USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 527 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 36 HIS : no HD1:sc= -0.0498 X(o=-0.05,f=-0.48) USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.307 USER MOD Single : A 3 SER OG : rot 70:sc= 0.623 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -11:sc= 0.235! USER MOD Single : A 16 TYR OH : rot 180:sc= -0.0277 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -57:sc= 0.377 USER MOD Single : A 26 SER OG : rot 31:sc= 0.0332 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0869 K(o=-0.087,f=-0.88) USER MOD Single : A 44 MET CE :methyl -179:sc= 0 (180deg=-0.00205) USER MOD Single : A 48 ASN : amide:sc= -2.12 K(o=-2.1,f=-9.5!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.541 USER MOD Single : A 54 GLN : amide:sc= -0.166 K(o=-0.17,f=-3.4!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -56:sc= 0.081 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.354 17.413 9.588 1.00 0.00 N ATOM 2 CA GLY A 1 -10.790 17.286 9.757 1.00 0.00 C ATOM 3 C GLY A 1 -11.447 16.555 8.603 1.00 0.00 C ATOM 4 O GLY A 1 -12.191 17.151 7.825 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.952 17.920 10.403 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.927 16.467 9.524 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.153 17.944 8.717 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.998 16.754 10.685 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.231 18.278 9.853 1.00 0.00 H new ATOM 8 N SER A 2 -11.170 15.259 8.491 1.00 0.00 N ATOM 9 CA SER A 2 -11.735 14.447 7.420 1.00 0.00 C ATOM 10 C SER A 2 -11.749 15.217 6.103 1.00 0.00 C ATOM 11 O SER A 2 -12.744 15.212 5.378 1.00 0.00 O ATOM 12 CB SER A 2 -13.155 14.006 7.781 1.00 0.00 C ATOM 13 OG SER A 2 -13.973 15.122 8.086 1.00 0.00 O ATOM 0 H SER A 2 -10.558 14.750 9.129 1.00 0.00 H new ATOM 0 HA SER A 2 -11.108 13.564 7.298 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.589 13.449 6.950 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.123 13.330 8.635 1.00 0.00 H new ATOM 0 HG SER A 2 -14.876 14.814 8.312 1.00 0.00 H new ATOM 19 N SER A 3 -10.636 15.879 5.800 1.00 0.00 N ATOM 20 CA SER A 3 -10.520 16.657 4.573 1.00 0.00 C ATOM 21 C SER A 3 -9.178 16.404 3.894 1.00 0.00 C ATOM 22 O SER A 3 -8.131 16.416 4.539 1.00 0.00 O ATOM 23 CB SER A 3 -10.679 18.149 4.873 1.00 0.00 C ATOM 24 OG SER A 3 -12.019 18.461 5.214 1.00 0.00 O ATOM 0 H SER A 3 -9.802 15.892 6.388 1.00 0.00 H new ATOM 0 HA SER A 3 -11.315 16.343 3.897 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.017 18.431 5.692 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.377 18.732 4.003 1.00 0.00 H new ATOM 0 HG SER A 3 -12.232 18.076 6.090 1.00 0.00 H new ATOM 30 N GLY A 4 -9.218 16.174 2.584 1.00 0.00 N ATOM 31 CA GLY A 4 -8.000 15.921 1.838 1.00 0.00 C ATOM 32 C GLY A 4 -8.111 16.342 0.386 1.00 0.00 C ATOM 33 O GLY A 4 -8.662 17.400 0.080 1.00 0.00 O ATOM 0 H GLY A 4 -10.073 16.159 2.027 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.173 16.456 2.306 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.761 14.859 1.888 1.00 0.00 H new ATOM 37 N SER A 5 -7.584 15.515 -0.511 1.00 0.00 N ATOM 38 CA SER A 5 -7.622 15.810 -1.938 1.00 0.00 C ATOM 39 C SER A 5 -8.724 15.012 -2.629 1.00 0.00 C ATOM 40 O SER A 5 -8.497 14.390 -3.666 1.00 0.00 O ATOM 41 CB SER A 5 -6.270 15.496 -2.581 1.00 0.00 C ATOM 42 OG SER A 5 -6.065 16.277 -3.746 1.00 0.00 O ATOM 0 H SER A 5 -7.126 14.635 -0.274 1.00 0.00 H new ATOM 0 HA SER A 5 -7.836 16.872 -2.059 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.470 15.688 -1.866 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.222 14.437 -2.836 1.00 0.00 H new ATOM 0 HG SER A 5 -5.193 16.059 -4.137 1.00 0.00 H new ATOM 48 N SER A 6 -9.918 15.036 -2.045 1.00 0.00 N ATOM 49 CA SER A 6 -11.055 14.312 -2.601 1.00 0.00 C ATOM 50 C SER A 6 -10.621 12.955 -3.148 1.00 0.00 C ATOM 51 O SER A 6 -11.140 12.487 -4.160 1.00 0.00 O ATOM 52 CB SER A 6 -11.716 15.133 -3.710 1.00 0.00 C ATOM 53 OG SER A 6 -10.843 15.296 -4.814 1.00 0.00 O ATOM 0 H SER A 6 -10.123 15.549 -1.187 1.00 0.00 H new ATOM 0 HA SER A 6 -11.776 14.148 -1.800 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.631 14.639 -4.036 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.002 16.110 -3.322 1.00 0.00 H new ATOM 0 HG SER A 6 -9.943 14.996 -4.567 1.00 0.00 H new ATOM 59 N GLY A 7 -9.665 12.329 -2.468 1.00 0.00 N ATOM 60 CA GLY A 7 -9.177 11.032 -2.899 1.00 0.00 C ATOM 61 C GLY A 7 -7.663 10.972 -2.954 1.00 0.00 C ATOM 62 O GLY A 7 -7.043 11.564 -3.838 1.00 0.00 O ATOM 0 H GLY A 7 -9.220 12.697 -1.627 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.544 10.264 -2.218 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.583 10.804 -3.885 1.00 0.00 H new ATOM 66 N ARG A 8 -7.066 10.257 -2.006 1.00 0.00 N ATOM 67 CA ARG A 8 -5.616 10.124 -1.948 1.00 0.00 C ATOM 68 C ARG A 8 -5.154 8.877 -2.696 1.00 0.00 C ATOM 69 O ARG A 8 -5.954 7.994 -3.005 1.00 0.00 O ATOM 70 CB ARG A 8 -5.145 10.063 -0.494 1.00 0.00 C ATOM 71 CG ARG A 8 -3.636 9.968 -0.346 1.00 0.00 C ATOM 72 CD ARG A 8 -3.185 10.391 1.044 1.00 0.00 C ATOM 73 NE ARG A 8 -3.209 9.278 1.989 1.00 0.00 N ATOM 74 CZ ARG A 8 -2.534 9.272 3.134 1.00 0.00 C ATOM 75 NH1 ARG A 8 -1.787 10.313 3.473 1.00 0.00 N ATOM 76 NH2 ARG A 8 -2.607 8.222 3.942 1.00 0.00 N ATOM 0 H ARG A 8 -7.565 9.761 -1.267 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.177 10.999 -2.428 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.498 10.951 0.031 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.604 9.202 -0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.314 8.945 -0.538 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -3.155 10.599 -1.094 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.176 10.798 0.989 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.832 11.189 1.408 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.774 8.461 1.758 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.729 11.122 2.855 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.270 10.305 4.352 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.181 7.419 3.684 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -2.089 8.218 4.821 1.00 0.00 H new ATOM 90 N ARG A 9 -3.858 8.812 -2.985 1.00 0.00 N ATOM 91 CA ARG A 9 -3.290 7.674 -3.698 1.00 0.00 C ATOM 92 C ARG A 9 -1.915 7.315 -3.141 1.00 0.00 C ATOM 93 O ARG A 9 -1.209 8.168 -2.604 1.00 0.00 O ATOM 94 CB ARG A 9 -3.182 7.984 -5.192 1.00 0.00 C ATOM 95 CG ARG A 9 -4.472 7.745 -5.959 1.00 0.00 C ATOM 96 CD ARG A 9 -4.555 6.318 -6.477 1.00 0.00 C ATOM 97 NE ARG A 9 -5.356 6.224 -7.695 1.00 0.00 N ATOM 98 CZ ARG A 9 -5.023 6.810 -8.840 1.00 0.00 C ATOM 99 NH1 ARG A 9 -3.912 7.527 -8.923 1.00 0.00 N ATOM 100 NH2 ARG A 9 -5.804 6.678 -9.905 1.00 0.00 N ATOM 0 H ARG A 9 -3.182 9.534 -2.736 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.954 6.821 -3.558 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.882 9.024 -5.318 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.393 7.370 -5.626 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.325 7.948 -5.311 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.534 8.441 -6.795 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.550 5.945 -6.674 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.988 5.678 -5.708 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.218 5.679 -7.665 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.310 7.630 -8.106 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.659 7.976 -9.803 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.660 6.127 -9.845 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.548 7.128 -10.784 1.00 0.00 H new ATOM 114 N VAL A 10 -1.542 6.046 -3.273 1.00 0.00 N ATOM 115 CA VAL A 10 -0.252 5.573 -2.784 1.00 0.00 C ATOM 116 C VAL A 10 0.325 4.504 -3.704 1.00 0.00 C ATOM 117 O VAL A 10 -0.404 3.855 -4.454 1.00 0.00 O ATOM 118 CB VAL A 10 -0.368 5.002 -1.359 1.00 0.00 C ATOM 119 CG1 VAL A 10 -0.551 6.122 -0.347 1.00 0.00 C ATOM 120 CG2 VAL A 10 -1.514 4.005 -1.276 1.00 0.00 C ATOM 0 H VAL A 10 -2.115 5.327 -3.715 1.00 0.00 H new ATOM 0 HA VAL A 10 0.417 