USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 639 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.051 (180deg=0) USER MOD Single : A 2 SER OG : rot 13:sc= 0.182 USER MOD Single : A 3 SER OG : rot 20:sc= 0.751 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.0966 K(o=-0.097,f=-1.8!) USER MOD Single : A 30 THR OG1 : rot 110:sc= -0.0685 USER MOD Single : A 31 ASN : amide:sc= -3.29! K(o=-3.3!,f=-0.26) USER MOD Single : A 34 GLN : amide:sc= -0.0755 K(o=-0.076,f=-1.5!) USER MOD Single : A 41 ASN : amide:sc= -0.485 X(o=-0.49,f=0) USER MOD Single : A 44 TYR OH : rot -141:sc= 0.333 USER MOD Single : A 45 CYS SG : rot 6:sc= -0.557 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -97:sc= 0.379 USER MOD Single : A 53 HIS : no HD1:sc= -0.0989 X(o=-0.099,f=-0.08) USER MOD Single : A 58 GLN : amide:sc= 0.0156 X(o=0.016,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.7!) USER MOD Single : A 63 HIS : no HD1:sc= -0.899 K(o=-0.9,f=-0.085) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0.359 K(o=0.36,f=-5.4!) USER MOD Single : A 79 ASN : amide:sc= -0.0691 K(o=-0.069,f=-1.6!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.621 -42.036 -27.989 1.00 0.00 N ATOM 2 CA GLY A 1 -22.334 -40.966 -27.052 1.00 0.00 C ATOM 3 C GLY A 1 -21.907 -39.687 -27.744 1.00 0.00 C ATOM 4 O GLY A 1 -22.185 -39.492 -28.928 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.469 -42.552 -27.678 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.788 -41.635 -28.934 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.813 -42.689 -28.028 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.219 -40.770 -26.447 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.547 -41.286 -26.370 1.00 0.00 H new ATOM 8 N SER A 2 -21.230 -38.813 -27.006 1.00 0.00 N ATOM 9 CA SER A 2 -20.769 -37.544 -27.555 1.00 0.00 C ATOM 10 C SER A 2 -19.458 -37.114 -26.904 1.00 0.00 C ATOM 11 O SER A 2 -19.348 -37.064 -25.679 1.00 0.00 O ATOM 12 CB SER A 2 -21.830 -36.461 -27.353 1.00 0.00 C ATOM 13 OG SER A 2 -22.862 -36.572 -28.318 1.00 0.00 O ATOM 0 H SER A 2 -20.989 -38.961 -26.026 1.00 0.00 H new ATOM 0 HA SER A 2 -20.597 -37.680 -28.623 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.253 -36.544 -26.352 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.367 -35.477 -27.422 1.00 0.00 H new ATOM 0 HG SER A 2 -22.791 -37.436 -28.774 1.00 0.00 H new ATOM 19 N SER A 3 -18.466 -36.806 -27.732 1.00 0.00 N ATOM 20 CA SER A 3 -17.160 -36.384 -27.238 1.00 0.00 C ATOM 21 C SER A 3 -16.412 -35.580 -28.297 1.00 0.00 C ATOM 22 O SER A 3 -16.864 -35.459 -29.435 1.00 0.00 O ATOM 23 CB SER A 3 -16.330 -37.602 -26.826 1.00 0.00 C ATOM 24 OG SER A 3 -16.713 -38.070 -25.545 1.00 0.00 O ATOM 0 H SER A 3 -18.541 -36.841 -28.749 1.00 0.00 H new ATOM 0 HA SER A 3 -17.317 -35.747 -26.367 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.457 -38.398 -27.560 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.272 -37.340 -26.820 1.00 0.00 H new ATOM 0 HG SER A 3 -17.609 -37.737 -25.330 1.00 0.00 H new ATOM 30 N GLY A 4 -15.264 -35.031 -27.913 1.00 0.00 N ATOM 31 CA GLY A 4 -14.471 -34.244 -28.840 1.00 0.00 C ATOM 32 C GLY A 4 -13.593 -33.229 -28.135 1.00 0.00 C ATOM 33 O GLY A 4 -12.373 -33.385 -28.080 1.00 0.00 O ATOM 0 H GLY A 4 -14.869 -35.117 -26.977 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.846 -34.910 -29.435 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.135 -33.727 -29.533 1.00 0.00 H new ATOM 37 N SER A 5 -14.214 -32.185 -27.595 1.00 0.00 N ATOM 38 CA SER A 5 -13.480 -31.138 -26.895 1.00 0.00 C ATOM 39 C SER A 5 -13.763 -31.184 -25.397 1.00 0.00 C ATOM 40 O SER A 5 -14.876 -31.496 -24.973 1.00 0.00 O ATOM 41 CB SER A 5 -13.854 -29.763 -27.454 1.00 0.00 C ATOM 42 OG SER A 5 -15.146 -29.372 -27.023 1.00 0.00 O ATOM 0 H SER A 5 -15.223 -32.042 -27.629 1.00 0.00 H new ATOM 0 HA SER A 5 -12.415 -31.309 -27.051 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.120 -29.024 -27.132 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.823 -29.789 -28.543 1.00 0.00 H new ATOM 0 HG SER A 5 -15.361 -28.490 -27.392 1.00 0.00 H new ATOM 48 N SER A 6 -12.747 -30.872 -24.599 1.00 0.00 N ATOM 49 CA SER A 6 -12.884 -30.882 -23.147 1.00 0.00 C ATOM 50 C SER A 6 -12.292 -29.615 -22.537 1.00 0.00 C ATOM 51 O SER A 6 -12.999 -28.823 -21.915 1.00 0.00 O ATOM 52 CB SER A 6 -12.196 -32.115 -22.557 1.00 0.00 C ATOM 53 OG SER A 6 -12.499 -33.277 -23.310 1.00 0.00 O ATOM 0 H SER A 6 -11.820 -30.609 -24.933 1.00 0.00 H new ATOM 0 HA SER A 6 -13.947 -30.918 -22.907 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.117 -31.960 -22.540 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.515 -32.254 -21.524 1.00 0.00 H new ATOM 0 HG SER A 6 -12.046 -34.051 -22.914 1.00 0.00 H new ATOM 59 N GLY A 7 -10.988 -29.431 -22.720 1.00 0.00 N ATOM 60 CA GLY A 7 -10.321 -28.259 -22.182 1.00 0.00 C ATOM 61 C GLY A 7 -10.694 -27.993 -20.737 1.00 0.00 C ATOM 62 O GLY A 7 -11.654 -27.276 -20.460 1.00 0.00 O ATOM 0 H GLY A 7 -10.381 -30.072 -23.231 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.242 -28.392 -22.257 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.578 -27.389 -22.786 1.00 0.00 H new ATOM 66 N GLU A 8 -9.932 -28.573 -19.815 1.00 0.00 N ATOM 67 CA GLU A 8 -10.190 -28.395 -18.390 1.00 0.00 C ATOM 68 C GLU A 8 -9.870 -26.969 -17.953 1.00 0.00 C ATOM 69 O GLU A 8 -8.823 -26.421 -18.302 1.00 0.00 O ATOM 70 CB GLU A 8 -9.363 -29.389 -17.572 1.00 0.00 C ATOM 71 CG GLU A 8 -10.018 -30.752 -17.428 1.00 0.00 C ATOM 72 CD GLU A 8 -10.857 -31.127 -18.634 1.00 0.00 C ATOM 73 OE1 GLU A 8 -12.002 -30.639 -18.734 1.00 0.00 O ATOM 74 OE2 GLU A 8 -10.369 -31.908 -19.477 1.00 0.00 O ATOM 0 H GLU A 8 -9.132 -29.169 -20.028 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.249 -28.581 -18.212 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.388 -29.512 -18.043 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.187 -28.973 -16.580 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.247 -31.507 -17.278 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.646 -30.757 -16.537 1.00 0.00 H new ATOM 81 N ASP A 9 -10.778 -26.373 -17.189 1.00 0.00 N ATOM 82 CA ASP A 9 -10.594 -25.010 -16.703 1.00 0.00 C ATOM 83 C ASP A 9 -10.375 -24.997 -15.193 1.00 0.00 C ATOM 84 O ASP A 9 -11.291 -25.274 -14.421 1.00 0.00 O ATOM 85 CB ASP A 9 -11.805 -24.149 -17.063 1.00 0.00 C ATOM 86 CG ASP A 9 -11.796 -23.716 -18.516 1.00 0.00 C ATOM 87 OD1 ASP A 9 -10.702 -23.418 -19.039 1.00 0.00 O ATOM 88 OD2 ASP A 9 -12.884 -23.673 -19.129 1.00 0.00 O ATOM 0 H ASP A 9 -11.650 -26.812 -16.892 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.708 -24.595 -17.184 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.718 -24.708 -16.859 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.822 -23.266 -16.424 1.00 0.00 H new ATOM 93 N ASN A 10 -9.153 -24.673 -14.780 1.00 0.00 N ATOM 94 CA ASN A 10 -8.813 -24.625 -13.363 1.00 0.00 C ATOM 95 C ASN A 10 -8.629 -23.184 -12.896 1.00 0.00 C ATOM 96 O ASN A 10 -7.542 -22.619 -13.011 1.00 0.00 O ATOM 97 CB ASN A 10 -7.538 -25.427 -13.096 1.00 0.00 C ATOM 98 CG ASN A 10 -7.629 -26.848 -13.616 1.00 0.00 C ATOM 99 OD1 ASN A 10 -8.428 -27.649 -13.131 1.00 0.00 O ATOM 100 ND2 ASN A 10 -6.807 -27.168 -14.609 1.00 0.00 N ATOM 0 H ASN A 10 -8.383 -24.440 -15.407 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.636 -25.067 -12.802 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -6.692 -24.925 -13.565 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -7.343 -25.447 -12.024 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -6.822 -28.110 -15.000 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -6.161 -26.472 -14.980 1.00 0.00 H new ATOM 107 N ARG A 11 -9.699 -22.597 -12.370 1.00 0.00 N ATOM 108 CA ARG A 11 -9.655 -21.222 -11.886 1.00 0.00 C ATOM 109 C ARG A 11 -8.730 -21.100 -10.679 1.00 0.00 C ATOM 110 O ARG A 11 -8.785 -21.914 -9.757 1.00 0.00 O ATOM 111 CB ARG A 11 -11.061 -20.745 -11.516 1.00 0.00 C ATOM 112 CG ARG A 11 -11.161 -19.241 -11.322 1.00 0.00 C ATOM 113 CD ARG A 11 -10.808 -18.838 -9.898 1.00 0.00 C ATOM 114 NE ARG A 11 -10.869 -17.392 -9.708 1.00 0.00 N ATOM 115 CZ ARG A 11 -10.564 -16.788 -8.565 1.00 0.00 C ATOM 116 NH1 ARG A 11 -10.179 -17.501 -7.516 1.00 0.00 N ATOM 117 NH2 ARG A 11 -10.645 -15.467 -8.469 1.00 0.00 N ATOM 0 H ARG A 11 -10.606 -23.052 -12.268 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.264 -20.593 -12.686 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.757 -21.049 -12.298 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.375 -21.243 -10.599 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.492 -18.738 -12.020 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.173 -18.909 -11.555 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.493 -19.324 -9.203 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.806 -19.193 -9.659 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.162 -16.814 -10.496 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.116 -18.517 -7.585 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.946 -17.034 -6.640 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.942 -14.914 -9.273 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.411 -15.004 -7.591 1.00 0.00 H new ATOM 131 N ARG A 12 -7.881 -20.077 -10.692 1.00 0.00 N ATOM 132 CA ARG A 12 -6.943 -19.849 -9.600 1.00 0.00 C ATOM 133 C ARG A 12 -6.517 -18.385 -9.546 1.00 0.00 C ATOM 134 O ARG A 12 -6.288 -17.742 -10.571 1.00 0.00 O ATOM 135 CB ARG A 12 -5.712 -20.744 -9.761 1.00 0.00 C ATOM 136 CG ARG A 12 -4.749 -20.671 -8.588 1.00 0.00 C ATOM 137 CD ARG A 12 -3.448 -21.398 -8.890 1.00 0.00 C ATOM 138 NE ARG A 12 -2.726 -21.757 -7.672 1.00 0.00 N ATOM 139 CZ ARG A 12 -1.482 -22.222 -7.665 1.00 0.00 C ATOM 140 NH1 ARG A 12 -0.824 -22.383 -8.805 1.00 0.00 N ATOM 141 NH2 ARG A 12 -0.892 -22.527 -6.516 1.00 0.00 N ATOM 0 H ARG A 12 -7.824 -19.393 -11.447 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.445 -20.098 -8.665 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.038 -21.776 -9.889 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.184 -20.461 -10.672 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.538 -19.628 -8.353 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.215 -21.108 -7.705 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.661 -22.300 -9.464 