USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 516 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 38 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 63 SER OG : rot 160:sc= 0 USER MOD Single : A 1 ASN : amide:sc= -0.925 K(o=-0.93,f=-2.4!) USER MOD Single : A 1 ASN N :NH3+ -120:sc= 0.773 (180deg=-0.0817) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.451 X(o=-0.45,f=-0.61) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot -114:sc= 0.396 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0131 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 139:sc= 0.518 (180deg=-2.61!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.0236 K(o=-0.024,f=-3!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 87:sc= 0.00056 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0193 X(o=-0.019,f=0.25) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -0.42 F(o=-1.5,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -12.357 -1.206 13.735 1.00 0.00 N ATOM 2 CA ASN A 1 -12.936 -1.531 12.407 1.00 0.00 C ATOM 3 C ASN A 1 -12.333 -2.832 11.906 1.00 0.00 C ATOM 4 O ASN A 1 -11.324 -3.264 12.451 1.00 0.00 O ATOM 5 CB ASN A 1 -12.704 -0.418 11.343 1.00 0.00 C ATOM 6 CG ASN A 1 -11.328 0.249 11.378 1.00 0.00 C ATOM 7 OD1 ASN A 1 -10.881 0.702 12.413 1.00 0.00 O ATOM 8 ND2 ASN A 1 -10.599 0.303 10.288 1.00 0.00 N ATOM 0 H1 ASN A 1 -13.117 -1.158 14.443 1.00 0.00 H new ATOM 0 H2 ASN A 1 -11.677 -1.944 14.007 1.00 0.00 H new ATOM 0 H3 ASN A 1 -11.870 -0.288 13.686 1.00 0.00 H new ATOM 0 HA ASN A 1 -14.014 -1.620 12.544 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -12.855 -0.849 10.353 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -13.465 0.351 11.475 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -9.669 0.722 10.316 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -10.962 -0.074 9.412 1.00 0.00 H new ATOM 17 N GLU A 2 -12.858 -3.365 10.800 1.00 0.00 N ATOM 18 CA GLU A 2 -12.443 -4.674 10.282 1.00 0.00 C ATOM 19 C GLU A 2 -11.351 -4.535 9.221 1.00 0.00 C ATOM 20 O GLU A 2 -10.411 -5.319 9.191 1.00 0.00 O ATOM 21 CB GLU A 2 -13.637 -5.398 9.652 1.00 0.00 C ATOM 22 CG GLU A 2 -14.987 -5.204 10.363 1.00 0.00 C ATOM 23 CD GLU A 2 -14.857 -5.452 11.862 1.00 0.00 C ATOM 24 OE1 GLU A 2 -14.222 -6.470 12.213 1.00 0.00 O ATOM 25 OE2 GLU A 2 -15.181 -4.501 12.615 1.00 0.00 O ATOM 0 H GLU A 2 -13.577 -2.907 10.241 1.00 0.00 H new ATOM 0 HA GLU A 2 -12.053 -5.245 11.124 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.739 -5.061 8.620 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -13.415 -6.465 9.619 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -15.351 -4.192 10.189 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -15.725 -5.886 9.941 1.00 0.00 H new ATOM 32 N CYS A 3 -11.413 -3.496 8.379 1.00 0.00 N ATOM 33 CA CYS A 3 -10.402 -3.228 7.348 1.00 0.00 C ATOM 34 C CYS A 3 -8.989 -3.212 7.949 1.00 0.00 C ATOM 35 O CYS A 3 -8.132 -4.011 7.563 1.00 0.00 O ATOM 36 CB CYS A 3 -10.716 -1.882 6.695 1.00 0.00 C ATOM 37 SG CYS A 3 -12.150 -1.961 5.620 1.00 0.00 S ATOM 0 H CYS A 3 -12.171 -2.813 8.394 1.00 0.00 H new ATOM 0 HA CYS A 3 -10.432 -4.022 6.602 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -10.888 -1.136 7.471 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -9.852 -1.550 6.120 1.00 0.00 H new ATOM 42 N VAL A 4 -8.782 -2.358 8.961 1.00 0.00 N ATOM 43 CA VAL A 4 -7.514 -2.289 9.706 1.00 0.00 C ATOM 44 C VAL A 4 -7.110 -3.626 10.334 1.00 0.00 C ATOM 45 O VAL A 4 -5.933 -3.967 10.307 1.00 0.00 O ATOM 46 CB VAL A 4 -7.564 -1.178 10.772 1.00 0.00 C ATOM 47 CG1 VAL A 4 -8.325 -1.591 12.045 1.00 0.00 C ATOM 48 CG2 VAL A 4 -6.159 -0.679 11.126 1.00 0.00 C ATOM 0 H VAL A 4 -9.486 -1.696 9.287 1.00 0.00 H new ATOM 0 HA VAL A 4 -6.742 -2.046 8.976 1.00 0.00 H new ATOM 0 HB VAL A 4 -8.125 -0.360 10.321 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.323 -0.764 12.755 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.353 -1.846 11.788 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -7.838 -2.456 12.495 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.230 0.104 11.881 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.567 -1.506 11.517 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.679 -0.279 10.233 1.00 0.00 H new ATOM 58 N SER A 5 -8.093 -4.422 10.786 1.00 0.00 N ATOM 59 CA SER A 5 -7.897 -5.751 11.379 1.00 0.00 C ATOM 60 C SER A 5 -7.287 -6.744 10.393 1.00 0.00 C ATOM 61 O SER A 5 -6.609 -7.691 10.795 1.00 0.00 O ATOM 62 CB SER A 5 -9.238 -6.330 11.853 1.00 0.00 C ATOM 63 OG SER A 5 -9.017 -7.352 12.799 1.00 0.00 O ATOM 0 H SER A 5 -9.075 -4.148 10.747 1.00 0.00 H new ATOM 0 HA SER A 5 -7.212 -5.613 12.215 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.848 -5.541 12.294 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.794 -6.725 11.002 1.00 0.00 H new ATOM 0 HG SER A 5 -9.878 -7.714 13.097 1.00 0.00 H new ATOM 69 N LYS A 6 -7.517 -6.538 9.089 1.00 0.00 N ATOM 70 CA LYS A 6 -6.847 -7.296 8.038 1.00 0.00 C ATOM 71 C LYS A 6 -5.625 -6.611 7.433 1.00 0.00 C ATOM 72 O LYS A 6 -4.915 -7.276 6.681 1.00 0.00 O ATOM 73 CB LYS A 6 -7.872 -7.602 6.956 1.00 0.00 C ATOM 74 CG LYS A 6 -8.649 -8.896 7.209 1.00 0.00 C ATOM 75 CD LYS A 6 -7.980 -10.116 6.558 1.00 0.00 C ATOM 76 CE LYS A 6 -6.710 -10.478 7.335 1.00 0.00 C ATOM 77 NZ LYS A 6 -6.123 -11.746 6.853 1.00 0.00 N ATOM 0 H LYS A 6 -8.174 -5.840 8.739 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.454 -8.204 8.496 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.575 -6.772 6.885 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.365 -7.673 5.994 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.734 -9.062 8.283 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.662 -8.790 6.821 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.668 -10.961 6.551 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.734 -9.898 5.519 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.979 -9.676 7.234 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.944 -10.564 8.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.265 -11.961 7.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.812 -12.515 6.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.878 -11.655 5.846 1.00 0.00 H new ATOM 91 N GLY A 7 -5.394 -5.339 7.755 1.00 0.00 N ATOM 92 CA GLY A 7 -4.295 -4.537 7.228 1.00 0.00 C ATOM 93 C GLY A 7 -4.628 -3.872 5.897 1.00 0.00 C ATOM 94 O GLY A 7 -3.713 -3.686 5.107 1.00 0.00 O ATOM 0 H GLY A 7 -5.984 -4.825 8.409 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.031 -3.769 7.955 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.418 -5.171 7.102 1.00 0.00 H new ATOM 98 N PHE A 8 -5.903 -3.543 5.633 1.00 0.00 N ATOM 99 CA PHE A 8 -6.350 -2.806 4.440 1.00 0.00 C ATOM 100 C PHE A 8 -6.334 -1.284 4.629 1.00 0.00 C ATOM 101 O PHE A 8 -6.249 -0.777 5.751 1.00 0.00 O ATOM 102 CB PHE A 8 -7.764 -3.252 4.050 1.00 0.00 C ATOM 103 CG PHE A 8 -7.798 -4.661 3.521 1.00 0.00 C ATOM 104 CD1 PHE A 8 -7.220 -4.962 2.272 1.00 0.00 C ATOM 105 CD2 PHE A 8 -8.389 -5.675 4.285 1.00 0.00 C ATOM 106 CE1 PHE A 8 -7.248 -6.283 1.783 1.00 0.00 C ATOM 107 CE2 PHE A 8 -8.379 -6.993 3.799 1.00 0.00 C ATOM 108 CZ PHE A 8 -7.832 -7.308 2.543 1.00 0.00 C ATOM 0 H PHE A 8 -6.670 -3.788 6.259 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.640 -3.040 3.647 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -8.418 -3.178 4.919 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.160 -2.574 3.294 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.755 -4.180 1.689 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -8.847 -5.447 5.236 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.818 -6.508 0.818 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.801 -7.782 4.404 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.861 -8.321 2.170 1.00 0.00 H new ATOM 118 N GLY A 9 -6.505 -0.558 