USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 857 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+ -108:sc= 0.184 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0579 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -150:sc= -0.217 USER MOD Single : A 17 HIS : no HE2:sc= -0.298 K(o=-0.3,f=-0.86) USER MOD Single : A 19 LYS NZ :NH3+ -109:sc= 0.708 (180deg=-0.177) USER MOD Single : A 21 ASN : amide:sc= 0.467 X(o=0.47,f=-0.023) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.12) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 41:sc= 0.028 USER MOD Single : A 42 THR OG1 : rot 120:sc= -0.177 USER MOD Single : A 45 HIS : no HD1:sc= -1.53 X(o=-1.5,f=-1.3) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -100:sc= 1.53 USER MOD Single : A 59 CYS SG : rot 180:sc= -0.0024 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 127:sc= 0.854 (180deg=0.0979) USER MOD Single : A 72 ASN : amide:sc= 0.432 K(o=0.43,f=-3.3!) USER MOD Single : A 74 GLN : amide:sc= 0.564 K(o=0.56,f=-0.53) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 MET CE :methyl 165:sc= -3.66! (180deg=-4.61!) USER MOD Single : A 81 HIS : no HE2:sc= 0.0411 K(o=0.041,f=-1.8) USER MOD Single : A 86 LYS NZ :NH3+ -117:sc= 0.0524 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 32:sc= 0.101 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -1.76! K(o=-1.8!,f=-0.01) USER MOD Single : A 106 ASN : amide:sc=-0.00489 K(o=-0.0049,f=-0.75) USER MOD Single : A 107 SER OG : rot 180:sc= 0.0387 USER MOD Single : A 109 SER OG : rot 180:sc= 0.0827 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 11:sc= 0.614 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.601 -25.346 -12.210 1.00 0.00 N ATOM 2 CA GLY A 1 -4.349 -26.561 -11.439 1.00 0.00 C ATOM 3 C GLY A 1 -5.252 -26.598 -10.226 1.00 0.00 C ATOM 4 O GLY A 1 -5.966 -25.631 -9.979 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.098 -25.590 -13.090 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.188 -24.695 -11.650 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.697 -24.887 -12.439 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.524 -27.439 -12.060 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.305 -26.594 -11.127 1.00 0.00 H new ATOM 8 N SER A 2 -5.172 -27.691 -9.461 1.00 0.00 N ATOM 9 CA SER A 2 -5.773 -27.855 -8.140 1.00 0.00 C ATOM 10 C SER A 2 -7.309 -27.844 -8.191 1.00 0.00 C ATOM 11 O SER A 2 -7.951 -26.797 -8.255 1.00 0.00 O ATOM 12 CB SER A 2 -5.200 -26.813 -7.173 1.00 0.00 C ATOM 13 OG SER A 2 -3.780 -26.738 -7.246 1.00 0.00 O ATOM 0 H SER A 2 -4.663 -28.522 -9.762 1.00 0.00 H new ATOM 0 HA SER A 2 -5.509 -28.842 -7.761 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.626 -25.836 -7.400 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.498 -27.062 -6.154 1.00 0.00 H new ATOM 0 HG SER A 2 -3.455 -26.061 -6.616 1.00 0.00 H new ATOM 19 N SER A 3 -7.910 -29.032 -8.208 1.00 0.00 N ATOM 20 CA SER A 3 -9.358 -29.211 -8.217 1.00 0.00 C ATOM 21 C SER A 3 -9.958 -28.962 -6.823 1.00 0.00 C ATOM 22 O SER A 3 -9.233 -28.844 -5.827 1.00 0.00 O ATOM 23 CB SER A 3 -9.657 -30.606 -8.776 1.00 0.00 C ATOM 24 OG SER A 3 -9.198 -30.631 -10.120 1.00 0.00 O ATOM 0 H SER A 3 -7.394 -29.912 -8.216 1.00 0.00 H new ATOM 0 HA SER A 3 -9.837 -28.474 -8.862 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.156 -31.372 -8.185 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.725 -30.817 -8.731 1.00 0.00 H new ATOM 0 HG SER A 3 -9.373 -31.513 -10.509 1.00 0.00 H new ATOM 30 N GLY A 4 -11.291 -28.872 -6.744 1.00 0.00 N ATOM 31 CA GLY A 4 -11.993 -28.476 -5.529 1.00 0.00 C ATOM 32 C GLY A 4 -11.716 -27.014 -5.173 1.00 0.00 C ATOM 33 O GLY A 4 -10.975 -26.325 -5.874 1.00 0.00 O ATOM 0 H GLY A 4 -11.911 -29.074 -7.528 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.065 -28.622 -5.663 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.684 -29.117 -4.704 1.00 0.00 H new ATOM 37 N SER A 5 -12.304 -26.538 -4.074 1.00 0.00 N ATOM 38 CA SER A 5 -12.235 -25.148 -3.620 1.00 0.00 C ATOM 39 C SER A 5 -12.759 -24.127 -4.647 1.00 0.00 C ATOM 40 O SER A 5 -13.056 -24.445 -5.804 1.00 0.00 O ATOM 41 CB SER A 5 -10.792 -24.802 -3.205 1.00 0.00 C ATOM 42 OG SER A 5 -10.318 -25.654 -2.175 1.00 0.00 O ATOM 0 H SER A 5 -12.859 -27.129 -3.455 1.00 0.00 H new ATOM 0 HA SER A 5 -12.902 -25.073 -2.761 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.136 -24.881 -4.072 