0.992 1.00 0.00 C ATOM 289 CG MET A 23 -0.159 11.946 -0.706 1.00 0.00 C ATOM 290 SD MET A 23 0.028 12.704 0.900 1.00 0.00 S ATOM 291 CE MET A 23 -0.350 11.310 1.947 1.00 0.00 C ATOM 0 H MET A 23 -0.271 9.960 -2.778 1.00 0.00 H new ATOM 0 HA MET A 23 1.541 12.158 -2.761 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.767 9.998 -0.745 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.869 11.303 -0.354 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.228 12.716 -1.475 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.087 11.376 -0.742 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.180 11.565 2.606 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.626 10.455 1.329 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.525 11.057 2.546 1.00 0.00 H new ATOM 301 N PHE A 24 2.762 9.123 -2.810 1.00 0.00 N ATOM 302 CA PHE A 24 3.977 8.349 -2.996 1.00 0.00 C ATOM 303 C PHE A 24 3.910 7.524 -4.283 1.00 0.00 C ATOM 304 O PHE A 24 3.692 6.315 -4.239 1.00 0.00 O ATOM 305 CB PHE A 24 4.090 7.399 -1.802 1.00 0.00 C ATOM 306 CG PHE A 24 3.910 8.082 -0.444 1.00 0.00 C ATOM 307 CD1 PHE A 24 2.670 8.465 -0.035 1.00 0.00 C ATOM 308 CD2 PHE A 24 4.988 8.307 0.353 1.00 0.00 C ATOM 309 CE1 PHE A 24 2.503 9.099 1.224 1.00 0.00 C ATOM 310 CE2 PHE A 24 4.821 8.941 1.612 1.00 0.00 C ATOM 311 CZ PHE A 24 3.581 9.324 2.021 1.00 0.00 C ATOM 0 H PHE A 24 1.902 8.575 -2.819 1.00 0.00 H new ATOM 0 HA PHE A 24 4.836 9.017 -3.068 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.342 6.613 -1.904 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.066 6.915 -1.827 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.813 8.287 -0.668 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.972 8.003 0.028 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.519 9.403 1.549 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.678 9.119 2.245 1.00 0.00 H new ATOM 0 HZ PHE A 24 3.453 9.807 2.979 1.00 0.00 H new ATOM 321 N PRO A 25 4.106 8.231 -5.429 1.00 0.00 N ATOM 322 CA PRO A 25 4.070 7.577 -6.726 1.00 0.00 C ATOM 323 C PRO A 25 5.345 6.766 -6.967 1.00 0.00 C ATOM 324 O PRO A 25 5.303 5.710 -7.597 1.00 0.00 O ATOM 325 CB PRO A 25 3.885 8.704 -7.729 1.00 0.00 C ATOM 326 CG PRO A 25 4.290 9.978 -7.004 1.00 0.00 C ATOM 327 CD PRO A 25 4.367 9.664 -5.519 1.00 0.00 C ATOM 0 HA PRO A 25 3.262 6.851 -6.809 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.502 8.545 -8.613 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.850 8.759 -8.068 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.253 10.335 -7.369 1.00 0.00 H new ATOM 0 HG3 PRO A 25 3.565 10.770 -7.190 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.347 9.914 -5.112 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.631 10.237 -4.955 1.00 0.00 H new ATOM 335 N GLN A 26 6.448 7.289 -6.452 1.00 0.00 N ATOM 336 CA GLN A 26 7.732 6.626 -6.603 1.00 0.00 C ATOM 337 C GLN A 26 7.589 5.126 -6.342 1.00 0.00 C ATOM 338 O GLN A 26 8.206 4.311 -7.026 1.00 0.00 O ATOM 339 CB GLN A 26 8.781 7.246 -5.678 1.00 0.00 C ATOM 340 CG GLN A 26 8.285 7.279 -4.231 1.00 0.00 C ATOM 341 CD GLN A 26 9.435 7.569 -3.264 1.00 0.00 C ATOM 342 OE1 GLN A 26 10.602 7.409 -3.581 1.00 0.00 O ATOM 343 NE2 GLN A 26 9.041 8.002 -2.070 1.00 0.00 N ATOM 0 H GLN A 26 6.479 8.165 -5.930 1.00 0.00 H new ATOM 0 HA GLN A 26 8.072 6.765 -7.629 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.706 6.673 -5.736 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.011 8.258 -6.010 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.514 8.042 -4.124 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.825 6.324 -3.979 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.047 8.114 -1.871 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.733 8.222 -1.354 1.00 0.00 H new ATOM 352 N VAL A 27 6.771 4.805 -5.351 1.00 0.00 N ATOM 353 CA VAL A 27 6.538 3.417 -4.991 1.00 0.00 C ATOM 354 C VAL A 27 5.514 2.810 -5.951 1.00 0.00 C ATOM 355 O VAL A 27 4.548 3.470 -6.333 1.00 0.00 O ATOM 356 CB VAL A 27 6.113 3.321 -3.524 1.00 0.00 C ATOM 357 CG1 VAL A 27 4.822 4.103 -3.275 1.00 0.00 C ATOM 358 CG2 VAL A 27 5.962 1.861 -3.092 1.00 0.00 C ATOM 0 H VAL A 27 6.261 5.483 -4.785 1.00 0.00 H new ATOM 0 HA VAL A 27 7.457 2.838 -5.088 1.00 0.00 H new ATOM 0 HB VAL A 27 6.899 3.771 -2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.542 4.018 -2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.978 5.152 -3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.025 3.696 -3.897 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.659 1.821 -2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.205 1.376 -3.708 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.914 1.345 -3.214 1.00 0.00 H new ATOM 368 N PRO A 28 5.766 1.527 -6.324 1.00 0.00 N ATOM 369 CA PRO A 28 4.876 0.823 -7.233 1.00 0.00 C ATOM 370 C PRO A 28 3.589 0.401 -6.523 1.00 0.00 C ATOM 371 O PRO A 28 3.620 -0.006 -5.362 1.00 0.00 O ATOM 372 CB PRO A 28 5.688 -0.357 -7.743 1.00 0.00 C ATOM 373 CG PRO A 28 6.830 -0.535 -6.755 1.00 0.00 C ATOM 374 CD PRO A 28 6.899 0.714 -5.892 1.00 0.00 C ATOM 0 HA PRO A 28 4.541 1.447 -8.062 1.00 0.00 H new ATOM 0 HB2 PRO A 28 5.076 -1.257 -7.799 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.066 -0.166 -8.747 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.666 -1.418 -6.137 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.771 -0.687 -7.283 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.828 0.468 -4.833 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.842 1.242 -6.034 1.00 0.00 H new ATOM 382 N TYR A 29 2.486 0.512 -7.249 1.00 0.00 N ATOM 383 CA TYR A 29 1.190 0.146 -6.703 1.00 0.00 C ATOM 384 C TYR A 29 1.181 -1.313 -6.243 1.00 0.00 C ATOM 385 O TYR A 29 0.781 -1.610 -5.118 1.00 0.00 O ATOM 386 CB TYR A 29 0.188 0.314 -7.847 1.00 0.00 C ATOM 387 CG TYR A 29 -1.216 0.714 -7.390 1.00 0.00 C ATOM 388 CD1 TYR A 29 -2.065 -0.235 -6.858 1.00 0.00 C ATOM 389 CD2 TYR A 29 -1.634 2.024 -7.511 1.00 0.00 C ATOM 390 CE1 TYR A 29 -3.387 0.142 -6.428 1.00 0.00 C ATOM 391 CE2 TYR A 29 -2.956 2.401 -7.081 1.00 0.00 C ATOM 392 CZ TYR A 29 -3.767 1.441 -6.561 1.00 0.00 C ATOM 393 OH TYR A 29 -5.015 1.796 -6.155 1.00 0.00 O ATOM 0 H TYR A 29 2.463 0.850 -8.211 1.00 0.00 H new ATOM 0 HA TYR A 29 0.948 0.767 -5.840 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.563 1.070 -8.537 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.125 -0.622 -8.402 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.738 -1.260 -6.764 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.970 2.766 -7.928 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -4.061 -0.590 -6.009 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.295 3.422 -7.169 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.303 1.205 -5.428 1.00 0.00 H new ATOM 403 N HIS A 30 1.627 -2.185 -7.136 1.00 0.00 N ATOM 404 CA HIS A 30 1.675 -3.605 -6.835 1.00 0.00 C ATOM 405 C HIS A 30 2.141 -3.809 -5.392 1.00 0.00 C ATOM 406 O HIS A 30 1.365 -4.243 -4.541 1.00 0.00 O ATOM 407 CB HIS A 30 2.547 -4.346 -7.850 1.00 0.00 C ATOM 408 CG HIS A 30 3.237 -5.568 -7.292 1.00 0.00 C ATOM 409 ND1 HIS A 30 2.570 -6.751 -7.029 1.00 0.00 N ATOM 410 CD2 HIS A 30 4.541 -5.776 -6.949 1.00 0.00 C ATOM 411 CE1 HIS A 30 3.442 -7.626 -6.550 1.00 0.00 C ATOM 412 NE2 HIS A 30 4.663 -7.020 -6.501 1.00 0.00 N ATOM 0 H HIS A 30 1.958 -1.935 -8.068 1.00 0.00 H new ATOM 0 HA HIS A 30 0.676 -4.032 -6.921 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.928 -4.646 -8.695 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.301 -3.660 -8.235 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.338 -5.052 -7.028 1.00 0.00 H new ATOM 0 HE1 HIS A 30 3.224 -8.641 -6.251 1.00 0.00 H new ATOM 0 HE2 HIS A 30 5.527 -7.451 -6.174 1.00 0.00 H new ATOM 420 N LEU A 31 3.405 -3.487 -5.161 1.00 0.00 N ATOM 421 CA LEU A 31 3.983 -3.629 -3.836 1.00 0.00 C ATOM 422 C LEU A 31 3.041 -3.007 -2.804 1.00 0.00 C ATOM 423 O LEU A 31 2.599 -3.682 -1.875 1.00 0.00 O ATOM 424 CB LEU A 31 5.399 -3.050 -3.805 1.00 0.00 C ATOM 425 CG LEU A 31 6.529 -4.022 -4.151 1.00 0.00 C ATOM 426 CD1 LEU A 31 7.875 -3.298 -4.212 1.00 0.00 C ATOM 427 CD2 LEU A 31 6.556 -5.201 -3.176 1.00 0.00 C ATOM 0 H LEU A 31 4.045 -3.128 -5.869 1.00 0.00 H new ATOM 0 HA LEU A 31 4.088 -4.682 -3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.442 -2.211 -4.500 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.584 -2.648 -2.809 1.00 0.00 H new ATOM 0 HG LEU A 31 6.337 -4.430 -5.144 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.661 -4.011 -4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.836 -2.521 -4.976 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.088 -2.845 -3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.368 -5.877 -3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.711 -4.831 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.608 -5.736 -3.226 1.00 0.00 H new ATOM 439 N VAL A 32 2.762 -1.727 -3.000 1.00 0.00 N ATOM 440 CA VAL A 32 1.881 -1.006 -2.097 1.00 0.00 C ATOM 441 C VAL A 32 0.688 -1.894 -1.739 1.00 0.00 C ATOM 442 O VAL A 32 0.473 -2.209 -0.570 1.00 0.00 O ATOM 443 CB VAL A 32 1.467 0.328 -2.724 1.00 0.00 C ATOM 444 CG1 VAL A 32 0.147 0.825 -2.132 1.00 0.00 C ATOM 445 CG2 VAL A 32 2.570 1.375 -2.562 1.00 0.00 C ATOM 0 H VAL A 32 3.131 -1.170 -3.771 1.00 0.00 H new ATOM 0 HA VAL A 32 2.399 -0.767 -1.168 1.00 0.00 H new ATOM 0 HB VAL A 32 1.315 0.165 -3.791 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.125 1.774 -2.594 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.636 0.091 -2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.260 0.964 -1.057 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.251 2.313 -3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.768 1.534 -1.502 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.478 1.025 -3.053 1.00 0.00 H new ATOM 455 N LEU A 33 -0.057 -2.272 -2.767 1.00 0.00 N ATOM 456 CA LEU A 33 -1.223 -3.118 -2.576 1.00 0.00 C ATOM 457 C LEU A 33 -0.902 -4.195 -1.538 1.00 0.00 C ATOM 458 O LEU A 33 -1.411 -4.155 -0.419 1.00 0.00 O ATOM 459 CB LEU A 33 -1.704 -3.679 -3.915 1.00 0.00 C ATOM 460 CG LEU A 33 -2.629 -2.772 -4.729 1.00 0.00 C ATOM 461 CD1 LEU A 33 -2.885 -3.356 -6.120 1.00 0.00 C ATOM 462 CD2 LEU A 33 -3.931 -2.497 -3.974 1.00 0.00 C ATOM 0 H LEU A 33 0.124 -2.008 -3.735 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.056 -2.535 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.830 -3.913 -4.523 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.223 -4.619 -3.727 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.130 -1.813 -4.869 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.545 -2.692 -6.678 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.939 -3.457 -6.652 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.353 -4.335 -6.023 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.570 -1.850 -4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.446 -3.438 -3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.706 -2.006 -3.027 1.00 0.00 H new ATOM 474 N GLN A 34 -0.058 -5.132 -1.945 1.00 0.00 N ATOM 475 CA GLN A 34 0.337 -6.218 -1.065 1.00 0.00 C ATOM 476 C GLN A 34 0.536 -5.699 0.361 1.00 0.00 C ATOM 477 O GLN A 34 -0.253 -6.008 1.253 1.00 0.00 O ATOM 478 CB GLN A 34 1.603 -6.907 -1.578 1.00 0.00 C ATOM 479 CG GLN A 34 1.647 -8.371 -1.136 1.00 0.00 C ATOM 480 CD GLN A 34 2.816 -8.620 -0.180 1.00 0.00 C ATOM 481 OE1 GLN A 34 2.642 -8.905 0.993 1.00 0.00 O ATOM 482 NE2 GLN A 34 4.013 -8.497 -0.746 1.00 0.00 N ATOM 0 H GLN A 34 0.363 -5.161 -2.873 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.462 -6.960 -1.054 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.637 -6.851 -2.666 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.483 -6.384 -1.204 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.710 -8.635 -0.647 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.743 -9.016 -2.010 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.087 -8.256 -1.734 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.857 -8.644 -0.192 1.00 0.00 H new ATOM 491 N ASP A 35 1.594 -4.920 0.531 1.00 0.00 N ATOM 492 CA ASP A 35 1.906 -4.356 1.833 1.00 0.00 C ATOM 493 C ASP A 35 0.619 -3.847 2.486 1.00 0.00 C ATOM 494 O ASP A 35 0.434 -3.985 3.694 1.00 0.00 O ATOM 495 CB ASP A 35 2.870 -3.175 1.705 1.00 0.00 C ATOM 496 CG ASP A 35 3.792 -2.959 2.907 1.00 0.00 C ATOM 497 OD1 ASP A 35 4.848 -3.628 2.939 1.00 0.00 O ATOM 498 OD2 ASP A 35 3.421 -2.131 3.766 1.00 0.00 O ATOM 0 H ASP A 35 2.246 -4.666 -0.211 1.00 0.00 H new ATOM 0 HA ASP A 35 2.370 -5.137 2.436 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.484 -3.322 0.817 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.289 -2.267 1.544 1.00 0.00 H new ATOM 503 N LEU A 36 -0.238 -3.268 1.657 1.00 0.00 N ATOM 504 CA LEU A 36 -1.502 -2.738 2.138 1.00 0.00 C ATOM 505 C LEU A 36 -2.302 -3.861 2.800 1.00 0.00 C ATOM 506 O LEU A 36 -2.791 -3.705 3.919 1.00 0.00 O ATOM 507 CB LEU A 36 -2.253 -2.033 1.007 1.00 0.00 C ATOM 508 CG LEU A 36 -2.745 -0.616 1.309 1.00 0.00 C ATOM 509 CD1 LEU A 