3.517 1.00 0.00 N ATOM 119 CA GLY A 9 -6.517 0.903 3.476 1.00 0.00 C ATOM 120 C GLY A 9 -7.870 1.441 3.027 1.00 0.00 C ATOM 121 O GLY A 9 -8.454 1.007 2.033 1.00 0.00 O ATOM 0 H GLY A 9 -6.642 -0.984 2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.278 1.297 4.464 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.741 1.255 2.796 1.00 0.00 H new ATOM 125 N CYS A 10 -8.403 2.381 3.794 1.00 0.00 N ATOM 126 CA CYS A 10 -9.648 3.052 3.455 1.00 0.00 C ATOM 127 C CYS A 10 -9.430 4.088 2.383 1.00 0.00 C ATOM 128 O CYS A 10 -8.538 4.912 2.545 1.00 0.00 O ATOM 129 CB CYS A 10 -10.179 3.742 4.703 1.00 0.00 C ATOM 130 SG CYS A 10 -10.406 2.598 6.066 1.00 0.00 S ATOM 0 H CYS A 10 -7.984 2.699 4.668 1.00 0.00 H new ATOM 0 HA CYS A 10 -10.357 2.312 3.083 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -9.487 4.529 5.003 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -11.129 4.224 4.473 1.00 0.00 H new ATOM 135 N LEU A 11 -10.278 4.089 1.351 1.00 0.00 N ATOM 136 CA LEU A 11 -10.187 5.081 0.271 1.00 0.00 C ATOM 137 C LEU A 11 -11.576 5.503 -0.209 1.00 0.00 C ATOM 138 O LEU A 11 -12.552 4.832 0.114 1.00 0.00 O ATOM 139 CB LEU A 11 -9.322 4.512 -0.878 1.00 0.00 C ATOM 140 CG LEU A 11 -7.804 4.522 -0.593 1.00 0.00 C ATOM 141 CD1 LEU A 11 -7.048 3.906 -1.768 1.00 0.00 C ATOM 142 CD2 LEU A 11 -7.281 5.946 -0.365 1.00 0.00 C ATOM 0 H LEU A 11 -11.036 3.415 1.239 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.704 5.982 0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.635 3.488 -1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.514 5.089 -1.782 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.639 3.939 0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.978 3.917 -1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.378 2.878 -1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.247 4.483 -2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.210 5.913 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.468 6.549 -1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.794 6.390 0.489 1.00 0.00 H new ATOM 154 N PRO A 12 -11.730 6.626 -0.925 1.00 0.00 N ATOM 155 CA PRO A 12 -13.011 7.016 -1.509 1.00 0.00 C ATOM 156 C PRO A 12 -13.387 6.103 -2.664 1.00 0.00 C ATOM 157 O PRO A 12 -12.523 5.792 -3.468 1.00 0.00 O ATOM 158 CB PRO A 12 -12.825 8.472 -1.953 1.00 0.00 C ATOM 159 CG PRO A 12 -11.319 8.604 -2.166 1.00 0.00 C ATOM 160 CD PRO A 12 -10.706 7.621 -1.178 1.00 0.00 C ATOM 0 HA PRO A 12 -13.832 6.927 -0.798 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.378 8.684 -2.868 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.184 9.169 -1.196 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.041 8.361 -3.192 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.979 9.622 -1.976 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.807 7.162 -1.590 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.413 8.124 -0.256 1.00 0.00 H new ATOM 168 N GLN A 13 -14.669 5.732 -2.814 1.00 0.00 N ATOM 169 CA GLN A 13 -15.157 4.892 -3.941 1.00 0.00 C ATOM 170 C GLN A 13 -14.840 5.431 -5.348 1.00 0.00 C ATOM 171 O GLN A 13 -14.939 4.682 -6.317 1.00 0.00 O ATOM 172 CB GLN A 13 -16.683 4.832 -3.886 1.00 0.00 C ATOM 173 CG GLN A 13 -17.212 3.968 -2.750 1.00 0.00 C ATOM 174 CD GLN A 13 -18.711 3.748 -2.850 1.00 0.00 C ATOM 175 OE1 GLN A 13 -19.460 4.583 -3.310 1.00 0.00 O ATOM 176 NE2 GLN A 13 -19.198 2.587 -2.476 1.00 0.00 N ATOM 0 H GLN A 13 -15.404 6.002 -2.161 1.00 0.00 H new ATOM 0 HA GLN A 13 -14.650 3.936 -3.810 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -17.076 5.843 -3.777 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -17.059 4.444 -4.833 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -16.703 3.004 -2.761 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -16.978 4.441 -1.796 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -18.579 1.876 -2.087 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -20.195 2.397 -2.574 1.00 0.00 H new ATOM 185 N SER A 14 -14.570 6.731 -5.454 1.00 0.00 N ATOM 186 CA SER A 14 -14.027 7.380 -6.651 1.00 0.00 C ATOM 187 C SER A 14 -12.578 6.960 -6.973 1.00 0.00 C ATOM 188 O SER A 14 -12.309 6.545 -8.094 1.00 0.00 O ATOM 189 CB SER A 14 -14.118 8.895 -6.448 1.00 0.00 C ATOM 190 OG SER A 14 -13.894 9.556 -7.668 1.00 0.00 O ATOM 0 H SER A 14 -14.727 7.384 -4.686 1.00 0.00 H new ATOM 0 HA SER A 14 -14.618 7.062 -7.510 1.00 0.00 H new ATOM 0 HB2 SER A 14 -15.100 9.160 -6.056 1.00 0.00 H new ATOM 0 HB3 SER A 14 -13.383 9.216 -5.710 1.00 0.00 H new ATOM 0 HG SER A 14 -13.955 10.524 -7.531 1.00 0.00 H new ATOM 196 N ASP A 15 -11.676 6.982 -5.980 1.00 0.00 N ATOM 197 CA ASP A 15 -10.291 6.481 -6.122 1.00 0.00 C ATOM 198 C ASP A 15 -10.230 4.930 -6.163 1.00 0.00 C ATOM 199 O ASP A 15 -9.611 4.303 -7.022 1.00 0.00 O ATOM 200 CB ASP A 15 -9.473 7.050 -4.943 1.00 0.00 C ATOM 201 CG ASP A 15 -7.951 6.988 -5.107 1.00 0.00 C ATOM 202 OD1 ASP A 15 -7.439 5.959 -5.589 1.00 0.00 O ATOM 203 OD2 ASP A 15 -7.317 7.964 -4.652 1.00 0.00 O ATOM 0 H ASP A 15 -11.883 7.348 -5.051 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.873 6.814 -7.072 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.763 8.090 -4.791 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.746 6.507 -4.038 1.00 0.00 H new ATOM 208 N CYS A 16 -10.970 4.275 -5.267 1.00 0.00 N ATOM 209 CA CYS A 16 -10.977 2.826 -5.171 1.00 0.00 C ATOM 210 C CYS A 16 -11.867 2.156 -6.246 1.00 0.00 C ATOM 211 O CYS A 16 -13.103 2.276 -6.187 1.00 0.00 O ATOM 212 CB CYS A 16 -11.438 2.414 -3.775 1.00 0.00 C ATOM 213 SG CYS A 16 -11.083 0.689 -3.453 1.00 0.00 S ATOM 0 H CYS A 16 -11.578 4.739 -4.592 1.00 0.00 H new ATOM 0 HA CYS A 16 -9.959 2.481 -5.351 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -10.942 3.035 -3.029 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -12.509 2.591 -3.677 1.00 0.00 H new ATOM 218 N PRO A 17 -11.300 1.352 -7.160 1.00 0.00 N ATOM 219 CA PRO A 17 -12.072 0.730 -8.225 1.00 0.00 C ATOM 220 C PRO A 17 -13.119 -0.244 -7.678 1.00 0.00 C ATOM 221 O PRO A 17 -12.909 -0.858 -6.628 1.00 0.00 O ATOM 222 CB PRO A 17 -11.043 -0.006 -9.067 1.00 0.00 C ATOM 223 CG PRO A 17 -9.884 -0.299 -8.130 1.00 0.00 C ATOM 224 CD PRO A 17 -9.922 0.882 -7.167 1.00 0.00 C ATOM 0 HA PRO A 17 -12.632 1.470 -8.797 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -11.458 -0.927 -9.477 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -10.720 0.602 -9.912 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -10.014 -1.249 -7.611 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.936 -0.355 -8.665 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -9.608 0.581 -6.168 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -9.243 1.671 -7.490 1.00 0.00 H new ATOM 232 N GLN A 18 -14.208 -0.472 -8.430 1.00 0.00 N ATOM 233 CA GLN A 18 -15.269 -1.425 -8.050 1.00 0.00 C ATOM 234 C GLN A 18 -14.754 -2.839 -7.712 1.00 0.00 C ATOM 235 O GLN A 18 -15.346 -3.508 -6.872 1.00 0.00 O ATOM 236 CB GLN A 18 -16.388 -1.455 -9.111 1.00 0.00 C ATOM 237 CG GLN A 18 -15.988 -2.141 -10.434 1.00 0.00 C ATOM 238 CD GLN A 18 -16.207 -3.670 -10.423 1.00 0.00 C ATOM 239 OE1 GLN A 18 -15.347 -4.526 -10.467 1.00 0.00 O ATOM 240 NE2 GLN A 18 -17.425 -4.127 -10.304 1.00 0.00 N ATOM 0 H GLN A 18 -14.380 -0.002 -9.319 1.00 0.00 H new ATOM 0 HA GLN A 18 -15.690 -1.052 -7.116 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -17.254 -1.970 -8.695 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -16.698 -0.432 -9.325 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -16.565 -1.705 -11.250 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -14.938 -1.933 -10.639 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -18.211 -3.478 -10.259 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -17.590 -5.132 -10.256 1.00 0.00 H new ATOM 249 N GLU A 19 -13.630 -3.242 -8.310 1.00 0.00 N ATOM 250 CA GLU A 19 -12.947 -4.522 -8.114 1.00 0.00 C ATOM 251 C GLU A 19 -12.058 -4.545 -6.864 1.00 0.00 C ATOM 252 O GLU A 19 -11.637 -5.616 -6.427 1.00 0.00 O ATOM 253 CB GLU A 19 -12.060 -4.856 -9.338 1.00 0.00 C ATOM 254 CG GLU A 19 -11.136 -3.717 -9.836 1.00 0.00 C ATOM 255 CD GLU A 19 -11.703 -2.855 -10.986 1.00 0.00 C ATOM 256 OE1 GLU A 19 -12.927 -2.886 -11.208 1.00 0.00 O ATOM 257 OE2 GLU A 19 -10.927 -2.048 -11.540 1.00 0.00 O ATOM 0 H GLU A 19 -13.145 -2.649 -8.983 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.737 -5.263 -7.988 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.440 -5.717 -9.089 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -12.709 -5.157 -10.161 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.908 -3.064 -8.994 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.193 -4.155 -10.164 1.00 0.00 H new ATOM 264 N ALA A 20 -11.681 -3.385 -6.325 1.00 0.00 N ATOM 265 CA ALA A 20 -10.981 -3.259 -5.052 1.00 0.00 C ATOM 266 C ALA A 20 -11.911 -2.956 -3.887 1.00 0.00 C ATOM 267 O ALA A 20 -11.484 -3.221 -2.772 1.00 0.00 O ATOM 268 CB ALA A 20 -9.961 -2.139 -5.146 1.00 0.00 C ATOM 0 H ALA A 20 -11.860 -2.487 -6.775 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.507 -4.221 -4.861 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.437 -2.043 -4.195 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.244 -2.366 -5.935 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.469 -1.202 -5.376 1.00 0.00 H new ATOM 274 N ARG A 21 -13.116 -2.411 -4.110 1.00 0.00 N ATOM 275 CA ARG A 21 -14.113 -2.164 -3.055 1.00 0.00 C ATOM 276 C ARG A 21 -14.423 -3.438 -2.275 1.00 0.00 C ATOM 277 O ARG A 21 -15.011 -4.370 -2.814 1.00 0.00 O ATOM 278 CB ARG A 21 -15.414 -1.616 -3.638 1.00 0.00 C ATOM 279 CG ARG A 21 -15.222 -0.235 -4.265 1.00 0.00 C ATOM 280 CD ARG A 21 -16.588 0.326 -4.641 1.00 0.00 C ATOM 281 NE ARG A 21 -16.441 1.541 -5.462 1.00 0.00 N ATOM 282 CZ ARG A 21 -17.363 1.999 -6.287 1.00 0.00 C ATOM 283 NH1 ARG A 21 -18.535 1.434 -6.389 1.00 0.00 N ATOM 284 NH2 ARG A 21 -17.133 3.046 -7.017 1.00 0.00 N ATOM 0 H ARG A 21 -13.430 -2.126 -5.038 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.679 -1.425 -2.381 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.793 -2.307 -4.391 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -16.167 -1.556 -2.852 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.720 0.432 -3.564 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -14.587 -0.306 -5.148 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -17.157 -0.424 -5.190 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -17.154 0.557 -3.738 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.568 2.063 -5.387 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -18.758 0.616 -5.822 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -19.228 1.810 -7.036 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.233 3.523 -6.956 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.852 3.393 -7.652 1.00 0.00 H new ATOM 298 N LEU A 22 -14.020 -3.476 -1.010 1.00 0.00 N ATOM 299 CA LEU A 22 -14.217 -4.651 -0.162 1.00 0.00 C ATOM 300 C LEU A 22 -15.510 -4.496 0.656 1.00 0.00 C ATOM 301 O LEU A 22 -16.105 -3.417 0.731 1.00 0.00 O ATOM 302 CB LEU A 22 -13.009 -4.839 0.775 1.00 0.00 C ATOM 303 CG LEU A 22 -11.587 -4.661 0.184 1.00 0.00 C ATOM 304 CD1 LEU A 22 -10.566 -4.163 1.205 1.00 0.00 C ATOM 305 CD2 LEU A 22 -11.090 -5.940 -0.491 1.00 0.00 C ATOM 0 H LEU A 22 -13.550 -2.700 -0.544 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.305 -5.534 -0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.116 -4.136 1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.070 -5.841 1.199 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.682 -3.883 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.592 -4.060 0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.883 -3.195 1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.493 -4.878 2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.090 -5.775 -0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.059 -6.748 0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.767 -6.210 -1.302 1.00 0.00 H new ATOM 317 N SER A 23 -15.866 -5.549 1.389 1.00 0.00 N ATOM 318 CA SER A 23 -17.049 -5.605 2.267 1.00 0.00 C ATOM 319 C SER A 23 -16.684 -5.825 3.733 1.00 0.00 C ATOM 320 O SER A 23 -17.488 -6.312 4.519 1.00 0.00 O ATOM 321 CB SER A 23 -18.032 -6.660 1.756 1.00 0.00 C ATOM 322 OG SER A 23 -18.595 -6.190 0.549 1.00 0.00 O ATOM 0 H SER A 23 -15.328 -6.416 1.394 1.00 0.00 H new ATOM 0 HA SER A 23 -17.537 -4.631 2.229 1.00 0.00 H new ATOM 0 HB2 SER A 23 -17.521 -7.609 1.593 1.00 0.00 H new ATOM 0 HB3 SER A 23 -18.813 -6.841 2.494 1.00 0.00 H new ATOM 0 HG SER A 23 -19.228 -6.853 0.203 1.00 0.00 H new ATOM 328 N TYR A 24 -15.468 -5.424 4.117 1.00 0.00 N ATOM 329 CA TYR A 24 -15.035 -5.476 5.511 1.00 0.00 C ATOM 330 C TYR A 24 -15.832 -4.512 6.401 1.00 0.00 C ATOM 331 O TYR A 24 -15.843 -4.725 7.592 1.00 0.00 O ATOM 332 CB TYR A 24 -13.528 -5.179 5.596 1.00 0.00 C ATOM 333 CG TYR A 24 -12.665 -6.287 5.043 1.00 0.00 C ATOM 334 CD1 TYR A 24 -12.413 -7.448 5.802 1.00 0.00 C ATOM 335 CD2 TYR A 24 -12.143 -6.159 3.749 1.00 0.00 C ATOM 336 CE1 TYR A 24 -11.692 -8.507 5.212 1.00 0.00 C ATOM 337 CE2 TYR A 24 -11.432 -7.216 3.149 1.00 0.00 C ATOM 338 CZ TYR A 24 -11.232 -8.408 3.874 1.00 0.00 C ATOM 339 OH TYR A 24 -10.469 -9.396 3.331 1.00 0.00 O ATOM 0 H TYR A 24 -14.765 -5.058 3.475 1.00 0.00 H new ATOM 0 HA TYR A 24 -15.227 -6.481 5.886 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -13.316 -4.258 5.053 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -13.258 -5.004 6.637 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -12.767 -7.525 6.820 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -12.288 -5.238 3.205 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -11.489 -9.400 5.784 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.045 -7.115 2.146 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.569 -9.052 3.150 1.00 0.00 H new ATOM 349 N GLY A 25 -16.488 -3.469 5.877 1.00 0.00 N ATOM 350 CA GLY A 25 -17.329 -2.539 6.655 1.00 0.00 C ATOM 351 C GLY A 25 -16.573 -1.892 7.817 1.00 0.00 C ATOM 352 O GLY A 25 -16.752 -2.199 8.989 1.00 0.00 O ATOM 0 H GLY A 25 -16.451 -3.240 4.884 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.708 -1.759 5.995 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -18.194 -3.076 7.044 1.00 0.00 H new ATOM 356 N GLY A 26 -15.686 -0.962 7.489 1.00 0.00 N ATOM 357 CA GLY A 26 -14.818 -0.364 8.496 1.00 0.00 C ATOM 358 C GLY A 26 -13.918 0.721 7.942 1.00 0.00 C ATOM 359 O GLY A 26 -12.806 0.900 8.436 1.00 0.00 O ATOM 0 H GLY A 26 -15.549 -0.607 6.543 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.432 0.055 9.293 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.202 -1.144 8.944 1.00 0.00 H new ATOM 363 N CYS A 27 -14.383 1.394 6.894 1.00 0.00 N ATOM 364 CA CYS A 27 -13.703 2.533 6.295 1.00 0.00 C ATOM 365 C CYS A 27 -14.635 3.715 6.128 1.00 0.00 C ATOM 366 O CYS A 27 -15.835 3.492 6.015 1.00 0.00 O ATOM 367 CB CYS A 27 -13.143 2.082 4.951 1.00 0.00 C ATOM 368 SG CYS A 27 -11.587 1.226 5.172 1.00 0.00 S ATOM 0 H CYS A 27 -15.260 1.157 6.430 1.00 0.00 H new ATOM 0 HA CYS A 27 -12.898 2.868 6.949 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -13.858 1.426 4.455 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -13.000 2.946 4.302 1.00 0.00 H new ATOM 373 N SER A 28 -14.063 4.926 6.032 1.00 0.00 N ATOM 374 CA SER A 28 -14.801 6.202 5.925 1.00 0.00 C ATOM 375 C SER A 28 -15.969 6.127 4.938 1.00 0.00 C ATOM 376 O SER A 28 -17.074 6.557 5.241 1.00 0.00 O ATOM 377 CB SER A 28 -13.833 7.300 5.465 1.00 0.00 C ATOM 378 OG SER A 28 -14.406 8.580 5.613 1.00 0.00 O ATOM 0 H SER A 28 -13.051 5.052 6.026 1.00 0.00 H new ATOM 0 HA SER A 28 -15.215 6.424 6.908 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.911 