USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 499 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 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.3 K(o=-1.3,f=-3.5!) USER MOD Single : A 12 ASN : amide:sc= -0.49 X(o=-0.49,f=-0.14) USER MOD Single : A 17 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.102) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.166 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.096 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HE2:sc= -0.199 X(o=-0.2,f=-0.46) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 56:sc= 1.25 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.762 X(o=-0.76,f=-0.82) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0126 USER MOD Single : A 46 GLN : amide:sc= -0.0414 K(o=-0.041,f=-1) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 54 ASN : amide:sc= -0.0335 K(o=-0.033,f=-1) USER MOD Single : A 55 GLN : amide:sc= -0.0521 K(o=-0.052,f=-1.5!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.630 13.067 -16.021 1.00 0.00 N ATOM 2 CA GLY A 1 2.735 14.194 -15.840 1.00 0.00 C ATOM 3 C GLY A 1 1.974 14.538 -17.105 1.00 0.00 C ATOM 4 O GLY A 1 0.743 14.519 -17.122 1.00 0.00 O ATOM 0 H1 GLY A 1 4.127 12.871 -15.128 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.081 12.230 -16.303 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.325 13.291 -16.762 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.026 13.967 -15.044 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.310 15.062 -15.518 1.00 0.00 H new ATOM 8 N SER A 2 2.708 14.856 -18.167 1.00 0.00 N ATOM 9 CA SER A 2 2.094 15.212 -19.441 1.00 0.00 C ATOM 10 C SER A 2 2.369 14.143 -20.494 1.00 0.00 C ATOM 11 O SER A 2 1.463 13.710 -21.206 1.00 0.00 O ATOM 12 CB SER A 2 2.619 16.566 -19.924 1.00 0.00 C ATOM 13 OG SER A 2 1.759 17.128 -20.899 1.00 0.00 O ATOM 0 H SER A 2 3.728 14.874 -18.170 1.00 0.00 H new ATOM 0 HA SER A 2 1.017 15.281 -19.290 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.709 17.247 -19.078 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.618 16.444 -20.343 1.00 0.00 H new ATOM 0 HG SER A 2 2.116 17.993 -21.190 1.00 0.00 H new ATOM 19 N SER A 3 3.626 13.721 -20.586 1.00 0.00 N ATOM 20 CA SER A 3 4.022 12.705 -21.554 1.00 0.00 C ATOM 21 C SER A 3 4.507 11.442 -20.848 1.00 0.00 C ATOM 22 O SER A 3 4.869 11.474 -19.673 1.00 0.00 O ATOM 23 CB SER A 3 5.123 13.245 -22.470 1.00 0.00 C ATOM 24 OG SER A 3 4.604 14.195 -23.384 1.00 0.00 O ATOM 0 H SER A 3 4.387 14.067 -20.002 1.00 0.00 H new ATOM 0 HA SER A 3 3.149 12.452 -22.156 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.908 13.705 -21.869 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.582 12.422 -23.017 1.00 0.00 H new ATOM 0 HG SER A 3 5.327 14.526 -23.957 1.00 0.00 H new ATOM 30 N GLY A 4 4.510 10.329 -21.576 1.00 0.00 N ATOM 31 CA GLY A 4 4.951 9.070 -21.005 1.00 0.00 C ATOM 32 C GLY A 4 3.802 8.114 -20.752 1.00 0.00 C ATOM 33 O GLY A 4 2.726 8.526 -20.318 1.00 0.00 O ATOM 0 H GLY A 4 4.215 10.277 -22.551 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.668 8.601 -21.678 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.472 9.263 -20.067 1.00 0.00 H new ATOM 37 N SER A 5 4.029 6.833 -21.026 1.00 0.00 N ATOM 38 CA SER A 5 3.002 5.816 -20.831 1.00 0.00 C ATOM 39 C SER A 5 3.485 4.734 -19.870 1.00 0.00 C ATOM 40 O SER A 5 2.878 4.501 -18.824 1.00 0.00 O ATOM 41 CB SER A 5 2.614 5.189 -22.171 1.00 0.00 C ATOM 42 OG SER A 5 2.037 6.151 -23.037 1.00 0.00 O ATOM 0 H SER A 5 4.915 6.475 -21.384 1.00 0.00 H new ATOM 0 HA SER A 5 2.126 6.298 -20.397 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.496 4.754 -22.641 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.908 4.375 -22.004 1.00 0.00 H new ATOM 0 HG SER A 5 1.799 5.725 -23.887 1.00 0.00 H new ATOM 48 N SER A 6 4.581 4.076 -20.233 1.00 0.00 N ATOM 49 CA SER A 6 5.144 3.015 -19.406 1.00 0.00 C ATOM 50 C SER A 6 5.387 3.507 -17.983 1.00 0.00 C ATOM 51 O SER A 6 5.596 4.697 -17.752 1.00 0.00 O ATOM 52 CB SER A 6 6.454 2.507 -20.013 1.00 0.00 C ATOM 53 OG SER A 6 7.385 3.563 -20.171 1.00 0.00 O ATOM 0 H SER A 6 5.097 4.259 -21.094 1.00 0.00 H new ATOM 0 HA SER A 6 4.426 2.196 -19.371 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.880 1.735 -19.372 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.255 2.045 -20.980 1.00 0.00 H new ATOM 0 HG SER A 6 8.214 3.213 -20.559 1.00 0.00 H new ATOM 59 N GLY A 7 5.358 2.580 -17.030 1.00 0.00 N ATOM 60 CA GLY A 7 5.576 2.937 -15.640 1.00 0.00 C ATOM 61 C GLY A 7 6.715 2.158 -15.013 1.00 0.00 C ATOM 62 O GLY A 7 7.319 1.299 -15.657 1.00 0.00 O ATOM 0 H GLY A 7 5.187 1.588 -17.196 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.788 4.004 -15.571 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.662 2.757 -15.074 1.00 0.00 H new ATOM 66 N THR A 8 7.012 2.458 -13.753 1.00 0.00 N ATOM 67 CA THR A 8 8.088 1.782 -13.039 1.00 0.00 C ATOM 68 C THR A 8 7.551 0.633 -12.194 1.00 0.00 C ATOM 69 O THR A 8 6.440 0.703 -11.669 1.00 0.00 O ATOM 70 CB THR A 8 8.859 2.757 -12.129 1.00 0.00 C ATOM 71 OG1 THR A 8 9.080 3.996 -12.814 1.00 0.00 O ATOM 72 CG2 THR A 8 10.192 2.162 -11.704 1.00 0.00 C ATOM 0 H THR A 8 6.522 3.165 -13.205 1.00 0.00 H new ATOM 0 HA THR A 8 8.768 1.387 -13.794 1.00 0.00 H new ATOM 0 HB THR A 8 8.259 2.937 -11.237 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.569 4.611 -12.228 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.718 2.869 -11.062 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.019 1.235 -11.157 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.796 1.955 -12.587 1.00 0.00 H new ATOM 80 N ALA A 9 8.346 -0.424 -12.066 1.00 0.00 N ATOM 81 CA ALA A 9 7.950 -1.587 -11.281 1.00 0.00 C ATOM 82 C ALA A 9 8.186 -1.351 -9.793 1.00 0.00 C ATOM 83 O ALA A 9 8.127 -2.283 -8.991 1.00 0.00 O ATOM 84 CB ALA A 9 8.708 -2.821 -11.748 1.00 0.00 C ATOM 0 H ALA A 9 9.268 -0.499 -12.496 1.00 0.00 H new ATOM 0 HA ALA A 9 6.883 -1.750 -11.432 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.403 -3.682 -11.153 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.486 -3.008 -12.799 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.779 -2.658 -11.627 1.00 0.00 H new ATOM 90 N GLN A 10 8.454 -0.101 -9.432 1.00 0.00 N ATOM 91 CA GLN A 10 8.700 0.256 -8.039 1.00 0.00 C ATOM 92 C GLN A 10 7.511 -0.121 -7.162 1.00 0.00 C ATOM 93 O GLN A 10 6.361 -0.130 -7.603 1.00 0.00 O ATOM 94 CB GLN A 10 8.984 1.754 -7.917 1.00 0.00 C ATOM 95 CG GLN A 10 10.436 2.121 -8.180 1.00 0.00 C ATOM 96 CD GLN A 10 11.286 2.078 -6.925 1.00 0.00 C ATOM 97 OE1 GLN A 10 10.807 2.367 -5.828 1.00 0.00 O ATOM 98 NE2 GLN A 10 12.554 1.716 -7.080 1.00 0.00 N ATOM 0 H GLN A 10 8.506 0.682 -10.084 1.00 0.00 H new ATOM 0 HA GLN A 10 9.572 -0.301 -7.696 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.348 2.294 -8.619 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.709 2.087 -6.916 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.852 1.436 -8.919 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.482 3.121 -8.611 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.909 1.485 -8.008 1.00 0.00 H new ATOM 0 HE22 GLN A 10 13.173 1.669 -6.271 1.00 0.00 H new ATOM 107 N PRO A 11 7.791 -0.442 -5.890 1.00 0.00 N ATOM 108 CA PRO A 11 6.756 -0.826 -4.925 1.00 0.00 C ATOM 109 C PRO A 11 5.863 0.347 -4.536 1.00 0.00 C ATOM 110 O PRO A 11 4.661 0.182 -4.330 1.00 0.00 O ATOM 111 CB PRO A 11 7.562 -1.309 -3.716 1.00 0.00 C ATOM 112 CG PRO A 11 8.869 -0.602 -3.825 1.00 0.00 C ATOM 113 CD PRO A 11 9.138 -0.454 -5.297 1.00 0.00 C ATOM 0 HA PRO A 11 6.078 -1.577 -5.330 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.057 -1.066 -2.781 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.694 -2.391 -3.735 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.828 0.371 -3.336 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.662 -1.170 -3.339 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.682 0.465 -5.516 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.739 -1.279 -5.681 1.00 0.00 H new ATOM 121 N ASN A 12 6.458 1.531 -4.437 1.00 0.00 N ATOM 122 CA ASN A 12 5.714 2.732 -4.072 1.00 0.00 C ATOM 123 C ASN A 12 5.119 3.399 -5.308 1.00 0.00 C ATOM 124 O ASN A 12 3.949 3.781 -5.317 1.00 0.00 O ATOM 125 CB ASN A 12 6.625 3.716 -3.336 1.00 0.00 C ATOM 126 CG ASN A 12 7.707 3.016 -2.537 1.00 0.00 C ATOM 127 OD1 ASN A 12 8.875 3.405 -2.580 1.00 0.00 O ATOM 128 ND2 ASN A 12 7.324 1.978 -1.804 1.00 0.00 N ATOM 0 H ASN A 12 7.452 1.685 -4.604 1.00 0.00 H new ATOM 0 HA ASN A 12 4.898 2.438 -3.411 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.088 4.388 -4.058 1.00 0.00 H new ATOM 0 HB3 ASN A 12 6.024 4.332 -2.667 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.008 1.467 -1.246 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.345 1.691 -1.799 1.00 0.00 H new ATOM 135 N ALA A 13 5.932 3.536 -6.350 1.00 0.00 N ATOM 136 CA ALA A 13 5.486 4.154 -7.592 1.00 0.00 C ATOM 137 C ALA A 13 4.135 3.597 -8.028 1.00 0.00 C ATOM 138 O ALA A 13 3.172 4.345 -8.202 1.00 0.00 O ATOM 139 CB ALA A 13 6.522 3.948 -8.687 1.00 0.00 C ATOM 0 H ALA A 13 6.904 3.227 -6.358 1.00 0.00 H new ATOM 0 HA ALA A 13 5.369 5.223 -7.415 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.175 4.415 -9.609 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.466 4.400 -8.384 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.668 2.881 -8.854 1.00 0.00 H new ATOM 145 N ILE A 14 4.072 2.282 -8.204 1.00 0.00 N ATOM 146 CA ILE A 14 2.838 1.626 -8.620 1.00 0.00 C ATOM 147 C ILE A 14 1.685 1.983 -7.688 1.00 0.00 C ATOM 148 O ILE A 14 0.671 2.533 -8.121 1.00 0.00 O ATOM 149 CB ILE A 14 2.999 0.094 -8.655 1.00 0.00 C ATOM 150 CG1 ILE A 14 4.159 -0.298 -9.573 1.00 0.00 C ATOM 151 CG2 ILE A 14 1.707 -0.564 -9.114 1.00 0.00 C ATOM 152 CD1 ILE A 14 4.577 -1.745 -9.435 1.00 0.00 C ATOM 0 H ILE A 14 4.860 1.650 -8.065 1.00 0.00 H new ATOM 0 HA ILE A 14 2.614 1.983 -9.625 1.00 0.00 H new ATOM 0 HB ILE A 14 3.224 -0.256 -7.648 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.873 -0.108 -10.608 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.015 0.341 -9.356 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.837 -1.646 -9.134 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.903 -0.307 -8.424 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.454 -0.211 -10.114 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.403 -1.951 -10.115 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.894 -1.936 -8.410 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.735 -2.392 -9.680 1.00 0.00 H new ATOM 164 N LEU A 15 1.847 1.669 -6.408 1.00 0.00 N ATOM 165 CA LEU A 15 0.819 1.959 -5.413 1.00 0.00 C ATOM 166 C LEU A 15 0.353 3.407 -5.518 1.00 0.00 C ATOM 167 O LEU A 15 -0.837 3.696 -5.401 1.00 0.00 O ATOM 168 CB LEU A 15 1.352 1.682 -4.006 1.00 0.00 C ATOM 169 CG LEU A 15 1.168 0.256 -3.487 1.00 0.00 C ATOM 170 CD1 LEU A 15 2.137 -0.027 -2.349 1.00 0.00 C ATOM 171 CD2 LEU A 15 -0.268 0.033 -3.035 1.00 0.00 C ATOM 0 H LEU A 15 2.680 1.214 -6.034 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.034 1.308 -5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.416 1.919 -3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.862 2.366 -3.313 1.00 0.00 H new ATOM 0 HG LEU A 15 1.383 -0.436 -4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.991 -1.047 -1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.161 0.090 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.954 0.672 -1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.380 -0.988 -2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.511 0.734 -2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.943 0.193 -3.876 1.00 0.00 H new ATOM 183 N GLU A 16 1.300 4.314 -5.740 1.00 0.00 N ATOM 184 CA GLU A 16 0.985 5.732 -5.862 1.00 0.00 C ATOM 185 C GLU A 16 0.196 6.007 -7.139 1.00 0.00 C ATOM 186 O GLU A 16 -0.626 6.921 -7.190 1.00 0.00 O ATOM 187 CB GLU A 16 2.269 6.565 -5.853 1.00 0.00 C ATOM 188 CG GLU A 16 2.029 8.052 -5.652 1.00 0.00 C ATOM 189 CD GLU A 16 3.313 8.823 -5.418 1.00 0.00 C ATOM 190 OE1 GLU A 16 4.190 8.799 -6.307 1.00 0.00 O ATOM 191 OE2 GLU A 16 3.442 9.451 -4.346 1.00 0.00 O ATOM 0 H GLU A 16 2.291 4.092 -5.839 1.00 0.00 H new ATOM 0 HA GLU A 16 0.370 6.016 -5.008 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.923 6.201 -5.060 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.796 6.415 -6.795 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.521 8.456 -6.528 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.362 8.197 -4.802 1.00 0.00 H new ATOM 198 N LYS A 17 0.454 5.209 -8.170 1.00 0.00 N ATOM 199 CA LYS A 17 -0.231 5.363 -9.448 1.00 0.00 C ATOM 200 C LYS A 17 -1.652 4.816 -9.373 1.00 0.00 C ATOM 201 O LYS A 17 -2.612 5.501 -9.727 1.00 0.00 O ATOM 202 CB LYS A 17 0.545 4.647 -10.555 1.00 0.00 C ATOM 203 CG LYS A 17 -0.175 4.636 -11.893 1.00 0.00 C ATOM 204 CD LYS A 17 0.495 3.694 -12.879 1.00 0.00 C ATOM 205 CE LYS A 17 -0.480 3.214 -13.942 1.00 0.00 C ATOM 206 NZ LYS A 17 -1.446 2.218 -13.400 1.00 0.00 N ATOM 0 H LYS A 17 1.133 4.448 -8.145 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.282 6.427 -9.679 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.515 5.129 -10.678 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.737 3.619 -10.247 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.212 4.334 -11.747 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.192 5.644 -12.306 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.334 4.201 -13.356 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.903 2.836 -12.344 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.026 4.067 -14.346 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.074 2.770 -14.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.932 1.742 -14.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.935 1.513 -12.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.146 2.703 -12.803 1.00 0.00 H new ATOM 220 N VAL A 18 -1.781 3.577 -8.908 1.00 0.00 N ATOM 221 CA VAL A 18 -3.086 2.939 -8.784 1.00 0.00 C ATOM 222 C VAL A 18 -3.967 3.678 -7.783 1.00 0.00 C ATOM 223 O VAL A 18 -5.149 3.369 -7.632 1.00 0.00 O ATOM 224 CB VAL A 18 -2.952 1.468 -8.345 1.00 0.00 C ATOM 225 CG1 VAL A 18 -4.311 0.785 -8.343 1.00 0.00 C ATOM 226 CG2 VAL A 18 -1.976 0.730 -9.248 1.00 0.00 C ATOM 0 H VAL A 18 -0.997 2.995 -8.611 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.551 2.976 -9.769 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.560 1.445 -7.328 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.196 -0.253 -8.030 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.976 1.301 -7.651 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.736 0.817 -9.346 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.893 -0.307 -8.924 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.337 0.761 -10.276 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.997 1.207 -9.192 1.00 0.00 H new ATOM 236 N PHE A 19 -3.383 4.658 -7.100 1.00 0.00 N ATOM 237 CA PHE A 19 -4.115 5.442 -6.113 1.00 0.00 C ATOM 238 C PHE A 19 -4.895 6.570 -6.783 1.00 0.00 C ATOM 239 O PHE A 19 -5.935 7.003 -6.286 1.00 0.00 O ATOM 240 CB PHE A 19 -3.152 6.020 -5.074 1.00 0.00 C ATOM 241 CG PHE A 19 -3.842 6.748 -3.955 1.00 0.00 C ATOM 242 CD1 PHE A 19 -4.486 7.952 -4.188 1.00 0.00 