6.434 -2.769 1.00 0.00 H new ATOM 0 HB VAL A 10 0.558 4.478 -1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.631 5.698 0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.306 6.794 -0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.459 6.678 -0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.581 3.612 -0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.449 4.503 -1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.334 3.185 -1.972 1.00 0.00 H new ATOM 130 N ARG A 11 1.641 4.324 -3.640 1.00 0.00 N ATOM 131 CA ARG A 11 2.317 3.333 -4.468 1.00 0.00 C ATOM 132 C ARG A 11 3.301 2.512 -3.639 1.00 0.00 C ATOM 133 O ARG A 11 4.045 3.056 -2.823 1.00 0.00 O ATOM 134 CB ARG A 11 3.053 4.017 -5.622 1.00 0.00 C ATOM 135 CG ARG A 11 3.593 3.047 -6.660 1.00 0.00 C ATOM 136 CD ARG A 11 4.748 3.654 -7.441 1.00 0.00 C ATOM 137 NE ARG A 11 4.285 4.562 -8.486 1.00 0.00 N ATOM 138 CZ ARG A 11 3.657 4.159 -9.585 1.00 0.00 C ATOM 139 NH1 ARG A 11 3.417 2.870 -9.780 1.00 0.00 N ATOM 140 NH2 ARG A 11 3.266 5.047 -10.491 1.00 0.00 N ATOM 0 H ARG A 11 2.259 4.851 -3.024 1.00 0.00 H new ATOM 0 HA ARG A 11 1.562 2.661 -4.875 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.375 4.718 -6.110 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.880 4.602 -5.219 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.926 2.133 -6.168 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.795 2.766 -7.347 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.404 4.193 -6.757 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.341 2.857 -7.890 1.00 0.00 H new ATOM 0 HE ARG A 11 4.453 5.561 -8.366 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.715 2.185 -9.085 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.935 2.563 -10.625 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.448 6.040 -10.344 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.784 4.736 -11.335 1.00 0.00 H new ATOM 154 N ALA A 12 3.298 1.201 -3.853 1.00 0.00 N ATOM 155 CA ALA A 12 4.191 0.306 -3.128 1.00 0.00 C ATOM 156 C ALA A 12 5.622 0.422 -3.641 1.00 0.00 C ATOM 157 O ALA A 12 5.915 0.053 -4.779 1.00 0.00 O ATOM 158 CB ALA A 12 3.703 -1.131 -3.239 1.00 0.00 C ATOM 0 H ALA A 12 2.687 0.735 -4.523 1.00 0.00 H new ATOM 0 HA ALA A 12 4.185 0.600 -2.078 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.380 -1.788 -2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.701 -1.209 -2.816 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.678 -1.427 -4.288 1.00 0.00 H new ATOM 164 N ILE A 13 6.509 0.938 -2.797 1.00 0.00 N ATOM 165 CA ILE A 13 7.909 1.102 -3.167 1.00 0.00 C ATOM 166 C ILE A 13 8.645 -0.233 -3.141 1.00 0.00 C ATOM 167 O ILE A 13 9.718 -0.375 -3.729 1.00 0.00 O ATOM 168 CB ILE A 13 8.627 2.089 -2.228 1.00 0.00 C ATOM 169 CG1 ILE A 13 8.640 1.548 -0.796 1.00 0.00 C ATOM 170 CG2 ILE A 13 7.955 3.453 -2.278 1.00 0.00 C ATOM 171 CD1 ILE A 13 9.589 2.287 0.121 1.00 0.00 C ATOM 0 H ILE A 13 6.283 1.250 -1.852 1.00 0.00 H new ATOM 0 HA ILE A 13 7.922 1.502 -4.181 1.00 0.00 H new ATOM 0 HB ILE A 13 9.658 2.201 -2.564 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.632 1.606 -0.385 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.915 0.494 -0.817 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.474 4.139 -1.609 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.993 3.840 -3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.915 3.358 -1.965 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.546 1.850 1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.605 2.208 -0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.301 3.337 0.172 1.00 0.00 H new ATOM 183 N LEU A 14 8.060 -1.211 -2.458 1.00 0.00 N ATOM 184 CA LEU A 14 8.659 -2.538 -2.357 1.00 0.00 C ATOM 185 C LEU A 14 7.585 -3.609 -2.192 1.00 0.00 C ATOM 186 O LEU A 14 6.493 -3.354 -1.685 1.00 0.00 O ATOM 187 CB LEU A 14 9.633 -2.591 -1.179 1.00 0.00 C ATOM 188 CG LEU A 14 10.931 -1.800 -1.345 1.00 0.00 C ATOM 189 CD1 LEU A 14 11.691 -1.738 -0.029 1.00 0.00 C ATOM 190 CD2 LEU A 14 11.796 -2.418 -2.434 1.00 0.00 C ATOM 0 H LEU A 14 7.172 -1.111 -1.966 1.00 0.00 H new ATOM 0 HA LEU A 14 9.204 -2.735 -3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.118 -2.224 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.888 -3.634 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 14 10.678 -0.782 -1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.612 -1.171 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.074 -1.250 0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.933 -2.749 0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.716 -1.842 -2.539 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.040 -3.446 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.253 -2.409 -3.379 1.00 0.00 H new ATOM 202 N PRO A 15 7.902 -4.837 -2.629 1.00 0.00 N ATOM 203 CA PRO A 15 6.979 -5.972 -2.538 1.00 0.00 C ATOM 204 C PRO A 15 6.765 -6.432 -1.100 1.00 0.00 C ATOM 205 O PRO A 15 7.700 -6.452 -0.300 1.00 0.00 O ATOM 206 CB PRO A 15 7.679 -7.064 -3.351 1.00 0.00 C ATOM 207 CG PRO A 15 9.125 -6.714 -3.290 1.00 0.00 C ATOM 208 CD PRO A 15 9.186 -5.212 -3.245 1.00 0.00 C ATOM 0 HA PRO A 15 5.984 -5.719 -2.906 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.493 -8.052 -2.930 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.320 -7.083 -4.380 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.595 -7.150 -2.409 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.657 -7.100 -4.159 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.033 -4.862 -2.654 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.294 -4.784 -4.242 1.00 0.00 H new ATOM 216 N TYR A 16 5.530 -6.801 -0.780 1.00 0.00 N ATOM 217 CA TYR A 16 5.194 -7.259 0.563 1.00 0.00 C ATOM 218 C TYR A 16 4.337 -8.520 0.510 1.00 0.00 C ATOM 219 O TYR A 16 3.525 -8.696 -0.400 1.00 0.00 O ATOM 220 CB TYR A 16 4.457 -6.160 1.330 1.00 0.00 C ATOM 221 CG TYR A 16 3.600 -6.681 2.462 1.00 0.00 C ATOM 222 CD1 TYR A 16 4.154 -6.969 3.703 1.00 0.00 C ATOM 223 CD2 TYR A 16 2.237 -6.887 2.290 1.00 0.00 C ATOM 224 CE1 TYR A 16 3.376 -7.446 4.740 1.00 0.00 C ATOM 225 CE2 TYR A 16 1.450 -7.363 3.321 1.00 0.00 C ATOM 226 CZ TYR A 16 2.024 -7.641 4.544 1.00 0.00 C ATOM 227 OH TYR A 16 1.245 -8.116 5.573 1.00 0.00 O ATOM 0 H TYR A 16 4.745 -6.792 -1.432 1.00 0.00 H new ATOM 0 HA TYR A 16 6.123 -7.494 1.082 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.187 -5.457 1.732 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.828 -5.604 0.636 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.212 -6.817 3.860 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.785 -6.671 1.333 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.823 -7.665 5.698 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.392 -7.516 3.170 1.00 0.00 H new ATOM 0 HH TYR A 16 0.316 -8.196 5.270 1.00 0.00 H new ATOM 237 N THR A 17 4.522 -9.396 1.493 1.00 0.00 N ATOM 238 CA THR A 17 3.768 -10.641 1.559 1.00 0.00 C ATOM 239 C THR A 17 2.658 -10.557 2.601 1.00 0.00 C ATOM 240 O THR A 17 2.922 -10.392 3.792 1.00 0.00 O ATOM 241 CB THR A 17 4.682 -11.834 1.895 1.00 0.00 C ATOM 242 OG1 THR A 17 5.811 -11.850 1.014 1.00 0.00 O ATOM 243 CG2 THR A 17 3.923 -13.147 1.778 1.00 0.00 C ATOM 0 H THR A 17 5.188 -9.266 2.254 1.00 0.00 H new ATOM 0 HA THR A 17 3.327 -10.796 0.574 1.00 0.00 H new ATOM 0 HB THR A 17 5.026 -11.721 2.923 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.388 -12.611 1.235 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.589 -13.975 2.020 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.082 -13.144 2.471 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.554 -13.264 0.759 1.00 0.00 H new ATOM 251 N LYS A 18 1.416 -10.671 2.146 1.00 0.00 N ATOM 252 CA LYS A 18 0.264 -10.610 3.038 1.00 0.00 C ATOM 253 C LYS A 18 0.361 -11.677 4.124 1.00 0.00 C ATOM 254 O LYS A 18 1.114 -12.642 3.996 1.00 0.00 O ATOM 255 CB LYS A 18 -1.032 -10.790 2.245 1.00 0.00 C ATOM 256 CG LYS A 18 -1.301 -12.229 1.838 1.00 0.00 C ATOM 257 CD LYS A 18 -2.759 -12.440 1.466 1.00 0.00 C ATOM 258 CE LYS A 18 -3.591 -12.834 2.676 1.00 0.00 C ATOM 259 NZ LYS A 18 -3.617 -14.310 2.875 1.00 0.00 N ATOM 0 H LYS A 18 1.180 -10.806 1.163 1.00 0.00 H new ATOM 0 HA LYS A 18 0.257 -9.630 3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.868 -10.428 2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.989 -10.170 1.350 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.667 -12.493 0.992 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.033 -12.896 2.658 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.160 -11.525 1.029 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.833 -13.216 0.704 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.186 -12.355 3.567 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.610 -12.466 2.