7.242 6.044 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.564 7.138 4.421 1.00 0.00 H new ATOM 0 HG SER A 28 -13.768 9.261 5.314 1.00 0.00 H new ATOM 384 N THR A 29 -15.701 5.575 3.752 1.00 0.00 N ATOM 385 CA THR A 29 -16.676 5.362 2.675 1.00 0.00 C ATOM 386 C THR A 29 -16.576 3.939 2.150 1.00 0.00 C ATOM 387 O THR A 29 -17.559 3.204 2.163 1.00 0.00 O ATOM 388 CB THR A 29 -16.506 6.408 1.552 1.00 0.00 C ATOM 389 OG1 THR A 29 -16.823 5.889 0.278 1.00 0.00 O ATOM 390 CG2 THR A 29 -15.094 6.986 1.441 1.00 0.00 C ATOM 0 H THR A 29 -14.766 5.252 3.505 1.00 0.00 H new ATOM 0 HA THR A 29 -17.679 5.498 3.080 1.00 0.00 H new ATOM 0 HB THR A 29 -17.200 7.196 1.844 1.00 0.00 H new ATOM 0 HG1 THR A 29 -16.702 6.587 -0.399 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.061 7.712 0.629 1.00 0.00 H new ATOM 0 HG22 THR A 29 -14.827 7.476 2.377 1.00 0.00 H new ATOM 0 HG23 THR A 29 -14.387 6.182 1.238 1.00 0.00 H new ATOM 398 N VAL A 30 -15.397 3.559 1.650 1.00 0.00 N ATOM 399 CA VAL A 30 -15.148 2.220 1.127 1.00 0.00 C ATOM 400 C VAL A 30 -13.758 1.729 1.525 1.00 0.00 C ATOM 401 O VAL A 30 -12.836 2.499 1.814 1.00 0.00 O ATOM 402 CB VAL A 30 -15.436 2.172 -0.379 1.00 0.00 C ATOM 403 CG1 VAL A 30 -14.355 2.824 -1.235 1.00 0.00 C ATOM 404 CG2 VAL A 30 -15.650 0.767 -0.922 1.00 0.00 C ATOM 0 H VAL A 30 -14.587 4.177 1.598 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.840 1.511 1.582 1.00 0.00 H new ATOM 0 HB VAL A 30 -16.362 2.741 -0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -14.630 2.750 -2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -14.256 3.874 -0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -13.405 2.315 -1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -15.848 0.817 -1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.756 0.169 -0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -16.499 0.307 -0.417 1.00 0.00 H new ATOM 414 N CYS A 31 -13.623 0.418 1.605 1.00 0.00 N ATOM 415 CA CYS A 31 -12.338 -0.203 1.854 1.00 0.00 C ATOM 416 C CYS A 31 -11.691 -0.564 0.520 1.00 0.00 C ATOM 417 O CYS A 31 -12.375 -1.107 -0.350 1.00 0.00 O ATOM 418 CB CYS A 31 -12.613 -1.432 2.706 1.00 0.00 C ATOM 419 SG CYS A 31 -11.276 -1.954 3.793 1.00 0.00 S ATOM 0 H CYS A 31 -14.395 -0.240 1.500 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.647 0.459 2.376 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -13.495 -1.237 3.316 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -12.861 -2.261 2.043 1.00 0.00 H new ATOM 424 N CYS A 32 -10.392 -0.302 0.392 1.00 0.00 N ATOM 425 CA CYS A 32 -9.608 -0.658 -0.781 1.00 0.00 C ATOM 426 C CYS A 32 -8.555 -1.727 -0.480 1.00 0.00 C ATOM 427 O CYS A 32 -7.890 -1.730 0.563 1.00 0.00 O ATOM 428 CB CYS A 32 -8.970 0.610 -1.342 1.00 0.00 C ATOM 429 SG CYS A 32 -9.075 0.681 -3.137 1.00 0.00 S ATOM 0 H CYS A 32 -9.849 0.171 1.114 1.00 0.00 H new ATOM 0 HA CYS A 32 -10.272 -1.099 -1.524 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -9.463 1.483 -0.915 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.924 0.655 -1.038 1.00 0.00 H new ATOM 434 N ASP A 33 -8.408 -2.647 -1.428 1.00 0.00 N ATOM 435 CA ASP A 33 -7.473 -3.755 -1.310 1.00 0.00 C ATOM 436 C ASP A 33 -6.052 -3.329 -1.668 1.00 0.00 C ATOM 437 O ASP A 33 -5.706 -3.235 -2.844 1.00 0.00 O ATOM 438 CB ASP A 33 -7.912 -4.944 -2.157 1.00 0.00 C ATOM 439 CG ASP A 33 -7.142 -6.186 -1.707 1.00 0.00 C ATOM 440 OD1 ASP A 33 -5.893 -6.099 -1.606 1.00 0.00 O ATOM 441 OD2 ASP A 33 -7.803 -7.213 -1.461 1.00 0.00 O ATOM 0 H ASP A 33 -8.936 -2.643 -2.301 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.473 -4.068 -0.266 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.985 -5.107 -2.051 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.723 -4.745 -3.212 1.00 0.00 H new ATOM 446 N LEU A 34 -5.212 -3.090 -0.664 1.00 0.00 N ATOM 447 CA LEU A 34 -3.835 -2.666 -0.898 1.00 0.00 C ATOM 448 C LEU A 34 -3.027 -3.723 -1.654 1.00 0.00 C ATOM 449 O LEU A 34 -2.240 -3.334 -2.505 1.00 0.00 O ATOM 450 CB LEU A 34 -3.137 -2.378 0.428 1.00 0.00 C ATOM 451 CG LEU A 34 -3.869 -1.391 1.353 1.00 0.00 C ATOM 452 CD1 LEU A 34 -3.308 -1.604 2.750 1.00 0.00 C ATOM 453 CD2 LEU A 34 -3.660 0.064 0.937 1.00 0.00 C ATOM 0 H LEU A 34 -5.462 -3.183 0.321 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.883 -1.764 -1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.002 -3.319 0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.142 -1.985 0.219 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.942 -1.577 1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.798 -0.923 3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.488 -2.633 3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.236 -1.408 2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.198 0.719 1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.597 0.302 0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.036 0.211 -0.075 1.00 0.00 H new ATOM 465 N SER A 35 -3.241 -5.016 -1.363 1.00 0.00 N ATOM 466 CA SER A 35 -2.581 -6.159 -2.020 1.00 0.00 C ATOM 467 C SER A 35 -2.844 -6.197 -3.530 1.00 0.00 C ATOM 468 O SER A 35 -1.952 -6.527 -4.314 1.00 0.00 O ATOM 469 CB SER A 35 -3.084 -7.471 -1.399 1.00 0.00 C ATOM 470 OG SER A 35 -2.096 -8.482 -1.506 1.00 0.00 O ATOM 0 H SER A 35 -3.900 -5.306 -0.640 1.00 0.00 H new ATOM 0 HA SER A 35 -1.508 -6.042 -1.867 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.337 -7.311 -0.351 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.997 -7.792 -1.901 1.00 0.00 H new ATOM 0 HG SER A 35 -2.431 -9.311 -1.104 1.00 0.00 H new ATOM 476 N LYS A 36 -4.065 -5.825 -3.945 1.00 0.00 N ATOM 477 CA LYS A 36 -4.422 -5.731 -5.366 1.00 0.00 C ATOM 478 C LYS A 36 -4.040 -4.400 -5.996 1.00 0.00 C ATOM 479 O LYS A 36 -3.746 -4.383 -7.187 1.00 0.00 O ATOM 480 CB LYS A 36 -5.922 -5.932 -5.572 1.00 0.00 C ATOM 481 CG LYS A 36 -6.419 -7.258 -4.980 1.00 0.00 C ATOM 482 CD LYS A 36 -7.686 -7.778 -5.663 1.00 0.00 C ATOM 483 CE LYS A 36 -8.906 -6.874 -5.448 1.00 0.00 C ATOM 484 NZ LYS A 36 -8.909 -5.696 -6.352 1.00 0.00 N ATOM 0 H LYS A 36 -4.826 -5.583 -3.310 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.854 -6.523 -5.854 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.464 -5.106 -5.112 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.147 -5.906 -6.638 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.632 -8.007 -5.068 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.615 -7.124 -3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.500 -7.877 -6.732 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.911 -8.776 -5.285 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.816 -7.453 -5.608 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.923 -6.533 -4.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.874 -5.530 -6.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.581 -4.858 -5.