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.816 -20.766 -9.513 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.203 -21.644 -6.778 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.273 -22.149 -9.690 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.131 -22.740 -8.796 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.394 -22.404 -5.637 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.063 -22.884 -6.512 1.00 0.00 H new ATOM 155 N PRO A 13 -6.407 -17.845 -8.323 1.00 0.00 N ATOM 156 CA PRO A 13 -6.008 -16.451 -8.107 1.00 0.00 C ATOM 157 C PRO A 13 -4.543 -16.207 -8.453 1.00 0.00 C ATOM 158 O PRO A 13 -3.788 -17.148 -8.699 1.00 0.00 O ATOM 159 CB PRO A 13 -6.245 -16.243 -6.609 1.00 0.00 C ATOM 160 CG PRO A 13 -6.139 -17.606 -6.016 1.00 0.00 C ATOM 161 CD PRO A 13 -6.664 -18.554 -7.058 1.00 0.00 C ATOM 0 HA PRO A 13 -6.568 -15.764 -8.741 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.505 -15.567 -6.181 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.225 -15.804 -6.420 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -5.106 -17.841 -5.760 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -6.719 -17.677 -5.096 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.149 -19.514 -7.024 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.726 -18.756 -6.919 1.00 0.00 H new ATOM 169 N LEU A 14 -4.148 -14.939 -8.469 1.00 0.00 N ATOM 170 CA LEU A 14 -2.772 -14.571 -8.785 1.00 0.00 C ATOM 171 C LEU A 14 -2.048 -14.054 -7.546 1.00 0.00 C ATOM 172 O LEU A 14 -0.901 -14.417 -7.288 1.00 0.00 O ATOM 173 CB LEU A 14 -2.747 -13.508 -9.885 1.00 0.00 C ATOM 174 CG LEU A 14 -3.894 -13.561 -10.895 1.00 0.00 C ATOM 175 CD1 LEU A 14 -4.075 -14.975 -11.424 1.00 0.00 C ATOM 176 CD2 LEU A 14 -5.183 -13.057 -10.264 1.00 0.00 C ATOM 0 H LEU A 14 -4.760 -14.149 -8.267 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.256 -15.463 -9.139 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.750 -12.525 -9.413 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.806 -13.598 -10.428 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.645 -12.911 -11.734 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.896 -14.993 -12.141 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.157 -15.300 -11.914 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.302 -15.647 -10.596 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.989 -13.102 -10.997 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.437 -13.681 -9.407 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.048 -12.027 -9.935 1.00 0.00 H new ATOM 188 N TRP A 15 -2.728 -13.205 -6.782 1.00 0.00 N ATOM 189 CA TRP A 15 -2.150 -12.640 -5.568 1.00 0.00 C ATOM 190 C TRP A 15 -2.453 -13.519 -4.360 1.00 0.00 C ATOM 191 O TRP A 15 -3.054 -14.585 -4.493 1.00 0.00 O ATOM 192 CB TRP A 15 -2.688 -11.227 -5.334 1.00 0.00 C ATOM 193 CG TRP A 15 -2.589 -10.346 -6.542 1.00 0.00 C ATOM 194 CD1 TRP A 15 -3.480 -10.269 -7.575 1.00 0.00 C ATOM 195 CD2 TRP A 15 -1.541 -9.419 -6.844 1.00 0.00 C ATOM 196 NE1 TRP A 15 -3.048 -9.349 -8.500 1.00 0.00 N ATOM 197 CE2 TRP A 15 -1.862 -8.813 -8.075 1.00 0.00 C ATOM 198 CE3 TRP A 15 -0.364 -9.039 -6.193 1.00 0.00 C ATOM 199 CZ2 TRP A 15 -1.046 -7.852 -8.666 1.00 0.00 C ATOM 200 CZ3 TRP A 15 0.444 -8.085 -6.781 1.00 0.00 C ATOM 201 CH2 TRP A 15 0.100 -7.500 -8.007 1.00 0.00 C ATOM 0 H TRP A 15 -3.679 -12.894 -6.982 1.00 0.00 H new ATOM 0 HA TRP A 15 -1.069 -12.594 -5.697 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -3.731 -11.290 -5.024 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -2.138 -10.768 -4.512 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.390 -10.846 -7.653 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -3.533 -9.105 -9.364 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -0.091 -9.483 -5.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -1.309 -7.400 -9.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 1.356 -7.785 -6.287 1.00 0.00 H new ATOM 0 HH2 TRP A 15 0.753 -6.756 -8.440 1.00 0.00 H new ATOM 212 N GLU A 16 -2.034 -13.066 -3.183 1.00 0.00 N ATOM 213 CA GLU A 16 -2.261 -13.814 -1.952 1.00 0.00 C ATOM 214 C GLU A 16 -3.601 -13.438 -1.327 1.00 0.00 C ATOM 215 O GLU A 16 -4.048 -12.293 -1.396 1.00 0.00 O ATOM 216 CB GLU A 16 -1.130 -13.553 -0.955 1.00 0.00 C ATOM 217 CG GLU A 16 0.102 -14.410 -1.195 1.00 0.00 C ATOM 218 CD GLU A 16 0.930 -14.605 0.061 1.00 0.00 C ATOM 219 OE1 GLU A 16 1.507 -13.613 0.552 1.00 0.00 O ATOM 220 OE2 GLU A 16 0.999 -15.751 0.552 1.00 0.00 O ATOM 0 H GLU A 16 -1.536 -12.185 -3.056 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.280 -14.875 -2.200 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.847 -12.502 -1.007 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.498 -13.735 0.055 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.206 -15.383 -1.578 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.719 -13.946 -1.964 1.00 0.00 H new ATOM 227 N PRO A 17 -4.260 -14.426 -0.703 1.00 0.00 N ATOM 228 CA PRO A 17 -5.558 -14.225 -0.053 1.00 0.00 C ATOM 229 C PRO A 17 -5.451 -13.369 1.204 1.00 0.00 C ATOM 230 O PRO A 17 -6.426 -12.751 1.629 1.00 0.00 O ATOM 231 CB PRO A 17 -6.001 -15.646 0.303 1.00 0.00 C ATOM 232 CG PRO A 17 -4.733 -16.420 0.418 1.00 0.00 C ATOM 233 CD PRO A 17 -3.787 -15.815 -0.582 1.00 0.00 C ATOM 0 HA PRO A 17 -6.259 -13.695 -0.698 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.562 -15.664 1.238 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.651 -16.063 -0.467 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.327 -16.356 1.428 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -4.900 -17.476 0.208 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.754 -15.859 -0.236 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.825 -16.337 -1.538 1.00 0.00 H new ATOM 241 N GLU A 18 -4.260 -13.338 1.794 1.00 0.00 N ATOM 242 CA GLU A 18 -4.028 -12.558 3.004 1.00 0.00 C ATOM 243 C GLU A 18 -3.092 -11.385 2.723 1.00 0.00 C ATOM 244 O GLU A 18 -2.205 -11.082 3.520 1.00 0.00 O ATOM 245 CB GLU A 18 -3.437 -13.443 4.103 1.00 0.00 C ATOM 246 CG GLU A 18 -2.002 -13.865 3.839 1.00 0.00 C ATOM 247 CD GLU A 18 -1.641 -15.167 4.528 1.00 0.00 C ATOM 248 OE1 GLU A 18 -1.973 -16.240 3.982 1.00 0.00 O ATOM 249 OE2 GLU A 18 -1.024 -15.113 5.613 1.00 0.00 O ATOM 0 H GLU A 18 -3.442 -13.843 1.454 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.987 -12.164 3.341 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.481 -12.908 5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.055 -14.334 4.211 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.850 -13.972 2.765 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.328 -13.079 4.179 1.00 0.00 H new ATOM 256 N GLU A 19 -3.298 -10.731 1.584 1.00 0.00 N ATOM 257 CA GLU A 19 -2.472 -9.593 1.197 1.00 0.00 C ATOM 258 C GLU A 19 -3.333 -8.454 0.659 1.00 0.00 C ATOM 259 O GLU A 19 -4.108 -8.636 -0.281 1.00 0.00 O ATOM 260 CB GLU A 19 -1.446 -10.014 0.143 1.00 0.00 C ATOM 261 CG GLU A 19 -0.230 -10.716 0.722 1.00 0.00 C ATOM 262 CD GLU A 19 0.640 -9.789 1.548 1.00 0.00 C ATOM 263 OE1 GLU A 19 1.548 -9.155 0.971 1.00 0.00 O ATOM 264 OE2 GLU A 19 0.413 -9.698 2.773 1.00 0.00 O ATOM 0 H GLU A 19 -4.029 -10.969 0.914 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.946 -9.240 2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.928 -10.675 -0.577 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.118 -9.131 -0.405 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.558 -11.550 1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.363 -11.137 -0.090 1.00 0.00 H new ATOM 271 N THR A 20 -3.193 -7.278 1.263 1.00 0.00 N ATOM 272 CA THR A 20 -3.958 -6.109 0.847 1.00 0.00 C ATOM 273 C THR A 20 -3.656 -5.741 -0.601 1.00 0.00 C ATOM 274 O THR A 20 -2.539 -5.342 -0.930 1.00 0.00 O ATOM 275 CB THR A 20 -3.662 -4.895 1.747 1.00 0.00 C ATOM 276 OG1 THR A 20 -3.788 -5.263 3.125 1.00 0.00 O ATOM 277 CG2 THR A 20 -4.609 -3.746 1.434 1.00 0.00 C ATOM 0 H THR A 20 -2.557 -7.110 2.042 1.00 0.00 H new ATOM 0 HA THR A 20 -5.012 -6.371 0.939 1.00 0.00 H new ATOM 0 HB THR A 20 -2.641 -4.567 1.552 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.596 -4.486 3.690 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.381 -2.900 2.082 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.488 -3.448 0.392 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.637 -4.066 1.603 1.00 0.00 H new ATOM 285 N VAL A 21 -4.658 -5.876 -1.463 1.00 0.00 N ATOM 286 CA VAL A 21 -4.500 -5.556 -2.877 1.00 0.00 C ATOM 287 C VAL A 21 -5.457 -4.447 -3.299 1.00 0.00 C ATOM 288 O VAL A 21 -6.606 -4.402 -2.859 1.00 0.00 O ATOM 289 CB VAL A 21 -4.741 -6.792 -3.763 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.833 -6.390 -5.227 1.00 0.00 C ATOM 291 CG2 VAL A 21 -3.640 -7.821 -3.553 1.00 0.00 C ATOM 0 H VAL A 21 -5.589 -6.205 -1.207 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.473 -5.217 -3.012 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.690 -7.244 -3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.003 -7.277 -5.838 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.660 -5.692 -5.361 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.902 -5.913 -5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.826 -8.688 -4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.677 -7.382 -3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.627 -8.132 -2.508 1.00 0.00 H new ATOM 301 N VAL A 22 -4.975 -3.552 -4.156 1.00 0.00 N ATOM 302 CA VAL A 22 -5.788 -2.443 -4.640 1.00 0.00 C ATOM 303 C VAL A 22 -5.818 -2.408 -6.164 1.00 0.00 C ATOM 304 O VAL A 22 -4.937 -2.958 -6.825 1.00 0.00 O ATOM 305 CB VAL A 22 -5.263 -1.092 -4.117 1.00 0.00 C ATOM 306 CG1 VAL A 22 -5.769 -0.833 -2.706 1.00 0.00 C ATOM 307 CG2 VAL A 22 -3.743 -1.058 -4.162 1.00 0.00 C ATOM 0 H VAL A 22 -4.026 -3.574 -4.529 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.798 -2.603 -4.263 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.640 -0.300 -4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.388 0.125 -2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.859 -0.812 -2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.423 -1.627 -2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.389 -0.097 -3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.343 -1.858 -3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.406 -1.195 -5.190 1.00 