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.194 -14.538 3.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.027 -14.766 2.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.648 -14.658 3.019 1.00 0.00 H new ATOM 273 N VAL A 19 -0.408 -11.497 5.194 1.00 0.00 N ATOM 274 CA VAL A 19 -0.411 -12.446 6.301 1.00 0.00 C ATOM 275 C VAL A 19 -1.689 -13.278 6.308 1.00 0.00 C ATOM 276 O VAL A 19 -2.791 -12.771 6.096 1.00 0.00 O ATOM 277 CB VAL A 19 -0.272 -11.727 7.656 1.00 0.00 C ATOM 278 CG1 VAL A 19 -0.383 -12.721 8.802 1.00 0.00 C ATOM 279 CG2 VAL A 19 1.044 -10.968 7.723 1.00 0.00 C ATOM 0 H VAL A 19 -1.036 -10.703 5.317 1.00 0.00 H new ATOM 0 HA VAL A 19 0.446 -13.104 6.157 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.085 -11.008 7.751 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.282 -12.195 9.751 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.354 -13.215 8.762 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.407 -13.466 8.715 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.126 -10.466 8.687 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.873 -11.666 7.606 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.078 -10.227 6.924 1.00 0.00 H new ATOM 289 N PRO A 20 -1.540 -14.588 6.558 1.00 0.00 N ATOM 290 CA PRO A 20 -2.672 -15.518 6.600 1.00 0.00 C ATOM 291 C PRO A 20 -3.567 -15.288 7.813 1.00 0.00 C ATOM 292 O PRO A 20 -3.088 -14.950 8.895 1.00 0.00 O ATOM 293 CB PRO A 20 -1.999 -16.891 6.685 1.00 0.00 C ATOM 294 CG PRO A 20 -0.669 -16.623 7.301 1.00 0.00 C ATOM 295 CD PRO A 20 -0.257 -15.260 6.820 1.00 0.00 C ATOM 0 HA PRO A 20 -3.328 -15.401 5.737 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.584 -17.582 7.292 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -1.895 -17.343 5.698 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.730 -16.651 8.389 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.058 -17.378 7.003 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.329 -14.729 7.571 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.356 -15.320 5.921 1.00 0.00 H new ATOM 303 N ASP A 21 -4.869 -15.474 7.625 1.00 0.00 N ATOM 304 CA ASP A 21 -5.832 -15.288 8.705 1.00 0.00 C ATOM 305 C ASP A 21 -6.008 -13.807 9.027 1.00 0.00 C ATOM 306 O ASP A 21 -6.172 -13.427 10.187 1.00 0.00 O ATOM 307 CB ASP A 21 -5.380 -16.044 9.955 1.00 0.00 C ATOM 308 CG ASP A 21 -6.527 -16.327 10.906 1.00 0.00 C ATOM 309 OD1 ASP A 21 -7.535 -16.916 10.462 1.00 0.00 O ATOM 310 OD2 ASP A 21 -6.416 -15.961 12.095 1.00 0.00 O ATOM 0 H ASP A 21 -5.282 -15.753 6.735 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.792 -15.686 8.376 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.916 -16.985 9.659 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.618 -15.462 10.473 1.00 0.00 H new ATOM 315 N THR A 22 -5.971 -12.973 7.992 1.00 0.00 N ATOM 316 CA THR A 22 -6.124 -11.534 8.164 1.00 0.00 C ATOM 317 C THR A 22 -6.641 -10.879 6.888 1.00 0.00 C ATOM 318 O THR A 22 -6.684 -11.508 5.830 1.00 0.00 O ATOM 319 CB THR A 22 -4.793 -10.871 8.565 1.00 0.00 C ATOM 320 OG1 THR A 22 -3.815 -11.078 7.540 1.00 0.00 O ATOM 321 CG2 THR A 22 -4.282 -11.437 9.881 1.00 0.00 C ATOM 0 H THR A 22 -5.836 -13.270 7.026 1.00 0.00 H new ATOM 0 HA THR A 22 -6.850 -11.387 8.964 1.00 0.00 H new ATOM 0 HB THR A 22 -4.968 -9.802 8.690 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.709 -12.039 7.379 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.341 -10.954 10.144 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.016 -11.253 10.666 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.122 -12.510 9.778 1.00 0.00 H new ATOM 329 N ASP A 23 -7.030 -9.614 6.994 1.00 0.00 N ATOM 330 CA ASP A 23 -7.542 -8.873 5.847 1.00 0.00 C ATOM 331 C ASP A 23 -6.402 -8.234 5.059 1.00 0.00 C ATOM 332 O ASP A 23 -6.597 -7.237 4.365 1.00 0.00 O ATOM 333 CB ASP A 23 -8.527 -7.797 6.306 1.00 0.00 C ATOM 334 CG ASP A 23 -9.899 -8.362 6.618 1.00 0.00 C ATOM 335 OD1 ASP A 23 -10.037 -9.043 7.655 1.00 0.00 O ATOM 336 OD2 ASP A 23 -10.833 -8.124 5.825 1.00 0.00 O ATOM 0 H ASP A 23 -7.001 -9.080 7.862 1.00 0.00 H new ATOM 0 HA ASP A 23 -8.061 -9.575 5.195 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.132 -7.301 7.192 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.618 -7.037 5.530 1.00 0.00 H new ATOM 341 N GLU A 24 -5.212 -8.816 5.174 1.00 0.00 N ATOM 342 CA GLU A 24 -4.041 -8.302 4.474 1.00 0.00 C ATOM 343 C GLU A 24 -4.037 -8.753 3.016 1.00 0.00 C ATOM 344 O GLU A 24 -4.642 -9.767 2.667 1.00 0.00 O ATOM 345 CB GLU A 24 -2.759 -8.768 5.167 1.00 0.00 C ATOM 346 CG GLU A 24 -2.652 -8.320 6.615 1.00 0.00 C ATOM 347 CD GLU A 24 -2.804 -6.819 6.773 1.00 0.00 C ATOM 348 OE1 GLU A 24 -2.446 -6.083 5.830 1.00 0.00 O ATOM 349 OE2 GLU A 24 -3.281 -6.381 7.841 1.00 0.00 O ATOM 0 H GLU A 24 -5.034 -9.643 5.745 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.084 -7.213 4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.710 -9.856 5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.899 -8.390 4.614 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.418 -8.823 7.205 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.687 -8.628 7.017 1.00 0.00 H new ATOM 356 N ILE A 25 -3.352 -7.992 2.169 1.00 0.00 N ATOM 357 CA ILE A 25 -3.268 -8.313 0.750 1.00 0.00 C ATOM 358 C ILE A 25 -1.825 -8.269 0.260 1.00 0.00 C ATOM 359 O ILE A 25 -1.017 -7.477 0.746 1.00 0.00 O ATOM 360 CB ILE A 25 -4.115 -7.344 -0.097 1.00 0.00 C ATOM 361 CG1 ILE A 25 -3.787 -5.895 0.265 1.00 0.00 C ATOM 362 CG2 ILE A 25 -5.598 -7.623 0.103 1.00 0.00 C ATOM 363 CD1 ILE A 25 -4.374 -4.884 -0.695 1.00 0.00 C ATOM 0 H ILE A 25 -2.847 -7.149 2.441 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.658 -9.324 0.632 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.874 -7.499 -1.149 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.157 -5.687 1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.704 -5.772 0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.183 -6.930 -0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.820 -8.646 -0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.854 -7.492 1.154 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.101 -3.878 -0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.985 -5.065 -1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.460 -4.979 -0.705 1.00 0.00 H new ATOM 375 N SER A 26 -1.508 -9.125 -0.706 1.00 0.00 N ATOM 376 CA SER A 26 -0.161 -9.186 -1.261 1.00 0.00 C ATOM 377 C SER A 26 -0.034 -8.278 -2.481 1.00 0.00 C ATOM 378 O SER A 26 -0.872 -8.309 -3.382 1.00 0.00 O ATOM 379 CB SER A 26 0.191 -10.625 -1.644 1.00 0.00 C ATOM 380 OG SER A 26 -0.833 -11.209 -2.429 1.00 0.00 O ATOM 0 H SER A 26 -2.165 -9.786 -1.120 1.00 0.00 H new ATOM 0 HA SER A 26 0.536 -8.840 -0.498 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.130 -10.638 -2.198 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.345 -11.217 -0.742 1.00 0.00 H new ATOM 0 HG SER A 26 -1.269 -10.515 -2.967 1.00 0.00 H new ATOM 386 N PHE A 27 1.021 -7.469 -2.501 1.00 0.00 N ATOM 387 CA PHE A 27 1.258 -6.551 -3.609 1.00 0.00 C ATOM 388 C PHE A 27 2.735 -6.534 -3.994 1.00 0.00 C ATOM 389 O PHE A 27 3.575 -7.113 -3.304 1.00 0.00 O ATOM 390 CB PHE A 27 0.801 -5.139 -3.236 1.00 0.00 C ATOM 391 CG PHE A 27 1.203 -4.726 -1.849 1.00 0.00 C ATOM 392 CD1 PHE A 27 2.426 -4.116 -1.621 1.00 0.00 C ATOM 393 CD2 PHE A 27 0.358 -4.947 -0.773 1.00 0.00 C ATOM 394 CE1 PHE A 27 2.799 -3.734 -0.346 1.00 0.00 C ATOM 395 CE2 PHE A 27 0.726 -4.567 0.503 1.00 0.00 C ATOM 396 CZ PHE A 27 1.948 -3.961 0.718 1.00 0.00 C ATOM 0 H PHE A 27 1.724 -7.431 -1.763 1.00 0.00 H new ATOM 0 HA PHE A 27 0.680 -6.898 -4.466 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.216 -4.430 -3.952 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.284 -5.082 -3.323 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.096 -3.937 -2.449 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.599 -5.422 -0.934 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.755 -3.259 -0.182 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.058 -4.744 1.333 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.238 -3.665 1.716 1.00 0.00 H new ATOM 406 N LEU A 28 3.043 -5.867 -5.101 1.00 0.00 N ATOM 407 CA LEU A 28 4.418 -5.775 -5.580 1.00 0.00 C ATOM 408 C LEU A 28 4.820 -4.320 -5.803 1.00 0.00 C ATOM 409 O LEU A 28 3.983 -3.418 -5.751 1.00 0.00 O ATOM 410 CB LEU A 28 4.581 -6.565 -6.880 1.00 0.00 C ATOM 411 CG LEU A 28 4.442 -8.084 -6.763 1.00 0.00 C ATOM 412 CD1 LEU A 28 4.379 -8.721 -8.142 1.00 0.00 C ATOM 413 CD2 LEU A 28 5.595 -8.664 -5.957 1.00 0.00 C ATOM 0 H LEU A 28 2.360 -5.382 -5.683 1.00 0.00 H new ATOM 0 HA LEU A 28 5.071 -6.202 -4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.841 -6.206 -7.595 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.563 -6.341 -7.298 1.00 0.00 H new ATOM 0 HG LEU A 28 3.512 -8.306 -6.240 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.280 -9.802 -8.039 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.520 -8.328 -8.685 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.292 -8.491 -8.691 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.480 -9.745 -5.884 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.538 -8.432 -6.452 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.594 -8.231 -4.957 1.00 0.00 H new ATOM 425 N LYS A 29 6.106 -4.099 -6.053 1.00 0.00 N ATOM 426 CA LYS A 29 6.620 -2.755 -6.287 1.00 0.00 C ATOM 427 C LYS A 29 5.949 -2.119 -7.501 1.00 0.00 C ATOM 428 O LYS A 29 6.071 -2.615 -8.620 1.00 0.00 O ATOM 429 CB LYS A 29 8.136 -2.795 -6.493 1.00 0.00 C ATOM 430 CG LYS A 29 8.734 -1.452 -6.873 1.00 0.00 C ATOM 431 CD LYS A 29 10.229 -1.558 -7.123 1.00 0.00 C ATOM 432 CE LYS A 29 11.026 -1.320 -5.849 1.00 0.00 C ATOM 433 NZ LYS A 29 12.468 -1.643 -6.029 1.00 0.00 N ATOM 0 H LYS A 29 6.812 -4.834 -6.099 1.00 0.00 H new ATOM 0 HA LYS A 29 6.394 -2.149 -5.409 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.609 -3.148 -5.577 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.369 -3.521 -7.272 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.240 -1.073 -7.768 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.548 -0.731 -6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.463 -2.545 -7.521 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.525 -0.831 -7.880 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.922 -0.278 -5.545 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.615 -1.929 -5.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.977 -1.468 -5.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 12.569 -2.643 -6.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.867 -1.044 -6.780 1.00 0.00 H new ATOM 447 N GLY A 30 5.241 -1.018 -7.271 1.00 0.00 N ATOM 448 CA GLY A 30 4.562 -0.332 -8.355 1.00 0.00 C ATOM 449 C GLY A 30 3.055 -0.336 -8.190 1.00 0.00 C ATOM 450 O GLY A 30 2.371 0.576 -8.655 1.00 0.00 O ATOM 0 H GLY A 30 5.125 -0.588 -6.353 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.916 0.698 -8.407 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.822 -0.807 -9.301 1.00 0.00 H new ATOM 454 N ASP A 31 2.537 -1.364 -7.527 1.00 0.00 N ATOM 455 CA ASP A 31 1.101 -1.482 -7.302 1.00 0.00 C ATOM 456 C ASP A 31 0.538 -0.202 -6.693 1.00 0.00 C ATOM 457 O ASP A 31 1.125 0.371 -5.776 1.00 0.00 O ATOM 458 CB ASP A 31 0.803 -2.671 -6.386 1.00 0.00 C ATOM 459 CG ASP A 31 0.740 -3.983 -7.142 1.00 0.00 C ATOM 460 OD1 ASP A 31 1.616 -4.214 -8.002 1.00 0.00 O ATOM 461 OD2 ASP A 31 -0.185 -4.779 -6.875 1.00 0.00 O ATOM 0 H ASP A 31 3.090 -2.127 -7.136 1.00 0.00 H new ATOM 0 HA ASP A 31 0.620 -1.646 -8.266 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.573 -2.735 -5.617 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.145 -2.504 -5.875 1.00 0.00 H new ATOM 466 N MET A 32 -0.602 0.242 -7.211 1.00 0.00 N ATOM 467 CA MET A 32 -1.244 1.456 -6.718 1.00 0.00 C ATOM 468 C MET A 32 -2.497 1.120 -5.916 1.00 0.00 C ATOM 469 O MET A 32 -3.108 0.069 -6.110 1.00 0.00 O ATOM 470 CB MET A 32 -1.602 2.379 -7.884 1.00 0.00 C ATOM 471 CG MET A 32 -0.414 3.147 -8.439 1.00 0.00 C ATOM 472 SD MET A 32 -0.629 3.605 -10.169 1.00 0.00 S ATOM 473 CE MET A 32 -0.467 5.386 -10.071 1.00 0.00 C ATOM 0 H MET A 32 -1.101 -0.220 -7.972 1.00 0.00 H new ATOM 0 HA MET A 32 -0.541 1.969 -6.062 1.00 0.00 H new ATOM 0 HB2 MET A 32 -2.046 1.785 -8.683 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.361 3.089 -7.555 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.260 4.048 -7.845 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.486 2.540 -8.337 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.577 5.817 -11.066 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.240 5.786 -9.415 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.515 5.641 -9.672 1.00 0.00 H new ATOM 483 N PHE A 33 -2.875 2.020 -5.013 1.00 0.00 N ATOM 484 CA PHE A 33 -4.055 1.818 -4.180 1.00 0.00 C ATOM 485 C PHE A 33 -4.762 3.143 -3.910 1.00 0.00 C ATOM 486 O PHE A 33 -4.258 4.211 -4.259 1.00 0.00 O ATOM 487 CB PHE A 33 -3.664 1.156 -2.858 1.00 0.00 C ATOM 488 CG PHE A 33 -2.522 0.189 -2.985 1.00 0.00 C ATOM 489 CD1 PHE A 33 -1.242 0.642 -3.263 1.00 0.00 C ATOM 490 CD2 PHE A 33 -2.728 -1.172 -2.827 1.00 0.00 C ATOM 491 CE1 PHE A 33 -0.189 -0.246 -3.382 1.00 0.00 C ATOM 492 CE2 PHE A 33 -1.679 -2.064 -2.944 1.00 0.00 C ATOM 493 CZ PHE A 33 -0.408 -1.600 -3.221 1.00 0.00 C ATOM 0 H PHE A 33 -2.381 2.896 -4.840 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.741 1.163 -4.717 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.396 1.930 -2.139 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.530 0.632 -2.454 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.065 1.700 -3.388 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.720 -1.540 -2.610 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.804 0.119 -3.601 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.853 -3.123 -2.819 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.414 -2.295 -3.312 1.00 0.00 H new ATOM 503 N ILE A 34 -5.933 3.065 -3.286 1.00 0.00 N ATOM 504 CA ILE A 34 -6.709 4.257 -2.968 1.00 0.00 C ATOM 505 C ILE A 34 -6.994 4.345 -1.473 1.00 0.00 C ATOM 506 O ILE A 34 -7.873 3.654 -0.956 1.00 0.00 O ATOM 507 CB ILE A 34 -8.044 4.281 -3.736 1.00 0.00 C ATOM 508 CG1 ILE A 34 -7.836 3.814 -5.178 1.00 0.00 C ATOM 509 CG2 ILE A 34 -8.646 5.678 -3.708 1.00 0.00 C ATOM 510 CD1 ILE A 34 -7.995 2.321 -5.359 1.00 0.00 C ATOM 0 H ILE A 34 -6.365 2.189 -2.991 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.109 5.115 -3.272 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.739 3.597 -3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.548 4.328 -5.824 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.839 4.107 -5.506 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.589 5.679 -4.255 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.825 5.976 -2.675 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.956 6.381 -4.174 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.834 2.062 -6.405 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.265 1.800 -4.740 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.001 2.024 -5.063 1.00 0.00 H new ATOM 522 N VAL A 35 -6.247 5.199 -0.782 1.00 0.00 N ATOM 523 CA VAL A 35 -6.421 5.380 0.654 1.00 0.00 C ATOM 524 C VAL A 35 -7.840 5.829 0.983 1.00 0.00 C ATOM 525 O VAL A 35 -8.170 7.011 0.876 1.00 0.00 O ATOM 526 CB VAL A 35 -5.425 6.413 1.215 1.00 0.00 C ATOM 527 CG1 VAL A 35 -5.507 6.464 2.733 1.00 0.00 C ATOM 528 CG2 VAL A 35 -4.010 6.089 0.760 1.00 0.00 C ATOM 0 H VAL A 35 -5.515 5.777 -1.194 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.231 