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.274 -5.874 -7.156 1.00 0.00 H new ATOM 498 N LEU A 37 -4.121 -3.304 -5.234 1.00 0.00 N ATOM 499 CA LEU A 37 -3.744 -1.970 -5.690 1.00 0.00 C ATOM 500 C LEU A 37 -2.263 -1.954 -6.075 1.00 0.00 C ATOM 501 O LEU A 37 -1.926 -1.642 -7.217 1.00 0.00 O ATOM 502 CB LEU A 37 -4.030 -0.935 -4.578 1.00 0.00 C ATOM 503 CG LEU A 37 -5.496 -0.473 -4.449 1.00 0.00 C ATOM 504 CD1 LEU A 37 -5.618 0.462 -3.233 1.00 0.00 C ATOM 505 CD2 LEU A 37 -5.977 0.219 -5.725 1.00 0.00 C ATOM 0 H LEU A 37 -4.455 -3.323 -4.271 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.334 -1.707 -6.568 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.718 -1.360 -3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.407 -0.058 -4.756 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.134 -1.345 -4.303 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.651 0.795 -3.132 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.320 -0.073 -2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.970 1.327 -3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.014 0.532 -5.601 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.355 1.092 -5.922 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.905 -0.474 -6.564 1.00 0.00 H new ATOM 517 N THR A 38 -1.373 -2.241 -5.114 1.00 0.00 N ATOM 518 CA THR A 38 0.082 -2.199 -5.332 1.00 0.00 C ATOM 519 C THR A 38 0.835 -3.210 -4.465 1.00 0.00 C ATOM 520 O THR A 38 0.358 -3.704 -3.448 1.00 0.00 O ATOM 521 CB THR A 38 0.686 -0.799 -5.071 1.00 0.00 C ATOM 522 OG1 THR A 38 0.744 -0.466 -3.698 1.00 0.00 O ATOM 523 CG2 THR A 38 -0.020 0.332 -5.822 1.00 0.00 C ATOM 0 H THR A 38 -1.639 -2.508 -4.166 1.00 0.00 H new ATOM 0 HA THR A 38 0.208 -2.456 -6.384 1.00 0.00 H new ATOM 0 HB THR A 38 1.700 -0.886 -5.461 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.135 0.427 -3.594 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.462 1.281 -5.587 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.041 0.150 -6.895 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.067 0.372 -5.520 1.00 0.00 H new ATOM 531 N GLY A 39 2.093 -3.477 -4.795 1.00 0.00 N ATOM 532 CA GLY A 39 2.901 -4.365 -3.959 1.00 0.00 C ATOM 533 C GLY A 39 3.415 -3.660 -2.707 1.00 0.00 C ATOM 534 O GLY A 39 3.378 -4.280 -1.651 1.00 0.00 O ATOM 0 H GLY A 39 2.570 -3.103 -5.615 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.306 -5.231 -3.669 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.746 -4.738 -4.538 1.00 0.00 H new ATOM 538 N CYS A 40 3.758 -2.358 -2.783 1.00 0.00 N ATOM 539 CA CYS A 40 4.441 -1.604 -1.711 1.00 0.00 C ATOM 540 C CYS A 40 3.822 -1.837 -0.334 1.00 0.00 C ATOM 541 O CYS A 40 4.508 -2.164 0.632 1.00 0.00 O ATOM 542 CB CYS A 40 4.482 -0.108 -2.074 1.00 0.00 C ATOM 543 SG CYS A 40 5.549 0.924 -1.023 1.00 0.00 S ATOM 0 H CYS A 40 3.564 -1.790 -3.608 1.00 0.00 H new ATOM 0 HA CYS A 40 5.462 -1.979 -1.639 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.817 -0.012 -3.107 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.467 0.287 -2.030 1.00 0.00 H new ATOM 548 N LYS A 41 2.492 -1.731 -0.286 1.00 0.00 N ATOM 549 CA LYS A 41 1.678 -2.008 0.896 1.00 0.00 C ATOM 550 C LYS A 41 1.324 -3.486 1.036 1.00 0.00 C ATOM 551 O LYS A 41 1.321 -3.974 2.160 1.00 0.00 O ATOM 552 CB LYS A 41 0.389 -1.192 0.806 1.00 0.00 C ATOM 553 CG LYS A 41 0.608 0.329 0.745 1.00 0.00 C ATOM 554 CD LYS A 41 0.989 0.903 2.108 1.00 0.00 C ATOM 555 CE LYS A 41 -0.212 1.045 3.042 1.00 0.00 C ATOM 556 NZ LYS A 41 0.251 1.156 4.446 1.00 0.00 N ATOM 0 H LYS A 41 1.938 -1.442 -1.092 1.00 0.00 H new ATOM 0 HA LYS A 41 2.264 -1.731 1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.164 -1.504 -0.080 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.235 -1.423 1.669 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.393 0.554 0.023 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.301 0.813 0.388 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.733 0.258 2.575 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.455 1.879 1.970 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.793 1.927 2.771 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.871 0.184 2.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.571 1.252 5.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.786 0.302 4.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.863 1.991 4.545 1.00 0.00 H new ATOM 570 N GLY A 42 1.046 -4.191 -0.067 1.00 0.00 N ATOM 571 CA GLY A 42 0.752 -5.632 -0.095 1.00 0.00 C ATOM 572 C GLY A 42 1.821 -6.507 0.580 1.00 0.00 C ATOM 573 O GLY A 42 1.491 -7.479 1.255 1.00 0.00 O ATOM 0 H GLY A 42 1.018 -3.764 -0.993 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.206 -5.805 0.395 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.641 -5.949 -1.132 1.00 0.00 H new ATOM 577 N LYS A 43 3.104 -6.144 0.454 1.00 0.00 N ATOM 578 CA LYS A 43 4.251 -6.771 1.144 1.00 0.00 C ATOM 579 C LYS A 43 4.469 -6.278 2.584 1.00 0.00 C ATOM 580 O LYS A 43 5.524 -6.541 3.150 1.00 0.00 O ATOM 581 CB LYS A 43 5.534 -6.608 0.292 1.00 0.00 C ATOM 582 CG LYS A 43 5.363 -7.070 -1.168 1.00 0.00 C ATOM 583 CD LYS A 43 5.083 -8.561 -1.338 1.00 0.00 C ATOM 584 CE LYS A 43 4.249 -8.756 -2.607 1.00 0.00 C ATOM 585 NZ LYS A 43 4.084 -10.200 -2.892 1.00 0.00 N ATOM 0 H LYS A 43 3.388 -5.376 -0.154 1.00 0.00 H new ATOM 0 HA LYS A 43 4.009 -7.829 1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.836 -5.561 0.301 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.342 -7.177 0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.546 -6.507 -1.619 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.267 -6.819 -1.722 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.018 -9.116 -1.410 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.549 -8.948 -0.470 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.272 -8.288 -2.485 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.735 -8.264 -3.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.517 -10.321 -3.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.018 -10.636 -3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.601 -10.659 -2.093 1.00 0.00 H new ATOM 599 N GLY A 44 3.508 -5.554 3.167 1.00 0.00 N ATOM 600 CA GLY A 44 3.611 -4.941 4.501 1.00 0.00 C ATOM 601 C GLY A 44 4.603 -3.767 4.589 1.00 0.00 C ATOM 602 O GLY A 44 5.088 -3.424 5.673 1.00 0.00 O ATOM 0 H GLY A 44 2.612 -5.372 2.714 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.624 -4.590 4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.909 -5.707 5.217 1.00 0.00 H new ATOM 606 N GLY A 45 4.900 -3.140 3.446 1.00 0.00 N ATOM 607 CA GLY A 45 5.813 -2.002 3.338 1.00 0.00 C ATOM 608 C GLY A 45 5.078 -0.664 3.256 1.00 0.00 C ATOM 609 O GLY A 45 3.854 -0.579 3.388 1.00 0.00 O ATOM 0 H GLY A 45 4.501 -3.418 2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.480 -1.993 4.200 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.437 -2.124 2.453 1.00 0.00 H new ATOM 613 N GLU A 46 5.841 0.409 3.069 1.00 0.00 N ATOM 614 CA GLU A 46 5.322 1.758 2.835 1.00 0.00 C ATOM 615 C GLU A 46 6.295 2.598 1.986 1.00 0.00 C ATOM 616 O GLU A 46 7.518 2.450 2.068 1.00 0.00 O ATOM 617 CB GLU A 46 5.035 2.398 4.214 1.00 0.00 C ATOM 618 CG GLU A 46 4.553 3.859 4.184 1.00 0.00 C ATOM 619 CD GLU A 46 3.166 3.973 3.524 1.00 0.00 C ATOM 620 OE1 GLU A 46 3.053 3.669 2.314 1.00 0.00 O ATOM 621 OE2 GLU A 46 2.183 4.191 4.268 1.00 0.00 O ATOM 0 H GLU A 46 6.860 0.367 3.076 1.00 0.00 H new ATOM 0 HA GLU A 46 4.398 1.715 2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.282 1.797 4.723 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.944 2.347 4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.509 4.251 5.200 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.271 4.471 3.637 1.00 0.00 H new ATOM 628 N CYS A 47 5.768 3.534 1.196 1.00 0.00 N ATOM 629 CA CYS A 47 6.590 4.502 0.476 1.00 0.00 C ATOM 630 C CYS A 47 7.451 5.357 1.419 1.00 0.00 C ATOM 631 O CYS A 47 6.963 5.905 2.405 1.00 0.00 O ATOM 632 CB CYS A 47 5.699 5.393 -0.376 1.00 0.00 C ATOM 633 SG CYS A 47 6.636 6.675 -1.237 1.00 0.00 S ATOM 0 H CYS A 47 4.766 3.641 1.039 1.00 0.00 H new ATOM 0 HA CYS A 47 7.276 3.944 -0.161 1.00 0.00 H new ATOM 0 HB2 CYS A 47 5.169 4.781 -1.106 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.944 5.860 0.257 1.00 0.00 H new ATOM 638 N ASN A 48 8.746 5.462 1.123 1.00 0.00 N ATOM 639 CA ASN A 48 9.690 6.272 1.888 1.00 0.00 C ATOM 640 C ASN A 48 10.491 7.222 0.971 1.00 0.00 C ATOM 641 O ASN A 48 10.730 6.924 -0.207 1.00 0.00 O ATOM 642 CB ASN A 48 10.593 5.346 2.728 1.00 0.00 C ATOM 643 CG ASN A 48 9.923 4.913 4.022 1.00 0.00 C ATOM 644 OD1 ASN A 48 10.298 5.303 5.117 1.00 0.00 O ATOM 645 ND2 ASN A 48 8.909 4.087 3.978 1.00 0.00 N ATOM 0 H ASN A 48 9.174 4.979 0.333 1.00 0.00 H new ATOM 0 HA ASN A 48 9.142 6.918 2.574 1.00 0.00 H new ATOM 0 HB2 ASN A 48 10.852 4.464 2.142 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.526 