0.00 H new ATOM 317 N ILE A 23 -6.837 -1.757 -6.715 1.00 0.00 N ATOM 318 CA ILE A 23 -6.981 -1.648 -8.162 1.00 0.00 C ATOM 319 C ILE A 23 -7.105 -0.191 -8.594 1.00 0.00 C ATOM 320 O ILE A 23 -7.753 0.612 -7.925 1.00 0.00 O ATOM 321 CB ILE A 23 -8.210 -2.428 -8.665 1.00 0.00 C ATOM 322 CG1 ILE A 23 -8.264 -3.812 -8.015 1.00 0.00 C ATOM 323 CG2 ILE A 23 -8.175 -2.551 -10.181 1.00 0.00 C ATOM 324 CD1 ILE A 23 -9.644 -4.433 -8.031 1.00 0.00 C ATOM 0 H ILE A 23 -7.575 -1.297 -6.182 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.082 -2.079 -8.602 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.109 -1.880 -8.385 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.570 -4.475 -8.532 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.921 -3.734 -6.983 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.050 -3.105 -10.521 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.179 -1.556 -10.627 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.271 -3.080 -10.482 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.608 -5.412 -7.554 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.338 -3.791 -7.489 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.981 -4.544 -9.062 1.00 0.00 H new ATOM 336 N ALA A 24 -6.481 0.141 -9.720 1.00 0.00 N ATOM 337 CA ALA A 24 -6.525 1.500 -10.244 1.00 0.00 C ATOM 338 C ALA A 24 -7.764 1.717 -11.106 1.00 0.00 C ATOM 339 O ALA A 24 -8.029 0.952 -12.034 1.00 0.00 O ATOM 340 CB ALA A 24 -5.265 1.798 -11.044 1.00 0.00 C ATOM 0 H ALA A 24 -5.940 -0.512 -10.286 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.578 2.187 -9.399 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.311 2.816 -11.430 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.392 1.693 -10.400 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.188 1.098 -11.876 1.00 0.00 H new ATOM 346 N LEU A 25 -8.521 2.762 -10.793 1.00 0.00 N ATOM 347 CA LEU A 25 -9.734 3.079 -11.539 1.00 0.00 C ATOM 348 C LEU A 25 -9.396 3.669 -12.904 1.00 0.00 C ATOM 349 O LEU A 25 -10.069 3.390 -13.896 1.00 0.00 O ATOM 350 CB LEU A 25 -10.602 4.059 -10.747 1.00 0.00 C ATOM 351 CG LEU A 25 -11.048 3.593 -9.361 1.00 0.00 C ATOM 352 CD1 LEU A 25 -11.430 4.783 -8.494 1.00 0.00 C ATOM 353 CD2 LEU A 25 -12.211 2.618 -9.475 1.00 0.00 C ATOM 0 H LEU A 25 -8.317 3.405 -10.028 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.289 2.153 -11.692 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.050 4.992 -10.634 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.491 4.283 -11.336 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.213 3.078 -8.886 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.745 4.431 -7.511 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.570 5.444 -8.385 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.249 5.327 -8.964 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.515 2.297 -8.479 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.049 3.108 -9.970 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.902 1.750 -10.058 1.00 0.00 H new ATOM 365 N TYR A 26 -8.348 4.485 -12.946 1.00 0.00 N ATOM 366 CA TYR A 26 -7.920 5.115 -14.190 1.00 0.00 C ATOM 367 C TYR A 26 -6.429 4.897 -14.426 1.00 0.00 C ATOM 368 O TYR A 26 -5.630 4.921 -13.489 1.00 0.00 O ATOM 369 CB TYR A 26 -8.229 6.613 -14.160 1.00 0.00 C ATOM 370 CG TYR A 26 -9.558 6.944 -13.518 1.00 0.00 C ATOM 371 CD1 TYR A 26 -10.730 6.948 -14.264 1.00 0.00 C ATOM 372 CD2 TYR A 26 -9.641 7.254 -12.166 1.00 0.00 C ATOM 373 CE1 TYR A 26 -11.946 7.251 -13.682 1.00 0.00 C ATOM 374 CE2 TYR A 26 -10.852 7.557 -11.576 1.00 0.00 C ATOM 375 CZ TYR A 26 -12.002 7.554 -12.338 1.00 0.00 C ATOM 376 OH TYR A 26 -13.211 7.856 -11.754 1.00 0.00 O ATOM 0 H TYR A 26 -7.780 4.725 -12.134 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.471 4.653 -15.010 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.435 7.129 -13.619 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.222 6.998 -15.180 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.690 6.710 -15.317 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.743 7.258 -11.566 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.848 7.251 -14.277 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -10.899 7.795 -10.524 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.076 8.044 -10.802 1.00 0.00 H new ATOM 386 N ASP A 27 -6.061 4.684 -15.684 1.00 0.00 N ATOM 387 CA ASP A 27 -4.666 4.463 -16.046 1.00 0.00 C ATOM 388 C ASP A 27 -3.818 5.689 -15.718 1.00 0.00 C ATOM 389 O ASP A 27 -3.688 6.602 -16.533 1.00 0.00 O ATOM 390 CB ASP A 27 -4.549 4.131 -17.535 1.00 0.00 C ATOM 391 CG ASP A 27 -5.357 5.074 -18.403 1.00 0.00 C ATOM 392 OD1 ASP A 27 -6.500 5.400 -18.021 1.00 0.00 O ATOM 393 OD2 ASP A 27 -4.847 5.486 -19.467 1.00 0.00 O ATOM 0 H ASP A 27 -6.710 4.660 -16.471 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.295 3.620 -15.463 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.501 4.175 -17.833 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.886 3.108 -17.704 1.00 0.00 H new ATOM 398 N TYR A 28 -3.245 5.702 -14.520 1.00 0.00 N ATOM 399 CA TYR A 28 -2.414 6.816 -14.082 1.00 0.00 C ATOM 400 C TYR A 28 -1.036 6.757 -14.734 1.00 0.00 C ATOM 401 O TYR A 28 -0.553 5.682 -15.091 1.00 0.00 O ATOM 402 CB TYR A 28 -2.271 6.806 -12.559 1.00 0.00 C ATOM 403 CG TYR A 28 -1.592 8.039 -12.006 1.00 0.00 C ATOM 404 CD1 TYR A 28 -2.258 9.257 -11.950 1.00 0.00 C ATOM 405 CD2 TYR A 28 -0.284 7.986 -11.540 1.00 0.00 C ATOM 406 CE1 TYR A 28 -1.642 10.386 -11.446 1.00 0.00 C ATOM 407 CE2 TYR A 28 0.340 9.109 -11.034 1.00 0.00 C ATOM 408 CZ TYR A 28 -0.343 10.307 -10.989 1.00 0.00 C ATOM 409 OH TYR A 28 0.275 11.429 -10.486 1.00 0.00 O ATOM 0 H TYR A 28 -3.341 4.953 -13.835 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.902 7.742 -14.388 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.260 6.714 -12.110 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.703 5.925 -12.262 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.275 9.322 -12.307 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.254 7.050 -11.574 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -2.174 11.325 -11.410 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.357 9.050 -10.675 1.00 0.00 H new ATOM 0 HH TYR A 28 1.187 11.203 -10.206 1.00 0.00 H new ATOM 419 N GLN A 29 -0.409 7.919 -14.884 1.00 0.00 N ATOM 420 CA GLN A 29 0.914 7.999 -15.493 1.00 0.00 C ATOM 421 C GLN A 29 1.800 8.988 -14.742 1.00 0.00 C ATOM 422 O GLN A 29 1.308 9.928 -14.116 1.00 0.00 O ATOM 423 CB GLN A 29 0.799 8.413 -16.961 1.00 0.00 C ATOM 424 CG GLN A 29 0.169 9.782 -17.160 1.00 0.00 C ATOM 425 CD GLN A 29 -0.384 9.972 -18.558 1.00 0.00 C ATOM 426 OE1 GLN A 29 -0.668 9.004 -19.263 1.00 0.00 O ATOM 427 NE2 GLN A 29 -0.539 11.226 -18.968 1.00 0.00 N ATOM 0 H GLN A 29 -0.795 8.817 -14.593 1.00 0.00 H new ATOM 0 HA GLN A 29 1.373 7.012 -15.436 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.793 8.411 -17.409 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.207 7.669 -17.494 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.633 9.917 -16.435 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.913 10.553 -16.960 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.291 11.999 -18.350 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.906 11.416 -19.900 1.00 0.00 H new ATOM 436 N THR A 30 3.109 8.771 -14.807 1.00 0.00 N ATOM 437 CA THR A 30 4.064 9.641 -14.133 1.00 0.00 C ATOM 438 C THR A 30 5.496 9.291 -14.519 1.00 0.00 C ATOM 439 O THR A 30 5.892 8.127 -14.480 1.00 0.00 O ATOM 440 CB THR A 30 3.920 9.552 -12.601 1.00 0.00 C ATOM 441 OG1 THR A 30 4.854 10.435 -11.970 1.00 0.00 O ATOM 442 CG2 THR A 30 4.153 8.129 -12.118 1.00 0.00 C ATOM 0 H THR A 30 3.533 7.998 -15.321 1.00 0.00 H new ATOM 0 HA THR A 30 3.844 10.659 -14.453 1.00 0.00 H new ATOM 0 HB THR A 30 2.905 9.847 -12.335 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.372 11.184 -11.562 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.046 8.091 -11.034 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.422 7.464 -12.578 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.158 7.811 -12.395 1.00 0.00 H new ATOM 450 N ASN A 31 6.269 10.307 -14.890 1.00 0.00 N ATOM 451 CA ASN A 31 7.659 10.105 -15.283 1.00 0.00 C ATOM 452 C ASN A 31 8.602 10.409 -14.123 1.00 0.00 C ATOM 453 O ASN A 31 9.815 10.510 -14.306 1.00 0.00 O ATOM 454 CB ASN A 31 8.005 10.991 -16.482 1.00 0.00 C ATOM 455 CG ASN A 31 7.275 12.320 -16.449 1.00 0.00 C ATOM 456 OD1 ASN A 31 7.890 13.376 -16.301 1.00 0.00 O ATOM 457 ND2 ASN A 31 5.955 12.273 -16.586 1.00 0.00 N ATOM 0 H ASN A 31 5.957 11.277 -14.927 1.00 0.00 H new ATOM 0 HA ASN A 31 7.783 9.059 -15.564 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.080 11.170 -16.499 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.755 10.465 -17.403 1.00 0.00 H new ATOM 0 HD21 ASN A 31 5.410 13.135 -16.571 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.486 11.375 -16.706 1.00 0.00 H new ATOM 464 N ASP A 32 8.036 10.552 -12.930 1.00 0.00 N ATOM 465 CA ASP A 32 8.826 10.843 -11.739 1.00 0.00 C ATOM 466 C ASP A 32 9.061 9.576 -10.921 1.00 0.00 C ATOM 467 O ASP A 32 8.200 8.701 -10.825 1.00 0.00 O ATOM 468 CB ASP A 32 8.124 11.896 -10.880 1.00 0.00 C ATOM 469 CG ASP A 32 7.296 12.859 -11.707 1.00 0.00 C ATOM 470 OD1 ASP A 32 7.739 13.220 -12.817 1.00 0.00 O ATOM 471 OD2 ASP A 32 6.205 13.253 -11.244 1.00 0.00 O ATOM 0 H ASP A 32 7.033 10.471 -12.762 1.00 0.00 H new ATOM 0 HA ASP A 32 9.792 11.232 -12.060 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.480 11.399 -10.154 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.869 12.455 -10.314 1.00 0.00 H new ATOM 476 N PRO A 33 10.255 9.474 -10.319 1.00 0.00 N ATOM 477 CA PRO A 33 10.632 8.319 -9.499 1.00 0.00 C ATOM 478 C PRO A 33 9.855 8.259 -8.188 1.00 0.00 C ATOM 479 O PRO A 33 9.532 7.178 -7.697 1.00 0.00 O ATOM 480 CB PRO A 33 12.121 8.546 -9.229 1.00 0.00 C ATOM 481 CG PRO A 33 12.306 10.020 -9.344 1.00 0.00 C ATOM 482 CD PRO A 33 11.329 10.479 -10.390 1.00 0.00 C ATOM 0 HA PRO A 33 10.415 7.376 -10.000 1.00 0.00 H new ATOM 0 HB2 PRO A 33 12.403 8.188 -8.239 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.740 8.012 -9.950 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.117 10.513 -8.390 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.329 10.264 -9.631 