36 -1.583 0.379 1.311 1.00 0.00 C ATOM 510 CD2 LEU A 36 -3.853 -0.202 0.339 1.00 0.00 C ATOM 0 H LEU A 36 -0.081 -3.155 0.656 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.330 -1.977 2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.600 -1.991 0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.113 -2.644 0.733 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.175 -0.610 2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.960 1.378 1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.859 0.091 2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.101 0.378 0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.185 0.809 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.472 -0.229 -0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.693 -0.890 0.431 1.00 0.00 H new ATOM 522 N GLN A 37 -2.412 -4.969 2.082 1.00 0.00 N ATOM 523 CA GLN A 37 -3.145 -6.119 2.586 1.00 0.00 C ATOM 524 C GLN A 37 -2.489 -6.648 3.863 1.00 0.00 C ATOM 525 O GLN A 37 -3.077 -7.459 4.577 1.00 0.00 O ATOM 526 CB GLN A 37 -3.242 -7.216 1.525 1.00 0.00 C ATOM 527 CG GLN A 37 -4.369 -6.920 0.532 1.00 0.00 C ATOM 528 CD GLN A 37 -5.597 -7.785 0.822 1.00 0.00 C ATOM 529 OE1 GLN A 37 -5.834 -8.802 0.192 1.00 0.00 O ATOM 530 NE2 GLN A 37 -6.361 -7.326 1.809 1.00 0.00 N ATOM 0 H GLN A 37 -2.006 -5.095 1.155 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.160 -5.801 2.826 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.295 -7.296 0.992 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.420 -8.178 2.006 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.641 -5.866 0.589 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.021 -7.105 -0.484 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.104 -6.467 2.295 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.204 -7.833 2.080 1.00 0.00 H new ATOM 539 N LEU A 38 -1.279 -6.168 4.112 1.00 0.00 N ATOM 540 CA LEU A 38 -0.537 -6.583 5.290 1.00 0.00 C ATOM 541 C LEU A 38 -0.718 -5.540 6.395 1.00 0.00 C ATOM 542 O LEU A 38 -1.277 -5.838 7.449 1.00 0.00 O ATOM 543 CB LEU A 38 0.926 -6.853 4.934 1.00 0.00 C ATOM 544 CG LEU A 38 1.177 -7.494 3.567 1.00 0.00 C ATOM 545 CD1 LEU A 38 2.563 -8.137 3.509 1.00 0.00 C ATOM 546 CD2 LEU A 38 0.068 -8.488 3.217 1.00 0.00 C ATOM 0 H LEU A 38 -0.794 -5.496 3.518 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.927 -7.526 5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.469 -5.909 4.976 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.352 -7.500 5.700 1.00 0.00 H new ATOM 0 HG LEU A 38 1.156 -6.708 2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.715 -8.585 2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.324 -7.377 3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.639 -8.908 4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.270 -8.930 2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.033 -9.274 3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.890 -7.969 3.189 1.00 0.00 H new ATOM 558 N THR A 39 -0.235 -4.338 6.116 1.00 0.00 N ATOM 559 CA THR A 39 -0.337 -3.250 7.073 1.00 0.00 C ATOM 560 C THR A 39 -1.804 -2.911 7.341 1.00 0.00 C ATOM 561 O THR A 39 -2.184 -2.636 8.478 1.00 0.00 O ATOM 562 CB THR A 39 0.471 -2.068 6.532 1.00 0.00 C ATOM 563 OG1 THR A 39 -0.072 -1.841 5.234 1.00 0.00 O ATOM 564 CG2 THR A 39 1.933 -2.431 6.266 1.00 0.00 C ATOM 0 H THR A 39 0.228 -4.094 5.241 1.00 0.00 H new ATOM 0 HA THR A 39 0.080 -3.533 8.040 1.00 0.00 H new ATOM 0 HB THR A 39 0.426 -1.242 7.242 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.407 -2.390 4.579 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.461 -1.557 5.884 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.401 -2.760 7.194 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.980 -3.234 5.531 1.00 0.00 H new ATOM 572 N ARG A 40 -2.590 -2.941 6.275 1.00 0.00 N ATOM 573 CA ARG A 40 -4.008 -2.641 6.381 1.00 0.00 C ATOM 574 C ARG A 40 -4.211 -1.215 6.897 1.00 0.00 C ATOM 575 O ARG A 40 -5.116 -0.962 7.691 1.00 0.00 O ATOM 576 CB ARG A 40 -4.710 -3.622 7.322 1.00 0.00 C ATOM 577 CG ARG A 40 -4.698 -5.039 6.745 1.00 0.00 C ATOM 578 CD ARG A 40 -3.984 -6.009 7.689 1.00 0.00 C ATOM 579 NE ARG A 40 -4.977 -6.848 8.397 1.00 0.00 N ATOM 580 CZ ARG A 40 -4.658 -7.834 9.247 1.00 0.00 C ATOM 581 NH1 ARG A 40 -3.371 -8.109 9.501 1.00 0.00 N ATOM 582 NH2 ARG A 40 -5.625 -8.543 9.844 