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.750 -23.766 -2.867 1.00 0.00 H new ATOM 0 HG SER A 5 -9.400 -25.404 -1.941 1.00 0.00 H new ATOM 48 N SER A 6 -12.882 -22.878 -4.204 1.00 0.00 N ATOM 49 CA SER A 6 -12.937 -21.669 -5.008 1.00 0.00 C ATOM 50 C SER A 6 -12.624 -20.496 -4.065 1.00 0.00 C ATOM 51 O SER A 6 -12.509 -20.679 -2.847 1.00 0.00 O ATOM 52 CB SER A 6 -14.315 -21.521 -5.671 1.00 0.00 C ATOM 53 OG SER A 6 -14.341 -20.393 -6.524 1.00 0.00 O ATOM 0 H SER A 6 -12.950 -22.675 -3.207 1.00 0.00 H new ATOM 0 HA SER A 6 -12.212 -21.699 -5.821 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.548 -22.420 -6.242 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.084 -21.422 -4.905 1.00 0.00 H new ATOM 0 HG SER A 6 -15.226 -20.316 -6.938 1.00 0.00 H new ATOM 59 N GLY A 7 -12.483 -19.299 -4.626 1.00 0.00 N ATOM 60 CA GLY A 7 -12.332 -18.033 -3.922 1.00 0.00 C ATOM 61 C GLY A 7 -11.305 -17.164 -4.636 1.00 0.00 C ATOM 62 O GLY A 7 -11.488 -15.958 -4.804 1.00 0.00 O ATOM 0 H GLY A 7 -12.471 -19.181 -5.639 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.290 -17.516 -3.876 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.017 -18.213 -2.894 1.00 0.00 H new ATOM 66 N SER A 8 -10.232 -17.792 -5.117 1.00 0.00 N ATOM 67 CA SER A 8 -9.335 -17.194 -6.083 1.00 0.00 C ATOM 68 C SER A 8 -9.981 -17.197 -7.469 1.00 0.00 C ATOM 69 O SER A 8 -9.750 -18.108 -8.258 1.00 0.00 O ATOM 70 CB SER A 8 -8.007 -17.945 -6.064 1.00 0.00 C ATOM 71 OG SER A 8 -7.278 -17.546 -4.913 1.00 0.00 O ATOM 0 H SER A 8 -9.966 -18.737 -4.840 1.00 0.00 H new ATOM 0 HA SER A 8 -9.138 -16.154 -5.823 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.181 -19.021 -6.048 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.437 -17.728 -6.967 1.00 0.00 H new ATOM 0 HG SER A 8 -6.422 -18.022 -4.887 1.00 0.00 H new ATOM 77 N LEU A 9 -10.781 -16.170 -7.765 1.00 0.00 N ATOM 78 CA LEU A 9 -11.383 -15.925 -9.069 1.00 0.00 C ATOM 79 C LEU A 9 -11.119 -14.481 -9.464 1.00 0.00 C ATOM 80 O LEU A 9 -11.967 -13.606 -9.314 1.00 0.00 O ATOM 81 CB LEU A 9 -12.882 -16.267 -9.071 1.00 0.00 C ATOM 82 CG LEU A 9 -13.179 -17.776 -9.032 1.00 0.00 C ATOM 83 CD1 LEU A 9 -14.693 -17.984 -9.104 1.00 0.00 C ATOM 84 CD2 LEU A 9 -12.495 -18.512 -10.196 1.00 0.00 C ATOM 0 H LEU A 9 -11.034 -15.463 -7.075 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.928 -16.580 -9.812 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.354 -15.792 -8.211 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.341 -15.840 -9.963 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.785 -18.187 -8.102 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.915 -19.051 -9.077 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.169 -17.493 -8.255 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.075 -17.557 -10.031 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.725 -19.576 -10.139 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.858 -18.112 -11.143 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.416 -18.370 -10.132 1.00 0.00 H new ATOM 96 N GLN A 10 -9.909 -14.257 -9.977 1.00 0.00 N ATOM 97 CA GLN A 10 -9.395 -12.985 -10.465 1.00 0.00 C ATOM 98 C GLN A 10 -9.352 -11.909 -9.378 1.00 0.00 C ATOM 99 O GLN A 10 -9.794 -12.094 -8.239 1.00 0.00 O ATOM 100 CB GLN A 10 -10.173 -12.580 -11.732 1.00 0.00 C ATOM 101 CG GLN A 10 -9.422 -11.647 -12.694 1.00 0.00 C ATOM 102 CD GLN A 10 -9.831 -11.935 -14.136 1.00 0.00 C ATOM 103 OE1 GLN A 10 -9.066 -12.509 -14.908 1.00 0.00 O ATOM 104 NE2 GLN A 10 -11.062 -11.629 -14.512 1.00 0.00 N ATOM 0 H GLN A 10 -9.223 -15.007 -10.067 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.349 -13.102 -10.747 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -10.451 -13.485 -12.273 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.100 -12.093 -11.429 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.639 -10.608 -12.448 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.347 -11.784 -12.579 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.690 -11.153 -13.864 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -11.383 -11.870 -15.450 1.00 0.00 H new ATOM 113 N THR A 11 -8.746 -10.783 -9.717 1.00 0.00 N ATOM 114 CA THR A 11 -8.404 -9.738 -8.779 1.00 0.00 C ATOM 115 C THR A 11 -9.188 -8.480 -9.131 1.00 0.00 C ATOM 116 O THR A 11 -9.696 -8.318 -10.249 1.00 0.00 O ATOM 117 CB THR A 11 -6.883 -9.546 -8.829 1.00 0.00 C ATOM 118 OG1 THR A 11 -6.439 -9.398 -10.163 1.00 0.00 O ATOM 119 CG2 THR A 11 -6.157 -10.767 -8.258 1.00 0.00 C ATOM 0 H THR A 11 -8.474 -10.570 -10.677 1.00 0.00 H new ATOM 0 HA THR A 11 -8.674 -9.994 -7.754 1.00 0.00 H new ATOM 0 HB THR A 11 -6.661 -8.654 -8.243 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.467 -9.275 -10.172 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.080 -10.605 -8.305 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.456 -10.916 -7.221 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.417 -11.650 -8.841 1.00 0.00 H new ATOM 127 N SER A 12 -9.274 -7.573 -8.171 1.00 0.00 N ATOM 128 CA SER A 12 -9.858 -6.263 -8.321 1.00 0.00 C ATOM 129 C SER A 12 -8.753 -5.287 -7.970 1.00 0.00 C ATOM 130 O SER A 12 -7.917 -5.574 -7.112 1.00 0.00 O ATOM 131 CB SER A 12 -11.036 -6.153 -7.362 1.00 0.00 C ATOM 132 OG SER A 12 -12.089 -7.002 -7.787 1.00 0.00 O ATOM 0 H SER A 12 -8.922 -7.743 -7.229 1.00 0.00 H new ATOM 0 HA SER A 12 -10.233 -6.063 -9.325 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.722 -6.426 -6.355 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.385 -5.121 -7.318 1.00 0.00 H new ATOM 0 HG SER A 12 -12.949 -6.619 -7.514 1.00 0.00 H new ATOM 138 N ASP A 13 -8.755 -4.139 -8.625 1.00 0.00 N ATOM 139 CA ASP A 13 -7.730 -3.118 -8.493 1.00 0.00 C ATOM 140 C ASP A 13 -8.405 -1.843 -8.019 1.00 0.00 C ATOM 141 O ASP A 13 -9.479 -1.467 -8.491 1.00 0.00 O ATOM 142 CB ASP A 13 -6.944 -2.927 -9.798 1.00 0.00 C ATOM 143 CG ASP A 13 -7.658 -2.044 -10.826 1.00 0.00 C ATOM 144 OD1 ASP A 13 -8.739 -2.428 -11.328 1.00 0.00 O ATOM 145 OD2 ASP A 13 -7.114 -0.959 -11.144 1.00 0.00 O ATOM 0 H ASP A 13 -9.492 -3.884 -9.283 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.985 -3.423 -7.759 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.974 -2.487 -9.566 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.753 -3.904 -10.242 1.00 0.00 H new ATOM 150 N VAL A 14 -7.831 -1.227 -6.999 1.00 0.00 N ATOM 151 CA VAL A 14 -8.409 -0.089 -6.321 1.00 0.00 C ATOM 152 C VAL A 14 -7.295 0.941 -6.294 1.00 0.00 C ATOM 153 O VAL A 14 -6.397 0.855 -5.458 1.00 0.00 O ATOM 154 CB VAL A 14 -8.944 -0.519 -4.933 1.00 0.00 C ATOM 155 CG1 VAL A 14 -9.707 0.644 -4.298 1.00 0.00 C ATOM 156 CG2 VAL A 14 -9.883 -1.737 -5.019 1.00 0.00 C ATOM 0 H VAL A 14 -6.931 -1.514 -6.614 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.282 0.339 -6.814 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.082 -0.799 -4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.084 0.342 -3.321 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.039 1.497 -4.181 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.543 0.924 -4.939 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.231 -1.999 -4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.738 -1.493 -5.649 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.345 -2.582 -5.449 1.00 0.00 H new ATOM 166 N VAL A 15 -7.296 1.840 -7.280 1.00 0.00 N ATOM 167 CA VAL A 15 -6.310 2.896 -7.389 1.00 0.00 C ATOM 168 C VAL A 15 -6.907 4.139 -6.727 1.00 0.00 C ATOM 169 O VAL A 15 -7.834 4.767 -7.232 1.00 0.00 O ATOM 170 CB VAL A 15 -5.788 3.032 -8.832 1.00 0.00 C ATOM 171 CG1 VAL A 15 -6.825 3.546 -9.829 1.00 0.00 C ATOM 172 CG2 VAL A 15 -4.517 3.890 -8.859 1.00 0.00 C ATOM 0 H VAL A 15 -7.990 1.848 -8.027 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.388 2.679 -6.849 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.552 2.022 -9.165 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.376 3.612 -10.820 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.672 2.860 -9.860 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.169 4.533 -9.520 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.159 3.978 -9.885 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.739 4.882 -8.466 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.748 3.421 -8.245 1.00 0.00 H new ATOM 182 N ILE A 16 -6.428 4.432 -5.525 1.00 0.00 N ATOM 183 CA ILE A 16 -6.863 5.575 -4.734 1.00 0.00 C ATOM 184 C ILE A 16 -5.771 6.617 -4.901 1.00 0.00 C ATOM 185 O ILE A 16 -4.593 6.283 -4.763 1.00 0.00 O ATOM 186 CB ILE A 16 -7.059 5.185 -3.253 1.00 0.00 C ATOM 187 CG1 ILE A 16 -8.091 4.045 -3.110 1.00 0.00 C ATOM 188 CG2 ILE A 16 -7.536 6.402 -2.434 1.00 0.00 C ATOM 189 CD1 ILE A 16 -7.936 3.259 -1.808 1.00 0.00 C ATOM 0 H ILE A 16 -5.712 3.870 -5.064 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.829 5.956 -5.066 