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.956 11.481 -10.179 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.785 10.510 -11.380 1.00 0.00 H new ATOM 490 N GLN A 34 9.558 9.428 -7.628 1.00 0.00 N ATOM 491 CA GLN A 34 8.819 9.507 -6.374 1.00 0.00 C ATOM 492 C GLN A 34 7.405 8.962 -6.540 1.00 0.00 C ATOM 493 O GLN A 34 6.787 8.512 -5.576 1.00 0.00 O ATOM 494 CB GLN A 34 8.766 10.954 -5.880 1.00 0.00 C ATOM 495 CG GLN A 34 8.221 11.929 -6.911 1.00 0.00 C ATOM 496 CD GLN A 34 7.770 13.239 -6.294 1.00 0.00 C ATOM 497 OE1 GLN A 34 7.357 13.282 -5.134 1.00 0.00 O ATOM 498 NE2 GLN A 34 7.845 14.315 -7.068 1.00 0.00 N ATOM 0 H GLN A 34 9.818 10.332 -8.023 1.00 0.00 H new ATOM 0 HA GLN A 34 9.339 8.897 -5.636 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.146 11.001 -4.984 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.769 11.267 -5.590 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.989 12.129 -7.658 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.381 11.469 -7.432 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.194 14.233 -8.023 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.554 15.224 -6.708 1.00 0.00 H new ATOM 507 N GLU A 35 6.899 9.006 -7.769 1.00 0.00 N ATOM 508 CA GLU A 35 5.556 8.517 -8.059 1.00 0.00 C ATOM 509 C GLU A 35 5.605 7.331 -9.018 1.00 0.00 C ATOM 510 O GLU A 35 6.608 7.108 -9.697 1.00 0.00 O ATOM 511 CB GLU A 35 4.701 9.636 -8.657 1.00 0.00 C ATOM 512 CG GLU A 35 4.458 10.793 -7.703 1.00 0.00 C ATOM 513 CD GLU A 35 3.888 12.014 -8.399 1.00 0.00 C ATOM 514 OE1 GLU A 35 4.396 12.367 -9.484 1.00 0.00 O ATOM 515 OE2 GLU A 35 2.937 12.616 -7.859 1.00 0.00 O ATOM 0 H GLU A 35 7.398 9.375 -8.579 1.00 0.00 H new ATOM 0 HA GLU A 35 5.106 8.187 -7.123 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.189 10.014 -9.556 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.741 9.223 -8.965 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.772 10.474 -6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.396 11.061 -7.217 1.00 0.00 H new ATOM 522 N LEU A 36 4.515 6.573 -9.068 1.00 0.00 N ATOM 523 CA LEU A 36 4.433 5.408 -9.942 1.00 0.00 C ATOM 524 C LEU A 36 3.249 5.528 -10.897 1.00 0.00 C ATOM 525 O LEU A 36 2.240 6.155 -10.576 1.00 0.00 O ATOM 526 CB LEU A 36 4.305 4.130 -9.112 1.00 0.00 C ATOM 527 CG LEU A 36 3.998 2.851 -9.892 1.00 0.00 C ATOM 528 CD1 LEU A 36 5.283 2.212 -10.396 1.00 0.00 C ATOM 529 CD2 LEU A 36 3.218 1.873 -9.026 1.00 0.00 C ATOM 0 H LEU A 36 3.676 6.744 -8.514 1.00 0.00 H new ATOM 0 HA LEU A 36 5.349 5.361 -10.531 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.235 3.983 -8.563 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.518 4.278 -8.372 1.00 0.00 H new ATOM 0 HG LEU A 36 3.384 3.112 -10.754 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.045 1.303 -10.949 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.803 2.910 -11.052 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.923 1.964 -9.549 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.008 0.969 -9.597 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.807 1.617 -8.145 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.279 2.331 -8.715 1.00 0.00 H new ATOM 541 N ALA A 37 3.380 4.920 -12.072 1.00 0.00 N ATOM 542 CA ALA A 37 2.320 4.955 -13.072 1.00 0.00 C ATOM 543 C ALA A 37 1.435 3.717 -12.977 1.00 0.00 C ATOM 544 O ALA A 37 1.859 2.611 -13.317 1.00 0.00 O ATOM 545 CB ALA A 37 2.914 5.076 -14.467 1.00 0.00 C ATOM 0 H ALA A 37 4.209 4.398 -12.354 1.00 0.00 H new ATOM 0 HA ALA A 37 1.699 5.829 -12.877 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.111 5.101 -15.204 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.498 5.994 -14.535 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.560 4.220 -14.663 1.00 0.00 H new ATOM 551 N LEU A 38 0.205 3.908 -12.514 1.00 0.00 N ATOM 552 CA LEU A 38 -0.740 2.806 -12.374 1.00 0.00 C ATOM 553 C LEU A 38 -1.343 2.430 -13.724 1.00 0.00 C ATOM 554 O LEU A 38 -1.276 3.202 -14.681 1.00 0.00 O ATOM 555 CB LEU A 38 -1.852 3.182 -11.393 1.00 0.00 C ATOM 556 CG LEU A 38 -1.429 3.362 -9.935 1.00 0.00 C ATOM 557 CD1 LEU A 38 -2.543 4.015 -9.132 1.00 0.00 C ATOM 558 CD2 LEU A 38 -1.043 2.023 -9.323 1.00 0.00 C ATOM 0 H LEU A 38 -0.162 4.816 -12.229 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.198 1.943 -11.986 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.311 4.110 -11.734 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.621 2.411 -11.434 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.558 4.017 -9.908 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.223 4.135 -8.097 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.773 4.992 -9.556 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.433 3.386 -9.166 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.745 2.170 -8.285 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.896 1.345 -9.363 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.212 1.593 -9.882 1.00 0.00 H new ATOM 570 N ARG A 39 -1.933 1.241 -13.793 1.00 0.00 N ATOM 571 CA ARG A 39 -2.548 0.764 -15.025 1.00 0.00 C ATOM 572 C ARG A 39 -4.047 0.551 -14.837 1.00 0.00 C ATOM 573 O ARG A 39 -4.486 0.025 -13.814 1.00 0.00 O ATOM 574 CB ARG A 39 -1.890 -0.541 -15.477 1.00 0.00 C ATOM 575 CG ARG A 39 -2.257 -0.950 -16.894 1.00 0.00 C ATOM 576 CD ARG A 39 -1.447 -0.178 -17.924 1.00 0.00 C ATOM 577 NE ARG A 39 -1.665 -0.678 -19.279 1.00 0.00 N ATOM 578 CZ ARG A 39 -1.251 -0.046 -20.371 1.00 0.00 C ATOM 579 NH1 ARG A 39 -0.600 1.104 -20.269 1.00 0.00 N ATOM 580 NH2 ARG A 39 -1.487 -0.565 -21.569 1.00 0.00 N ATOM 0 H ARG A 39 -1.998 0.591 -13.010 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.399 1.523 -15.793 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.807 -0.435 -15.407 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.177 -1.339 -14.792 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.085 -2.019 -17.021 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.320 -0.776 -17.060 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.716 0.877 -17.880 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.387 -0.248 -17.678 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.163 -1.561 -19.393 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.416 1.506 -19.350 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.283 1.587 -21.110 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.987 -1.450 -21.652 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.169 -0.079 -22.407 1.00 0.00 H new ATOM 594 N ARG A 40 -4.827 0.963 -15.831 1.00 0.00 N ATOM 595 CA ARG A 40 -6.277 0.819 -15.774 1.00 0.00 C ATOM 596 C ARG A 40 -6.674 -0.651 -15.678 1.00 0.00 C ATOM 597 O ARG A 40 -6.239 -1.476 -16.481 1.00 0.00 O ATOM 598 CB ARG A 40 -6.923 1.453 -17.008 1.00 0.00 C ATOM 599 CG ARG A 40 -8.435 1.308 -17.046 1.00 0.00 C ATOM 600 CD ARG A 40 -9.042 2.104 -18.191 1.00 0.00 C ATOM 601 NE ARG A 40 -9.289 3.495 -17.821 1.00 0.00 N ATOM 602 CZ ARG A 40 -9.914 4.364 -18.606 1.00 0.00 C ATOM 603 NH1 ARG A 40 -10.355 3.988 -19.799 1.00 0.00 N ATOM 604 NH2 ARG A 40 -10.101 5.613 -18.198 1.00 0.00 N ATOM 0 H ARG A 40 -4.479 1.399 -16.685 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.633 1.333 -14.881 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.667 2.512 -17.038 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.500 0.998 -17.903 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.698 0.256 -17.153 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.858 1.648 -16.101 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.372 2.071 -19.050 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.979 1.639 -18.499 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.963 3.816 -16.909 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.214 3.029 -20.116 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.835 4.658 -20.400 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.764 5.906 -17.281 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.581 6.280 -18.802 1.00 0.00 H new ATOM 618 N ASN A 41 -7.503 -0.972 -14.689 1.00 0.00 N ATOM 619 CA ASN A 41 -7.958 -2.343 -14.487 1.00 0.00 C ATOM 620 C ASN A 41 -6.786 -3.261 -14.153 1.00 0.00 C ATOM 621 O ASN A 41 -6.586 -4.288 -14.800 1.00 0.00 O ATOM 622 CB ASN A 41 -8.679 -2.852 -15.737 1.00 0.00 C ATOM 623 CG ASN A 41 -10.161 -2.535 -15.719 1.00 0.00 C ATOM 624 OD1 ASN A 41 -10.915 -3.084 -14.914 1.00 0.00 O ATOM 625 ND2 ASN A 41 -10.587 -1.646 -16.608 1.00 0.00 N ATOM 0 H ASN A 41 -7.873 -0.301 -14.015 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.653 -2.349 -13.647 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.225 -2.405 -16.622 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.542 -3.930 -15.818 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.574 -1.393 -16.643 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.927 -1.216 -17.256 1.00 0.00 H new ATOM 632 N GLU A 42 -6.016 -2.882 -13.137 1.00 0.00 N ATOM 633 CA GLU A 42 -4.864 -3.672 -12.717 1.00 0.00 C ATOM 634 C GLU A 42 -4.713 -3.648 -11.199 1.00 0.00 C ATOM 635 O GLU A 42 -4.785 -2.590 -10.575 1.00 0.00 O ATOM 636 CB GLU A 42 -3.588 -3.144 -13.376 1.00 0.00 C ATOM 637 CG GLU A 42 -3.342 -3.709 -14.765 1.00 0.00 C ATOM 638 CD GLU A 42 -3.264 -5.224 -14.773 1.00 0.00 C ATOM 639 OE1 GLU A 42 -2.920 -5.805 -13.722 1.00 0.00 O ATOM 640 OE2 GLU A 42 -3.546 -5.827 -15.829 1.00 0.00 O ATOM 0 H GLU A 42 -6.169 -2.034 -12.591 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.027 -4.702 -13.033 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.645 -2.057 -13.440 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.735 -3.382 -12.740 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.142 -3.387 -15.431 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.413 -3.299 -15.161 1.00 0.00 H new ATOM 647 N GLU A 43 -4.503 -4.823 -10.612 1.00 0.00 N ATOM 648 CA GLU A 43 -4.343 -4.936 -9.168 1.00 0.00 C ATOM 649 C GLU A 43 -2.924 -4.566 -8.746 1.00 0.00 C ATOM 650 O GLU A 43 -2.011 -4.524 -9.572 1.00 0.00 O ATOM 651 CB GLU A 43 -4.669 -6.358 -8.706 1.00 0.00 C ATOM 652 CG GLU A 43 -5.983 -6.890 -9.255 1.00 0.00 C ATOM 653 CD GLU A 43 -5.824 -7.556 -10.607 1.00 0.00 C ATOM 654 OE1 GLU A 43 -4.693 -7.972 -10.935 1.00 0.00 O ATOM 655 OE2 GLU A 43 -6.831 -7.663 -11.337 1.00 0.00 O ATOM 0 H GLU A 43 -4.440 -5.708 -11.114 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.037 -4.240 -8.697 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.862 -7.024 -9.010 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.705 -6.378 -7.617 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.404 -7.606 -8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.696 -6.070 -9.340 1.00 0.00 H new ATOM 662 N TYR A 44 -2.746 -4.299 -7.458 1.00 0.00 N ATOM 663 CA TYR A 44 -1.440 -3.929 -6.926 1.00 0.00 C ATOM 664 C TYR A 44 -1.318 -4.320 -5.457 1.00 0.00 C ATOM 665 O TYR A 44 -2.310 -4.348 -4.726 1.00 0.00 O ATOM 666 CB TYR A 44 -1.207 -2.426 -7.086 1.00 0.00 C ATOM 667 CG TYR A 44 -0.935 -2.003 -8.513 1.00 0.00 C ATOM 668 CD1 TYR A 44 -1.958 -1.959 -9.452 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.345 -1.650 -8.921 1.00 0.00 C ATOM 670 CE1 TYR A 44 -1.714 -1.575 -10.756 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.598 -1.263 -10.223 1.00 0.00 C ATOM 672 CZ TYR A 44 -0.435 -1.227 -11.137 1.00 0.00 C ATOM 673 OH TYR A 44 -0.187 -0.843 -12.435 1.00 0.00 O ATOM 0 H TYR A 44 -3.491 -4.332 -6.762 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.681 -4.470 -7.491 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.082 -1.890 -6.718 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.365 -2.129 -6.461 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.961 -2.230 -9.157 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.156 -1.679 -8.208 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.521 -1.547 -11.474 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.599 -0.990 -10.524 1.00 0.00 H new ATOM 0 HH TYR A 44 0.677 -1.205 -12.724 1.00 0.00 H new ATOM 683 N CYS A 45 -0.097 -4.621 -5.030 1.00 0.00 N ATOM 684 CA CYS A 45 0.156 -5.011 -3.648 1.00 0.00 C ATOM 685 C CYS A 45 0.635 -3.819 -2.826 1.00 0.00 C ATOM 686 O CYS A 45 1.798 -3.422 -2.907 1.00 0.00 O ATOM 687 CB CYS A 45 1.194 -6.133 -3.594 1.00 0.00 C ATOM 688 SG CYS A 45 2.557 -5.934 -4.765 1.00 0.00 S ATOM 0 H CYS A 45 0.734 -4.602 -5.621 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.780 -5.371 -3.221 1.00 0.00 H new ATOM 0 HB2 CYS A 45 1.601 -6.188 -2.585 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.697 -7.083 -3.790 1.00 0.00 H new ATOM 0 HG CYS A 45 2.449 -4.786 -5.366 1.00 0.00 H new ATOM 694 N LEU A 46 -0.269 -3.251 -2.035 1.00 0.00 N ATOM 695 CA LEU A 46 0.060 -2.102 -1.199 1.00 0.00 C ATOM 696 C LEU A 46 1.254 -2.407 -0.301 1.00 0.00 C ATOM 697 O LEU A 46 1.302 -3.449 0.356 1.00 0.00 O ATOM 698 CB LEU A 46 -1.146 -1.706 -0.345 1.00 0.00 C ATOM 699 CG LEU A 46 -0.907 -0.597 0.680 1.00 0.00 C ATOM 700 CD1 LEU A 46 -0.874 0.762 -0.002 1.00 0.00 C ATOM 701 CD2 LEU A 46 -1.980 -0.628 1.759 1.00 0.00 C ATOM 0 H LEU A 46 -1.235 -3.568 -1.955 1.00 0.00 H new ATOM 0 HA LEU A 46 0.323 -1.271 -1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.950 -1.391 -1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.498 -2.592 0.183 1.00 0.00 H new ATOM 0 HG LEU A 46 0.060 -0.767 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.703 1.539 0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.069 0.781 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.826 0.942 -0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.794 0.168 2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.959 -0.483 1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.956 -1.591 2.268 1.00 0.00 H new ATOM 713 N LEU A 47 2.217 -1.492 -0.274 1.00 0.00 N ATOM 714 CA LEU A 47 3.412 -1.662 0.546 1.00 0.00 C ATOM 715 C LEU A 47 3.258 -0.950 1.886 1.00 0.00 C ATOM 716 O LEU A 47 3.458 -1.547 2.944 1.00 0.00 O ATOM 717 CB LEU A 47 4.640 -1.126 -0.191 1.00 0.00 C ATOM 718 CG LEU A 47 4.959 -1.786 -1.533 1.00 0.00 C ATOM 719 CD1 LEU A 47 6.177 -1.136 -2.171 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.182 -3.280 -1.353 1.00 0.00 C ATOM 0 H LEU A 47 2.194 -0.625 -0.810 1.00 0.00 H new ATOM 0 HA LEU A 47 3.545 -2.727 0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.501 -0.058 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.507 -1.236 0.461 1.00 0.00 H new ATOM 0 HG LEU A 47 4.107 -1.644 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.389 -1.619 -3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.980 -0.077 -2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.036 -1.246 -1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.408 -3.733 -2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.017 -3.444 -0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.282 -3.735 -0.940 1.00 0.00 H new ATOM 732 N ASP A 48 2.899 0.328 1.833 1.00 0.00 N ATOM 733 CA ASP A 48 2.715 1.121 3.043 1.00 0.00 C ATOM 734 C ASP A 48 1.619 2.165 2.848 1.00 0.00 C ATOM 735 O ASP A 48 1.417 2.667 1.742 1.00 0.00 O ATOM 736 CB ASP A 48 4.025 1.806 3.435 1.00 0.00 C ATOM 737 CG ASP A 48 3.815 2.934 4.425 1.00 0.00 C ATOM 738 OD1 ASP A 48 3.455 2.646 5.585 1.00 0.00 O ATOM 739 OD2 ASP A 48 4.011 4.106 4.039 1.00 0.00 O ATOM 0 H ASP A 48 2.730 0.837 0.965 1.00 0.00 H new ATOM 0 HA ASP A 48 2.412 0.448 3.845 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.702 1.069 3.867 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.509 2.197 2.540 1.00 0.00 H new ATOM 744 N SER A 49 0.915 2.486 3.928 1.00 0.00 N ATOM 745 CA SER A 49 -0.163 3.466 3.874 1.00 0.00 C ATOM 746 C SER A 49 0.068 4.584 4.886 1.00 0.00 C ATOM 747 O SER A 49 -0.870 5.065 5.522 1.00 0.00 O ATOM 748 CB SER A 49 -1.509 2.790 4.143 1.00 0.00 C ATOM 749 OG SER A 49 -1.481 2.064 5.359 1.00 0.00 O ATOM 0 H SER A 49 1.072 2.082 4.851 1.00 0.00 H new ATOM 0 HA SER A 49 -0.176 3.901 2.875 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.296 3.543 4.184 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.753 2.118 3.320 1.00 0.00 H new ATOM 0 HG SER A 49 -2.353 1.643 5.509 1.00 0.00 H new ATOM 755 N SER A 50 1.325 4.994 5.029 1.00 0.00 N ATOM 756 CA SER A 50 1.682 6.053 5.965 1.00 0.00 C ATOM 757 C SER A 50 0.860 7.311 5.702 1.00 0.00 C ATOM 758 O SER A 50 0.343 7.932 6.629 1.00 0.00 O ATOM 759 CB SER A 50 3.174 6.373 5.861 1.00 0.00 C ATOM 760 OG SER A 50 3.493 7.556 6.573 1.00 0.00 O ATOM 0 H SER A 50 2.113 4.608 4.508 1.00 0.00 H new ATOM 0 HA SER A 50 1.463 5.702 6.973 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.756 5.540 6.255 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.452 6.489 4.813 1.00 0.00 H new ATOM 0 HG SER A 50 3.518 8.314 5.953 1.00 0.00 H new ATOM 766 N GLU A 51 0.746 7.680 4.429 1.00 0.00 N ATOM 767 CA GLU A 51 -0.012 8.864 4.044 1.00 0.00 C ATOM 768 C GLU A 51 -1.427 8.488 3.613 1.00 0.00 C ATOM 769 O GLU A 51 -1.713 7.324 3.331 1.00 0.00 O ATOM 770 CB GLU A 51 0.698 9.604 2.908 1.00 0.00 C ATOM 771 CG GLU A 51 1.780 10.558 3.387 1.00 0.00 C ATOM 772 CD GLU A 51 3.088 9.853 3.688 1.00 0.00 C ATOM 773 OE1 GLU A 51 3.587 9.127 2.804 1.00 0.00 O ATOM 774 OE2 GLU A 51 3.612 10.027 4.808 1.00 0.00 O ATOM 0 H GLU A 51 1.168 7.177 3.649 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.077 9.520 4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.142 8.874 2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.040 10.164 2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.949 11.321 2.627 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.434 11.073 4.283 1.00 0.00 H new ATOM 781 N ILE A 52 -2.308 9.482 3.565 1.00 0.00 N ATOM 782 CA ILE A 52 -3.693 9.256 3.169 1.00 0.00 C ATOM 783 C ILE A 52 -3.892 9.537 1.683 1.00 0.00 C ATOM 784 O ILE A 52 -4.350 8.674 0.934 1.00 0.00 O ATOM 785 CB ILE A 52 -4.661 10.136 3.981 1.00 0.00 C ATOM 786 CG1 ILE A 52 -4.464 9.902 5.480 1.00 0.00 C ATOM 787 CG2 ILE A 52 -6.100 9.850 3.579 1.00 0.00 C ATOM 788 CD1 ILE A 52 -5.009 11.018 6.343 1.00 0.00 C ATOM 0 H ILE A 52 -2.088 10.451 3.795 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.913 8.208 3.371 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.445 11.182 3.765 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.949 8.967 5.760 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.400 9.783 5.684 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.773 10.480 4.162 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.231 10.064 2.518 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.329 8.801 3.769 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.834 10.784 7.393 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.506 11.952 6.091 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.080 11.123 6.168 1.00 0.00 H new ATOM 800 N HIS A 53 -3.543 10.749 1.264 1.00 0.00 N ATOM 801 CA HIS A 53 -3.681 11.143 -0.134 1.00 0.00 C ATOM 802 C HIS A 53 -2.705 10.370 -1.015 1.00 0.00 C ATOM 803 O HIS A 53 -3.043 9.969 -2.129 1.00 0.00 O ATOM 804 CB HIS A 53 -3.446 12.646 -0.288 1.00 0.00 C ATOM 805 CG HIS A 53 -4.101 13.467 0.780 1.00 0.00 C ATOM 806 ND1 HIS A 53 -5.453 13.739 0.797 1.00 0.00 N ATOM 807 CD2 HIS A 53 -3.582 14.075 1.873 1.00 0.00 C ATOM 808 CE1 HIS A 53 -5.737 14.481 1.853 1.00 0.00 C ATOM 809 NE2 HIS A 53 -4.619 14.698 2.522 1.00 0.00 N ATOM 0 H HIS A 53 -3.163 11.475 1.872 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.696 10.907 -0.454 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.374 12.841 -0.278 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.819 12.966 -1.261 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.546 14.071 2.177 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.716 14.848 2.123 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.539 15.241 3.382 1.00 0.00 H new ATOM 818 N TRP A 54 -1.494 10.167 -0.510 1.00 0.00 N ATOM 819 CA TRP A 54 -0.468 9.443 -1.253 1.00 0.00 C ATOM 820 C TRP A 54 -0.234 8.061 -0.652 1.00 0.00 C ATOM 821 O TRP A 54 0.073 7.933 0.533 1.00 0.00 O ATOM 822 CB TRP A 54 0.840 10.236 -1.262 1.00 0.00 C ATOM 823 CG TRP A 54 0.691 11.620 -1.817 1.00 0.00 C ATOM 824 CD1 TRP A 54 0.867 12.796 -1.144 1.00 0.00 C ATOM 825 CD2 TRP A 54 0.334 11.972 -3.158 1.00 0.00 C ATOM 826 NE1 TRP A 54 0.640 13.858 -1.987 1.00 0.00 N ATOM 827 CE2 TRP A 54 0.312 13.379 -3.228 1.00 0.00 C ATOM 828 CE3 TRP A 54 0.032 11.236 -4.306 1.00 0.00 C ATOM 829 CZ2 TRP A 54 0.000 14.061 -4.401 1.00 0.00 C ATOM 830 CZ3 TRP A 54 -0.279 11.914 -5.470 1.00 0.00 C ATOM 831 CH2 TRP A 54 -0.292 13.315 -5.510 1.00 0.00 C ATOM 0 H TRP A 54 -1.198 10.493 0.410 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.817 9.319 -2.278 1.00 0.00 H new ATOM 0 HB2 TRP A 54 1.225 10.300 -0.244 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.581 9.694 -1.850 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.144 12.879 -0.103 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.705 14.843 -1.730 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.041 10.156 -4.