1.00 0.00 N ATOM 0 H ARG A 40 -2.272 -3.169 5.333 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.443 -2.736 5.386 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.215 -3.617 8.293 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.739 -3.301 7.486 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.721 -5.376 6.577 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.200 -5.037 5.775 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.298 -6.641 7.124 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.385 -5.453 8.410 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.966 -6.664 8.227 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.635 -7.568 9.048 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.128 -8.859 10.148 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.604 -8.333 9.652 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.382 -9.293 10.491 1.00 0.00 H new ATOM 596 N SER A 41 -3.354 -0.321 6.426 1.00 0.00 N ATOM 597 CA SER A 41 -3.428 1.072 6.830 1.00 0.00 C ATOM 598 C SER A 41 -2.461 1.912 5.993 1.00 0.00 C ATOM 599 O SER A 41 -1.248 1.841 6.182 1.00 0.00 O ATOM 600 CB SER A 41 -3.116 1.231 8.320 1.00 0.00 C ATOM 601 OG SER A 41 -4.259 0.985 9.134 1.00 0.00 O ATOM 0 H SER A 41 -2.605 -0.535 5.768 1.00 0.00 H new ATOM 0 HA SER A 41 -4.446 1.424 6.660 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.318 0.543 8.599 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.748 2.240 8.508 1.00 0.00 H new ATOM 0 HG SER A 41 -4.730 0.191 8.805 1.00 0.00 H new ATOM 607 N VAL A 42 -3.036 2.688 5.085 1.00 0.00 N ATOM 608 CA VAL A 42 -2.240 3.541 4.218 1.00 0.00 C ATOM 609 C VAL A 42 -1.123 4.191 5.036 1.00 0.00 C ATOM 610 O VAL A 42 -0.058 4.501 4.503 1.00 0.00 O ATOM 611 CB VAL A 42 -3.141 4.561 3.519 1.00 0.00 C ATOM 612 CG1 VAL A 42 -4.384 3.886 2.936 1.00 0.00 C ATOM 613 CG2 VAL A 42 -3.527 5.695 4.470 1.00 0.00 C ATOM 0 H VAL A 42 -4.043 2.744 4.931 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.767 2.953 3.432 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.577 4.995 2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.007 4.633 2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.082 3.132 2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.950 3.411 3.738 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.167 6.406 3.948 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.063 5.285 5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.626 6.203 4.815 1.00 0.00 H new ATOM 623 N GLU A 43 -1.403 4.379 6.317 1.00 0.00 N ATOM 624 CA GLU A 43 -0.434 4.987 7.214 1.00 0.00 C ATOM 625 C GLU A 43 0.745 4.040 7.442 1.00 0.00 C ATOM 626 O GLU A 43 1.887 4.379 7.136 1.00 0.00 O ATOM 627 CB GLU A 43 -1.087 5.381 8.540 1.00 0.00 C ATOM 628 CG GLU A 43 -0.466 6.663 9.098 1.00 0.00 C ATOM 629 CD GLU A 43 0.430 6.361 10.301 1.00 0.00 C ATOM 630 OE1 GLU A 43 1.554 5.870 10.062 1.00 0.00 O ATOM 631 OE2 GLU A 43 -0.031 6.627 11.432 1.00 0.00 O ATOM 0 H GLU A 43 -2.287 4.121 6.756 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.057 5.898 6.748 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.157 5.525 8.393 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.970 4.572 9.261 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.117 7.157 8.321 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.255 7.355 9.393 1.00 0.00 H new ATOM 638 N ILE A 44 0.428 2.871 7.979 1.00 0.00 N ATOM 639 CA ILE A 44 1.447 1.872 8.253 1.00 0.00 C ATOM 640 C ILE A 44 2.158 1.504 6.948 1.00 0.00 C ATOM 641 O ILE A 44 3.307 1.065 6.966 1.00 0.00 O ATOM 642 CB ILE A 44 0.840 0.672 8.981 1.00 0.00 C ATOM 643 CG1 ILE A 44 0.381 1.060 10.389 1.00 0.00 C ATOM 644 CG2 ILE A 44 1.813 -0.508 9.001 1.00 0.00 C ATOM 645 CD1 ILE A 44 -1.019 0.513 10.679 1.00 0.00 C ATOM 0 H ILE A 44 -0.520 2.593 8.232 1.00 0.00 H new ATOM 0 HA ILE A 44 2.203 2.275 8.927 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.044 0.350 8.430 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.086 0.673 11.125 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.379 2.145 10.489 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.356 -1.348 9.525 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.048 -0.803 7.978 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.729 -0.216 9.514 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.322 0.803 