4.413 1.120 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.691 7.397 0.828 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.796 7.199 3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.516 6.746 3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.267 5.483 3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.319 6.828 1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.731 5.098 1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.965 6.108 -0.329 1.00 0.00 H new ATOM 538 N HIS A 36 -8.677 4.878 1.386 1.00 0.00 N ATOM 539 CA HIS A 36 -10.062 5.175 1.733 1.00 0.00 C ATOM 540 C HIS A 36 -10.193 5.499 3.218 1.00 0.00 C ATOM 541 O HIS A 36 -10.949 6.389 3.605 1.00 0.00 O ATOM 542 CB HIS A 36 -10.965 3.994 1.374 1.00 0.00 C ATOM 543 CG HIS A 36 -11.083 3.756 -0.100 1.00 0.00 C ATOM 544 ND1 HIS A 36 -11.565 4.703 -0.979 1.00 0.00 N ATOM 545 CD2 HIS A 36 -10.776 2.671 -0.848 1.00 0.00 C ATOM 546 CE1 HIS A 36 -11.552 4.210 -2.204 1.00 0.00 C ATOM 547 NE2 HIS A 36 -11.076 2.978 -2.153 1.00 0.00 N ATOM 0 H HIS A 36 -8.420 3.895 1.480 1.00 0.00 H new ATOM 0 HA HIS A 36 -10.375 6.048 1.160 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -10.577 3.093 1.849 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -11.959 4.169 1.786 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -10.371 1.738 -0.486 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -11.875 4.726 -3.096 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -10.952 2.357 -2.952 1.00 0.00 H new ATOM 555 N ASN A 37 -9.452 4.769 4.045 1.00 0.00 N ATOM 556 CA ASN A 37 -9.486 4.977 5.488 1.00 0.00 C ATOM 557 C ASN A 37 -8.083 5.223 6.036 1.00 0.00 C ATOM 558 O ASN A 37 -7.108 4.650 5.551 1.00 0.00 O ATOM 559 CB ASN A 37 -10.113 3.768 6.184 1.00 0.00 C ATOM 560 CG ASN A 37 -10.774 4.136 7.499 1.00 0.00 C ATOM 561 OD1 ASN A 37 -11.407 5.185 7.615 1.00 0.00 O ATOM 562 ND2 ASN A 37 -10.629 3.271 8.496 1.00 0.00 N ATOM 0 H ASN A 37 -8.821 4.028 3.741 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.095 5.859 5.688 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.852 3.315 5.523 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.344 3.017 6.365 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.051 3.464 9.404 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.095 2.414 8.354 1.00 0.00 H new ATOM 569 N GLU A 38 -7.991 6.078 7.049 1.00 0.00 N ATOM 570 CA GLU A 38 -6.707 6.399 7.663 1.00 0.00 C ATOM 571 C GLU A 38 -6.666 5.930 9.114 1.00 0.00 C ATOM 572 O GLU A 38 -7.237 6.566 10.001 1.00 0.00 O ATOM 573 CB GLU A 38 -6.447 7.905 7.594 1.00 0.00 C ATOM 574 CG GLU A 38 -6.286 8.431 6.177 1.00 0.00 C ATOM 575 CD GLU A 38 -6.214 9.945 6.122 1.00 0.00 C ATOM 576 OE1 GLU A 38 -5.387 10.526 6.855 1.00 0.00 O ATOM 577 OE2 GLU A 38 -6.985 10.548 5.346 1.00 0.00 O ATOM 0 H GLU A 38 -8.789 6.561 7.462 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.927 5.877 7.109 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.272 8.430 8.076 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.546 8.136 8.163 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.381 8.012 5.738 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.123 8.088 5.569 1.00 0.00 H new ATOM 584 N LEU A 39 -5.986 4.813 9.350 1.00 0.00 N ATOM 585 CA LEU A 39 -5.869 4.258 10.693 1.00 0.00 C ATOM 586 C LEU A 39 -4.721 4.912 11.455 1.00 0.00 C ATOM 587 O LEU A 39 -3.917 5.643 10.877 1.00 0.00 O ATOM 588 CB LEU A 39 -5.654 2.745 10.624 1.00 0.00 C ATOM 589 CG LEU A 39 -6.802 1.930 10.027 1.00 0.00 C ATOM 590 CD1 LEU A 39 -8.136 2.403 10.582 1.00 0.00 C ATOM 591 CD2 LEU A 39 -6.790 2.025 8.508 1.00 0.00 C ATOM 0 H LEU A 39 -5.507 4.274 8.628 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.797 4.463 11.226 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.755 2.552 10.038 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.462 2.379 11.633 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.665 0.885 10.307 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.942 1.812 10.146 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.143 2.283 11.665 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.282 3.454 10.333 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.614 1.439 8.100 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.902 3.067 8.208 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.845 1.637 8.127 1.00 0.00 H new ATOM 603 N GLU A 40 -4.649 4.641 12.755 1.00 0.00 N ATOM 604 CA GLU A 40 -3.598 5.203 13.595 1.00 0.00 C ATOM 605 C GLU A 40 -2.462 4.202 13.787 1.00 0.00 C ATOM 606 O GLU A 40 -1.287 4.566 13.743 1.00 0.00 O ATOM 607 CB GLU A 40 -4.166 5.614 14.955 1.00 0.00 C ATOM 608 CG GLU A 40 -5.013 6.874 14.906 1.00 0.00 C ATOM 609 CD GLU A 40 -5.489 7.311 16.277 1.00 0.00 C ATOM 610 OE1 GLU A 40 -6.403 6.658 16.824 1.00 0.00 O ATOM 611 OE2 GLU A 40 -4.948 8.306 16.804 1.00 0.00 O ATOM 0 H GLU A 40 -5.306 4.036 13.249 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.201 6.086 13.094 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.769 4.796 15.349 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.342 5.767 15.652 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.434 7.679 14.453 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.877 6.702 14.264 1.00 0.00 H new ATOM 618 N ASP A 41 -2.822 2.942 14.000 1.00 0.00 N ATOM 619 CA ASP A 41 -1.834 1.887 14.199 1.00 0.00 C ATOM 620 C ASP A 41 -0.684 2.027 13.207 1.00 0.00 C ATOM 621 O ASP A 41 0.446 1.630 13.491 1.00 0.00 O ATOM 622 CB ASP A 41 -2.488 0.512 14.050 1.00 0.00 C ATOM 623 CG ASP A 41 -3.723 0.362 14.916 1.00 0.00 C ATOM 624 OD1 ASP A 41 -3.569 0.193 16.144 1.00 0.00 O ATOM 625 OD2 ASP A 41 -4.843 0.412 14.366 1.00 0.00 O ATOM 0 H ASP A 41 -3.791 2.625 14.039 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.434 1.983 15.208 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.758 0.353 13.006 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.766 -0.261 14.314 1.00 0.00 H new ATOM 630 N GLY A 42 -0.979 2.595 12.041 1.00 0.00 N ATOM 631 CA GLY A 42 0.040 2.776 11.025 1.00 0.00 C ATOM 632 C GLY A 42 -0.321 2.105 9.715 1.00 0.00 C ATOM 633 O GLY A 42 0.557 1.734 8.936 1.00 0.00 O ATOM 0 H GLY A 42 -1.906 2.933 11.783 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.192 3.842 10.854 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.986 2.373 11.388 1.00 0.00 H new ATOM 637 N TRP A 43 -1.617 1.947 9.471 1.00 0.00 N ATOM 638 CA TRP A 43 -2.093 1.313 8.246 1.00 0.00 C ATOM 639 C TRP A 43 -3.135 2.184 7.553 1.00 0.00 C ATOM 640 O TRP A 43 -3.519 3.235 8.065 1.00 0.00 O ATOM 641 CB TRP A 43 -2.684 -0.063 8.556 1.00 0.00 C ATOM 642 CG TRP A 43 -1.745 -0.959 9.305 1.00 0.00 C ATOM 643 CD1 TRP A 43 -1.251 -0.760 10.562 1.00 0.00 C ATOM 644 CD2 TRP A 43 -1.184 -2.192 8.841 1.00 0.00 C ATOM 645 NE1 TRP A 43 -0.417 -1.796 10.909 1.00 0.00 N ATOM 646 CE2 TRP A 43 -0.361 -2.688 9.871 1.00 0.00 C ATOM 647 CE3 TRP A 43 -1.300 -2.927 7.658 1.00 0.00 C ATOM 648 CZ2 TRP A 43 0.343 -3.883 9.750 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -0.601 -4.113 7.540 1.00 0.00 C ATOM 650 CH2 TRP A 43 0.211 -4.582 8.581 1.00 0.00 C ATOM 0 H TRP A 43 -2.357 2.249 10.105 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.243 1.192 7.574 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.596 0.064 9.140 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.969 -0.547 7.622 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.482 0.087 11.191 1.00 0.00 H new ATOM 0 HE1 TRP A 43 0.080 -1.886 11.795 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.925 -2.574 6.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.971 -4.245 10.