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.097 4.842 -2.873 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.096 4.464 -3.157 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.990 3.363 -3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.669 6.110 -1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -6.792 7.196 -2.496 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.484 6.761 -2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.689 2.472 -1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.942 2.813 -1.769 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.066 3.931 -0.960 1.00 0.00 H new ATOM 201 N HIS A 17 -6.157 7.862 -5.161 1.00 0.00 N ATOM 202 CA HIS A 17 -5.258 8.989 -5.357 1.00 0.00 C ATOM 203 C HIS A 17 -5.420 9.950 -4.172 1.00 0.00 C ATOM 204 O HIS A 17 -6.516 10.052 -3.615 1.00 0.00 O ATOM 205 CB HIS A 17 -5.591 9.650 -6.699 1.00 0.00 C ATOM 206 CG HIS A 17 -5.522 8.700 -7.878 1.00 0.00 C ATOM 207 ND1 HIS A 17 -4.493 8.615 -8.787 1.00 0.00 N ATOM 208 CD2 HIS A 17 -6.462 7.773 -8.242 1.00 0.00 C ATOM 209 CE1 HIS A 17 -4.810 7.676 -9.693 1.00 0.00 C ATOM 210 NE2 HIS A 17 -6.015 7.152 -9.415 1.00 0.00 N ATOM 0 H HIS A 17 -7.140 8.121 -5.244 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.215 8.675 -5.392 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -6.593 10.077 -6.645 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.901 10.476 -6.868 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -3.637 9.170 -8.775 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.382 7.559 -7.719 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.186 7.384 -10.525 1.00 0.00 H new ATOM 218 N ARG A 18 -4.374 10.680 -3.767 1.00 0.00 N ATOM 219 CA ARG A 18 -4.465 11.663 -2.680 1.00 0.00 C ATOM 220 C ARG A 18 -3.683 12.918 -3.031 1.00 0.00 C ATOM 221 O ARG A 18 -3.150 13.045 -4.133 1.00 0.00 O ATOM 222 CB ARG A 18 -4.027 11.061 -1.333 1.00 0.00 C ATOM 223 CG ARG A 18 -2.535 10.688 -1.232 1.00 0.00 C ATOM 224 CD ARG A 18 -2.213 10.248 0.198 1.00 0.00 C ATOM 225 NE ARG A 18 -0.769 10.069 0.434 1.00 0.00 N ATOM 226 CZ ARG A 18 -0.239 9.371 1.447 1.00 0.00 C ATOM 227 NH1 ARG A 18 -0.993 8.579 2.199 1.00 0.00 N ATOM 228 NH2 ARG A 18 1.048 9.449 1.737 1.00 0.00 N ATOM 0 H ARG A 18 -3.445 10.607 -4.181 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.511 11.948 -2.563 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.261 11.774 -0.542 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.622 10.167 -1.143 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.302 9.885 -1.932 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.916 11.542 -1.509 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.601 10.990 0.896 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.729 9.311 0.409 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.125 10.510 -0.223 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.992 8.495 2.009 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.574 8.054 2.967 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.660 10.050 1.185 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.430 8.908 2.513 1.00 0.00 H new ATOM 242 N LYS A 19 -3.638 13.871 -2.105 1.00 0.00 N ATOM 243 CA LYS A 19 -2.753 15.018 -2.177 1.00 0.00 C ATOM 244 C LYS A 19 -1.494 14.667 -1.389 1.00 0.00 C ATOM 245 O LYS A 19 -1.553 13.855 -0.465 1.00 0.00 O ATOM 246 CB LYS A 19 -3.483 16.229 -1.594 1.00 0.00 C ATOM 247 CG LYS A 19 -4.584 16.839 -2.482 1.00 0.00 C ATOM 248 CD LYS A 19 -5.569 15.935 -3.259 1.00 0.00 C ATOM 249 CE LYS A 19 -6.555 15.085 -2.439 1.00 0.00 C ATOM 250 NZ LYS A 19 -7.458 15.902 -1.609 1.00 0.00 N ATOM 0 H LYS A 19 -4.227 13.863 -1.272 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.469 15.265 -3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.929 15.937 -0.643 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.747 17.003 -1.377 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.182 17.492 -1.846 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.088 17.475 -3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.149 16.569 -3.929 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.984 15.261 -3.885 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.148 14.470 -3.116 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.995 14.404 -1.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.201 15.795 -0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.372 16.902 -1.