11.685 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.726 0.921 9.956 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.008 -0.574 10.602 1.00 0.00 H new ATOM 657 N THR A 45 1.444 1.697 5.849 1.00 0.00 N ATOM 658 CA THR A 45 1.992 1.390 4.538 1.00 0.00 C ATOM 659 C THR A 45 3.119 2.365 4.190 1.00 0.00 C ATOM 660 O THR A 45 4.212 1.946 3.812 1.00 0.00 O ATOM 661 CB THR A 45 0.842 1.407 3.529 1.00 0.00 C ATOM 662 OG1 THR A 45 -0.255 0.843 4.244 1.00 0.00 O ATOM 663 CG2 THR A 45 1.068 0.436 2.368 1.00 0.00 C ATOM 0 H THR A 45 0.492 2.062 5.839 1.00 0.00 H new ATOM 0 HA THR A 45 2.444 0.398 4.521 1.00 0.00 H new ATOM 0 HB THR A 45 0.716 2.417 3.139 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.035 -0.074 4.510 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.223 0.487 1.681 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.982 0.707 1.840 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.160 -0.579 2.755 1.00 0.00 H new ATOM 671 N THR A 46 2.814 3.647 4.331 1.00 0.00 N ATOM 672 CA THR A 46 3.788 4.684 4.036 1.00 0.00 C ATOM 673 C THR A 46 4.910 4.673 5.076 1.00 0.00 C ATOM 674 O THR A 46 6.057 4.984 4.759 1.00 0.00 O ATOM 675 CB THR A 46 3.046 6.020 3.957 1.00 0.00 C ATOM 676 OG1 THR A 46 2.234 6.036 5.128 1.00 0.00 O ATOM 677 CG2 THR A 46 2.040 6.064 2.806 1.00 0.00 C ATOM 0 H THR A 46 1.907 3.991 4.645 1.00 0.00 H new ATOM 0 HA THR A 46 4.275 4.508 3.077 1.00 0.00 H new ATOM 0 HB THR A 46 3.767 6.829 3.840 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.500 5.302 5.721 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.542 7.033 2.795 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.562 5.914 1.861 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.299 5.276 2.940 1.00 0.00 H new ATOM 685 N ASP A 47 4.540 4.311 6.295 1.00 0.00 N ATOM 686 CA ASP A 47 5.502 4.255 7.383 1.00 0.00 C ATOM 687 C ASP A 47 6.737 3.477 6.927 1.00 0.00 C ATOM 688 O ASP A 47 7.830 3.673 7.457 1.00 0.00 O ATOM 689 CB ASP A 47 4.915 3.538 8.601 1.00 0.00 C ATOM 690 CG ASP A 47 5.068 4.284 9.927 1.00 0.00 C ATOM 691 OD1 ASP A 47 4.363 5.304 10.089 1.00 0.00 O ATOM 692 OD2 ASP A 47 5.887 3.819 10.749 1.00 0.00 O ATOM 0 H ASP A 47 3.588 4.054 6.554 1.00 0.00 H new ATOM 0 HA ASP A 47 5.761 5.278 7.656 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.855 3.359 8.422 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.391 2.562 8.694 1.00 0.00 H new ATOM 697 N ASN A 48 6.523 2.609 5.948 1.00 0.00 N ATOM 698 CA ASN A 48 7.606 1.801 5.414 1.00 0.00 C ATOM 699 C ASN A 48 8.396 2.624 4.394 1.00 0.00 C ATOM 700 O ASN A 48 9.616 2.500 4.302 1.00 0.00 O ATOM 701 CB ASN A 48 7.067 0.558 4.704 1.00 0.00 C ATOM 702 CG ASN A 48 5.890 -0.046 5.473 1.00 0.00 C ATOM 703 OD1 ASN A 48 5.948 -0.270 6.671 1.00 0.00 O ATOM 704 ND2 ASN A 48 4.823 -0.297 4.720 1.00 0.00 N ATOM 0 H ASN A 48 5.615 2.448 5.511 1.00 0.00 H new ATOM 0 HA ASN A 48 8.240 1.494 6.246 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.750 0.820 3.695 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.861 -0.183 4.607 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.986 -0.701 5.140 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.842 -0.085 3.722 1.00 0.00 H new ATOM 711 N ILE A 49 7.667 3.445 3.652 1.00 0.00 N ATOM 712 CA ILE A 49 8.284 4.287 2.642 1.00 0.00 C ATOM 713 C ILE A 49 8.883 5.525 3.313 1.00 0.00 C ATOM 714 O ILE A 49 10.077 5.789 3.185 1.00 0.00 O ATOM 715 CB ILE A 49 7.283 4.613 1.532 1.00 0.00 C ATOM 716 CG1 ILE A 49 6.639 3.338 0.983 1.00 0.00 C ATOM 717 CG2 ILE A 49 7.940 5.444 0.428 1.00 0.00 C ATOM 718 CD1 ILE A 49 5.112 3.447 0.994 1.00 0.00 C ATOM 0 H ILE A 49 6.655 3.545 3.730 1.00 0.00 H new ATOM 0 HA ILE A 49 9.104 3.759 2.155 1.00 0.00 H new ATOM 0 HB ILE A 49 6.484 5.219 1.959 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.987 3.159 -0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.951 2.482 1.582 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.207 5.662 -0.349 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.312 6.378 0.848 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.770 4.884 -0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.679 2.528 0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.766 3.601 2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.803 4.289 0.375 1.00 0.00 H new ATOM 730 N LEU A 50 8.025 