C ATOM 243 CD2 PHE A 19 -3.846 6.227 -2.671 1.00 0.00 C ATOM 244 CE1 PHE A 19 -5.122 8.624 -3.161 1.00 0.00 C ATOM 245 CE2 PHE A 19 -4.481 6.893 -1.641 1.00 0.00 C ATOM 246 CZ PHE A 19 -5.118 8.094 -1.885 1.00 0.00 C ATOM 0 H PHE A 19 -2.406 4.927 -7.212 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.824 4.781 -5.614 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.554 5.211 -4.656 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.462 6.703 -5.570 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.491 8.371 -5.184 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.347 5.290 -2.473 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.621 9.562 -3.356 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.479 6.475 -0.645 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.612 8.618 -1.080 1.00 0.00 H new ATOM 256 N THR A 20 -4.383 7.043 -7.915 1.00 0.00 N ATOM 257 CA THR A 20 -5.029 8.121 -8.654 1.00 0.00 C ATOM 258 C THR A 20 -5.574 7.624 -9.988 1.00 0.00 C ATOM 259 O THR A 20 -6.695 7.954 -10.373 1.00 0.00 O ATOM 260 CB THR A 20 -4.056 9.287 -8.912 1.00 0.00 C ATOM 261 OG1 THR A 20 -3.154 8.947 -9.970 1.00 0.00 O ATOM 262 CG2 THR A 20 -3.267 9.622 -7.655 1.00 0.00 C ATOM 0 H THR A 20 -3.523 6.697 -8.340 1.00 0.00 H new ATOM 0 HA THR A 20 -5.855 8.476 -8.037 1.00 0.00 H new ATOM 0 HB THR A 20 -4.640 10.161 -9.199 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.540 9.694 -10.129 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.587 10.448 -7.862 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.955 9.909 -6.859 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.694 8.749 -7.342 1.00 0.00 H new ATOM 270 N ALA A 21 -4.773 6.829 -10.690 1.00 0.00 N ATOM 271 CA ALA A 21 -5.177 6.285 -11.980 1.00 0.00 C ATOM 272 C ALA A 21 -6.392 5.375 -11.836 1.00 0.00 C ATOM 273 O ALA A 21 -7.210 5.268 -12.750 1.00 0.00 O ATOM 274 CB ALA A 21 -4.021 5.529 -12.619 1.00 0.00 C ATOM 0 H ALA A 21 -3.841 6.548 -10.387 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.454 7.117 -12.627 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.337 5.128 -13.582 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.180 6.207 -12.766 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.717 4.710 -11.967 1.00 0.00 H new ATOM 280 N ILE A 22 -6.502 4.721 -10.685 1.00 0.00 N ATOM 281 CA ILE A 22 -7.618 3.820 -10.422 1.00 0.00 C ATOM 282 C ILE A 22 -8.562 4.405 -9.378 1.00 0.00 C ATOM 283 O ILE A 22 -9.708 4.741 -9.679 1.00 0.00 O ATOM 284 CB ILE A 22 -7.127 2.442 -9.940 1.00 0.00 C ATOM 285 CG1 ILE A 22 -6.040 1.908 -10.875 1.00 0.00 C ATOM 286 CG2 ILE A 22 -8.290 1.465 -9.858 1.00 0.00 C ATOM 287 CD1 ILE A 22 -6.488 1.784 -12.315 1.00 0.00 C ATOM 0 H ILE A 22 -5.832 4.798 -9.919 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.153 3.697 -11.363 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.700 2.553 -8.943 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.175 2.569 -10.828 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.714 0.931 -10.519 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.927 0.496 -9.516 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -9.034 1.843 -9.156 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.744 1.356 -10.843 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.667 1.400 -12.920 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.334 1.099 -12.375 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.786 2.763 -12.689 1.00 0.00 H new ATOM 299 N THR A 23 -8.073 4.526 -8.147 1.00 0.00 N ATOM 300 CA THR A 23 -8.873 5.071 -7.058 1.00 0.00 C ATOM 301 C THR A 23 -8.044 5.216 -5.786 1.00 0.00 C ATOM 302 O THR A 23 -7.003 4.575 -5.635 1.00 0.00 O ATOM 303 CB THR A 23 -10.096 4.184 -6.761 1.00 0.00 C ATOM 304 OG1 THR A 23 -10.879 4.765 -5.711 1.00 0.00 O ATOM 305 CG2 THR A 23 -9.664 2.782 -6.361 1.00 0.00 C ATOM 0 H THR A 23 -7.127 4.254 -7.880 1.00 0.00 H new ATOM 0 HA THR A 23 -9.216 6.054 -7.379 1.00 0.00 H new ATOM 0 HB THR A 23 -10.697 4.117 -7.668 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.656 4.196 -5.529 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.545 2.174 -6.156 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.093 2.332 -7.173 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.043 2.834 -5.467 1.00 0.00 H new ATOM 313 N LYS A 24 -8.511 6.061 -4.874 1.00 0.00 N ATOM 314 CA LYS A 24 -7.814 6.289 -3.613 1.00 0.00 C ATOM 315 C LYS A 24 -8.127 5.183 -2.611 1.00 0.00 C ATOM 316 O LYS A 24 -7.282 4.813 -1.795 1.00 0.00 O ATOM 317 CB LYS A 24 -8.206 7.647 -3.029 1.00 0.00 C ATOM 318 CG LYS A 24 -8.051 8.798 -4.008 1.00 0.00 C ATOM 319 CD LYS A 24 -8.199 10.143 -3.315 1.00 0.00 C ATOM 320 CE LYS A 24 -8.244 11.285 -4.319 1.00 0.00 C ATOM 321 NZ LYS A 24 -9.576 11.395 -4.975 1.00 0.00 N ATOM 0 H LYS A 24 -9.370 6.600 -4.984 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.742 6.282 -3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.242 7.603 -2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.594 7.845 -2.149 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.074 8.740 -4.487 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.798 8.710 -4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.110 10.147 -2.717 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.366 10.293 -2.628 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.010 12.222 -3.814 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.477 11.132 -5.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.566 12.185 -5.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.789 10.510 -5.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.305 11.567 -4.254 1.00 0.00 H new ATOM 335 N HIS A 25 -9.347 4.657 -2.678 1.00 0.00 N ATOM 336 CA HIS A 25 -9.770 3.591 -1.777 1.00 0.00 C ATOM 337 C HIS A 25 -10.054 2.307 -2.550 1.00 0.00 C ATOM 338 O HIS A 25 -11.201 1.978 -2.856 1.00 0.00 O ATOM 339 CB HIS A 25 -11.015 4.017 -0.998 1.00 0.00 C ATOM 340 CG HIS A 25 -10.804 5.232 -0.149 1.00 0.00 C ATOM 341 ND1 HIS A 25 -10.062 5.218 1.013 1.00 0.00 N ATOM 342 CD2 HIS A 25 -11.240 6.505 -0.299 1.00 0.00 C ATOM 343 CE1 HIS A 25 -10.052 6.429 1.542 1.00 0.00 C ATOM 344 NE2 HIS A 25 -10.760 7.228 0.765 1.00 0.00 N ATOM 0 H HIS A 25 -10.059 4.952 -3.346 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.959 3.399 -1.075 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.825 4.212 -1.701 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.336 3.191 -0.363 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -9.594 4.400 1.404 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.852 6.882 -1.106 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -9.550 6.716 2.454 1.00 0.00 H new ATOM 353 N PRO A 26 -8.987 1.563 -2.875 1.00 0.00 N ATOM 354 CA PRO A 26 -9.096 0.303 -3.617 1.00 0.00 C ATOM 355 C PRO A 26 -9.738 -0.804 -2.788 1.00 0.00 C ATOM 356 O PRO A 26 -9.824 -0.705 -1.564 1.00 0.00 O ATOM 357 CB PRO A 26 -7.641 -0.046 -3.939 1.00 0.00 C ATOM 358 CG PRO A 26 -6.844 0.632 -2.878 1.00 0.00 C ATOM 359 CD PRO A 26 -7.591 1.893 -2.543 1.00 0.00 C ATOM 0 HA PRO A 26 -9.730 0.402 -4.498 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.481 -1.124 -3.926 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -7.360 0.307 -4.931 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.741 -0.006 -2.000 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.837 0.856 -3.229 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.480 2.158 -1.492 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.229 2.741 -3.125 1.00 0.00 H new ATOM 367 N ASP A 27 -10.186 -1.857 -3.462 1.00 0.00 N ATOM 368 CA ASP A 27 -10.820 -2.984 -2.787 1.00 