5.861 2.958 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.457 3.788 4.842 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.571 3.742 3.080 1.00 0.00 H new ATOM 652 N PRO A 49 10.936 8.372 1.505 1.00 0.00 N ATOM 653 CA PRO A 49 11.769 9.309 0.763 1.00 0.00 C ATOM 654 C PRO A 49 13.164 8.729 0.541 1.00 0.00 C ATOM 655 O PRO A 49 13.660 7.974 1.373 1.00 0.00 O ATOM 656 CB PRO A 49 11.810 10.583 1.620 1.00 0.00 C ATOM 657 CG PRO A 49 11.566 10.079 3.045 1.00 0.00 C ATOM 658 CD PRO A 49 10.666 8.863 2.847 1.00 0.00 C ATOM 0 HA PRO A 49 11.372 9.518 -0.230 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.771 11.090 1.535 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.045 11.296 1.312 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.499 9.811 3.540 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.084 10.838 3.662 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.878 8.096 3.592 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.616 9.134 2.958 1.00 0.00 H new ATOM 666 N LEU A 50 13.845 9.166 -0.524 1.00 0.00 N ATOM 667 CA LEU A 50 15.240 8.775 -0.810 1.00 0.00 C ATOM 668 C LEU A 50 16.240 9.188 0.288 1.00 0.00 C ATOM 669 O LEU A 50 17.322 8.614 0.372 1.00 0.00 O ATOM 670 CB LEU A 50 15.710 9.414 -2.130 1.00 0.00 C ATOM 671 CG LEU A 50 14.764 9.234 -3.322 1.00 0.00 C ATOM 672 CD1 LEU A 50 15.296 10.004 -4.530 1.00 0.00 C ATOM 673 CD2 LEU A 50 14.574 7.770 -3.711 1.00 0.00 C ATOM 0 H LEU A 50 13.449 9.802 -1.216 1.00 0.00 H new ATOM 0 HA LEU A 50 15.229 7.686 -0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 50 15.859 10.481 -1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 50 16.681 8.993 -2.392 1.00 0.00 H new ATOM 0 HG LEU A 50 13.794 9.623 -3.013 1.00 0.00 H new ATOM 0 HD11 LEU A 50 14.618 9.871 -5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 50 15.366 11.064 -4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 50 16.284 9.627 -4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.894 7.705 -4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 50 15.537 7.338 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 50 14.155 7.221 -2.868 1.00 0.00 H new ATOM 685 N ASP A 51 15.874 10.166 1.118 1.00 0.00 N ATOM 686 CA ASP A 51 16.627 10.610 2.297 1.00 0.00 C ATOM 687 C ASP A 51 16.547 9.623 3.484 1.00 0.00 C ATOM 688 O ASP A 51 17.354 9.665 4.417 1.00 0.00 O ATOM 689 CB ASP A 51 16.056 11.964 2.746 1.00 0.00 C ATOM 690 CG ASP A 51 16.256 13.039 1.679 1.00 0.00 C ATOM 691 OD1 ASP A 51 17.332 13.678 1.687 1.00 0.00 O ATOM 692 OD2 ASP A 51 15.320 13.176 0.857 1.00 0.00 O ATOM 0 H ASP A 51 15.011 10.693 0.984 1.00 0.00 H new ATOM 0 HA ASP A 51 17.676 10.677 2.009 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.993 11.858 2.962 1.00 0.00 H new ATOM 0 HB3 ASP A 51 16.540 12.275 3.672 1.00 0.00 H new ATOM 697 N ARG A 52 15.552 8.728 3.486 1.00 0.00 N ATOM 698 CA ARG A 52 15.408 7.662 4.476 1.00 0.00 C ATOM 699 C ARG A 52 16.210 6.435 4.038 1.00 0.00 C ATOM 700 O ARG A 52 16.036 5.906 2.948 1.00 0.00 O ATOM 701 CB ARG A 52 13.914 7.345 4.656 1.00 0.00 C ATOM 702 CG ARG A 52 13.652 6.225 5.670 1.00 0.00 C ATOM 703 CD ARG A 52 13.916 6.698 7.098 1.00 0.00 C ATOM 704 NE ARG A 52 13.367 5.736 8.073 1.00 0.00 N ATOM 705 CZ ARG A 52 13.556 5.769 9.375 1.00 0.00 C ATOM 706 NH1 ARG A 52 14.296 6.691 9.931 1.00 0.00 N ATOM 707 NH2 ARG A 52 12.992 4.882 10.145 1.00 0.00 N ATOM 0 H ARG A 52 14.812 8.727 2.784 1.00 0.00 H new ATOM 0 HA ARG A 52 15.805 7.980 5.440 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.394 8.247 4.978 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.491 7.060 3.693 1.00 0.00 H new ATOM 0 HG2 ARG A 52 12.620 5.885 5.582 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.289 5.370 5.444 1.00 0.00 H new ATOM 0 HD2 ARG A 52 14.988 6.813 7.256 1.00 0.00 H new ATOM 0 HD3 ARG A 52 13.464 7.678 7.252 1.00 0.00 H new ATOM 0 HE ARG A 52 12.790 4.979 7.706 1.00 0.00 H new ATOM 0 HH11 ARG A 52 14.741 7.405 9.354 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.429 6.697 10.942 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.400 4.157 9.739 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.142 4.913 11.153 1.00 0.00 H new ATOM 721 N GLN A 53 17.026 5.925 4.958 1.00 0.00 N ATOM 722 CA GLN A 53 17.714 4.648 4.798 1.00 0.00 C ATOM 723 C GLN A 53 16.770 3.472 5.107 1.00 0.00 C ATOM 724 O GLN A 53 16.143 3.413 6.176 1.00 0.00 O ATOM 725 CB GLN A 53 18.984 4.635 5.669 1.00 0.00 C ATOM 726 CG GLN A 53 18.690 4.529 7.180 1.00 0.00 C ATOM 727 CD GLN A 53 19.926 4.684 8.049 1.00 0.00 C ATOM 728 OE1 GLN A 53 21.029 4.300 7.719 1.00 0.00 O ATOM 729 NE2 GLN A 53 19.786 5.226 9.234 1.00 0.00 N ATOM 0 H GLN A 53 17.229 6.391 5.842 1.00 0.00 H new ATOM 0 HA GLN A 53 18.022 4.526 3.760 1.00 0.00 H new ATOM 0 HB2 GLN A 53 19.613 3.797 5.369 1.00 0.00 H new ATOM 0 HB3 GLN A 53 19.554 5.545 5.480 1.00 0.00 H new ATOM 0 HG2 GLN A 53 17.963 5.293 7.455 1.00 0.00 H new ATOM 0 HG3 GLN A 53 18.229 3.563 7.386 1.00 0.00 H new ATOM 0 HE21 GLN A 53 18.871 5.558 9.538 1.00 0.00 H new ATOM 0 HE22 GLN A 53 20.592 5.316 9.852 1.00 0.00 H new ATOM 738 N CYS A 54 16.646 2.546 4.160 1.00 0.00 N ATOM 739 CA CYS A 54 15.872 1.316 4.305 1.00 0.00 C ATOM 740 C CYS A 54 16.094 0.393 3.106 1.00 0.00 C ATOM 741 O CYS A 54 16.822 0.749 2.193 1.00 0.00 O ATOM 742 CB CYS A 54 14.389 1.651 4.545 1.00 0.00 C ATOM 743 SG CYS A 54 13.700 3.127 3.731 1.00 0.00 S ATOM 0 H CYS A 54 17.092 2.632 3.247 1.00 0.00 H new ATOM 0 HA CYS A 54 16.219 0.767 5.180 1.00 0.00 H new ATOM 0 HB2 CYS A 54 13.798 0.791 4.231 1.00 0.00 H new ATOM 0 HB3 CYS A 54 14.242 1.764 5.619 1.00 0.00 H new ATOM 748 N LYS A 55 15.544 -0.826 3.152 1.00 0.00 N ATOM 749 CA LYS A 55 15.541 -1.774 2.029 1.00 0.00 C ATOM 750 C LYS A 55 14.350 -1.520 1.124 1.00 0.00 C ATOM 751 O LYS A 55 13.210 -1.661 1.573 1.00 0.00 O ATOM 752 CB LYS A 55 15.471 -3.211 2.565 1.00 0.00 C ATOM 753 CG LYS A 55 16.889 -3.734 2.842 1.00 0.00 C ATOM 754 CD LYS A 55 16.846 -4.926 3.812 1.00 0.00 C ATOM 755 CE LYS A 55 16.381 -6.221 3.130 1.00 0.00 C ATOM 756 NZ LYS A 55 17.498 -6.865 2.393 1.00 0.00 N ATOM 0 H LYS A 55 15.080 -1.189 3.985 1.00 0.00 H new ATOM 0 HA LYS A 55 16.459 -1.637 1.457 1.00 0.00 H new ATOM 0 HB2 LYS A 55 14.878 -3.239 3.479 1.00 0.00 H new ATOM 0 HB3 LYS A 55 14.971 -3.855 1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 55 17.360 -4.036 1.907 1.00 0.00 H new ATOM 0 HG3 LYS A 55 17.501 -2.937 3.264 1.00 0.00 H new ATOM 0 HD2 LYS A 55 17.837 -5.079 4.239 1.00 0.00 H new ATOM 0 HD3 LYS A 55 16.175 -4.693 4.639 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.989 -6.910 3.878 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.565 -6.001 2.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 17.158 -7.738 1.