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.439 15.587 -1.750 1.00 0.00 H new ATOM 264 N GLU A 20 -0.362 15.276 -1.739 1.00 0.00 N ATOM 265 CA GLU A 20 0.945 14.889 -1.194 1.00 0.00 C ATOM 266 C GLU A 20 0.990 15.078 0.328 1.00 0.00 C ATOM 267 O GLU A 20 1.700 14.369 1.039 1.00 0.00 O ATOM 268 CB GLU A 20 2.080 15.722 -1.837 1.00 0.00 C ATOM 269 CG GLU A 20 3.197 14.901 -2.505 1.00 0.00 C ATOM 270 CD GLU A 20 3.827 13.806 -1.628 1.00 0.00 C ATOM 271 OE1 GLU A 20 3.281 12.679 -1.568 1.00 0.00 O ATOM 272 OE2 GLU A 20 4.883 14.056 -0.994 1.00 0.00 O ATOM 0 H GLU A 20 -0.321 16.048 -2.405 1.00 0.00 H new ATOM 0 HA GLU A 20 1.091 13.834 -1.428 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.644 16.386 -2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.525 16.354 -1.069 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.794 14.435 -3.404 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.984 15.584 -2.825 1.00 0.00 H new ATOM 279 N ASN A 21 0.269 16.087 0.819 1.00 0.00 N ATOM 280 CA ASN A 21 0.426 16.647 2.156 1.00 0.00 C ATOM 281 C ASN A 21 -0.443 15.943 3.206 1.00 0.00 C ATOM 282 O ASN A 21 -0.478 16.384 4.357 1.00 0.00 O ATOM 283 CB ASN A 21 0.088 18.146 2.082 1.00 0.00 C ATOM 284 CG ASN A 21 0.858 18.989 3.088 1.00 0.00 C ATOM 285 OD1 ASN A 21 1.727 19.758 2.693 1.00 0.00 O ATOM 286 ND2 ASN A 21 0.522 18.952 4.368 1.00 0.00 N ATOM 0 H ASN A 21 -0.462 16.549 0.278 1.00 0.00 H new ATOM 0 HA ASN A 21 1.456 16.496 2.479 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.300 18.510 1.077 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.981 18.279 2.250 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.988 19.567 5.035 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.202 18.309 4.687 1.00 0.00 H new ATOM 293 N GLU A 22 -1.178 14.888 2.851 1.00 0.00 N ATOM 294 CA GLU A 22 -2.179 14.264 3.715 1.00 0.00 C ATOM 295 C GLU A 22 -2.135 12.736 3.600 1.00 0.00 C ATOM 296 O GLU A 22 -1.334 12.175 2.846 1.00 0.00 O ATOM 297 CB GLU A 22 -3.563 14.863 3.394 1.00 0.00 C ATOM 298 CG GLU A 22 -4.082 14.512 1.995 1.00 0.00 C ATOM 299 CD GLU A 22 -5.447 15.130 1.665 1.00 0.00 C ATOM 300 OE1 GLU A 22 -6.057 15.879 2.473 1.00 0.00 O ATOM 301 OE2 GLU A 22 -5.934 14.885 0.538 1.00 0.00 O ATOM 0 H GLU A 22 -1.092 14.437 1.940 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.959 14.481 4.760 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.281 14.512 4.136 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.510 15.947 3.490 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.355 14.845 1.254 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.154 13.428 1.906 1.00 0.00 H new ATOM 308 N GLY A 23 -2.969 12.043 4.374 1.00 0.00 N ATOM 309 CA GLY A 23 -3.087 10.593 4.335 1.00 0.00 C ATOM 310 C GLY A 23 -4.125 10.140 3.313 1.00 0.00 C ATOM 311 O GLY A 23 -5.003 10.907 2.910 1.00 0.00 O ATOM 0 H GLY A 23 -3.589 12.483 5.054 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.119 10.155 4.090 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.363 10.223 5.323 1.00 0.00 H new ATOM 315 N PHE A 24 -4.091 8.857 2.942 1.00 0.00 N ATOM 316 CA PHE A 24 -5.277 8.179 2.446 1.00 0.00 C ATOM 317 C PHE A 24 -6.149 7.892 3.666 1.00 0.00 C ATOM 318 O PHE A 24 -5.657 7.815 4.797 1.00 0.00 O ATOM 319 CB PHE A 24 -4.922 6.845 1.780 1.00 0.00 C ATOM 320 CG PHE A 24 -3.971 6.902 0.606 1.00 0.00 C ATOM 321 CD1 PHE A 24 -4.433 7.364 -0.638 1.00 0.00 C ATOM 322 CD2 PHE A 24 -2.645 6.445 0.733 1.00 0.00 C ATOM 323 CE1 PHE A 24 -3.569 7.380 -1.743 1.00 0.00 C ATOM 324 CE2 PHE A 24 -1.775 6.487 -0.373 1.00 0.00 C ATOM 325 CZ PHE A 24 -2.236 6.952 -1.616 1.00 0.00 C ATOM 0 H PHE A 24 -3.255 8.274 2.978 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.778 8.801 1.704 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.488 6.192 2.537 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.847 6.375 1.446 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.452 7.706 -0.743 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.295 6.062 1.680 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.931 7.724 -2.700 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.751 6.161 -0.266 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.572 6.980 -2.467 1.00 0.00 H new ATOM 335 N GLY A 25 -7.425 7.634 3.441 1.00 0.00 N ATOM 336 CA GLY A 25 -8.350 7.322 4.512 1.00 0.00 C ATOM 337 C GLY A 25 -8.597 5.828 4.611 1.00 0.00 C ATOM 