0.00 C ATOM 369 C ASP A 27 -9.898 -4.200 -2.778 1.00 0.00 C ATOM 370 O ASP A 27 -8.828 -4.183 -3.386 1.00 0.00 O ATOM 371 CB ASP A 27 -12.143 -3.337 -3.469 1.00 0.00 C ATOM 372 CG ASP A 27 -13.307 -2.535 -2.922 1.00 0.00 C ATOM 373 OD1 ASP A 27 -13.527 -1.404 -3.403 1.00 0.00 O ATOM 374 OD2 ASP A 27 -13.999 -3.039 -2.012 1.00 0.00 O ATOM 0 H ASP A 27 -10.122 -1.954 -4.475 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.019 -2.693 -1.756 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -12.055 -3.159 -4.541 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.344 -4.400 -3.337 1.00 0.00 H new ATOM 379 N GLU A 28 -10.321 -5.252 -2.085 1.00 0.00 N ATOM 380 CA GLU A 28 -9.532 -6.475 -1.996 1.00 0.00 C ATOM 381 C GLU A 28 -9.039 -6.906 -3.374 1.00 0.00 C ATOM 382 O GLU A 28 -7.835 -6.975 -3.622 1.00 0.00 O ATOM 383 CB GLU A 28 -10.358 -7.597 -1.364 1.00 0.00 C ATOM 384 CG GLU A 28 -9.642 -8.936 -1.330 1.00 0.00 C ATOM 385 CD GLU A 28 -10.599 -10.111 -1.349 1.00 0.00 C ATOM 386 OE1 GLU A 28 -11.250 -10.364 -0.314 1.00 0.00 O ATOM 387 OE2 GLU A 28 -10.698 -10.778 -2.401 1.00 0.00 O ATOM 0 H GLU A 28 -11.205 -5.282 -1.577 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.666 -6.273 -1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.624 -7.311 -0.346 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.290 -7.707 -1.919 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.970 -9.006 -2.185 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.024 -8.990 -0.434 1.00 0.00 H new ATOM 394 N LYS A 29 -9.978 -7.195 -4.268 1.00 0.00 N ATOM 395 CA LYS A 29 -9.642 -7.619 -5.622 1.00 0.00 C ATOM 396 C LYS A 29 -8.490 -6.790 -6.181 1.00 0.00 C ATOM 397 O LYS A 29 -7.587 -7.322 -6.827 1.00 0.00 O ATOM 398 CB LYS A 29 -10.864 -7.495 -6.535 1.00 0.00 C ATOM 399 CG LYS A 29 -12.064 -8.294 -6.058 1.00 0.00 C ATOM 400 CD LYS A 29 -11.958 -9.755 -6.465 1.00 0.00 C ATOM 401 CE LYS A 29 -13.330 -10.400 -6.589 1.00 0.00 C ATOM 402 NZ LYS A 29 -13.288 -11.636 -7.418 1.00 0.00 N ATOM 0 H LYS A 29 -10.979 -7.143 -4.079 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.330 -8.663 -5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.145 -6.445 -6.611 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.593 -7.826 -7.537 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.142 -8.222 -4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.976 -7.865 -6.473 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.432 -9.831 -7.416 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.365 -10.297 -5.728 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.709 -10.641 -5.596 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.027 -9.689 -7.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.242 -12.046 -7.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.950 -11.402 -8.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.642 -12.325 -6.982 1.00 0.00 H new ATOM 416 N ARG A 30 -8.527 -5.486 -5.927 1.00 0.00 N ATOM 417 CA ARG A 30 -7.485 -4.585 -6.405 1.00 0.00 C ATOM 418 C ARG A 30 -6.131 -4.955 -5.808 1.00 0.00 C ATOM 419 O ARG A 30 -5.196 -5.305 -6.530 1.00 0.00 O ATOM 420 CB ARG A 30 -7.832 -3.138 -6.052 1.00 0.00 C ATOM 421 CG ARG A 30 -6.886 -2.118 -6.664 1.00 0.00 C ATOM 422 CD ARG A 30 -7.366 -1.664 -8.034 1.00 0.00 C ATOM 423 NE ARG A 30 -7.063 -2.645 -9.073 1.00 0.00 N ATOM 424 CZ ARG A 30 -5.829 -2.963 -9.446 1.00 0.00 C ATOM 425 NH1 ARG A 30 -4.787 -2.382 -8.867 1.00 0.00 N ATOM 426 NH2 ARG A 30 -5.635 -3.866 -10.399 1.00 0.00 N ATOM 0 H ARG A 30 -9.267 -5.030 -5.393 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.424 -4.683 -7.489 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.848 -2.925 -6.386 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.822 -3.025 -4.968 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.802 -1.256 -6.003 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.890 -2.551 -6.752 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.442 -1.490 -8.002 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.897 -0.713 -8.286 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.842 -3.111 -9.538 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.932 -1.689 -8.133 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.840 -2.628 -9.156 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.434 -4.316 -10.845 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.687 -4.110 -10.685 1.00 0.00 H new ATOM 440 N LEU A 31 -6.031 -4.873 -4.486 1.00 0.00 N ATOM 441 CA LEU A 31 -4.790 -5.199 -3.790 1.00 0.00 C ATOM 442 C LEU A 31 -4.206 -6.510 -4.305 1.00 0.00 C ATOM 443 O LEU A 31 -3.018 -6.591 -4.617 1.00 0.00 O ATOM 444 CB LEU A 31 -5.037 -5.293 -2.284 1.00 0.00 C ATOM 445 CG LEU A 31 -5.708 -4.081 -1.636 1.00 0.00 C ATOM 446 CD1 LEU A 31 -6.528 -4.507 -0.429 1.00 0.00 C ATOM 447 CD2 LEU A 31 -4.667 -3.045 -1.238 1.00 0.00 C ATOM 0 H LEU A 31 -6.794 -4.584 -3.874 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.072 -4.402 -3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.654 -6.171 -2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.080 -5.461 -1.789 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.381 -3.629 -2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.998 -3.631 0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.298 -5.212 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.877 -4.984 0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.162 -2.190 -0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.969 -3.486 -0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.123 -2.717 -2.124 1.00 0.00 H new ATOM 459 N GLU A 32 -5.049 -7.535 -4.391 1.00 0.00 N ATOM 460 CA GLU A 32 -4.615 -8.842 -4.869 1.00 0.00 C ATOM 461 C GLU A 32 -3.664 -8.700 -6.054 1.00 0.00 C ATOM 462 O GLU A 32 -2.643 -9.382 -6.129 1.00 0.00 O ATOM 463 CB GLU A 32 -5.824 -9.690 -5.270 1.00 0.00 C ATOM 464 CG GLU A 32 -6.482 -10.403 -4.101 1.00 0.00 C ATOM 465 CD GLU A 32 -5.855 -11.754 -3.814 1.00 0.00 C ATOM 466 OE1 GLU A 32 -5.176 -12.296 -4.711 1.00 0.00 O ATOM 467 OE2 GLU A 32 -6.045 -12.269 -2.692 1.00 0.00 O ATOM 0 H GLU A 32 -6.035 -7.485 -4.136 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.084 -9.339 -4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.561 -9.050 -5.756 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.510 -10.430 -6.006 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.410 -9.777 -3.212 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.543 -10.536 -4.312 1.00 0.00 H new ATOM 474 N GLY A 33 -4.008 -7.808 -6.978 1.00 0.00 N ATOM 475 CA GLY A 33 -3.175 -7.593 -8.147 1.00 0.00 C ATOM 476 C GLY A 33 -1.828 -6.993 -7.797 1.00 0.00 C ATOM 477 O GLY A 33 -0.813 -7.328 -8.409 1.00 0.00 O ATOM 0 H GLY A 33 -4.848 -7.231 -6.938 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.024 -8.542 -8.661 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.694 -6.933 -8.842 1.00 0.00 H new ATOM 481 N LEU A 34 -1.817 -6.103 -6.811 1.00 0.00 N ATOM 482 CA LEU A 34 -0.584 -5.453 -6.381 1.00 0.00 C ATOM 483 C LEU A 34 0.304 -6.425 -5.610 1.00 0.00 C ATOM 484 O LEU A 34 1.527 -6.408 -5.749 1.00 0.00 O ATOM 485 CB LEU A 34 -0.902 -4.235 -5.511 1.00 0.00 C ATOM 486 CG LEU A 34 -1.079 -2.909 -6.251 1.00 0.00 C ATOM 487 CD1 LEU A 34 -1.672 -1.857 -5.327 1.00 0.00 C ATOM 488 CD2 LEU A 34 0.250 -2.434 -6.820 1.00 0.00 C ATOM 0 H LEU A 34 -2.648 -5.815 -6.294 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.046 -5.126 -7.271 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.815 -4.441 -4.953 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.102 -4.116 -4.781 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.770 -3.067 -7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.791 -0.920 -5.871 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.645 -2.194 -4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.006 -1.702 -4.478 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.105 -1.489 -7.343 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.964 -2.293 -6.008 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.635 -3.179 -7.517 1.00 0.00 H new ATOM 500 N SER A 35 -0.321 -7.272 -4.798 1.00 0.00 N ATOM 501 CA SER A 35 0.412 -8.251 -4.004 1.00 0.00 C ATOM 502 C SER A 35 1.584 -8.825 -4.795 1.00 0.00 C ATOM 503 O SER A 35 2.618 -9.178 -4.228 1.00 0.00 O ATOM 504 CB SER A 35 -0.520 -9.380 -3.559 1.00 0.00 C ATOM 505 OG SER A 35 0.186 -10.364 -2.824 1.00 0.00 O ATOM 0 H SER A 35 -1.333 -7.300 -4.673 1.00 0.00 H new ATOM 0 HA SER A 35 0.805 -7.745 -3.122 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.324 -8.972 -2.947 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.985 -9.838 -4.432 1.00 0.00 H new ATOM 0 HG SER A 35 0.642 -9.942 -2.067 1.00 0.00 H new ATOM 511 N LYS A 36 1.413 -8.916 -6.110 1.00 0.00 N ATOM 512 CA LYS A 36 2.455 -9.446 -6.982 1.00 0.00 C ATOM 513 C LYS A 36 3.593 -8.443 -7.142 1.00 0.00 C ATOM 514 O LYS A 36 4.720 -8.697 -6.717 1.00 0.00 O ATOM 515 CB LYS A 36 1.872 -9.795 -8.353 1.00 0.00 C ATOM 516 CG LYS A 36 2.913 -10.262 -9.355 1.00 0.00 C ATOM 517 CD LYS A 36 3.308 -11.710 -9.114 1.00 0.00 C ATOM 518 CE LYS A 36 4.649 -12.035 -9.755 1.00 0.00 C ATOM 519 NZ LYS A 36 4.883 -13.504 -9.836 1.00 0.00 N ATOM 0 H LYS A 36 0.563 -8.630 -6.595 1.00 0.00 H new ATOM 0 HA LYS A 36 2.854 -10.350 -6.522 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.121 -10.576 -8.231 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.360 -8.920 -8.754 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.520 -10.154 -10.366 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.796 -9.627 -9.287 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.360 -11.901 -8.042 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.541 -12.370 -9.518 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.687 -11.605 -10.756 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.449 -11.571 -9.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.807 -13.685 -10.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.872 -13.911 -8.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.134 -13.944 -10.407 1.00 0.00 H new ATOM 533 N GLN A 37 3.290 -7.303 -7.755 1.00 0.00 N ATOM 534 CA GLN A 37 4.288 -6.263 -7.969 1.00 0.00 C ATOM 535 C GLN A 37 4.984 -5.898 -6.662 1.00 0.00 C ATOM 536 O GLN A 37 6.210 -5.960 -6.560 1.00 0.00 O ATOM 537 CB GLN A 37 3.637 -5.020 -8.578 1.00 0.00 C ATOM 538 CG GLN A 37 3.268 -5.182 -10.044 1.00 0.00 C ATOM 539 CD GLN A 37 2.006 -5.999 -10.241 1.00 0.00 C ATOM 540 OE1 GLN A 37 2.057 -7.141 -10.700 1.00 0.00 O ATOM 541 NE2 GLN A 37 0.864 -5.418 -9.893 1.00 0.00 N ATOM 0 H GLN A 37 2.362 -7.077 -8.112 1.00 0.00 H new ATOM 0 HA GLN A 37 5.036 -6.650 -8.661 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.739 -4.776 -8.011 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.319 -4.176 -8.475 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.133 -4.197 -10.492 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.093 -5.661 -10.572 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.868 -4.470 -9.517 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.017 -5.920 -10.002 1.00 0.00 H new ATOM 550 N LEU A 38 4.194 -5.517 -5.664 1.00 0.00 N ATOM 551 CA LEU A 38 4.734 -5.142 -4.362 1.00 0.00 C ATOM 552 C LEU A 38 5.384 -6.339 -3.676 1.00 0.00 C ATOM 553 O LEU A 38 6.312 -6.184 -2.882 1.00 0.00 O ATOM 554 CB LEU A 38 3.627 -4.570 -3.474 1.00 0.00 C ATOM 555 CG LEU A 38 2.656 -3.602 -4.152 1.00 0.00 C ATOM 556 CD1 LEU A 38 1.556 -3.187 -3.187 1.00 0.00 C ATOM 557 CD2 LEU A 38 3.398 -2.381 -4.674 1.00 0.00 C ATOM 0 H LEU A 38 3.178 -5.460 -5.732 1.00 0.00 H new ATOM 0 HA LEU A 38 5.496 -4.379 -4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.053 -5.400 -3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.092 -4.057 -2.633 1.00 0.00 H new ATOM 0 HG LEU A 38 2.196 -4.112 -4.998 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.875 -2.498 -3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.006 -4.070 -2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.998 -2.695 -2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.692 -1.703 -5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.886 -1.869 -3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.149 -2.694 -5.399 1.00 0.00 H new ATOM 569 N ASP A 39 4.891 -7.532 -3.989 1.00 0.00 N ATOM 570 CA ASP A 39 5.426 -8.757 -3.406 1.00 0.00 C ATOM 571 C ASP A 39 5.138 -8.817 -1.909 1.00 0.00 C ATOM 572 O ASP A 39 5.894 -9.418 -1.145 1.00 0.00 O ATOM 573 CB ASP A 39 6.933 -8.849 -3.652 1.00 0.00 C ATOM 574 CG ASP A 39 7.300 -8.589 -5.100 1.00 0.00 C ATOM 575 OD1 ASP A 39 7.077 -9.486 -5.939 1.00 0.00 O ATOM 576 OD2 ASP A 39 7.810 -7.487 -5.393 1.00 0.00 O ATOM 0 H ASP A 39 4.122 -7.677 -4.643 1.00 0.00 H new ATOM 0 HA ASP A 39 4.935 -9.603 -3.887 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.447 -8.129 -3.015 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.286 -9.839 -3.363 1.00 0.00 H new ATOM 581 N TRP A 40 4.043 -8.190 -1.497 1.00 0.00 N ATOM 582 CA TRP A 40 3.656 -8.171 -0.091 1.00 0.00 C ATOM 583 C TRP A 40 2.329 -8.893 0.118 1.00 0.00 C ATOM 584 O TRP A 40 1.723 -9.385 -0.834 1.00 0.00 O ATOM 585 CB TRP A 40 3.551 -6.730 0.411 1.00 0.00 C ATOM 586 CG TRP A 40 4.718 -5.877 0.017 1.00 0.00 C ATOM 587 CD1 TRP A 40 5.973 -6.306 -0.312 1.00 0.00 C ATOM 588 CD2 TRP A 40 4.740 -4.449 -0.089 1.00 0.00 C ATOM 589 NE1 TRP A 40 6.773 -5.230 -0.614 1.00 0.00 N ATOM 590 CE2 TRP A 40 6.040 -4.080 -0.486 1.00 0.00 C ATOM 591 CE3 TRP A 40 3.787 -3.447 0.112 1.00 0.00 C ATOM 592 CZ2 TRP A 40 6.409 -2.752 -0.684 1.00 0.00 C ATOM 593 CZ3 TRP A 40 4.155 -2.129 -0.085 1.00 0.00 C ATOM 594 CH2 TRP A 40 5.456 -1.792 -0.480 1.00 0.00 C ATOM 0 H TRP A 40 3.407 -7.688 -2.116 1.00 0.00 H new ATOM 0 HA TRP A 40 4.425 -8.692 0.479 1.00 0.00 H new ATOM 0 HB2 TRP A 40 2.636 -6.283 0.022 1.00 0.00 H new ATOM 0 HB3 TRP A 40 3.466 -6.737 1.498 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.290 -7.338 -0.332 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.754 -5.280 -0.889 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.781 -3.698 0.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.412 -2.489 -0.