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.682 -4.688 6.630 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.743 -5.514 8.458 1.00 0.00 H new ATOM 661 N MET A 44 -3.589 1.740 6.386 1.00 0.00 N ATOM 662 CA MET A 44 -4.589 2.479 5.623 1.00 0.00 C ATOM 663 C MET A 44 -5.389 1.542 4.725 1.00 0.00 C ATOM 664 O MET A 44 -4.829 0.866 3.862 1.00 0.00 O ATOM 665 CB MET A 44 -3.917 3.564 4.780 1.00 0.00 C ATOM 666 CG MET A 44 -2.698 4.183 5.444 1.00 0.00 C ATOM 667 SD MET A 44 -1.818 5.321 4.357 1.00 0.00 S ATOM 668 CE MET A 44 -0.779 4.183 3.445 1.00 0.00 C ATOM 0 H MET A 44 -3.281 0.872 5.948 1.00 0.00 H new ATOM 0 HA MET A 44 -5.274 2.949 6.328 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.621 3.137 3.822 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.643 4.349 4.568 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.009 4.714 6.344 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.020 3.391 5.760 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.159 4.740 2.742 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.140 3.638 4.139 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.405 3.478 2.898 1.00 0.00 H new ATOM 678 N TRP A 45 -6.701 1.507 4.933 1.00 0.00 N ATOM 679 CA TRP A 45 -7.578 0.652 4.141 1.00 0.00 C ATOM 680 C TRP A 45 -7.595 1.093 2.682 1.00 0.00 C ATOM 681 O TRP A 45 -8.378 1.961 2.295 1.00 0.00 O ATOM 682 CB TRP A 45 -8.997 0.675 4.711 1.00 0.00 C ATOM 683 CG TRP A 45 -9.928 -0.278 4.025 1.00 0.00 C ATOM 684 CD1 TRP A 45 -10.677 -0.032 2.910 1.00 0.00 C ATOM 685 CD2 TRP A 45 -10.211 -1.627 4.411 1.00 0.00 C ATOM 686 NE1 TRP A 45 -11.408 -1.147 2.579 1.00 0.00 N ATOM 687 CE2 TRP A 45 -11.139 -2.140 3.483 1.00 0.00 C ATOM 688 CE3 TRP A 45 -9.768 -2.453 5.447 1.00 0.00 C ATOM 689 CZ2 TRP A 45 -11.632 -3.439 3.565 1.00 0.00 C ATOM 690 CZ3 TRP A 45 -10.259 -3.743 5.527 1.00 0.00 C ATOM 691 CH2 TRP A 45 -11.182 -4.226 4.590 1.00 0.00 C ATOM 0 H TRP A 45 -7.180 2.061 5.643 1.00 0.00 H new ATOM 0 HA TRP A 45 -7.192 -0.366 4.188 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -8.958 0.433 5.773 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -9.398 1.685 4.629 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -10.692 0.902 2.368 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -12.048 -1.223 1.788 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -9.055 -2.090 6.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -12.345 -3.813 2.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -9.925 -4.389 6.325 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -11.545 -5.239 4.678 1.00 0.00 H new ATOM 702 N VAL A 46 -6.728 0.491 1.875 1.00 0.00 N ATOM 703 CA VAL A 46 -6.645 0.821 0.457 1.00 0.00 C ATOM 704 C VAL A 46 -7.192 -0.312 -0.404 1.00 0.00 C ATOM 705 O VAL A 46 -7.418 -1.422 0.080 1.00 0.00 O ATOM 706 CB VAL A 46 -5.195 1.119 0.034 1.00 0.00 C ATOM 707 CG1 VAL A 46 -4.506 1.996 1.069 1.00 0.00 C ATOM 708 CG2 VAL A 46 -4.425 -0.176 -0.176 1.00 0.00 C ATOM 0 H VAL A 46 -6.072 -0.229 2.179 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.251 1.714 0.304 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.215 1.661 -0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.482 2.196 0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.046 2.938 1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.495 1.483 2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.402 0.053 -0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.413 -0.747 0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.908 -0.764 -0.957 1.00 0.00 H new ATOM 718 N THR A 47 -7.402 -0.026 -1.685 1.00 0.00 N ATOM 719 CA THR A 47 -7.923 -1.020 -2.615 1.00 0.00 C ATOM 720 C THR A 47 -6.989 -1.201 -3.806 1.00 0.00 C ATOM 721 O THR A 47 -7.107 -0.502 -4.811 1.00 0.00 O ATOM 722 CB THR A 47 -9.322 -0.631 -3.128 1.00 0.00 C ATOM 723 OG1 THR A 47 -10.214 -0.442 -2.024 1.00 0.00 O ATOM 724 CG2 THR A 47 -9.875 -1.702 -4.056 1.00 0.00 C ATOM 0 H THR A 47 -7.219 0.887 -2.102 1.00 0.00 H new ATOM 0 HA THR A 47 -7.994 -1.959 -2.067 1.00 0.00 H new ATOM 0 HB THR A 47 -9.234 0.301 -3.686 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.101 -0.193 -2.359 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.864 -1.405 -4.406 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.209 -1.822 -4.910 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.949 -2.647 -3.518 1.00 0.00 H new ATOM 732 N ASN A 48 -6.061 -2.145 -3.686 1.00 0.00 N ATOM 733 CA ASN A 48 -5.106 -2.418 -4.754 1.00 0.00 C ATOM 734 C ASN A 48 -5.763 -2.266 -6.123 1.00 0.00 C ATOM 735 O ASN A 48 -6.908 -2.672 -6.323 1.00 0.00 O ATOM 736 CB ASN A 48 -4.533 -3.829 -4.606 1.00 0.00 C ATOM 737 CG ASN A 48 -3.157 -3.962 -5.231 1.00 0.00 C ATOM 738 OD1 ASN A 48 -2.929 -3.518 -6.356 1.00 0.00 O ATOM 739 ND2 ASN A 48 -2.234 -4.578 -4.502 1.00 0.00 N ATOM 0 H ASN A 48 -5.950 -2.733 -2.860 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.295 -1.693 -4.676 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.475 -4.086 -3.548 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.211 -4.544 -5.071 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.290 -4.699 -4.870 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.468 -4.930 -3.574 1.00 0.00 H new ATOM 746 N LEU A 49 -5.030 -1.678 -7.062 1.00 0.00 N ATOM 747 CA LEU A 49 -5.541 -1.472 -8.414 1.00 0.00 C ATOM 748 C LEU A 49 -5.225 -2.670 -9.303 1.00 0.00 C ATOM 749 O LEU A 49 -5.782 -2.811 -10.392 1.00 0.00 O ATOM 750 CB LEU A 49 -4.941 -0.201 -9.018 1.00 0.00 C ATOM 751 CG LEU A 49 -5.568 1.118 -8.565 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.991 2.282 -9.356 1.00 0.00 C ATOM 753 CD2 LEU A 49 -7.081 1.067 -8.713 1.00 0.00 C ATOM 0 H LEU A 49 -4.081 -1.336 -6.913 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.624 -1.363 -8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.878 -0.176 -8.779 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.022 -0.265 -10.103 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.331 1.269 -7.512 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.449 3.213 -9.020 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.913 2.330 -9.199 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.197 2.139 -10.417 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.511 2.014 -8.386 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.339 0.893 -9.758 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.479 0.257 -8.101 1.00 0.00 H new ATOM 765 N ARG A 50 -4.330 -3.532 -8.831 1.00 0.00 N ATOM 766 CA ARG A 50 -3.941 -4.718 -9.584 1.00 0.00 C ATOM 767 C ARG A 50 -4.841 -5.901 -9.238 1.00 0.00 C ATOM 768 O ARG A 50 -5.425 -6.531 -10.121 1.00 0.00 O ATOM 769 CB ARG A 50 -2.481 -5.074 -9.297 1.00 0.00 C ATOM 770 CG ARG A 50 -2.073 -6.441 -9.822 1.00 0.00 C ATOM 771 CD ARG A 50 -0.561 -6.571 -9.921 1.00 0.00 C ATOM 772 NE ARG A 50 0.049 -6.866 -8.628 1.00 0.00 N ATOM 773 CZ ARG A 50 -0.040 -8.046 -8.025 1.00 0.00 C ATOM 774 NH1 ARG A 50 -0.711 -9.037 -8.596 1.00 0.00 N ATOM 775 NH2 ARG A 50 0.543 -8.238 -6.848 1.00 0.00 N ATOM 0 H ARG A 50 -3.861 -3.431 -7.931 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.052 -4.497 -10.645 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.837 -4.316 -9.742 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.313 -5.043 -8.220 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.464 -7.216 -9.163 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.518 -6.603 -10.804 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.311 -7.362 -10.629 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.143 -5.645 -10.316 1.00 0.00 H new ATOM 0 HE ARG A 50 0.572 -6.125 -8.162 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.160 -8.894 -9.500 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.778 -9.942 -8.131 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.060 -7.479 -6.405 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.474 -9.145 -6.386 1.00 0.00 H new ATOM 789 N THR A 51 -4.949 -6.198 -7.946 1.00 0.00 N ATOM 790 CA THR A 51 -5.776 -7.305 -7.483 1.00 0.00 C ATOM 791 C THR A 51 -7.225 -6.869 -7.298 1.00 0.00 C ATOM 792 O THR A 51 -8.136 -7.697 -7.289 1.00 0.00 O ATOM 793 CB THR A 51 -5.251 -7.881 -6.155 1.00 0.00 C ATOM 794 OG1 THR A 51 -5.275 -6.871 -5.139 1.00 0.00 O ATOM 795 CG2 THR A 51 -3.834 -8.410 -6.317 1.00 0.00 C ATOM 0 H THR A 51 -4.474 -5.687 -7.202 1.00 0.00 H new ATOM 0 HA THR A 51 -5.728 -8.078 -8.250 1.00 0.00 H new ATOM 0 HB THR A 51 -5.899 -8.707 -5.862 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.941 -7.246 -4.297 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.485 -8.812 -5.366 