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.011 15.140 -4.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.516 11.355 -6.363 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.537 13.816 -6.435 1.00 0.00 H new ATOM 842 N TRP A 55 -0.381 7.030 -1.476 1.00 0.00 N ATOM 843 CA TRP A 55 -0.185 5.657 -1.025 1.00 0.00 C ATOM 844 C TRP A 55 0.975 5.001 -1.765 1.00 0.00 C ATOM 845 O TRP A 55 1.175 5.234 -2.957 1.00 0.00 O ATOM 846 CB TRP A 55 -1.464 4.843 -1.232 1.00 0.00 C ATOM 847 CG TRP A 55 -2.389 4.880 -0.053 1.00 0.00 C ATOM 848 CD1 TRP A 55 -2.292 5.694 1.039 1.00 0.00 C ATOM 849 CD2 TRP A 55 -3.549 4.067 0.151 1.00 0.00 C ATOM 850 NE1 TRP A 55 -3.323 5.436 1.911 1.00 0.00 N ATOM 851 CE2 TRP A 55 -4.108 4.442 1.389 1.00 0.00 C ATOM 852 CE3 TRP A 55 -4.172 3.060 -0.591 1.00 0.00 C ATOM 853 CZ2 TRP A 55 -5.258 3.844 1.898 1.00 0.00 C ATOM 854 CZ3 TRP A 55 -5.312 2.467 -0.084 1.00 0.00 C ATOM 855 CH2 TRP A 55 -5.846 2.861 1.150 1.00 0.00 C ATOM 0 H TRP A 55 -0.635 7.119 -2.460 1.00 0.00 H new ATOM 0 HA TRP A 55 0.054 5.681 0.038 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -1.989 5.222 -2.109 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -1.197 3.807 -1.443 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -1.519 6.432 1.195 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -3.478 5.908 2.802 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.769 2.751 -1.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.671 4.145 2.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -5.800 1.686 -0.649 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.740 2.379 1.518 1.00 0.00 H new ATOM 866 N ARG A 56 1.738 4.179 -1.051 1.00 0.00 N ATOM 867 CA ARG A 56 2.879 3.490 -1.641 1.00 0.00 C ATOM 868 C ARG A 56 2.531 2.039 -1.963 1.00 0.00 C ATOM 869 O ARG A 56 2.352 1.218 -1.063 1.00 0.00 O ATOM 870 CB ARG A 56 4.078 3.540 -0.692 1.00 0.00 C ATOM 871 CG ARG A 56 5.383 3.103 -1.337 1.00 0.00 C ATOM 872 CD ARG A 56 6.579 3.445 -0.461 1.00 0.00 C ATOM 873 NE ARG A 56 7.826 3.460 -1.220 1.00 0.00 N ATOM 874 CZ ARG A 56 9.028 3.374 -0.660 1.00 0.00 C ATOM 875 NH1 ARG A 56 9.144 3.268 0.656 1.00 0.00 N ATOM 876 NH2 ARG A 56 10.117 3.395 -1.418 1.00 0.00 N ATOM 0 H ARG A 56 1.586 3.974 -0.063 1.00 0.00 H new ATOM 0 HA ARG A 56 3.138 3.998 -2.570 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.191 4.557 -0.316 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.876 2.902 0.169 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.359 2.028 -1.518 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.491 3.588 -2.307 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.424 4.420 0.000 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.656 2.718 0.348 1.00 0.00 H new ATOM 0 HE ARG A 56 7.772 3.541 -2.235 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.309 3.252 1.242 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.068 3.202 1.083 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.032 3.477 -2.431 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.039 3.329 -0.988 1.00 0.00 H new ATOM 890 N VAL A 57 2.437 1.731 -3.252 1.00 0.00 N ATOM 891 CA VAL A 57 2.112 0.380 -3.693 1.00 0.00 C ATOM 892 C VAL A 57 3.192 -0.172 -4.617 1.00 0.00 C ATOM 893 O VAL A 57 4.025 0.576 -5.129 1.00 0.00 O ATOM 894 CB VAL A 57 0.757 0.339 -4.424 1.00 0.00 C ATOM 895 CG1 VAL A 57 -0.338 0.939 -3.554 1.00 0.00 C ATOM 896 CG2 VAL A 57 0.849 1.068 -5.757 1.00 0.00 C ATOM 0 H VAL A 57 2.581 2.399 -4.009 1.00 0.00 H new ATOM 0 HA VAL A 57 2.053 -0.239 -2.798 1.00 0.00 H new ATOM 0 HB VAL A 57 0.502 -0.702 -4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.288 0.901 -4.087 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.419 0.371 -2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.092 1.976 -3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.117 1.029 -6.260 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.127 2.108 -5.585 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.603 0.590 -6.382 1.00 0.00 H new ATOM 906 N GLN A 58 3.171 -1.484 -4.826 1.00 0.00 N ATOM 907 CA GLN A 58 4.149 -2.136 -5.688 1.00 0.00 C ATOM 908 C GLN A 58 3.471 -2.769 -6.899 1.00 0.00 C ATOM 909 O GLN A 58 2.504 -3.518 -6.760 1.00 0.00 O ATOM 910 CB GLN A 58 4.921 -3.200 -4.906 1.00 0.00 C ATOM 911 CG GLN A 58 5.976 -3.917 -5.733 1.00 0.00 C ATOM 912 CD GLN A 58 6.691 -5.002 -4.953 1.00 0.00 C ATOM 913 OE1 GLN A 58 6.235 -6.144 -4.895 1.00 0.00 O ATOM 914 NE2 GLN A 58 7.820 -4.651 -4.347 1.00 0.00 N ATOM 0 H GLN A 58 2.487 -2.116 -4.410 1.00 0.00 H new ATOM 0 HA GLN A 58 4.847 -1.377 -6.041 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.401 -2.731 -4.047 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.217 -3.934 -4.515 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.506 -4.357 -6.612 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.706 -3.191 -6.091 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.162 -3.693 -4.421 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.345 -5.340 -3.808 1.00 0.00 H new ATOM 923 N ASP A 59 3.985 -2.464 -8.085 1.00 0.00 N ATOM 924 CA ASP A 59 3.430 -3.004 -9.321 1.00 0.00 C ATOM 925 C ASP A 59 3.647 -4.512 -9.401 1.00 0.00 C ATOM 926 O ASP A 59 4.387 -5.086 -8.601 1.00 0.00 O ATOM 927 CB ASP A 59 4.064 -2.320 -10.532 1.00 0.00 C ATOM 928 CG ASP A 59 3.455 -2.780 -11.842 1.00 0.00 C ATOM 929 OD1 ASP A 59 2.326 -2.349 -12.155 1.00 0.00 O ATOM 930 OD2 ASP A 59 4.108 -3.572 -12.554 1.00 0.00 O ATOM 0 H ASP A 59 4.785 -1.846 -8.217 1.00 0.00 H new ATOM 0 HA ASP A 59 2.358 -2.809 -9.324 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.946 -1.240 -10.439 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.135 -2.524 -10.541 1.00 0.00 H new ATOM 935 N ARG A 60 2.998 -5.148 -10.370 1.00 0.00 N ATOM 936 CA ARG A 60 3.118 -6.589 -10.553 1.00 0.00 C ATOM 937 C ARG A 60 4.518 -6.961 -11.033 1.00 0.00 C ATOM 938 O ARG A 60 5.044 -8.018 -10.687 1.00 0.00 O ATOM 939 CB ARG A 60 2.075 -7.087 -11.555 1.00 0.00 C ATOM 940 CG ARG A 60 2.169 -6.416 -12.916 1.00 0.00 C ATOM 941 CD ARG A 60 1.589 -7.296 -14.012 1.00 0.00 C ATOM 942 NE ARG A 60 2.103 -6.938 -15.331 1.00 0.00 N ATOM 943 CZ ARG A 60 1.725 -5.852 -15.997 1.00 0.00 C ATOM 944 NH1 ARG A 60 0.835 -5.023 -15.470 1.00 0.00 N ATOM 945 NH2 ARG A 60 2.239 -5.595 -17.194 1.00 0.00 N ATOM 0 H ARG A 60 2.383 -4.688 -11.041 1.00 0.00 H new ATOM 0 HA ARG A 60 2.943 -7.068 -9.589 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.190 -8.164 -11.681 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.079 -6.919 -11.144 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.637 -5.465 -12.892 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.212 -6.192 -13.141 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.825 -8.339 -13.802 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.503 -7.208 -14.010 1.00 0.00 H new ATOM 0 HE ARG A 60 2.790 -7.555 -15.765 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.438 -5.218 -14.551 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.547 -4.190 -15.984 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.924 -6.231 -17.602 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.949 -4.761 -17.705 1.00 0.00 H new ATOM 959 N ASN A 61 5.116 -6.084 -11.834 1.00 0.00 N ATOM 960 CA ASN A 61 6.454 -6.321 -12.363 1.00 0.00 C ATOM 961 C ASN A 61 7.500 -6.234 -11.255 1.00 0.00 C ATOM 962 O ASN A 61 8.326 -7.132 -11.096 1.00 0.00 O ATOM 963 CB ASN A 61 6.776 -5.308 -13.464 1.00 0.00 C ATOM 964 CG ASN A 61 6.336 -5.785 -14.835 1.00 0.00 C ATOM 965 OD1 ASN A 61 6.303 -6.986 -15.105 1.00 0.00 O ATOM 966 ND2 ASN A 61 5.996 -4.844 -15.707 1.00 0.00 N ATOM 0 H ASN A 61 4.695 -5.204 -12.130 1.00 0.00 H new ATOM 0 HA ASN A 61 6.479 -7.326 -12.784 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.286 -4.361 -13.237 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.849 -5.117 -13.476 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.692 -5.104 -16.645 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.039 -3.861 -15.439 1.00 0.00 H new ATOM 973 N GLY A 62 7.457 -5.147 -10.492 1.00 0.00 N ATOM 974 CA GLY A 62 8.405 -4.963 -9.408 1.00 0.00 C ATOM 975 C GLY A 62 8.787 -3.509 -9.213 1.00 0.00 C ATOM 976 O GLY A 62 9.921 -3.202 -8.845 1.00 0.00 O ATOM 0 H GLY A 62 6.783 -4.390 -10.605 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.975 -5.350 -8.484 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.302 -5.547 -9.611 1.00 0.00 H new ATOM 980 N HIS A 63 7.838 -2.611 -9.459 1.00 0.00 N ATOM 981 CA HIS A 63 8.082 -1.181 -9.309 1.00 0.00 C ATOM 982 C HIS A 63 7.284 -0.614 -8.138 1.00 0.00 C ATOM 983 O HIS A 63 6.475 -1.315 -7.530 1.00 0.00 O ATOM 984 CB HIS A 63 7.716 -0.442 -10.596 1.00 0.00 C ATOM 985 CG HIS A 63 8.119 -1.171 -11.841 1.00 0.00 C ATOM 986 ND1 HIS A 63 7.464 -1.022 -13.045 1.00 0.00 N ATOM 987 CD2 HIS A 63 9.117 -2.057 -12.064 1.00 0.00 C ATOM 988 CE1 HIS A 63 8.041 -1.787 -13.955 1.00 0.00 C ATOM 989 NE2 HIS A 63 9.048 -2.425 -13.385 1.00 0.00 N ATOM 0 H HIS A 63 6.894 -2.848 -9.763 1.00 0.00 H new ATOM 0 HA HIS A 63 9.143 -1.038 -9.106 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.639 -0.275 -10.615 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.191 0.539 -10.589 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.835 -2.409 -11.338 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.741 -1.876 -14.989 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.672 -3.084 -13.851 1.00 0.00 H new ATOM 998 N GLU A 64 7.518 0.657 -7.829 1.00 0.00 N ATOM 999 CA GLU A 64 6.821 1.316 -6.730 1.00 0.00 C ATOM 1000 C GLU A 64 6.800 2.829 -6.929 1.00 0.00 C ATOM 1001 O GLU A 64 7.454 3.357 -7.827 1.00 0.00 O ATOM 1002 CB GLU A 64 7.489 0.975 -5.396 1.00 0.00 C ATOM 1003 CG GLU A 64 8.037 -0.441 -5.335 1.00 0.00 C ATOM 1004 CD GLU A 64 8.862 -0.693 -4.087 1.00 0.00 C ATOM 1005 OE1 GLU A 64 8.926 0.208 -3.225 1.00 0.00 O ATOM 1006 OE2 GLU A 64 9.442 -1.793 -3.973 1.00 0.00 O ATOM 0 H GLU A 64 8.184 1.251 -8.323 1.00 0.00 H new ATOM 0 HA GLU A 64 5.793 0.954 -6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.302 