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 3.427 -1.346 0.068 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.712 -0.753 -0.626 1.00 0.00 H new ATOM 605 N ASP A 41 1.884 -8.953 1.368 1.00 0.00 N ATOM 606 CA ASP A 41 0.628 -9.614 1.702 1.00 0.00 C ATOM 607 C ASP A 41 -0.557 -8.684 1.460 1.00 0.00 C ATOM 608 O ASP A 41 -0.481 -7.484 1.723 1.00 0.00 O ATOM 609 CB ASP A 41 0.641 -10.075 3.160 1.00 0.00 C ATOM 610 CG ASP A 41 1.354 -11.400 3.342 1.00 0.00 C ATOM 611 OD1 ASP A 41 1.364 -12.205 2.387 1.00 0.00 O ATOM 612 OD2 ASP A 41 1.904 -11.632 4.439 1.00 0.00 O ATOM 0 H ASP A 41 2.375 -8.552 2.167 1.00 0.00 H new ATOM 0 HA ASP A 41 0.521 -10.485 1.055 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.128 -9.317 3.773 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.384 -10.165 3.519 1.00 0.00 H new ATOM 617 N VAL A 42 -1.651 -9.246 0.957 1.00 0.00 N ATOM 618 CA VAL A 42 -2.852 -8.468 0.679 1.00 0.00 C ATOM 619 C VAL A 42 -3.127 -7.464 1.794 1.00 0.00 C ATOM 620 O VAL A 42 -3.707 -6.404 1.559 1.00 0.00 O ATOM 621 CB VAL A 42 -4.084 -9.377 0.508 1.00 0.00 C ATOM 622 CG1 VAL A 42 -5.347 -8.543 0.360 1.00 0.00 C ATOM 623 CG2 VAL A 42 -3.901 -10.301 -0.687 1.00 0.00 C ATOM 0 H VAL A 42 -1.730 -10.238 0.734 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.672 -7.933 -0.253 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.188 -9.992 1.402 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.207 -9.202 0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.483 -7.928 1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.258 -7.900 -0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.780 -10.936 -0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.772 -9.706 -1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.020 -10.924 -0.534 1.00 0.00 H new ATOM 633 N ARG A 43 -2.704 -7.806 3.007 1.00 0.00 N ATOM 634 CA ARG A 43 -2.905 -6.935 4.159 1.00 0.00 C ATOM 635 C ARG A 43 -1.792 -5.895 4.254 1.00 0.00 C ATOM 636 O ARG A 43 -2.027 -4.755 4.655 1.00 0.00 O ATOM 637 CB ARG A 43 -2.958 -7.760 5.446 1.00 0.00 C ATOM 638 CG ARG A 43 -4.175 -8.666 5.538 1.00 0.00 C ATOM 639 CD ARG A 43 -4.228 -9.393 6.873 1.00 0.00 C ATOM 640 NE ARG A 43 -5.474 -10.135 7.043 1.00 0.00 N ATOM 641 CZ ARG A 43 -5.720 -10.933 8.076 1.00 0.00 C ATOM 642 NH1 ARG A 43 -4.809 -11.091 9.026 1.00 0.00 N ATOM 643 NH2 ARG A 43 -6.878 -11.575 8.160 1.00 0.00 N ATOM 0 H ARG A 43 -2.220 -8.679 3.217 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.855 -6.416 4.029 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.056 -8.369 5.515 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.953 -7.084 6.301 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.081 -8.074 5.408 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.151 -9.394 4.727 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.384 -10.080 6.946 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.122 -8.671 7.683 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.195 -10.035 6.329 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.917 -10.599 8.964 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.000 -11.704 9.819 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.581 -11.456 7.431 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.065 -12.187 8.954 1.00 0.00 H new ATOM 657 N SER A 44 -0.581 -6.296 3.884 1.00 0.00 N ATOM 658 CA SER A 44 0.569 -5.401 3.932 1.00 0.00 C ATOM 659 C SER A 44 0.384 -4.227 2.975 1.00 0.00 C ATOM 660 O SER A 44 0.866 -3.123 3.230 1.00 0.00 O ATOM 661 CB SER A 44 1.850 -6.162 3.582 1.00 0.00 C ATOM 662 OG SER A 44 2.150 -7.135 4.567 1.00 0.00 O ATOM 0 H SER A 44 -0.370 -7.235 3.547 1.00 0.00 H new ATOM 0 HA SER A 44 0.652 -5.011 4.946 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.736 -6.645 2.612 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.680 -5.461 3.494 1.00 0.00 H new ATOM 0 HG SER A 44 2.972 -7.609 4.320 1.00 0.00 H new ATOM 668 N ILE A 45 -0.317 -4.474 1.874 1.00 0.00 N ATOM 669 CA ILE A 45 -0.567 -3.439 0.880 1.00 0.00 C ATOM 670 C ILE A 45 -1.439 -2.326 1.452 1.00 0.00 C ATOM 671 O ILE A 45 -1.050 -1.159 1.455 1.00 0.00 O ATOM 672 CB ILE A 45 -1.248 -4.016 -0.375 1.00 0.00 C ATOM 673 CG1 ILE A 45 -0.496 -5.254 -0.867 1.00 0.00 C ATOM 674 CG2 ILE A 45 -1.319 -2.963 -1.471 1.00 0.00 C ATOM 675 CD1 ILE A 45 -1.158 -5.936 -2.043 1.00 0.00 C ATOM 0 H ILE A 45 -0.722 -5.382 1.648 1.00 0.00 H new ATOM 0 HA ILE A 45 0.404 -3.029 0.601 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.265 -4.311 -0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.517 -4.966 -1.148 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.409 -5.966 -0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.803 -3.386 -2.351 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.894 -2.107 -1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.311 -2.640 -1.731 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.570 -6.805 -2.338 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.161 -6.255 -1.761 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.221 -5.240 -2.879 1.00 0.00 H new ATOM 687 N GLN A 46 -2.620 -2.698 1.936 1.00 0.00 N ATOM 688 CA GLN A 46 -3.547 -1.731 2.513 1.00 0.00 C ATOM 689 C GLN A 46 -2.810 -0.727 3.392 1.00 0.00 C ATOM 690 O GLN A 46 -2.939 0.484 3.211 1.00 0.00 O ATOM 691 CB GLN A 46 -4.623 -2.449 3.329 1.00 0.00 C ATOM 692 CG GLN A 46 -5.746 -3.026 2.483 1.00 0.00 C ATOM 693 CD GLN A 46 -7.026 -3.227 3.270 1.00 0.00 C ATOM 694 OE1 GLN A 46 -7.370 -2.420 4.134 1.00 0.00 O ATOM 695 NE2 GLN A 46 -7.739 -4.307 2.974 1.00 0.00 N ATOM 0 H GLN A 46 -2.957 -3.661 1.940 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.022 -1.189 1.696 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.158 -3.254 3.898 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.046 -1.751 4.051 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.942 -2.360 1.643 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.427 -3.981 2.065 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -7.416 -4.949 2.250 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.610 -4.495 3.470 1.00 0.00 H new ATOM 704 N ARG A 47 -2.036 -1.238 4.345 1.00 0.00 N ATOM 705 CA ARG A 47 -1.279 -0.385 5.253 1.00 0.00 C ATOM 706 C ARG A 47 -0.743 0.844 4.526 1.00 0.00 C ATOM 707 O ARG A 47 -0.789 1.957 5.050 1.00 0.00 O ATOM 708 CB ARG A 47 -0.121 -1.168 5.875 1.00 0.00 C ATOM 709 CG ARG A 47 -0.561 -2.171 6.929 1.00 0.00 C ATOM 710 CD ARG A 47 0.630 -2.765 7.664 1.00 0.00 C ATOM 711 NE ARG A 47 1.038 -1.943 8.801 1.00 0.00 N ATOM 712 CZ ARG A 47 0.265 -1.714 9.856 1.00 0.00 C ATOM 713 NH1 ARG A 47 -0.950 -2.242 9.920 1.00 0.00 N ATOM 714 NH2 ARG A 47 0.707 -0.955 10.851 1.00 0.00 N ATOM 0 H ARG A 47 -1.917 -2.238 4.508 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.951 -0.053 6.044 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.416 -1.695 5.086 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.581 -0.466 6.324 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.224 -1.683 7.643 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.134 -2.969 6.457 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.378 -3.766 8.013 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.467 -2.869 6.973 1.00 0.00 H new ATOM 0 HE ARG A 47 1.967 -1.522 8.783 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.293 -2.826 9.157 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.541 -2.064 10.732 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.641 -0.547 10.805 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.113 -0.779 11.661 1.00 0.00 H new ATOM 728 N TRP A 48 -0.235 0.635 3.316 1.00 0.00 N ATOM 729 CA TRP A 48 0.310 1.726 2.517 1.00 0.00 C ATOM 730 C TRP A 48 -0.781 2.721 2.138 1.00 0.00 C ATOM 731 O TRP A 48 -0.652 3.921 2.379 1.00 0.00 O ATOM 732 CB TRP A 48 0.978 1.177 1.255 1.00 0.00 C ATOM 733 CG TRP A 48 1.749 2.212 0.493 1.00 0.00 C ATOM 734 CD1 TRP A 48 3.093 2.445 0.557 1.00 0.00 C ATOM 735 CD2 TRP A 48 1.220 3.154 -0.447 1.00 0.00 C ATOM 736 NE1 TRP A 48 3.432 3.475 -0.286 1.00 0.00 N ATOM 737 CE2 TRP A 48 2.301 3.927 -0.914 1.00 0.00 C ATOM 738 CE3 TRP A 48 -0.060 3.419 -0.940 1.00 0.00 C ATOM 739 CZ2 TRP A 48 2.138 4.946 -1.849 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -0.220 4.431 -1.868 1.00 0.00 C ATOM 741 CH2 TRP A 48 0.874 5.184 -2.315 1.00 0.00 C ATOM 0 H TRP A 48 -0.189 -0.280 2.867 1.00 0.00 H new ATOM 0 HA TRP A 48 1.056 2.246 3.118 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.650 0.365 1.532 1.00 0.00 H new ATOM 0 HB3 TRP A 48 0.214 0.751 0.604 1.00 0.00 H new ATOM 0 HD1 TRP A 48 3.787 1.900 1.179 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.373 3.844 -0.422 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.909 2.844 -0.