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.824 -9.198 -7.070 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.177 -7.599 -6.632 1.00 0.00 H new ATOM 803 N ASP A 52 -7.431 -5.565 -7.151 1.00 0.00 N ATOM 804 CA ASP A 52 -8.770 -5.018 -6.967 1.00 0.00 C ATOM 805 C ASP A 52 -9.396 -5.535 -5.676 1.00 0.00 C ATOM 806 O ASP A 52 -10.609 -5.725 -5.596 1.00 0.00 O ATOM 807 CB ASP A 52 -9.659 -5.378 -8.159 1.00 0.00 C ATOM 808 CG ASP A 52 -9.078 -4.906 -9.478 1.00 0.00 C ATOM 809 OD1 ASP A 52 -8.107 -5.529 -9.955 1.00 0.00 O ATOM 810 OD2 ASP A 52 -9.594 -3.913 -10.032 1.00 0.00 O ATOM 0 H ASP A 52 -6.687 -4.867 -7.156 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.686 -3.933 -6.900 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.797 -6.459 -8.192 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.645 -4.935 -8.020 1.00 0.00 H new ATOM 815 N GLU A 53 -8.559 -5.762 -4.668 1.00 0.00 N ATOM 816 CA GLU A 53 -9.031 -6.260 -3.381 1.00 0.00 C ATOM 817 C GLU A 53 -8.718 -5.266 -2.266 1.00 0.00 C ATOM 818 O GLU A 53 -7.724 -4.544 -2.326 1.00 0.00 O ATOM 819 CB GLU A 53 -8.392 -7.614 -3.068 1.00 0.00 C ATOM 820 CG GLU A 53 -8.861 -8.734 -3.981 1.00 0.00 C ATOM 821 CD GLU A 53 -8.699 -10.105 -3.353 1.00 0.00 C ATOM 822 OE1 GLU A 53 -9.587 -10.511 -2.575 1.00 0.00 O ATOM 823 OE2 GLU A 53 -7.683 -10.772 -3.641 1.00 0.00 O ATOM 0 H GLU A 53 -7.552 -5.609 -4.718 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.112 -6.383 -3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.309 -7.522 -3.147 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.615 -7.881 -2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.909 -8.576 -4.235 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.298 -8.697 -4.914 1.00 0.00 H new ATOM 830 N GLN A 54 -9.575 -5.237 -1.250 1.00 0.00 N ATOM 831 CA GLN A 54 -9.390 -4.332 -0.122 1.00 0.00 C ATOM 832 C GLN A 54 -8.546 -4.985 0.967 1.00 0.00 C ATOM 833 O GLN A 54 -8.735 -6.155 1.295 1.00 0.00 O ATOM 834 CB GLN A 54 -10.746 -3.912 0.450 1.00 0.00 C ATOM 835 CG GLN A 54 -11.690 -3.330 -0.589 1.00 0.00 C ATOM 836 CD GLN A 54 -13.148 -3.578 -0.257 1.00 0.00 C ATOM 837 OE1 GLN A 54 -13.493 -3.889 0.884 1.00 0.00 O ATOM 838 NE2 GLN A 54 -14.014 -3.442 -1.254 1.00 0.00 N ATOM 0 H GLN A 54 -10.403 -5.829 -1.185 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.865 -3.447 -0.481 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.219 -4.777 0.914 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.587 -3.175 1.237 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -11.517 -2.257 -0.670 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -11.464 -3.764 -1.563 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -13.685 -3.183 -2.184 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -15.009 -3.597 -1.090 1.00 0.00 H new ATOM 847 N GLY A 55 -7.612 -4.219 1.525 1.00 0.00 N ATOM 848 CA GLY A 55 -6.753 -4.741 2.571 1.00 0.00 C ATOM 849 C GLY A 55 -6.102 -3.642 3.389 1.00 0.00 C ATOM 850 O GLY A 55 -6.470 -2.472 3.274 1.00 0.00 O ATOM 0 H GLY A 55 -7.436 -3.247 1.271 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.337 -5.383 3.230 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.979 -5.364 2.124 1.00 0.00 H new ATOM 854 N LEU A 56 -5.134 -4.018 4.217 1.00 0.00 N ATOM 855 CA LEU A 56 -4.432 -3.056 5.059 1.00 0.00 C ATOM 856 C LEU A 56 -2.956 -2.979 4.684 1.00 0.00 C ATOM 857 O LEU A 56 -2.269 -3.999 4.613 1.00 0.00 O ATOM 858 CB LEU A 56 -4.575 -3.438 6.534 1.00 0.00 C ATOM 859 CG LEU A 56 -5.988 -3.356 7.114 1.00 0.00 C ATOM 860 CD1 LEU A 56 -6.166 -4.371 8.232 1.00 0.00 C ATOM 861 CD2 LEU A 56 -6.276 -1.949 7.618 1.00 0.00 C ATOM 0 H LEU A 56 -4.817 -4.982 4.323 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.881 -2.076 4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.210 -4.457 6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.924 -2.790 7.121 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.699 -3.590 6.322 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.177 -4.298 8.632 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.002 -5.375 7.841 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.446 -4.169 9.025 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.285 -1.909 8.027 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.558 -1.687 8.396 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.191 -1.242 6.793 1.00 0.00 H new ATOM 873 N ILE A 57 -2.473 -1.764 4.446 1.00 0.00 N ATOM 874 CA ILE A 57 -1.078 -1.554 4.081 1.00 0.00 C ATOM 875 C ILE A 57 -0.423 -0.515 4.985 1.00 0.00 C ATOM 876 O ILE A 57 -1.075 0.421 5.446 1.00 0.00 O ATOM 877 CB ILE A 57 -0.941 -1.102 2.615 1.00 0.00 C ATOM 878 CG1 ILE A 57 -1.324 0.373 2.476 1.00 0.00 C ATOM 879 CG2 ILE A 57 -1.807 -1.967 1.711 1.00 0.00 C ATOM 880 CD1 ILE A 57 -1.112 0.923 1.083 1.00 0.00 C ATOM 0 H ILE A 57 -3.028 -0.910 4.500 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.572 -2.511 4.206 1.00 0.00 H new ATOM 0 HB ILE A 57 0.099 -1.219 2.309 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.372 0.496 2.751 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.738 0.960 3.183 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.700 -1.635 0.678 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.492 -3.007 1.793 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.850 -1.879 2.014 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.404 1.973 1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.060 0.833 0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.719 0.361 0.373 1.00 0.00 H new ATOM 892 N VAL A 58 0.871 -0.687 5.234 1.00 0.00 N ATOM 893 CA VAL A 58 1.616 0.237 6.081 1.00 0.00 C ATOM 894 C VAL A 58 2.303 1.314 5.248 1.00 0.00 C ATOM 895 O VAL A 58 2.780 1.048 4.145 1.00 0.00 O ATOM 896 CB VAL A 58 2.676 -0.500 6.920 1.00 0.00 C ATOM 897 CG1 VAL A 58 3.688 -1.189 6.018 1.00 0.00 C ATOM 898 CG2 VAL A 58 3.367 0.465 7.872 1.00 0.00 C ATOM 0 H VAL A 58 1.425 -1.458 4.861 1.00 0.00 H new ATOM 0 HA VAL A 58 0.894 0.704 6.751 1.00 0.00 H new ATOM 0 HB VAL A 58 2.176 -1.265 7.514 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.429 -1.704 6.629 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.176 -1.911 5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.185 -0.446 5.395 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.113 -0.073 8.457 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.855 1.254 7.300 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.629 0.906 8.542 1.00 0.00 H new ATOM 908 N GLU A 59 2.348 2.530 5.783 1.00 0.00 N ATOM 909 CA GLU A 59 2.977 3.647 5.088 1.00 0.00 C ATOM 910 C GLU A 59 4.477 3.416 4.931 1.00 0.00 C ATOM 911 O GLU A 59 5.161 4.161 4.229 1.00 0.00 O ATOM 912 CB GLU A 59 2.728 4.953 5.846 1.00 0.00 C ATOM 913 CG GLU A 59 3.524 5.071 7.134 1.00 0.00 C ATOM 914 CD GLU A 59 3.362 6.424 7.799 1.00 0.00 C ATOM 915 OE1 GLU A 59 2.207 6.829 8.047 1.00 0.00 O ATOM 916 OE2 GLU A 59 4.391 7.077 8.071 1.00 0.00 O ATOM 0 H GLU A 59 1.957 2.767 6.695 1.00 0.00 H new ATOM 0 HA GLU A 59 2.533 3.720 4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.977 5.793 5.197 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.666 5.032 6.077 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.207 4.290 7.825 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.579 4.899 6.921 1.00 0.00 H new ATOM 923 N ASP A 60 4.981 2.378 5.590 1.00 0.00 N ATOM 924 CA ASP A 60 6.400 2.047 5.523 1.00 0.00 C ATOM 925 C ASP A 60 6.692 1.143 4.330 1.00 0.00 C ATOM 926 O ASP A 60 7.846 0.811 4.056 1.00 0.00 O ATOM 927 CB ASP A 60 6.847 1.364 6.817 1.00 0.00 C ATOM 928 CG ASP A 60 6.552 2.202 8.046 1.00 0.00 C ATOM 929 OD1 ASP A 60 7.092 3.324 8.142 1.00 0.00 O ATOM 930 OD2 ASP A 60 5.783 1.735 8.912 1.00 0.00 O ATOM 0 H ASP A 60 4.429 1.752 6.176 1.00 0.00 H new ATOM 0 HA ASP A 60 6.959 2.975 5.398 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.345 0.401 6.908 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.917 1.162 6.767 1.00 0.00 H new ATOM 935 N LEU A 61 5.639 0.748 3.622 1.00 0.00 N ATOM 936 CA LEU A 61 5.782 -0.119 2.457 1.00 0.00 C ATOM 937 C LEU A 61 5.291 0.581 1.194 1.00 0.00 C ATOM 938 O