1.678 -5.216 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.766 1.111 -4.592 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.209 -1.149 -5.368 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.651 -0.627 -6.216 1.00 0.00 H new ATOM 1013 N GLY A 65 6.043 3.521 -6.083 1.00 0.00 N ATOM 1014 CA GLY A 65 5.949 4.965 -6.181 1.00 0.00 C ATOM 1015 C GLY A 65 4.678 5.508 -5.560 1.00 0.00 C ATOM 1016 O GLY A 65 3.660 4.817 -5.509 1.00 0.00 O ATOM 0 H GLY A 65 5.493 3.106 -5.331 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.811 5.416 -5.689 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.991 5.258 -7.230 1.00 0.00 H new ATOM 1020 N TYR A 66 4.735 6.747 -5.085 1.00 0.00 N ATOM 1021 CA TYR A 66 3.581 7.381 -4.460 1.00 0.00 C ATOM 1022 C TYR A 66 2.476 7.630 -5.482 1.00 0.00 C ATOM 1023 O TYR A 66 2.708 8.236 -6.529 1.00 0.00 O ATOM 1024 CB TYR A 66 3.990 8.700 -3.802 1.00 0.00 C ATOM 1025 CG TYR A 66 5.004 8.534 -2.693 1.00 0.00 C ATOM 1026 CD1 TYR A 66 4.737 7.722 -1.597 1.00 0.00 C ATOM 1027 CD2 TYR A 66 6.228 9.190 -2.740 1.00 0.00 C ATOM 1028 CE1 TYR A 66 5.660 7.569 -0.581 1.00 0.00 C ATOM 1029 CE2 TYR A 66 7.157 9.041 -1.729 1.00 0.00 C ATOM 1030 CZ TYR A 66 6.869 8.230 -0.651 1.00 0.00 C ATOM 1031 OH TYR A 66 7.791 8.080 0.359 1.00 0.00 O ATOM 0 H TYR A 66 5.569 7.333 -5.121 1.00 0.00 H new ATOM 0 HA TYR A 66 3.198 6.705 -3.695 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.401 9.364 -4.563 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.101 9.187 -3.401 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.792 7.202 -1.539 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.457 9.827 -3.581 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.436 6.935 0.264 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.104 9.557 -1.782 1.00 0.00 H new ATOM 0 HH TYR A 66 8.589 8.612 0.155 1.00 0.00 H new ATOM 1041 N VAL A 67 1.273 7.159 -5.171 1.00 0.00 N ATOM 1042 CA VAL A 67 0.130 7.332 -6.060 1.00 0.00 C ATOM 1043 C VAL A 67 -1.092 7.825 -5.295 1.00 0.00 C ATOM 1044 O VAL A 67 -1.231 7.609 -4.090 1.00 0.00 O ATOM 1045 CB VAL A 67 -0.224 6.017 -6.780 1.00 0.00 C ATOM 1046 CG1 VAL A 67 0.767 5.737 -7.899 1.00 0.00 C ATOM 1047 CG2 VAL A 67 -0.264 4.862 -5.791 1.00 0.00 C ATOM 0 H VAL A 67 1.064 6.654 -4.310 1.00 0.00 H new ATOM 0 HA VAL A 67 0.415 8.078 -6.801 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.215 6.121 -7.222 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.501 4.804 -8.396 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.741 6.553 -8.621 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.771 5.653 -7.483 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.516 3.941 -6.317 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.712 4.754 -5.318 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.017 5.062 -5.029 1.00 0.00 H new ATOM 1057 N PRO A 68 -2.003 8.504 -6.008 1.00 0.00 N ATOM 1058 CA PRO A 68 -3.232 9.041 -5.417 1.00 0.00 C ATOM 1059 C PRO A 68 -4.214 7.944 -5.024 1.00 0.00 C ATOM 1060 O PRO A 68 -4.838 7.319 -5.882 1.00 0.00 O ATOM 1061 CB PRO A 68 -3.816 9.906 -6.537 1.00 0.00 C ATOM 1062 CG PRO A 68 -3.271 9.318 -7.792 1.00 0.00 C ATOM 1063 CD PRO A 68 -1.903 8.799 -7.447 1.00 0.00 C ATOM 0 HA PRO A 68 -3.035 9.589 -4.495 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.906 9.882 -6.529 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.520 10.949 -6.427 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.912 8.516 -8.157 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.216 10.067 -8.582 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.654 7.908 -8.023 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.129 9.538 -7.653 1.00 0.00 H new ATOM 1071 N SER A 69 -4.348 7.714 -3.722 1.00 0.00 N ATOM 1072 CA SER A 69 -5.253 6.688 -3.216 1.00 0.00 C ATOM 1073 C SER A 69 -6.562 6.684 -4.000 1.00 0.00 C ATOM 1074 O SER A 69 -7.204 5.644 -4.152 1.00 0.00 O ATOM 1075 CB SER A 69 -5.537 6.917 -1.730 1.00 0.00 C ATOM 1076 OG SER A 69 -6.490 7.949 -1.545 1.00 0.00 O ATOM 0 H SER A 69 -3.842 8.224 -2.998 1.00 0.00 H new ATOM 0 HA SER A 69 -4.771 5.719 -3.342 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.904 5.994 -1.281 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.612 7.176 -1.216 1.00 0.00 H new ATOM 0 HG SER A 69 -6.655 8.074 -0.587 1.00 0.00 H new ATOM 1082 N SER A 70 -6.952 7.854 -4.495 1.00 0.00 N ATOM 1083 CA SER A 70 -8.186 7.987 -5.260 1.00 0.00 C ATOM 1084 C SER A 70 -8.272 6.916 -6.343 1.00 0.00 C ATOM 1085 O SER A 70 -9.284 6.227 -6.471 1.00 0.00 O ATOM 1086 CB SER A 70 -8.271 9.377 -5.894 1.00 0.00 C ATOM 1087 OG SER A 70 -8.656 10.351 -4.939 1.00 0.00 O ATOM 0 H SER A 70 -6.431 8.723 -4.380 1.00 0.00 H new ATOM 0 HA SER A 70 -9.024 7.856 -4.576 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.305 9.645 -6.322 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.989 9.363 -6.714 1.00 0.00 H new ATOM 0 HG SER A 70 -8.701 11.231 -5.369 1.00 0.00 H new ATOM 1093 N TYR A 71 -7.203 6.783 -7.120 1.00 0.00 N ATOM 1094 CA TYR A 71 -7.157 5.798 -8.195 1.00 0.00 C ATOM 1095 C TYR A 71 -7.213 4.380 -7.636 1.00 0.00 C ATOM 1096 O TYR A 71 -7.923 3.521 -8.160 1.00 0.00 O ATOM 1097 CB TYR A 71 -5.887 5.980 -9.028 1.00 0.00 C ATOM 1098 CG TYR A 71 -5.947 7.159 -9.973 1.00 0.00 C ATOM 1099 CD1 TYR A 71 -6.388 8.402 -9.537 1.00 0.00 C ATOM 1100 CD2 TYR A 71 -5.564 7.030 -11.302 1.00 0.00 C ATOM 1101 CE1 TYR A 71 -6.445 9.482 -10.397 1.00 0.00 C ATOM 1102 CE2 TYR A 71 -5.616 8.104 -12.169 1.00 0.00 C ATOM 1103 CZ TYR A 71 -6.058 9.328 -11.711 1.00 0.00 C ATOM 1104 OH TYR A 71 -6.113 10.401 -12.572 1.00 0.00 O ATOM 0 H TYR A 71 -6.357 7.345 -7.026 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.027 5.953 -8.833 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.037 6.106 -8.357 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.707 5.072 -9.604 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.692 8.526 -8.508 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.219 6.073 -11.664 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.791 10.441 -10.042 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.313 7.986 -13.199 1.00 0.00 H new ATOM 0 HH TYR A 71 -5.805 10.124 -13.460 1.00 0.00 H new ATOM 1114 N LEU A 72 -6.459 4.141 -6.568 1.00 0.00 N ATOM 1115 CA LEU A 72 -6.422 2.827 -5.936 1.00 0.00 C ATOM 1116 C LEU A 72 -7.712 2.555 -5.170 1.00 0.00 C ATOM 1117 O LEU A 72 -8.269 3.449 -4.533 1.00 0.00 O ATOM 1118 CB LEU A 72 -5.223 2.729 -4.990 1.00 0.00 C ATOM 1119 CG LEU A 72 -3.844 2.782 -5.647 1.00 0.00 C ATOM 1120 CD1 LEU A 72 -2.754 2.884 -4.592 1.00 0.00 C ATOM 1121 CD2 LEU A 72 -3.624 1.560 -6.527 1.00 0.00 C ATOM 0 H LEU A 72 -5.865 4.840 -6.122 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.322 2.076 -6.720 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.290 3.541 -4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.302 1.796 -4.431 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.797 3.671 -6.276 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.779 2.921 -5.078 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.900 3.790 -4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.800 2.015 -3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.637 1.615 -6.986 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.692 0.657 -5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.386 1.531 -7.306 1.00 0.00 H new ATOM 1133 N VAL A 73 -8.182 1.313 -5.235 1.00 0.00 N ATOM 1134 CA VAL A 73 -9.406 0.921 -4.545 1.00 0.00 C ATOM 1135 C VAL A 73 -9.218 -0.395 -3.800 1.00 0.00 C ATOM 1136 O VAL A 73 -8.689 -1.360 -4.349 1.00 0.00 O ATOM 1137 CB VAL A 73 -10.583 0.779 -5.528 1.00 0.00 C ATOM 1138 CG1 VAL A 73 -10.553 1.894 -6.563 1.00 0.00 C ATOM 1139 CG2 VAL A 73 -10.554 -0.585 -6.200 1.00 0.00 C ATOM 0 H VAL A 73 -7.734 0.561 -5.758 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.634 1.711 -3.829 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.514 0.862 -4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.392 1.777 -7.249 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.627 2.859 -6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.618 1.846 -7.122 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.393 -0.668 -6.891 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.619 -0.701 -6.748 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.629 -1.365 -5.443 1.00 0.00 H new ATOM 1149 N GLU A 74 -9.658 -0.426 -2.545 1.00 0.00 N ATOM 1150 CA GLU A 74 -9.538 -1.625 -1.724 1.00 0.00 C ATOM 1151 C GLU A 74 -10.409 -2.751 -2.274 1.00 0.00 C ATOM 1152 O GLU A 74 -11.631 -2.734 -2.128 1.00 0.00 O ATOM 1153 CB GLU A 74 -9.932 -1.321 -0.277 1.00 0.00 C ATOM 1154 CG GLU A 74 -9.214 -2.187 0.744 1.00 0.00 C ATOM 1155 CD GLU A 74 -9.878 -2.152 2.107 1.00 0.00 C ATOM 1156 OE1 GLU A 74 -10.352 -1.069 2.508 1.00 0.00 O ATOM 1157 OE2 GLU A 74 -9.923 -3.208 2.772 1.00 0.00 O ATOM 0 H GLU A 74 -10.100 0.365 -2.076 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.497 -1.949 -1.749 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.721 -0.273 -0.064 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.008 -1.459 -0.166 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.183 -3.216 0.385 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.181 -1.851 0.838 1.00 0.00 H new ATOM 1164 N LYS A 75 -9.771 -3.728 -2.909 1.00 0.00 N ATOM 1165 CA LYS A 75 -10.485 -4.863 -3.481 1.00 0.00 C ATOM 1166 C LYS A 75 -11.538 -5.390 -2.511 1.00 0.00 C ATOM 1167 O LYS A 75 -11.211 -5.865 -1.423 1.00 0.00 O ATOM 1168 CB LYS A 75 -9.503 -5.981 -3.841 1.00 0.00 C ATOM 1169 CG LYS A 75 -10.105 -7.056 -4.729 1.00 0.00 C ATOM 1170 CD LYS A 75 -9.075 -8.109 -5.106 1.00 0.00 C ATOM 1171 CE LYS A 75 -9.420 -8.777 -6.428 1.00 0.00 C ATOM 1172 NZ LYS A 75 -8.315 -9.651 -6.912 1.00 0.00 N ATOM 0 H LYS A 75 -8.760 -3.757 -3.041 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.988 -4.524 -4.386 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.640 -5.547 -4.345 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.138 -6.442 -2.923 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.940 -7.530 -4.213 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.508 -6.599 -5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.090 -7.647 -5.176 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.019 -8.862 -4.320 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.327 -9.370 -6.310 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.634 -8.014 -7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.588 -10.088 -7.