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 17.854 -6.214 1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 18.265 -7.095 3.057 1.00 0.00 H new ATOM 770 N GLU A 56 14.646 -1.299 -0.150 1.00 0.00 N ATOM 771 CA GLU A 56 13.671 -1.083 -1.213 1.00 0.00 C ATOM 772 C GLU A 56 13.851 -2.071 -2.369 1.00 0.00 C ATOM 773 O GLU A 56 14.960 -2.433 -2.765 1.00 0.00 O ATOM 774 CB GLU A 56 13.707 0.381 -1.683 1.00 0.00 C ATOM 775 CG GLU A 56 14.855 0.732 -2.634 1.00 0.00 C ATOM 776 CD GLU A 56 16.256 0.567 -2.043 1.00 0.00 C ATOM 777 OE1 GLU A 56 16.423 0.894 -0.854 1.00 0.00 O ATOM 778 OE2 GLU A 56 17.158 0.188 -2.822 1.00 0.00 O ATOM 0 H GLU A 56 15.609 -1.264 -0.485 1.00 0.00 H new ATOM 0 HA GLU A 56 12.679 -1.277 -0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.763 0.610 -2.178 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.772 1.026 -0.807 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.776 0.106 -3.522 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.734 1.765 -2.960 1.00 0.00 H new ATOM 785 N LEU A 57 12.741 -2.573 -2.901 1.00 0.00 N ATOM 786 CA LEU A 57 12.798 -3.519 -4.019 1.00 0.00 C ATOM 787 C LEU A 57 12.771 -2.758 -5.334 1.00 0.00 C ATOM 788 O LEU A 57 12.070 -1.768 -5.462 1.00 0.00 O ATOM 789 CB LEU A 57 11.617 -4.507 -3.915 1.00 0.00 C ATOM 790 CG LEU A 57 11.916 -5.801 -3.141 1.00 0.00 C ATOM 791 CD1 LEU A 57 12.849 -6.712 -3.944 1.00 0.00 C ATOM 792 CD2 LEU A 57 12.475 -5.569 -1.731 1.00 0.00 C ATOM 0 H LEU A 57 11.799 -2.346 -2.583 1.00 0.00 H new ATOM 0 HA LEU A 57 13.726 -4.090 -3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.780 -4.000 -3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.294 -4.771 -4.922 1.00 0.00 H new ATOM 0 HG LEU A 57 10.953 -6.293 -3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 57 13.047 -7.621 -3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.377 -6.971 -4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 57 13.788 -6.193 -4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.660 -6.530 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.409 -5.011 -1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.754 -5.002 -1.143 1.00 0.00 H new ATOM 804 N GLN A 58 13.414 -3.290 -6.369 1.00 0.00 N ATOM 805 CA GLN A 58 13.411 -2.648 -7.693 1.00 0.00 C ATOM 806 C GLN A 58 12.006 -2.591 -8.312 1.00 0.00 C ATOM 807 O GLN A 58 11.611 -1.570 -8.874 1.00 0.00 O ATOM 808 CB GLN A 58 14.378 -3.389 -8.627 1.00 0.00 C ATOM 809 CG GLN A 58 15.834 -3.201 -8.167 1.00 0.00 C ATOM 810 CD GLN A 58 16.794 -3.795 -9.189 1.00 0.00 C ATOM 811 OE1 GLN A 58 16.917 -3.322 -10.300 1.00 0.00 O ATOM 812 NE2 GLN A 58 17.496 -4.862 -8.878 1.00 0.00 N ATOM 0 H GLN A 58 13.944 -4.160 -6.324 1.00 0.00 H new ATOM 0 HA GLN A 58 13.741 -1.617 -7.563 1.00 0.00 H new ATOM 0 HB2 GLN A 58 14.132 -4.451 -8.645 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.263 -3.018 -9.645 1.00 0.00 H new ATOM 0 HG2 GLN A 58 16.046 -2.140 -8.033 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.981 -3.680 -7.199 1.00 0.00 H new ATOM 0 HE21 GLN A 58 17.409 -5.277 -7.950 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.128 -5.275 -9.564 1.00 0.00 H new ATOM 821 N ALA A 59 11.231 -3.670 -8.148 1.00 0.00 N ATOM 822 CA ALA A 59 9.852 -3.736 -8.634 1.00 0.00 C ATOM 823 C ALA A 59 8.885 -2.929 -7.744 1.00 0.00 C ATOM 824 O ALA A 59 7.920 -2.344 -8.227 1.00 0.00 O ATOM 825 CB ALA A 59 9.447 -5.215 -8.708 1.00 0.00 C ATOM 0 H ALA A 59 11.543 -4.518 -7.676 1.00 0.00 H new ATOM 0 HA ALA A 59 9.793 -3.282 -9.623 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.421 -5.294 -9.068 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.113 -5.741 -9.392 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.519 -5.662 -7.716 1.00 0.00 H new ATOM 831 N GLU A 60 9.161 -2.865 -6.439 1.00 0.00 N ATOM 832 CA GLU A 60 8.297 -2.176 -5.475 1.00 0.00 C ATOM 833 C GLU A 60 8.531 -0.663 -5.447 1.00 0.00 C ATOM 834 O GLU A 60 7.588 0.120 -5.334 1.00 0.00 O ATOM 835 CB GLU A 60 8.586 -2.735 -4.082 1.00 0.00 C ATOM 836 CG GLU A 60 7.364 -2.603 -3.199 1.00 0.00 C ATOM 837 CD GLU A 60 6.499 -3.834 -3.373 1.00 0.00 C ATOM 838 OE1 GLU A 60 5.978 -4.032 -4.493 1.00 0.00 O ATOM 839 OE2 GLU A 60 6.317 -4.541 -2.368 1.00 0.00 O ATOM 0 H GLU A 60 9.989 -3.289 -6.020 1.00 0.00 H new ATOM 0 HA GLU A 60 7.264 -2.345 -5.777 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.878 -3.783 -4.156 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.425 -2.201 -3.635 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.662 -2.496 -2.156 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.802 -1.707 -3.464 1.00 0.00 H new ATOM 846 N SER A 61 9.791 -0.238 -5.604 1.00 0.00 N ATOM 847 CA SER A 61 10.202 1.168 -5.702 1.00 0.00 C ATOM 848 C SER A 61 9.454 1.912 -6.798 1.00 0.00 C ATOM 849 O SER A 61 9.224 3.110 -6.646 1.00 0.00 O ATOM 850 CB SER A 61 11.706 1.313 -5.977 1.00 0.00 C ATOM 851 OG SER A 61 12.402 1.283 -4.751 1.00 0.00 O ATOM 0 H SER A 61 10.578 -0.884 -5.668 1.00 0.00 H new ATOM 0 HA SER A 61 9.960 1.604 -4.733 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.050 0.507 -6.625 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.905 2.249 -6.500 1.00 0.00 H new ATOM 0 HG SER A 61 12.597 0.354 -4.508 1.00 0.00 H new ATOM 857 N ALA A 62 9.040 1.211 -7.860 1.00 0.00 N ATOM 858 CA ALA A 62 8.210 1.761 -8.924 1.00 0.00 C ATOM 859 C ALA A 62 6.867 2.305 -8.415 1.00 0.00 C ATOM 860 O ALA A 62 6.478 3.384 -8.856 1.00 0.00 O ATOM 861 CB ALA A 62 7.990 0.691 -10.002 1.00 0.00 C ATOM 0 H ALA A 62 9.279 0.230 -8.001 1.00 0.00 H new ATOM 0 HA ALA A 62 8.740 2.613 -9.349 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.369 1.100 -10.799 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.952 0.385 -10.412 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.492 -0.173 -9.561 1.00 0.00 H new ATOM 867 N SER A 63 6.215 1.588 -7.478 1.00 0.00 N ATOM 868 CA SER A 63 4.908 1.907 -6.872 1.00 0.00 C ATOM 869 C SER A 63 4.794 3.382 -6.498 1.00 0.00 C ATOM 870 O SER A 63 3.928 4.097 -7.001 1.00 0.00 O ATOM 871 CB SER A 63 4.692 1.052 -5.615 1.00 0.00 C ATOM 872 OG SER A 63 3.396 1.264 -5.093 1.00 0.00 O ATOM 0 H SER A 63 6.608 0.724 -7.104 1.00 0.00 H new ATOM 0 HA SER A 63 4.143 1.686 -7.617 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.826 -0.002 -5.857 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.440 1.304 -4.863 1.00 0.00 H new ATOM 0 HG SER A 63 3.150 0.513 -4.514 1.00 0.00 H new ATOM 878 N CYS A 64 5.719 3.846 -5.647 1.00 0.00 N ATOM 879 CA CYS A 64 5.824 5.258 -5.331 1.00 0.00 C ATOM 880 C CYS A 64 6.581 6.010 -6.433 1.00 0.00 C ATOM 881 O CYS A 64 6.028 6.950 -7.018 1.00 0.00 O ATOM 882 CB CYS A 64 6.440 5.401 -3.936 1.00 0.00 C ATOM 883 SG CYS A 64 5.743 6.812 -3.045 1.00 0.00 S ATOM 0 H CYS A 64 6.401 3.256 -5.170 1.00 0.00 H new ATOM 0 HA CYS A 64 4.839 5.724 -5.301 1.00 0.00 H new ATOM 0 HB2 CYS A 64 6.268 4.488 -3.366 1.00 0.00 H new ATOM 0 HB3 CYS A 64 7.520 5.523 -4.025 1.00 0.00 H new ATOM 888 N GLY A 65 7.819 5.562 -6.731 1.00 0.00 N ATOM 889 CA GLY A 65 8.765 6.138 -7.698 1.00 0.00 C ATOM 890 C GLY A 65 8.815 7.666 -7.624 1.00 0.00 C ATOM 891 O GLY A 65 8.689 8.226 -6.548 1.00 0.00 O ATOM 0 H GLY A 65 8.204 4.737 -6.272 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.761 5.735 -7.513 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.481 5.835 -8.706 1.00 0.00 H new ATOM 895 N LYS A 66 9.050 8.379 -8.732 1.00 0.00 N ATOM 896 CA LYS A 66 8.988 9.870 -8.756 1.00 0.00 C ATOM 897 C LYS A 66 9.781 10.559 -7.617 1.00 0.00 C ATOM 898 O LYS A 66 9.311 11.457 -6.921 1.00 0.00 O ATOM 899 CB LYS A 66 7.504 10.299 -8.748 1.00 0.00 C ATOM 900 CG LYS A 66 6.827 10.145 -10.117 1.00 0.00 C ATOM 901 CD LYS A 66 5.311 10.357 -9.971 1.00 0.00 C ATOM 902 CE LYS A 66 4.665 9.083 -9.393 1.00 0.00 C ATOM 903 NZ LYS A 66 3.260 9.318 -8.977 1.00 0.00 N ATOM 0 H LYS A 66 9.286 7.960 -9.631 1.00 0.00 H new ATOM 0 HA LYS A 66 9.480 10.204 -9.669 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.963 9.703 -8.013 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.434 11.339 -8.429 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.239 10.868 -10.821 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.028 9.154 -10.524 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.114 11.206 -9.317 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.871 10.592 -10.940 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.695 8.289 -10.139 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.245 8.738 -8.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.860 8.438 -8.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.233 10.058 -8.