338 O GLY A 25 -9.741 5.437 4.460 1.00 0.00 O ATOM 0 H GLY A 25 -7.847 7.635 2.512 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.952 7.690 5.458 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.295 7.838 4.341 1.00 0.00 H new ATOM 342 N PHE A 26 -7.576 4.986 4.813 1.00 0.00 N ATOM 343 CA PHE A 26 -7.809 3.574 5.130 1.00 0.00 C ATOM 344 C PHE A 26 -6.778 3.073 6.139 1.00 0.00 C ATOM 345 O PHE A 26 -5.593 3.410 6.033 1.00 0.00 O ATOM 346 CB PHE A 26 -7.851 2.713 3.853 1.00 0.00 C ATOM 347 CG PHE A 26 -6.524 2.492 3.150 1.00 0.00 C ATOM 348 CD1 PHE A 26 -5.995 3.495 2.319 1.00 0.00 C ATOM 349 CD2 PHE A 26 -5.833 1.274 3.292 1.00 0.00 C ATOM 350 CE1 PHE A 26 -4.760 3.309 1.672 1.00 0.00 C ATOM 351 CE2 PHE A 26 -4.601 1.086 2.643 1.00 0.00 C ATOM 352 CZ PHE A 26 -4.047 2.114 1.859 1.00 0.00 C ATOM 0 H PHE A 26 -6.593 5.254 4.763 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.789 3.481 5.597 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.269 1.740 4.110 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.539 3.179 3.148 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.541 4.416 2.176 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.250 0.484 3.900 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.361 4.083 1.033 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.077 0.147 2.747 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.077 1.985 1.403 1.00 0.00 H new ATOM 362 N VAL A 27 -7.198 2.229 7.083 1.00 0.00 N ATOM 363 CA VAL A 27 -6.334 1.495 8.003 1.00 0.00 C ATOM 364 C VAL A 27 -6.305 0.047 7.526 1.00 0.00 C ATOM 365 O VAL A 27 -7.366 -0.512 7.235 1.00 0.00 O ATOM 366 CB VAL A 27 -6.873 1.565 9.452 1.00 0.00 C ATOM 367 CG1 VAL A 27 -5.931 0.872 10.446 1.00 0.00 C ATOM 368 CG2 VAL A 27 -7.061 3.005 9.934 1.00 0.00 C ATOM 0 H VAL A 27 -8.188 2.032 7.232 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.335 1.931 8.010 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.836 1.055 9.422 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.346 0.944 11.451 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.822 -0.178 10.173 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.955 1.357 10.421 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.441 3.000 10.956 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.104 3.526 9.905 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.772 3.516 9.285 1.00 0.00 H new ATOM 378 N ILE A 28 -5.126 -0.577 7.491 1.00 0.00 N ATOM 379 CA ILE A 28 -4.996 -2.022 7.422 1.00 0.00 C ATOM 380 C ILE A 28 -4.782 -2.504 8.858 1.00 0.00 C ATOM 381 O ILE A 28 -3.925 -1.962 9.570 1.00 0.00 O ATOM 382 CB ILE A 28 -3.826 -2.442 6.508 1.00 0.00 C ATOM 383 CG1 ILE A 28 -3.855 -1.711 5.144 1.00 0.00 C ATOM 384 CG2 ILE A 28 -3.896 -3.961 6.319 1.00 0.00 C ATOM 385 CD1 ILE A 28 -2.700 -2.094 4.212 1.00 0.00 C ATOM 0 H ILE A 28 -4.233 -0.085 7.510 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.889 -2.472 6.987 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.885 -2.160 6.980 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.799 -1.929 4.645 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.828 -0.635 5.318 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.078 -4.286 5.675 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.812 -4.453 7.288 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.848 -4.227 5.859 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.789 -1.541 3.277 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.751 -1.850 4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.738 -3.164 4.006 1.00 0.00 H new ATOM 397 N ILE A 29 -5.549 -3.509 9.268 1.00 0.00 N ATOM 398 CA ILE A 29 -5.463 -4.197 10.538 1.00 0.00 C ATOM 399 C ILE A 29 -5.241 -5.691 10.274 1.00 0.00 C ATOM 400 O ILE A 29 -5.262 -6.130 9.120 1.00 0.00 O ATOM 401 CB ILE A 29 -6.748 -3.938 11.352 1.00 0.00 C ATOM 402 CG1 ILE A 29 -8.010 -4.616 10.773 1.00 0.00 C ATOM 403 CG2 ILE A 29 -6.980 -2.432 11.537 1.00 0.00 C ATOM 404 CD1 ILE A 29 -9.199 -4.566 11.739 1.00 0.00 C ATOM 0 H ILE A 29 -6.293 -3.884 8.679 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.623 -3.825 11.125 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.580 -4.403 12.323 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.285 -4.127 9.838 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.783 -5.655 10.535 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.891 -2.272 