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.456 -9.081 -7.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.128 -10.395 -6.210 1.00 0.00 H new ATOM 1186 N SER A 76 -12.802 -5.303 -2.912 1.00 0.00 N ATOM 1187 CA SER A 76 -13.902 -5.768 -2.077 1.00 0.00 C ATOM 1188 C SER A 76 -13.908 -7.291 -1.983 1.00 0.00 C ATOM 1189 O SER A 76 -13.571 -7.998 -2.934 1.00 0.00 O ATOM 1190 CB SER A 76 -15.239 -5.276 -2.636 1.00 0.00 C ATOM 1191 OG SER A 76 -15.574 -4.003 -2.109 1.00 0.00 O ATOM 0 H SER A 76 -13.089 -4.915 -3.810 1.00 0.00 H new ATOM 0 HA SER A 76 -13.762 -5.360 -1.076 1.00 0.00 H new ATOM 0 HB2 SER A 76 -15.184 -5.220 -3.723 1.00 0.00 H new ATOM 0 HB3 SER A 76 -16.024 -5.992 -2.393 1.00 0.00 H new ATOM 0 HG SER A 76 -16.431 -3.710 -2.482 1.00 0.00 H new ATOM 1197 N PRO A 77 -14.298 -7.810 -0.810 1.00 0.00 N ATOM 1198 CA PRO A 77 -14.358 -9.254 -0.563 1.00 0.00 C ATOM 1199 C PRO A 77 -15.478 -9.930 -1.347 1.00 0.00 C ATOM 1200 O PRO A 77 -15.355 -11.086 -1.750 1.00 0.00 O ATOM 1201 CB PRO A 77 -14.627 -9.346 0.941 1.00 0.00 C ATOM 1202 CG PRO A 77 -15.301 -8.063 1.284 1.00 0.00 C ATOM 1203 CD PRO A 77 -14.713 -7.027 0.366 1.00 0.00 C ATOM 0 HA PRO A 77 -13.445 -9.760 -0.878 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -15.260 -10.201 1.178 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -13.701 -9.469 1.502 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -16.379 -8.140 1.146 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -15.131 -7.800 2.328 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -15.444 -6.262 0.102 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -13.868 -6.515 0.827 1.00 0.00 H new ATOM 1211 N ASN A 78 -16.569 -9.201 -1.559 1.00 0.00 N ATOM 1212 CA ASN A 78 -17.711 -9.732 -2.295 1.00 0.00 C ATOM 1213 C ASN A 78 -17.363 -9.933 -3.767 1.00 0.00 C ATOM 1214 O ASN A 78 -17.405 -11.051 -4.278 1.00 0.00 O ATOM 1215 CB ASN A 78 -18.909 -8.790 -2.167 1.00 0.00 C ATOM 1216 CG ASN A 78 -18.981 -8.129 -0.803 1.00 0.00 C ATOM 1217 OD1 ASN A 78 -18.059 -7.424 -0.393 1.00 0.00 O ATOM 1218 ND2 ASN A 78 -20.081 -8.354 -0.094 1.00 0.00 N ATOM 0 H ASN A 78 -16.686 -8.242 -1.232 1.00 0.00 H new ATOM 0 HA ASN A 78 -17.971 -10.700 -1.866 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -18.848 -8.021 -2.938 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -19.828 -9.348 -2.346 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -20.187 -7.935 0.830 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -20.820 -8.945 -0.474 1.00 0.00 H new ATOM 1225 N ASN A 79 -17.020 -8.841 -4.443 1.00 0.00 N ATOM 1226 CA ASN A 79 -16.665 -8.897 -5.857 1.00 0.00 C ATOM 1227 C ASN A 79 -17.842 -9.389 -6.694 1.00 0.00 C ATOM 1228 O ASN A 79 -17.705 -10.314 -7.495 1.00 0.00 O ATOM 1229 CB ASN A 79 -15.459 -9.815 -6.065 1.00 0.00 C ATOM 1230 CG ASN A 79 -14.798 -9.605 -7.414 1.00 0.00 C ATOM 1231 OD1 ASN A 79 -15.115 -8.656 -8.131 1.00 0.00 O ATOM 1232 ND2 ASN A 79 -13.875 -10.492 -7.765 1.00 0.00 N ATOM 0 H ASN A 79 -16.980 -7.907 -4.035 1.00 0.00 H new ATOM 0 HA ASN A 79 -16.407 -7.889 -6.182 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -14.730 -9.637 -5.275 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.777 -10.854 -5.977 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -13.396 -10.402 -8.661 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -13.644 -11.263 -7.138 1.00 0.00 H new ATOM 1239 N LEU A 80 -18.998 -8.762 -6.504 1.00 0.00 N ATOM 1240 CA LEU A 80 -20.200 -9.135 -7.241 1.00 0.00 C ATOM 1241 C LEU A 80 -20.628 -8.016 -8.186 1.00 0.00 C ATOM 1242 O LEU A 80 -21.786 -7.602 -8.189 1.00 0.00 O ATOM 1243 CB LEU A 80 -21.338 -9.461 -6.271 1.00 0.00 C ATOM 1244 CG LEU A 80 -21.318 -8.712 -4.938 1.00 0.00 C ATOM 1245 CD1 LEU A 80 -21.364 -7.209 -5.169 1.00 0.00 C ATOM 1246 CD2 LEU A 80 -22.480 -9.154 -4.061 1.00 0.00 C ATOM 0 H LEU A 80 -19.128 -7.993 -5.846 1.00 0.00 H new ATOM 0 HA LEU A 80 -19.972 -10.021 -7.834 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -22.285 -9.251 -6.769 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -21.317 -10.531 -6.064 1.00 0.00 H new ATOM 0 HG LEU A 80 -20.388 -8.951 -4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -21.349 -6.693 -4.209 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -20.499 -6.905 -5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -22.277 -6.951 -5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -22.450 -8.611 -3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -23.421 -8.945 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -22.403 -10.224 -3.867 1.00 0.00 H new ATOM 1258 N GLU A 81 -19.684 -7.533 -8.989 1.00 0.00 N ATOM 1259 CA GLU A 81 -19.964 -6.463 -9.939 1.00 0.00 C ATOM 1260 C GLU A 81 -19.780 -6.949 -11.374 1.00 0.00 C ATOM 1261 O GLU A 81 -18.881 -6.498 -12.084 1.00 0.00 O ATOM 1262 CB GLU A 81 -19.052 -5.264 -9.674 1.00 0.00 C ATOM 1263 CG GLU A 81 -19.452 -4.453 -8.453 1.00 0.00 C ATOM 1264 CD GLU A 81 -20.697 -3.619 -8.689 1.00 0.00 C ATOM 1265 OE1 GLU A 81 -20.897 -3.165 -9.835 1.00 0.00 O ATOM 1266 OE2 GLU A 81 -21.469 -3.420 -7.728 1.00 0.00 O ATOM 0 H GLU A 81 -18.720 -7.866 -9.000 1.00 0.00 H new ATOM 0 HA GLU A 81 -21.002 -6.157 -9.807 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -18.029 -5.618 -9.546 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -19.057 -4.614 -10.549 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -19.624 -5.127 -7.614 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -18.628 -3.797 -8.171 1.00 0.00 H new ATOM 1273 N THR A 82 -20.639 -7.872 -11.795 1.00 0.00 N ATOM 1274 CA THR A 82 -20.572 -8.420 -13.144 1.00 0.00 C ATOM 1275 C THR A 82 -21.129 -7.436 -14.166 1.00 0.00 C ATOM 1276 O THR A 82 -21.823 -6.483 -13.811 1.00 0.00 O ATOM 1277 CB THR A 82 -21.347 -9.747 -13.250 1.00 0.00 C ATOM 1278 OG1 THR A 82 -22.711 -9.550 -12.859 1.00 0.00 O ATOM 1279 CG2 THR A 82 -20.713 -10.816 -12.374 1.00 0.00 C ATOM 0 H THR A 82 -21.390 -8.256 -11.221 1.00 0.00 H new ATOM 0 HA THR A 82 -19.519 -8.604 -13.358 1.00 0.00 H new ATOM 0 HB THR A 82 -21.311 -10.081 -14.287 1.00 0.00 H new ATOM 0 HG1 THR A 82 -23.198 -10.398 -12.931 1.00 0.00 H new ATOM 0 HG21 THR A 82 -21.278 -11.744 -12.466 1.00 0.00 H new ATOM 0 HG22 THR A 82 -19.684 -10.985 -12.693 1.00 0.00 H new ATOM 0 HG23 THR A 82 -20.722 -10.487 -11.335 1.00 0.00 H new ATOM 1287 N TYR A 83 -20.821 -7.673 -15.436 1.00 0.00 N ATOM 1288 CA TYR A 83 -21.290 -6.806 -16.511 1.00 0.00 C ATOM 1289 C TYR A 83 -22.716 -7.165 -16.918 1.00 0.00 C ATOM 1290 O TYR A 83 -23.044 -8.337 -17.097 1.00 0.00 O ATOM 1291 CB TYR A 83 -20.360 -6.910 -17.721 1.00 0.00 C ATOM 1292 CG TYR A 83 -19.034 -6.211 -17.527 1.00 0.00 C ATOM 1293 CD1 TYR A 83 -18.971 -4.835 -17.341 1.00 0.00 C ATOM 1294 CD2 TYR A 83 -17.842 -6.926 -17.531 1.00 0.00 C ATOM 1295 CE1 TYR A 83 -17.762 -4.192 -17.165 1.00 0.00 C ATOM 1296 CE2 TYR A 83 -16.628 -6.291 -17.354 1.00 0.00 C ATOM 1297 CZ TYR A 83 -16.593 -4.925 -17.171 1.00 0.00 C ATOM 1298 OH TYR A 83 -15.385 -4.289 -16.996 1.00 0.00 O ATOM 0 H TYR A 83 -20.249 -8.458 -15.747 1.00 0.00 H new ATOM 0 HA TYR A 83 -21.284 -5.780 -16.144 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -20.178 -7.962 -17.939 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -20.861 -6.486 -18.591 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -19.884 -4.258 -17.334 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -17.865 -7.996 -17.675 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -17.731 -3.122 -17.023 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -15.711 -6.862 -17.359 1.00 0.00 H new ATOM 0 HH TYR A 83 -14.661 -4.949 -17.025 1.00 0.00 H new ATOM 1308 N GLU A 84 -23.557 -6.146 -17.062 1.00 0.00 N ATOM 1309 CA GLU A 84 -24.948 -6.353 -17.448 1.00 0.00 C ATOM 1310 C GLU A 84 -25.222 -5.769 -18.831 1.00 0.00 C ATOM 1311 O GLU A 84 -25.693 -4.639 -18.957 1.00 0.00 O ATOM 1312 CB GLU A 84 -25.886 -5.719 -16.420 1.00 0.00 C ATOM 1313 CG GLU A 84 -26.106 -6.577 -15.186 1.00 0.00 C ATOM 1314 CD GLU A 84 -27.074 -7.718 -15.433 1.00 0.00 C ATOM 1315 OE1 GLU A 84 -26.639 -8.761 -15.964 1.00 0.00 O ATOM 1316 OE2 GLU A 84 -28.267 -7.567 -15.096 1.00 0.00 O ATOM 0 H GLU A 84 -23.300 -5.170 -16.917 1.00 0.00 H new ATOM 0 HA GLU A 84 -25.132 -7.427 -17.483 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -25.478 -4.756 -16.114 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -26.849 -5.522 -16.892 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -25.150 -6.982 -14.855 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -26.485 -5.953 -14.377 1.00 0.00 H new ATOM 1323 N TRP A 85 -24.922 -6.547 -19.865 1.00 0.00 N ATOM 1324 CA TRP A 85 -25.135 -6.108 -21.239 1.00 0.00 C ATOM 1325 C TRP A 85 -26.619 -6.108 -21.587 1.00 0.00 C ATOM 1326 O TRP A 85 -27.273 -7.151 -21.560 1.00 0.00 O ATOM 1327 CB TRP A 85 -24.371 -7.010 -22.210 1.00 0.00 C ATOM 1328 CG TRP A 85 -24.640 -8.470 -22.000 1.00 0.00 C ATOM 1329 CD1 TRP A 85 -24.083 -9.277 -21.049 1.00 0.00 C ATOM 1330 CD2 TRP A 85 -25.530 -9.295 -22.759 1.00 0.00 C ATOM 1331 NE1 TRP A 85 -24.574 -10.555 -21.172 1.00 0.00 N ATOM 1332 CE2 TRP A 85 -25.464 -10.591 -22.213 1.00 0.00 C ATOM 1333 CE3 TRP A 85 -26.378 -9.064 -23.846 1.00 0.00 C ATOM 1334 CZ2 TRP A 85 -26.213 -11.651 -22.718 1.00 0.00 C ATOM 1335 CZ3 TRP A 85 -27.120 -10.117 -24.346 1.00 0.00 C ATOM 1336 CH2 TRP A 85 -27.034 -11.397 -23.782 1.00 0.00 C ATOM 0 H TRP A 85 -24.531 -7.485 -19.778 1.00 0.00 H new ATOM 0 HA TRP A 85 -24.760 -5.089 -21.330 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -24.639 -6.742 -23.232 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -23.302 -6.825 -22.102 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -23.363 -8.958 -20.310 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -24.317 -11.348 -20.584 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -26.452 -8.081 -24.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -26.148 -12.638 -22.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -27.778 -9.951 -25.186 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -27.628 -12.199 -24.196 1.00 0.00 H new TER 1347 TRP A 85