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.980 5.528 -2.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.205 4.645 -2.255 1.00 0.00 H new ATOM 0 HH2 TRP A 48 0.716 5.967 -3.041 1.00 0.00 H new ATOM 752 N PHE A 49 -1.856 2.215 1.542 1.00 0.00 N ATOM 753 CA PHE A 49 -2.970 3.061 1.129 1.00 0.00 C ATOM 754 C PHE A 49 -3.550 3.818 2.320 1.00 0.00 C ATOM 755 O PHE A 49 -3.953 4.974 2.197 1.00 0.00 O ATOM 756 CB PHE A 49 -4.061 2.216 0.467 1.00 0.00 C ATOM 757 CG PHE A 49 -3.890 2.073 -1.018 1.00 0.00 C ATOM 758 CD1 PHE A 49 -4.193 3.125 -1.868 1.00 0.00 C ATOM 759 CD2 PHE A 49 -3.426 0.887 -1.565 1.00 0.00 C ATOM 760 CE1 PHE A 49 -4.037 2.996 -3.235 1.00 0.00 C ATOM 761 CE2 PHE A 49 -3.268 0.752 -2.931 1.00 0.00 C ATOM 762 CZ PHE A 49 -3.573 1.808 -3.767 1.00 0.00 C ATOM 0 H PHE A 49 -1.979 1.224 1.334 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.594 3.787 0.408 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -4.067 1.225 0.921 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.032 2.667 0.671 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.555 4.056 -1.457 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.185 0.058 -0.916 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.277 3.823 -3.887 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.907 -0.178 -3.344 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.449 1.706 -4.835 1.00 0.00 H new ATOM 772 N ARG A 50 -3.587 3.156 3.472 1.00 0.00 N ATOM 773 CA ARG A 50 -4.119 3.765 4.686 1.00 0.00 C ATOM 774 C ARG A 50 -3.153 4.810 5.238 1.00 0.00 C ATOM 775 O ARG A 50 -3.574 5.842 5.761 1.00 0.00 O ATOM 776 CB ARG A 50 -4.388 2.694 5.744 1.00 0.00 C ATOM 777 CG ARG A 50 -4.511 3.248 7.154 1.00 0.00 C ATOM 778 CD ARG A 50 -5.203 2.261 8.081 1.00 0.00 C ATOM 779 NE ARG A 50 -6.658 2.367 8.006 1.00 0.00 N ATOM 780 CZ ARG A 50 -7.488 1.593 8.695 1.00 0.00 C ATOM 781 NH1 ARG A 50 -7.010 0.661 9.508 1.00 0.00 N ATOM 782 NH2 ARG A 50 -8.800 1.751 8.573 1.00 0.00 N ATOM 0 H ARG A 50 -3.255 2.199 3.590 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.057 4.260 4.434 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.307 2.166 5.489 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.582 1.961 5.720 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.520 3.480 7.543 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -5.072 4.182 7.131 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.900 1.247 7.822 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.879 2.439 9.106 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.058 3.075 7.390 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.002 0.537 9.605 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.650 0.068 10.036 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.172 2.468 7.949 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -9.437 1.156 9.103 1.00 0.00 H new ATOM 796 N GLN A 51 -1.859 4.534 5.118 1.00 0.00 N ATOM 797 CA GLN A 51 -0.834 5.449 5.606 1.00 0.00 C ATOM 798 C GLN A 51 -0.747 6.689 4.723 1.00 0.00 C ATOM 799 O GLN A 51 -0.506 7.794 5.210 1.00 0.00 O ATOM 800 CB GLN A 51 0.524 4.748 5.656 1.00 0.00 C ATOM 801 CG GLN A 51 0.689 3.827 6.854 1.00 0.00 C ATOM 802 CD GLN A 51 2.021 3.102 6.854 1.00 0.00 C ATOM 803 OE1 GLN A 51 2.646 2.928 5.807 1.00 0.00 O ATOM 804 NE2 GLN A 51 2.464 2.676 8.031 1.00 0.00 N ATOM 0 H GLN A 51 -1.495 3.684 4.687 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.111 5.761 6.613 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.659 4.169 4.742 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.312 5.501 5.676 1.00 0.00 H new ATOM 0 HG2 GLN A 51 0.597 4.409 7.771 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.119 3.095 6.859 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.914 2.842 8.874 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.355 2.183 8.093 1.00 0.00 H new ATOM 813 N ARG A 52 -0.945 6.499 3.423 1.00 0.00 N ATOM 814 CA ARG A 52 -0.887 7.602 2.471 1.00 0.00 C ATOM 815 C ARG A 52 -2.066 8.551 2.667 1.00 0.00 C ATOM 816 O ARG A 52 -1.883 9.729 2.975 1.00 0.00 O ATOM 817 CB ARG A 52 -0.880 7.068 1.038 1.00 0.00 C ATOM 818 CG ARG A 52 -0.542 8.123 -0.003 1.00 0.00 C ATOM 819 CD ARG A 52 0.946 8.437 -0.015 1.00 0.00 C ATOM 820 NE ARG A 52 1.251 9.610 -0.829 1.00 0.00 N ATOM 821 CZ ARG A 52 2.481 10.074 -1.017 1.00 0.00 C ATOM 822 NH1 ARG A 52 3.516 9.467 -0.453 1.00 0.00 N ATOM 823 NH2 ARG A 52 2.679 11.148 -1.772 1.00 0.00 N ATOM 0 H ARG A 52 -1.147 5.591 3.004 1.00 0.00 H new ATOM 0 HA ARG A 52 0.036 8.155 2.649 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.158 6.254 0.966 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.859 6.647 0.811 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.849 7.774 -0.989 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.105 9.033 0.203 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.289 8.605 1.006 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.495 7.577 -0.398 1.00 0.00 H new ATOM 0 HE ARG A 52 0.477 10.100 -1.278 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.369 8.641 0.127 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.460 9.826 -0.599 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.886 11.618 -2.208 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.624 11.503 -1.916 1.00 0.00 H new ATOM 837 N ARG A 53 -3.274 8.030 2.485 1.00 0.00 N ATOM 838 CA ARG A 53 -4.483 8.830 2.639 1.00 0.00 C ATOM 839 C ARG A 53 -4.336 9.821 3.790 1.00 0.00 C ATOM 840 O ARG A 53 -4.676 10.996 3.659 1.00 0.00 O ATOM 841 CB ARG A 53 -5.692 7.926 2.882 1.00 0.00 C ATOM 842 CG ARG A 53 -6.378 7.470 1.605 1.00 0.00 C ATOM 843 CD ARG A 53 -7.186 8.593 0.974 1.00 0.00 C ATOM 844 NE ARG A 53 -8.307 9.001 1.816 1.00 0.00 N ATOM 845 CZ ARG A 53 -9.147 9.980 1.499 1.00 0.00 C ATOM 846 NH1 ARG A 53 -8.992 10.649 0.365 1.00 0.00 N ATOM 847 NH2 ARG A 53 -10.144 10.292 2.317 1.00 0.00 N ATOM 0 H ARG A 53 -3.442 7.057 2.231 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.637 9.390 1.717 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.372 7.049 3.445 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.414 8.458 3.502 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.630 7.116 0.896 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.034 6.627 1.824 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.537 9.450 0.795 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.561 8.268 0.003 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.453 8.507 2.696 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.227 10.412 -0.266 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.638 11.400 0.124 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.266 9.780 3.191 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.788 11.044 2.072 1.00 0.00 H new ATOM 861 N ASN A 54 -3.827 9.337 4.919 1.00 0.00 N ATOM 862 CA ASN A 54 -3.635 10.179 6.094 1.00 0.00 C ATOM 863 C ASN A 54 -2.935 11.483 5.721 1.00 0.00 C ATOM 864 O ASN A 54 -3.339 12.561 6.154 1.00 0.00 O ATOM 865 CB ASN A 54 -2.821 9.435 7.154 1.00 0.00 C ATOM 866 CG ASN A 54 -2.918 10.085 8.520 1.00 0.00 C ATOM 867 OD1 ASN A 54 -2.507 11.231 8.706 1.00 0.00 O ATOM 868 ND2 ASN A 54 -3.464 9.354 9.485 1.00 0.00 N ATOM 0 H ASN A 54 -3.540 8.366 5.045 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.617 10.418 6.502 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.171 8.405 7.219 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.776 9.398 6.846 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.556 9.738 10.425 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.791 8.409 9.286 1.00 0.00 H new ATOM 875 N GLN A 55 -1.885 11.374 4.914 