6.253 4.014 1.00 0.00 N ATOM 731 CA LEU A 50 8.454 7.456 4.705 1.00 0.00 C ATOM 732 C LEU A 50 9.813 7.206 5.360 1.00 0.00 C ATOM 733 O LEU A 50 10.760 7.961 5.144 1.00 0.00 O ATOM 734 CB LEU A 50 7.376 7.925 5.684 1.00 0.00 C ATOM 735 CG LEU A 50 6.361 8.930 5.135 1.00 0.00 C ATOM 736 CD1 LEU A 50 4.929 8.431 5.339 1.00 0.00 C ATOM 737 CD2 LEU A 50 6.577 10.316 5.744 1.00 0.00 C ATOM 0 H LEU A 50 7.035 6.032 4.118 1.00 0.00 H new ATOM 0 HA LEU A 50 8.587 8.274 3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.834 7.050 6.042 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.868 8.371 6.548 1.00 0.00 H new ATOM 0 HG LEU A 50 6.520 9.022 4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.228 9.164 4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.797 7.482 4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.741 8.291 6.403 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.843 11.011 5.337 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.462 10.260 6.826 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.581 10.667 5.503 1.00 0.00 H new ATOM 749 N GLU A 51 9.867 6.142 6.148 1.00 0.00 N ATOM 750 CA GLU A 51 11.095 5.782 6.837 1.00 0.00 C ATOM 751 C GLU A 51 12.075 5.123 5.865 1.00 0.00 C ATOM 752 O GLU A 51 13.289 5.212 6.045 1.00 0.00 O ATOM 753 CB GLU A 51 10.808 4.868 8.030 1.00 0.00 C ATOM 754 CG GLU A 51 10.630 5.682 9.313 1.00 0.00 C ATOM 755 CD GLU A 51 11.789 5.438 10.282 1.00 0.00 C ATOM 756 OE1 GLU A 51 12.308 4.301 10.271 1.00 0.00 O ATOM 757 OE2 GLU A 51 12.130 6.395 11.010 1.00 0.00 O ATOM 0 H GLU A 51 9.080 5.518 6.325 1.00 0.00 H new ATOM 0 HA GLU A 51 11.552 6.693 7.222 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.908 4.284 7.837 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.627 4.159 8.155 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.572 6.743 9.070 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.688 5.412 9.791 1.00 0.00 H new ATOM 764 N GLY A 52 11.512 4.475 4.855 1.00 0.00 N ATOM 765 CA GLY A 52 12.321 3.801 3.854 1.00 0.00 C ATOM 766 C GLY A 52 12.671 2.379 4.299 1.00 0.00 C ATOM 767 O GLY A 52 13.662 2.168 4.995 1.00 0.00 O ATOM 0 H GLY A 52 10.505 4.403 4.709 1.00 0.00 H new ATOM 0 HA2 GLY A 52 11.781 3.767 2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.236 4.367 3.679 1.00 0.00 H new ATOM 771 N ARG A 53 11.836 1.440 3.877 1.00 0.00 N ATOM 772 CA ARG A 53 12.045 0.044 4.223 1.00 0.00 C ATOM 773 C ARG A 53 11.914 -0.837 2.979 1.00 0.00 C ATOM 774 O ARG A 53 12.840 -1.567 2.630 1.00 0.00 O ATOM 775 CB ARG A 53 11.036 -0.419 5.276 1.00 0.00 C ATOM 776 CG ARG A 53 11.744 -0.848 6.563 1.00 0.00 C ATOM 777 CD ARG A 53 11.233 -2.208 7.042 1.00 0.00 C ATOM 778 NE ARG A 53 12.197 -2.804 7.994 1.00 0.00 N ATOM 779 CZ ARG A 53 12.065 -4.024 8.532 1.00 0.00 C ATOM 780 NH1 ARG A 53 11.008 -4.785 8.216 1.00 0.00 N ATOM 781 NH2 ARG A 53 12.989 -4.483 9.386 1.00 0.00 N ATOM 0 H ARG A 53 11.014 1.618 3.299 1.00 0.00 H new ATOM 0 HA ARG A 53 13.050 -0.049 4.634 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.336 0.388 5.493 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.451 -1.251 4.884 1.00 0.00 H new ATOM 0 HG2 ARG A 53 12.819 -0.899 6.391 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.581 -0.100 7.339 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.261 -2.092 7.521 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.092 -2.873 6.190 1.00 0.00 H new ATOM 0 HE ARG A 53 13.013 -2.251 8.257 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.304 -4.435 7.566 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.908 -5.714 8.626 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.793 -3.904 9.627 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.888 -5.412 9.796 1.00 0.00 H new ATOM 795 N ILE A 54 10.755 -0.739 2.343 1.00 0.00 N ATOM 796 CA ILE A 54 10.491 -1.517 1.145 1.00 0.00 C ATOM 797 C ILE A 54 11.357 -0.991 -0.001 1.00 0.00 C ATOM 798 O ILE A 54 10.989 -0.027 -0.670 1.00 0.00 O ATOM 799 CB ILE A 54 8.993 -1.525 0.831 1.00 0.00 C ATOM 800 CG1 ILE A 54 8.200 -2.189 1.958 1.00 0.00 C ATOM 801 CG2 ILE A 54 8.721 -2.180 -0.525 1.00 0.00 C ATOM 802 CD1 ILE A 54 6.887 -1.446 2.216 1.00 0.00 C ATOM 0 H ILE A 54 9.989 -0.133 2.635 1.00 0.00 H new ATOM 0 HA ILE A 54 10.766 -2.560 1.300 1.00 0.00 H new ATOM 0 HB ILE A 54 8.652 -0.492 0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.990 -3.226 1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.799 -2.204 2.869 1.00 0.00 H new ATOM 0 HG21 ILE A 54 7.649 -2.173 -0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.239 -1.625 -1.307 1.00 0.00 H new ATOM 0 HG23 ILE A 54 9.081 -3.209 -0.511 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.343 -1.938 3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.102 -0.416 2.500 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.280 -1.454 1.310 1.00 0.00 H new ATOM 814 N GLN A 55 12.492 -1.648 -0.192 1.00 0.00 N ATOM 815 CA GLN A 55 13.413 -1.259 -1.246 1.00 0.00 C ATOM 816 C GLN A 55 13.754 -2.463 -2.125 1.00 0.00 C ATOM 817 O GLN A 55 14.342 -3.435 -1.653 1.00 0.00 O ATOM 818 CB GLN A 55 14.680 -0.631 -0.662 1.00 0.00 C ATOM 819 CG GLN A 55 14.480 0.862 -0.396 1.00 0.00 C ATOM 820 CD GLN A 55 15.165 1.707 -1.472 1.00 0.00 C ATOM 821 OE1 GLN A 55 14.873 1.610 -2.653 1.00 0.00 O ATOM 822 NE2 GLN A 55 16.089 2.540 -1.000 1.00 0.00 N ATOM 0 H GLN A 55 12.794 -2.447 0.365 1.00 0.00 H new ATOM 0 HA GLN A 55 12.926 -0.507 -1.867 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.946 -1.137 0.266 1.00 0.00 H new ATOM 0 HB3 GLN A 55 15.512 -0.773 -1.352 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.415 1.091 -0.372 1.00 0.00 H new ATOM 0 HG3 GLN A 55 14.883 1.118 0.584 1.00 0.00 H new ATOM 0 HE21 GLN A 55 16.284 2.571 0.001 1.00 0.00 H new ATOM 0 HE22 GLN A 55 16.602 3.148 -1.639 1.00 0.00 H new ATOM 831 N VAL A 56 13.369 -2.361 -3.389 1.00 0.00 N ATOM 832 CA VAL A 56 13.626 -3.430 -4.339 1.00 0.00 C ATOM 833 C VAL A 56 14.257 -2.843 -5.602 1.00 0.00 C ATOM 834 O VAL A 56 13.898 -1.747 -6.029 1.00 0.00 O ATOM 835 CB VAL A 56 12.335 -4.202 -4.619 1.00 0.00 C ATOM 836 CG1 VAL A 56 12.536 -5.215 -5.748 1.00 0.00 C ATOM 837 CG2 VAL A 56 11.821 -4.889 -3.352 1.00 0.00 C ATOM 0 H VAL A 56 12.881 -1.554 -3.777 1.00 0.00 H new ATOM 0 HA VAL A 56 14.335 -4.147 -3.925 1.00 0.00 H new ATOM 0 HB VAL A 56 11.580 -3.485 -4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.603 -5.750 -5.927 1.00 0.00 H new ATOM 0 HG12 VAL A 56 12.835 -4.692 -6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 56 13.313 -5.925 -5.466 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.903 -5.431 -3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.573 -5.588 -2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 56 11.620 -4.139 -2.587 1.00 0.00 H new ATOM 847 N PRO A 57 15.213 -3.619 -6.181 1.00 0.00 N ATOM 848 CA PRO A 57 15.898 -3.187 -7.388 1.00 0.00 C ATOM 849 C PRO A 57 14.992 -3.328 -8.613 1.00 0.00 C ATOM 850 O PRO A 57 13.774 -3.434 -8.479 1.00 0.00 O ATOM 851 CB PRO A 57 17.142 -4.057 -7.466 1.00 0.00 C ATOM 852 CG PRO A 57 16.873 -5.251 -6.564 1.00 0.00 C ATOM 853 CD PRO A 57 15.664 -4.923 -5.704 1.00 0.00 C ATOM 0 HA PRO A 57 16.167 -2.131 -7.364 1.00 0.00 H new ATOM 0 HB2 PRO A 57 17.331 -4.377 -8.491 1.00 0.00 H new ATOM 0 HB3 PRO A 57 18.024 -3.508 -7.135 1.00 0.00 H new ATOM 0 HG2 PRO A 57 16.687 -6.145 -7.159 1.00 0.00 H new ATOM 0 HG3 PRO A 57 17.741 -5.460 -5.939 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.884 -5.676 -5.814 1.00 0.00 H new ATOM 0 HD3 PRO A 57 15.928 -4.889 -4.647 1.00 0.00 H new ATOM 861 N PHE A 58 15.622 -3.324 -9.778 1.00 0.00 N ATOM 862 CA PHE A 58 14.888 -3.450 -11.026 1.00 0.00 C ATOM 863 C PHE A 58 13.704 -2.482 -11.066 1.00 0.00 C ATOM 864 O PHE A 58 13.761 -1.455 -11.740 1.00 0.00 O ATOM 865 CB PHE A 58 14.361 -4.885 -11.092 1.00 0.00 C ATOM 866 CG PHE A 58 15.143 -5.792 -12.044 1.00 0.00 C ATOM 867 CD1 PHE A 58 15.267 -5.455 -13.356 1.00 0.00 C ATOM 868 CD2 PHE A 58 15.713 -6.936 -11.579 1.00 0.00 C ATOM 869 CE1 PHE A 58 15.993 -6.297 -14.239 1.00 0.00 C ATOM 870 CE2 PHE A 58 16.438 -7.778 -12.462 1.00 0.00 C ATOM 871 CZ PHE A 58 16.563 -7.441 -13.774 1.00 0.00 C ATOM 0 H PHE A 58 16.633 -3.236 -9.884 1.00 0.00 H new ATOM 0 HA PHE A 58 15.541 -3.217 -11.867 1.00 0.00 H new ATOM 0 HB2 PHE A 58 14.387 -5.317 -10.092 1.00 0.00 H new ATOM 0 HB3 PHE A 58 13.317 -4.864 -11.403 1.00 0.00 H new ATOM 0 HD1 PHE A 58 14.813 -4.547 -13.726 1.00 0.00 H new ATOM 0 HD2 PHE A 58 15.614 -7.204 -10.537 1.00 0.00 H new ATOM 0 HE1 PHE A 58 16.093 -6.029 -15.280 1.00 0.00 H new ATOM 0 HE2 PHE A 58 16.890 -8.686 -12.092 1.00 0.00 H new ATOM 0 HZ PHE A 58 17.115 -8.082 -14.446 1.00 0.00 H new TER 881 PHE A 58