LEU A 61 5.351 0.023 0.099 1.00 0.00 O ATOM 939 CB LEU A 61 5.006 -1.420 2.667 1.00 0.00 C ATOM 940 CG LEU A 61 5.640 -2.433 3.621 1.00 0.00 C ATOM 941 CD1 LEU A 61 4.640 -3.519 3.987 1.00 0.00 C ATOM 942 CD2 LEU A 61 6.889 -3.042 3.000 1.00 0.00 C ATOM 0 H LEU A 61 4.677 1.014 3.834 1.00 0.00 H new ATOM 0 HA LEU A 61 6.840 -0.350 2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.013 -1.171 3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.871 -1.899 1.698 1.00 0.00 H new ATOM 0 HG LEU A 61 5.930 -1.912 4.534 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.109 -4.231 4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.775 -3.068 4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.319 -4.037 3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.327 -3.760 3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.624 -3.548 2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.612 -2.254 2.790 1.00 0.00 H new ATOM 954 N VAL A 62 4.808 1.809 1.354 1.00 0.00 N ATOM 955 CA VAL A 62 4.310 2.588 0.227 1.00 0.00 C ATOM 956 C VAL A 62 4.737 4.047 0.335 1.00 0.00 C ATOM 957 O VAL A 62 5.367 4.448 1.313 1.00 0.00 O ATOM 958 CB VAL A 62 2.774 2.520 0.132 1.00 0.00 C ATOM 959 CG1 VAL A 62 2.306 1.073 0.086 1.00 0.00 C ATOM 960 CG2 VAL A 62 2.136 3.258 1.299 1.00 0.00 C ATOM 0 H VAL A 62 4.751 2.286 2.254 1.00 0.00 H new ATOM 0 HA VAL A 62 4.742 2.152 -0.674 1.00 0.00 H new ATOM 0 HB VAL A 62 2.462 3.008 -0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.218 1.044 0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.736 0.579 -0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.627 0.558 0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.051 3.200 1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.454 2.801 2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.446 4.303 1.282 1.00 0.00 H new ATOM 970 N GLU A 63 4.390 4.837 -0.677 1.00 0.00 N ATOM 971 CA GLU A 63 4.738 6.252 -0.694 1.00 0.00 C ATOM 972 C GLU A 63 3.636 7.076 -1.355 1.00 0.00 C ATOM 973 O GLU A 63 3.046 6.656 -2.350 1.00 0.00 O ATOM 974 CB GLU A 63 6.061 6.466 -1.433 1.00 0.00 C ATOM 975 CG GLU A 63 5.914 6.511 -2.944 1.00 0.00 C ATOM 976 CD GLU A 63 7.224 6.806 -3.649 1.00 0.00 C ATOM 977 OE1 GLU A 63 7.708 7.953 -3.545 1.00 0.00 O ATOM 978 OE2 GLU A 63 7.764 5.891 -4.305 1.00 0.00 O ATOM 0 H GLU A 63 3.869 4.521 -1.495 1.00 0.00 H new ATOM 0 HA GLU A 63 4.848 6.585 0.338 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.511 7.399 -1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.750 5.664 -1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.523 5.556 -3.296 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.182 7.273 -3.212 1.00 0.00 H new ATOM 985 N GLU A 64 3.364 8.249 -0.793 1.00 0.00 N ATOM 986 CA GLU A 64 2.332 9.131 -1.326 1.00 0.00 C ATOM 987 C GLU A 64 2.643 9.522 -2.768 1.00 0.00 C ATOM 988 O GLU A 64 3.799 9.753 -3.125 1.00 0.00 O ATOM 989 CB GLU A 64 2.206 10.386 -0.462 1.00 0.00 C ATOM 990 CG GLU A 64 3.455 11.252 -0.458 1.00 0.00 C ATOM 991 CD GLU A 64 4.442 10.847 0.619 1.00 0.00 C ATOM 992 OE1 GLU A 64 4.098 10.963 1.814 1.00 0.00 O ATOM 993 OE2 GLU A 64 5.559 10.413 0.266 1.00 0.00 O ATOM 0 H GLU A 64 3.844 8.611 0.031 1.00 0.00 H new ATOM 0 HA GLU A 64 1.385 8.591 -1.310 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.364 10.979 -0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.976 10.090 0.562 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.940 11.189 -1.432 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.170 12.294 -0.311 1.00 0.00 H new ATOM 1000 N VAL A 65 1.603 9.594 -3.593 1.00 0.00 N ATOM 1001 CA VAL A 65 1.764 9.958 -4.996 1.00 0.00 C ATOM 1002 C VAL A 65 0.511 10.640 -5.534 1.00 0.00 C ATOM 1003 O VAL A 65 -0.594 10.110 -5.420 1.00 0.00 O ATOM 1004 CB VAL A 65 2.076 8.724 -5.863 1.00 0.00 C ATOM 1005 CG1 VAL A 65 0.908 7.750 -5.847 1.00 0.00 C ATOM 1006 CG2 VAL A 65 2.411 9.145 -7.287 1.00 0.00 C ATOM 0 H VAL A 65 0.640 9.405 -3.314 1.00 0.00 H new ATOM 0 HA VAL A 65 2.603 10.652 -5.049 1.00 0.00 H new ATOM 0 HB VAL A 65 2.945 8.217 -5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.147 6.885 -6.465 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.720 7.424 -4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.019 8.242 -6.240 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.629 8.261 -7.886 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.562 9.676 -7.719 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.282 9.800 -7.277 1.00 0.00 H new ATOM 1016 N SER A 66 0.691 11.818 -6.121 1.00 0.00 N ATOM 1017 CA SER A 66 -0.425 12.575 -6.674 1.00 0.00 C ATOM 1018 C SER A 66 -0.191 12.890 -8.149 1.00 0.00 C ATOM 1019 O SER A 66 0.927 13.198 -8.559 1.00 0.00 O ATOM 1020 CB SER A 66 -0.627 13.873 -5.890 1.00 0.00 C ATOM 1021 OG SER A 66 -1.955 14.350 -6.026 1.00 0.00 O ATOM 0 H SER A 66 1.600 12.269 -6.226 1.00 0.00 H new ATOM 0 HA SER A 66 -1.323 11.964 -6.589 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.404 13.704 -4.837 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.073 14.629 -6.246 1.00 0.00 H new ATOM 0 HG SER A 66 -2.059 15.179 -5.514 1.00 0.00 H new ATOM 1027 N GLY A 67 -1.256 12.810 -8.941 1.00 0.00 N ATOM 1028 CA GLY A 67 -1.146 13.088 -10.361 1.00 0.00 C ATOM 1029 C GLY A 67 -0.604 11.908 -11.143 1.00 0.00 C ATOM 1030 O GLY A 67 0.175 11.103 -10.633 1.00 0.00 O ATOM 0 H GLY A 67 -2.192 12.558 -8.625 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.127 13.359 -10.752 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.494 13.949 -10.510 1.00 0.00 H new ATOM 1034 N PRO A 68 -1.021 11.793 -12.413 1.00 0.00 N ATOM 1035 CA PRO A 68 -0.586 10.705 -13.293 1.00 0.00 C ATOM 1036 C PRO A 68 0.883 10.828 -13.684 1.00 0.00 C ATOM 1037 O PRO A 68 1.281 11.785 -14.348 1.00 0.00 O ATOM 1038 CB PRO A 68 -1.482 10.864 -14.524 1.00 0.00 C ATOM 1039 CG PRO A 68 -1.864 12.304 -14.530 1.00 0.00 C ATOM 1040 CD PRO A 68 -1.950 12.716 -13.087 1.00 0.00 C ATOM 0 HA PRO A 68 -0.671 9.732 -12.810 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.953 10.591 -15.437 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -2.360 10.222 -14.460 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.124 12.902 -15.063 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.818 12.452 -15.036 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.655 13.756 -12.948 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.965 12.618 -12.701 1.00 0.00 H new ATOM 1048 N SER A 69 1.685 9.852 -13.269 1.00 0.00 N ATOM 1049 CA SER A 69 3.111 9.853 -13.573 1.00 0.00 C ATOM 1050 C SER A 69 3.379 9.200 -14.925 1.00 0.00 C ATOM 1051 O SER A 69 2.602 8.364 -15.388 1.00 0.00 O ATOM 1052 CB SER A 69 3.888 9.121 -12.477 1.00 0.00 C ATOM 1053 OG SER A 69 4.228 10.000 -11.419 1.00 0.00 O ATOM 0 H SER A 69 1.371 9.051 -12.721 1.00 0.00 H new ATOM 0 HA SER A 69 3.447 10.889 -13.617 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.289 8.297 -12.091 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.794 8.686 -12.898 1.00 0.00 H new ATOM 0 HG SER A 69 4.722 9.508 -10.731 1.00 0.00 H new ATOM 1059 N SER A 70 4.483 9.588 -15.554 1.00 0.00 N ATOM 1060 CA SER A 70 4.853 9.044 -16.856 1.00 0.00 C ATOM 1061 C SER A 70 3.671 9.089 -17.819 1.00 0.00 C ATOM 1062 O SER A 70 3.439 8.150 -18.579 1.00 0.00 O ATOM 1063 CB SER A 70 5.350 7.605 -16.708 1.00 0.00 C ATOM 1064 OG SER A 70 6.079 7.196 -17.852 1.00 0.00 O ATOM 0 H SER A 70 5.137 10.277 -15.184 1.00 0.00 H new ATOM 0 HA SER A 70 5.656 9.658 -17.264 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.981 7.524 -15.823 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.501 6.938 -16.556 1.00 0.00 H new ATOM 0 HG SER A 70 5.523 7.308 -18.651 1.00 0.00 H new ATOM 1070 N GLY A 71 2.925 10.190 -17.780 1.00 0.00 N ATOM 1071 CA GLY A 71 1.776 10.338 -18.654 1.00 0.00 C ATOM 1072 C GLY A 71 1.476 11.789 -18.975 1.00 0.00 C ATOM 1073 O GLY A 71 0.353 12.255 -18.781 1.00 0.00 O ATOM 0 H GLY A 71 3.096 10.981 -17.159 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.956 9.793 -19.581 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.904 9.885 -18.182 1.00 0.00 H new TER 1077 GLY A 71