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.701 9.623 -9.799 1.00 0.00 H new ATOM 917 N GLY A 67 11.012 10.097 -7.410 1.00 0.00 N ATOM 918 CA GLY A 67 11.827 10.583 -6.298 1.00 0.00 C ATOM 919 C GLY A 67 11.485 9.951 -4.946 1.00 0.00 C ATOM 920 O GLY A 67 11.750 10.556 -3.917 1.00 0.00 O ATOM 0 H GLY A 67 11.465 9.392 -7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.877 10.392 -6.521 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.709 11.664 -6.221 1.00 0.00 H new ATOM 924 N GLN A 68 10.881 8.764 -4.937 1.00 0.00 N ATOM 925 CA GLN A 68 10.527 7.977 -3.751 1.00 0.00 C ATOM 926 C GLN A 68 10.976 6.523 -3.931 1.00 0.00 C ATOM 927 O GLN A 68 11.167 6.055 -5.061 1.00 0.00 O ATOM 928 CB GLN A 68 9.009 8.026 -3.499 1.00 0.00 C ATOM 929 CG GLN A 68 8.416 9.439 -3.359 1.00 0.00 C ATOM 930 CD GLN A 68 8.853 10.099 -2.055 1.00 0.00 C ATOM 931 OE1 GLN A 68 8.570 9.638 -0.967 1.00 0.00 O ATOM 932 NE2 GLN A 68 9.571 11.194 -2.097 1.00 0.00 N ATOM 0 H GLN A 68 10.610 8.298 -5.803 1.00 0.00 H new ATOM 0 HA GLN A 68 11.037 8.407 -2.889 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.504 7.516 -4.319 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.789 7.465 -2.591 1.00 0.00 H new ATOM 0 HG2 GLN A 68 8.731 10.053 -4.203 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.328 9.384 -3.394 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.824 11.604 -2.996 1.00 0.00 H new ATOM 0 HE22 GLN A 68 9.877 11.637 -1.231 1.00 0.00 H new ATOM 941 N LYS A 69 11.113 5.801 -2.815 1.00 0.00 N ATOM 942 CA LYS A 69 11.557 4.403 -2.729 1.00 0.00 C ATOM 943 C LYS A 69 10.699 3.648 -1.715 1.00 0.00 C ATOM 944 O LYS A 69 10.539 4.076 -0.582 1.00 0.00 O ATOM 945 CB LYS A 69 13.047 4.368 -2.337 1.00 0.00 C ATOM 946 CG LYS A 69 13.929 4.368 -3.595 1.00 0.00 C ATOM 947 CD LYS A 69 15.422 4.267 -3.225 1.00 0.00 C ATOM 948 CE LYS A 69 16.226 3.641 -4.370 1.00 0.00 C ATOM 949 NZ LYS A 69 16.313 4.555 -5.534 1.00 0.00 N ATOM 0 H LYS A 69 10.907 6.195 -1.897 1.00 0.00 H new ATOM 0 HA LYS A 69 11.441 3.914 -3.696 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.287 5.231 -1.716 1.00 0.00 H new ATOM 0 HB3 LYS A 69 13.252 3.479 -1.740 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.653 3.531 -4.237 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.753 5.280 -4.166 1.00 0.00 H new ATOM 0 HD2 LYS A 69 15.813 5.259 -3.000 1.00 0.00 H new ATOM 0 HD3 LYS A 69 15.538 3.667 -2.323 1.00 0.00 H new ATOM 0 HE2 LYS A 69 17.230 3.398 -4.021 1.00 0.00 H new ATOM 0 HE3 LYS A 69 15.759 2.705 -4.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 16.863 4.102 -6.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.356 4.767 -5.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.781 5.438 -5.247 1.00 0.00 H new ATOM 963 N CYS A 70 10.080 2.552 -2.130 1.00 0.00 N ATOM 964 CA CYS A 70 9.258 1.750 -1.215 1.00 0.00 C ATOM 965 C CYS A 70 10.117 1.033 -0.171 1.00 0.00 C ATOM 966 O CYS A 70 10.980 0.267 -0.567 1.00 0.00 O ATOM 967 CB CYS A 70 8.470 0.702 -1.998 1.00 0.00 C ATOM 968 SG CYS A 70 7.293 -0.120 -0.890 1.00 0.00 S ATOM 0 H CYS A 70 10.126 2.194 -3.084 1.00 0.00 H new ATOM 0 HA CYS A 70 8.579 2.433 -0.706 1.00 0.00 H new ATOM 0 HB2 CYS A 70 7.939 1.173 -2.825 1.00 0.00 H new ATOM 0 HB3 CYS A 70 9.150 -0.031 -2.432 1.00 0.00 H new ATOM 973 N CYS A 71 9.854 1.182 1.124 1.00 0.00 N ATOM 974 CA CYS A 71 10.618 0.510 2.174 1.00 0.00 C ATOM 975 C CYS A 71 9.735 -0.394 3.026 1.00 0.00 C ATOM 976 O CYS A 71 8.635 -0.018 3.432 1.00 0.00 O ATOM 977 CB CYS A 71 11.329 1.554 3.018 1.00 0.00 C ATOM 978 SG CYS A 71 12.742 2.304 2.164 1.00 0.00 S ATOM 0 H CYS A 71 9.102 1.774 1.477 1.00 0.00 H new ATOM 0 HA CYS A 71 11.361 -0.139 1.709 1.00 0.00 H new ATOM 0 HB2 CYS A 71 10.621 2.335 3.294 1.00 0.00 H new ATOM 0 HB3 CYS A 71 11.673 1.093 3.944 1.00 0.00 H new ATOM 983 N VAL A 72 10.251 -1.580 3.338 1.00 0.00 N ATOM 984 CA VAL A 72 9.571 -2.551 4.203 1.00 0.00 C ATOM 985 C VAL A 72 10.250 -2.612 5.573 1.00 0.00 C ATOM 986 O VAL A 72 11.476 -2.528 5.703 1.00 0.00 O ATOM 987 CB VAL A 72 9.461 -3.919 3.494 1.00 0.00 C ATOM 988 CG1 VAL A 72 10.825 -4.610 3.345 1.00 0.00 C ATOM 989 CG2 VAL A 72 8.453 -4.860 4.181 1.00 0.00 C ATOM 0 H VAL A 72 11.158 -1.900 2.998 1.00 0.00 H new ATOM 0 HA VAL A 72 8.547 -2.228 4.391 1.00 0.00 H new ATOM 0 HB VAL A 72 9.084 -3.703 2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.695 -5.568 2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.491 -3.978 2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.259 -4.775 4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.414 -5.807 3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.766 -5.040 5.210 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.465 -4.400 4.177 1.00 0.00 H new ATOM 999 N TRP A 73 9.435 -2.808 6.608 1.00 0.00 N ATOM 1000 CA TRP A 73 9.873 -3.062 7.978 1.00 0.00 C ATOM 1001 C TRP A 73 9.554 -4.499 8.427 1.00 0.00 C ATOM 1002 O TRP A 73 8.914 -5.265 7.713 1.00 0.00 O ATOM 1003 CB TRP A 73 9.219 -2.018 8.897 1.00 0.00 C ATOM 1004 CG TRP A 73 9.190 -0.618 8.356 1.00 0.00 C ATOM 1005 CD1 TRP A 73 8.094 0.018 7.881 1.00 0.00 C ATOM 1006 CD2 TRP A 73 10.321 0.267 8.076 1.00 0.00 C ATOM 1007 NE1 TRP A 73 8.451 1.272 7.420 1.00 0.00 N ATOM 1008 CE2 TRP A 73 9.816 1.467 7.491 1.00 0.00 C ATOM 1009 CE3 TRP A 73 11.724 0.160 8.217 1.00 0.00 C ATOM 1010 CZ2 TRP A 73 10.654 2.520 7.091 1.00 0.00 C ATOM 1011 CZ3 TRP A 73 12.581 1.209 7.815 1.00 0.00 C ATOM 1012 CH2 TRP A 73 12.048 2.384 7.247 1.00 0.00 C ATOM 0 H TRP A 73 8.420 -2.794 6.512 1.00 0.00 H new ATOM 0 HA TRP A 73 10.958 -2.968 8.034 1.00 0.00 H new ATOM 0 HB2 TRP A 73 8.196 -2.331 9.105 1.00 0.00 H new ATOM 0 HB3 TRP A 73 9.750 -2.012 9.849 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.094 -0.391 7.864 1.00 0.00 H new ATOM 0 HE1 TRP A 73 7.789 1.966 7.071 1.00 0.00 H new ATOM 0 HE3 TRP A 73 12.148 -0.739 8.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 10.236 3.422 6.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 13.649 1.110 7.943 1.00 0.00 H new ATOM 0 HH2 TRP A 73 12.707 3.179 6.932 1.00 0.00 H new ATOM 1023 N LEU A 74 9.965 -4.828 9.653 1.00 0.00 N ATOM 1024 CA LEU A 74 9.757 -6.132 10.306 1.00 0.00 C ATOM 1025 C LEU A 74 8.658 -6.114 11.395 1.00 0.00 C ATOM 1026 O LEU A 74 8.734 -6.842 12.378 1.00 0.00 O ATOM 1027 CB LEU A 74 11.130 -6.648 10.783 1.00 0.00 C ATOM 1028 CG LEU A 74 11.876 -5.762 11.821 1.00 0.00 C ATOM 1029 CD1 LEU A 74 11.475 -6.030 13.277 1.00 0.00 C ATOM 1030 CD2 LEU A 74 13.381 -5.996 11.653 1.00 0.00 C ATOM 0 H LEU A 74 10.472 -4.171 10.246 1.00 0.00 H new ATOM 0 HA LEU A 74 9.351 -6.843 9.586 1.00 0.00 H new ATOM 0 HB2 LEU A 74 10.992 -7.639 11.215 1.00 0.00 H new ATOM 0 HB3 LEU A 74 11.772 -6.768 9.911 1.00 0.00 H new ATOM 0 HG LEU A 74 11.598 -4.727 11.622 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.040 -5.372 13.937 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.409 -5.840 13.402 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.691 -7.068 13.529 1.00 0.00 H new ATOM 0 HD21 LEU A 74 13.927 -5.384 12.371 1.00 0.00 H new ATOM 0 HD22 LEU A 74 13.607 -7.048 11.826 1.00 0.00 H new ATOM 0 HD23 LEU A 74 13.681 -5.722 10.642 1.00 0.00 H new ATOM 1042 N HIS A 75 7.688 -5.214 11.258 1.00 0.00 N ATOM 1043 CA HIS A 75 6.550 -5.054 12.176 1.00 0.00 C ATOM 1044 C HIS A 75 5.255 -5.691 11.650 1.00 0.00 C ATOM 1045 O HIS A 75 4.206 -5.323 12.220 1.00 0.00 O ATOM 1046 CB HIS A 75 6.393 -3.546 12.462 1.00 0.00 C ATOM 1047 CG HIS A 75 6.036 -2.671 11.267 1.00 0.00 C ATOM 1048 ND1 HIS A 75 5.435 -3.069 10.092 1.00 0.00 N flip ATOM 1049 CD2 HIS A 75 6.227 -1.298 11.222 1.00 0.00 C flip ATOM 1050 CE1 HIS A 75 5.269 -1.937 9.316 1.00 0.00 C flip ATOM 1051 NE2 HIS A 75 5.736 -0.877 10.030 1.00 0.00 N flip ATOM 1052 OXT HIS A 75 5.319 -6.273 10.546 1.00 0.00 O ATOM 0 H HIS A 75 7.666 -4.552 10.482 1.00 0.00 H new ATOM 0 HA HIS A 75 6.753 -5.592 13.102 1.00 0.00 H new ATOM 0 HB2 HIS A 75 5.622 -3.419 13.222 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.326 -3.179 12.890 1.00 0.00 H new ATOM 0 HD2 HIS A 75 6.679 -0.684 11.987 1.00 0.00 H new ATOM 0 HE1 HIS A 75 4.845 -1.901 8.323 1.00 0.00 H new ATOM 0 HE2 HIS A 75 5.719 0.093 9.715 1.00 0.00 H new TER 1061 HIS A 75