1.00 0.00 N ATOM 876 CA GLN A 55 -1.128 12.543 4.483 1.00 0.00 C ATOM 877 C GLN A 55 -2.056 13.610 3.910 1.00 0.00 C ATOM 878 O GLN A 55 -2.008 14.770 4.317 1.00 0.00 O ATOM 879 CB GLN A 55 -0.083 12.145 3.440 1.00 0.00 C ATOM 880 CG GLN A 55 1.136 11.456 4.032 1.00 0.00 C ATOM 881 CD GLN A 55 2.122 12.435 4.638 1.00 0.00 C ATOM 882 OE1 GLN A 55 2.161 13.607 4.263 1.00 0.00 O ATOM 883 NE2 GLN A 55 2.926 11.958 5.581 1.00 0.00 N ATOM 0 H GLN A 55 -1.539 10.488 4.545 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.620 12.958 5.354 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.546 11.482 2.709 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.239 13.037 2.902 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.814 10.750 4.797 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.635 10.878 3.255 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.859 10.979 5.861 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.610 12.570 6.025 1.00 0.00 H new ATOM 892 N GLU A 56 -2.899 13.208 2.963 1.00 0.00 N ATOM 893 CA GLU A 56 -3.836 14.131 2.334 1.00 0.00 C ATOM 894 C GLU A 56 -4.521 15.007 3.379 1.00 0.00 C ATOM 895 O GLU A 56 -5.482 14.588 4.024 1.00 0.00 O ATOM 896 CB GLU A 56 -4.886 13.359 1.533 1.00 0.00 C ATOM 897 CG GLU A 56 -4.320 12.646 0.316 1.00 0.00 C ATOM 898 CD GLU A 56 -4.185 13.560 -0.886 1.00 0.00 C ATOM 899 OE1 GLU A 56 -3.145 14.243 -0.999 1.00 0.00 O ATOM 900 OE2 GLU A 56 -5.120 13.593 -1.713 1.00 0.00 O ATOM 0 H GLU A 56 -2.952 12.251 2.615 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.274 14.775 1.657 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.361 12.626 2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.664 14.050 1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.343 12.232 0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.966 11.807 0.059 1.00 0.00 H new ATOM 907 N LYS A 57 -4.019 16.227 3.540 1.00 0.00 N ATOM 908 CA LYS A 57 -4.581 17.165 4.505 1.00 0.00 C ATOM 909 C LYS A 57 -6.092 17.284 4.331 1.00 0.00 C ATOM 910 O LYS A 57 -6.611 17.323 3.216 1.00 0.00 O ATOM 911 CB LYS A 57 -3.929 18.540 4.350 1.00 0.00 C ATOM 912 CG LYS A 57 -4.849 19.694 4.711 1.00 0.00 C ATOM 913 CD LYS A 57 -4.069 20.881 5.250 1.00 0.00 C ATOM 914 CE LYS A 57 -3.554 20.618 6.657 1.00 0.00 C ATOM 915 NZ LYS A 57 -2.334 21.416 6.959 1.00 0.00 N ATOM 0 H LYS A 57 -3.224 16.589 3.014 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.377 16.784 5.506 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.040 18.584 4.979 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.596 18.661 3.319 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.415 19.999 3.831 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.573 19.364 5.456 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.230 21.097 4.589 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.707 21.765 5.254 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.333 20.859 7.380 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.331 19.557 6.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.014 21.209 7.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.582 21.168 6.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.553 22.429 6.876 1.00 0.00 H new ATOM 929 N PRO A 58 -6.815 17.344 5.459 1.00 0.00 N ATOM 930 CA PRO A 58 -8.276 17.462 5.457 1.00 0.00 C ATOM 931 C PRO A 58 -8.747 18.827 4.966 1.00 0.00 C ATOM 932 O PRO A 58 -7.936 19.705 4.671 1.00 0.00 O ATOM 933 CB PRO A 58 -8.650 17.266 6.929 1.00 0.00 C ATOM 934 CG PRO A 58 -7.435 17.677 7.686 1.00 0.00 C ATOM 935 CD PRO A 58 -6.262 17.303 6.823 1.00 0.00 C ATOM 0 HA PRO A 58 -8.742 16.742 4.785 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.512 17.874 7.203 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -8.913 16.229 7.136 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.445 18.748 7.888 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.387 17.171 8.650 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -5.436 18.004 6.943 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.879 16.313 7.072 1.00 0.00 H new ATOM 943 N SER A 59 -10.062 18.999 4.882 1.00 0.00 N ATOM 944 CA SER A 59 -10.641 20.256 4.423 1.00 0.00 C ATOM 945 C SER A 59 -11.586 20.834 5.472 1.00 0.00 C ATOM 946 O SER A 59 -12.739 20.418 5.581 1.00 0.00 O ATOM 947 CB SER A 59 -11.389 20.047 3.105 1.00 0.00 C ATOM 948 OG SER A 59 -12.227 21.152 2.813 1.00 0.00 O ATOM 0 H SER A 59 -10.747 18.284 5.126 1.00 0.00 H new ATOM 0 HA SER A 59 -9.828 20.964 4.262 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.673 19.906 2.295 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.988 19.138 3.163 1.00 0.00 H new ATOM 0 HG SER A 59 -12.693 20.994 1.965 1.00 0.00 H new ATOM 954 N GLY A 60 -11.088 21.797 6.243 1.00 0.00 N ATOM 955 CA GLY A 60 -11.901 22.416 7.273 1.00 0.00 C ATOM 956 C GLY A 60 -13.250 22.871 6.753 1.00 0.00 C ATOM 957 O GLY A 60 -14.276 22.230 6.981 1.00 0.00 O ATOM 0 H GLY A 60 -10.137 22.159 6.172 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.050 21.708 8.088 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.368 23.272 7.687 1.00 0.00 H new ATOM 961 N PRO A 61 -13.260 24.005 6.037 1.00 0.00 N ATOM 962 CA PRO A 61 -14.487 24.572 5.469 1.00 0.00 C ATOM 963 C PRO A 61 -15.039 23.729 4.324 1.00 0.00 C ATOM 964 O PRO A 61 -14.287 23.062 3.614 1.00 0.00 O ATOM 965 CB PRO A 61 -14.041 25.943 4.956 1.00 0.00 C ATOM 966 CG PRO A 61 -12.582 25.794 4.696 1.00 0.00 C ATOM 967 CD PRO A 61 -12.075 24.822 5.726 1.00 0.00 C ATOM 0 HA PRO A 61 -15.292 24.618 6.203 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -14.578 26.220 4.049 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.234 26.723 5.692 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.401 25.423 3.687 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.071 26.753 4.779 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -11.259 24.214 5.337 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -11.697 25.335 6.611 1.00 0.00 H new ATOM 975 N SER A 62 -16.357 23.764 4.151 1.00 0.00 N ATOM 976 CA SER A 62 -17.009 23.000 3.095 1.00 0.00 C ATOM 977 C SER A 62 -18.030 23.859 2.354 1.00 0.00 C ATOM 978 O SER A 62 -18.100 23.838 1.126 1.00 0.00 O ATOM 979 CB SER A 62 -17.695 21.763 3.679 1.00 0.00 C ATOM 980 OG SER A 62 -17.820 20.741 2.705 1.00 0.00 O ATOM 0 H SER A 62 -16.993 24.313 4.729 1.00 0.00 H new ATOM 0 HA SER A 62 -16.244 22.682 2.386 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.121 21.392 4.528 1.00 0.00 H new ATOM 0 HB3 SER A 62 -18.682 22.034 4.055 1.00 0.00 H new ATOM 0 HG SER A 62 -18.260 19.961 3.104 1.00 0.00 H new ATOM 986 N SER A 63 -18.819 24.614 3.112 1.00 0.00 N ATOM 987 CA SER A 63 -19.839 25.478 2.529 1.00 0.00 C ATOM 988 C SER A 63 -19.309 26.897 2.346 1.00 0.00 C ATOM 989 O SER A 63 -19.116 27.630 3.315 1.00 0.00 O ATOM 990 CB SER A 63 -21.087 25.498 3.414 1.00 0.00 C ATOM 991 OG SER A 63 -22.243 25.812 2.658 1.00 0.00 O ATOM 0 H SER A 63 -18.772 24.645 4.130 1.00 0.00 H new ATOM 0 HA SER A 63 -20.103 25.078 1.550 1.00 0.00 H new ATOM 0 HB2 SER A 63 -21.214 24.526 3.891 1.00 0.00 H new ATOM 0 HB3 SER A 63 -20.960 26.231 4.211 1.00 0.00 H new ATOM 0 HG SER A 63 -23.027 25.817 3.246 1.00 0.00 H new ATOM 997 N GLY A 64 -19.075 27.278 1.094 1.00 0.00 N ATOM 998 CA GLY A 64 -18.569 28.607 0.805 1.00 0.00 C ATOM 999 C GLY A 64 -17.097 28.601 0.443 1.00 0.00 C ATOM 1000 O GLY A 64 -16.675 27.874 -0.456 1.00 0.00 O ATOM 0 H GLY A 64 -19.227 26.690 0.275 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.140 29.039 -0.017 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -18.724 29.248 1.673 1.00 0.00 H new TER 1004 GLY A 64