12.114 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.134 -1.996 12.068 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.080 -1.957 10.561 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.059 -5.056 11.283 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.938 -5.079 12.665 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.447 -3.527 11.957 1.00 0.00 H new ATOM 416 N SER A 30 -5.113 -6.461 11.352 1.00 0.00 N ATOM 417 CA SER A 30 -5.080 -7.914 11.370 1.00 0.00 C ATOM 418 C SER A 30 -6.224 -8.440 12.248 1.00 0.00 C ATOM 419 O SER A 30 -6.866 -7.666 12.968 1.00 0.00 O ATOM 420 CB SER A 30 -3.693 -8.355 11.869 1.00 0.00 C ATOM 421 OG SER A 30 -3.329 -7.702 13.084 1.00 0.00 O ATOM 0 H SER A 30 -5.025 -6.062 12.286 1.00 0.00 H new ATOM 0 HA SER A 30 -5.230 -8.331 10.374 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.689 -9.434 12.022 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.947 -8.139 11.104 1.00 0.00 H new ATOM 0 HG SER A 30 -2.443 -8.010 13.368 1.00 0.00 H new ATOM 427 N SER A 31 -6.472 -9.749 12.217 1.00 0.00 N ATOM 428 CA SER A 31 -7.213 -10.509 13.218 1.00 0.00 C ATOM 429 C SER A 31 -6.276 -11.603 13.759 1.00 0.00 C ATOM 430 O SER A 31 -5.069 -11.579 13.480 1.00 0.00 O ATOM 431 CB SER A 31 -8.507 -11.064 12.599 1.00 0.00 C ATOM 432 OG SER A 31 -9.384 -10.022 12.194 1.00 0.00 O ATOM 0 H SER A 31 -6.143 -10.337 11.451 1.00 0.00 H new ATOM 0 HA SER A 31 -7.526 -9.884 14.054 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.261 -11.688 11.739 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.012 -11.704 13.323 1.00 0.00 H new ATOM 0 HG SER A 31 -10.195 -10.410 11.804 1.00 0.00 H new ATOM 438 N LEU A 32 -6.784 -12.519 14.593 1.00 0.00 N ATOM 439 CA LEU A 32 -5.981 -13.626 15.112 1.00 0.00 C ATOM 440 C LEU A 32 -5.545 -14.524 13.960 1.00 0.00 C ATOM 441 O LEU A 32 -6.381 -14.972 13.167 1.00 0.00 O ATOM 442 CB LEU A 32 -6.742 -14.457 16.157 1.00 0.00 C ATOM 443 CG LEU A 32 -6.455 -14.020 17.604 1.00 0.00 C ATOM 444 CD1 LEU A 32 -6.813 -12.554 17.877 1.00 0.00 C ATOM 445 CD2 LEU A 32 -7.247 -14.924 18.550 1.00 0.00 C ATOM 0 H LEU A 32 -7.750 -12.513 14.922 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.110 -13.197 15.607 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.812 -14.378 15.966 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.475 -15.507 16.042 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.382 -14.113 17.769 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.586 -12.311 18.915 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.232 -11.909 17.218 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.876 -12.399 17.692 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.055 -14.628 19.581 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.312 -14.829 18.337 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.939 -15.960 18.406 1.00 0.00 H new ATOM 457 N ASN A 33 -4.240 -14.779 13.914 1.00 0.00 N ATOM 458 CA ASN A 33 -3.603 -15.762 13.048 1.00 0.00 C ATOM 459 C ASN A 33 -4.030 -17.185 13.451 1.00 0.00 C ATOM 460 O ASN A 33 -4.662 -17.379 14.490 1.00 0.00 O ATOM 461 CB ASN A 33 -2.084 -15.542 13.147 1.00 0.00 C ATOM 462 CG ASN A 33 -1.285 -16.258 12.068 1.00 0.00 C ATOM 463 OD1 ASN A 33 -0.569 -17.218 12.336 1.00 0.00 O ATOM 464 ND2 ASN A 33 -1.387 -15.814 10.829 1.00 0.00 N ATOM 0 H ASN A 33 -3.571 -14.285 14.505 1.00 0.00 H new ATOM 0 HA ASN A 33 -3.911 -15.642 12.009 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.877 -14.473 13.089 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.741 -15.881 14.124 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.867 -16.270 10.079 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.986 -15.015 10.621 1.00 0.00 H new ATOM 471 N ARG A 34 -3.682 -18.203 12.657 1.00 0.00 N ATOM 472 CA ARG A 34 -3.889 -19.616 12.978 1.00 0.00 C ATOM 473 C ARG A 34 -2.592 -20.365 12.675 1.00 0.00 C ATOM 474 O ARG A 34 -1.906 -19.997 11.713 1.00 0.00 O ATOM 475 CB ARG A 34 -5.027 -20.243 12.151 1.00 0.00 C ATOM 476 CG ARG A 34 -6.416 -20.241 12.805 1.00 0.00 C ATOM 477 CD ARG A 34 -7.217 -18.943 12.626 1.00 0.00 C ATOM 478 NE ARG A 34 -8.657 -19.176 12.866 1.00 0.00 N ATOM 479 CZ ARG A 34 -9.535 -19.720 12.011 1.00 0.00 C ATOM 480 NH1 ARG A 34 -9.144 -20.082 10.792 1.00 0.00 N ATOM 481 NH2 ARG A 34 -10.805 -19.913 12.359 1.00 0.00 N ATOM 0 H ARG A 34 -3.237 -18.062 11.750 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.166 -19.691 14.030 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.094 -19.712 11.201 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.757 -21.274 11.922 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.996 -21.067 12.394 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.299 -20.434 13.871 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.847 -18.184 13.316 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.070 -18.556 11.618 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.020 -18.894 13.776 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.174 -19.946 10.506 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.814 -20.496 10.143 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.125 -19.646 13.290 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.458 -20.328 11.695 1.00 0.00 H new ATOM 495 N PRO A 35 -2.280 -21.433 13.428 1.00 0.00 N ATOM 496 CA PRO A 35 -1.129 -22.283 13.190 1.00 0.00 C ATOM 497 C PRO A 35 -1.485 -23.275 12.074 1.00 0.00 C ATOM 498 O PRO A 35 -1.878 -24.413 12.328 1.00 0.00 O ATOM 499 CB PRO A 35 -0.860 -22.929 14.553 1.00 0.00 C ATOM 500 CG PRO A 35 -2.262 -23.121 15.133 1.00 0.00 C ATOM 501 CD PRO A 35 -3.053 -21.943 14.555 1.00 0.00 C ATOM 0 HA PRO A 35 -0.230 -21.773 12.844 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.333 -23.878 14.452 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.246 -22.290 15.187 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.692 -24.077 14.836 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.252 -23.101 16.223 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.044 -22.263 14.232 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.198 -21.168 15.307 1.00 0.00 H new ATOM 509 N GLU A 36 -1.398 -22.824 10.829 1.00 0.00 N ATOM 510 CA GLU A 36 -1.622 -23.588 9.605 1.00 0.00 C ATOM 511 C GLU A 36 -0.503 -23.211 8.639 1.00 0.00 C ATOM 512 O GLU A 36 0.130 -22.163 8.813 1.00 0.00 O ATOM 513 CB GLU A 36 -2.991 -23.223 9.002 1.00 0.00 C ATOM 514 CG GLU A 36 -4.148 -24.026 9.601 1.00 0.00 C ATOM 515 CD GLU A 36 -4.180 -25.499 9.161 1.00 0.00 C ATOM 516 OE1 GLU A 36 -4.017 -25.789 7.951 1.00 0.00 O ATOM 517 OE2 GLU A 36 -4.463 -26.372 10.013 1.00 0.00 O ATOM 0 H GLU A 36 -1.154 -21.853 10.633 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.620 -24.660 9.803 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.177 -22.160 9.156 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.962 -23.388 7.925 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.082 -23.983 10.688 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.089 -23.553 9.320 1.00 0.00 H new ATOM 524 N SER A 37 -0.250 -24.036 7.628 1.00 0.00 N ATOM 525 CA SER A 37 0.849 -23.844 6.695 1.00 0.00 C ATOM 526 C SER A 37 0.443 -24.279 5.285 1.00 0.00 C ATOM 527 O SER A 37 -0.606 -24.904 5.090 1.00 0.00 O ATOM 528 CB SER A 37 2.086 -24.582 7.229 1.00 0.00 C ATOM 529 OG SER A 37 1.791 -25.904 7.647 1.00 0.00 O ATOM 0 H SER A 37 -0.810 -24.866 7.433 1.00 0.00 H new ATOM 0 HA SER A 37 1.103 -22.787 6.615 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.850 -24.612 6.453 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.504 -24.024 8.067 1.00 0.00 H new ATOM 0 HG SER A 37 2.608 -26.333 7.977 1.00 0.00 H new ATOM 535 N GLY A 38 1.287 -23.964 4.300 1.00 0.00 N ATOM 536 CA GLY A 38 1.075 -24.301 2.906 1.00 0.00 C ATOM 537 C GLY A 38 0.004 -23.417 2.290 1.00 0.00 C ATOM 538 O GLY A 38 0.330 -22.448 1.597 1.00 0.00 O ATOM 0 H GLY A 38 2.156 -23.455 4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.008 -24.186 2.354 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.781 -25.347 2.822 1.00 0.00 H new ATOM 542 N SER A 39 -1.264 -23.737 2.521 1.00 0.00 N ATOM 543 CA SER A 39 -2.367 -22.868 2.151 1.00 0.00 C ATOM 544 C SER A 39 -2.329 -21.573 2.969 1.00 0.00 C ATOM 545 O SER A 39 -1.598 -21.441 3.957 1.00 0.00 O ATOM 546 CB SER A 39 -3.694 -23.622 2.286 1.00 0.00 C ATOM 547 OG SER A 39 -3.990 -24.225 1.036 1.00 0.00 O ATOM 0 H SER A 39 -1.553 -24.606 2.970 1.00 0.00 H new ATOM 0 HA SER A 39 -2.270 -22.575 1.106 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.623 -24.380 3.066 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.492 -22.939 2.577 1.00 0.00 H new ATOM 0 HG SER A 39 -4.836 -24.715 1.101 1.00 0.00 H new ATOM 553 N THR A 40 -3.075 -20.580 2.499 1.00 0.00 N ATOM 554 CA THR A 40 -3.135 -19.249 3.068 1.00 0.00 C ATOM 555 C THR A 40 -4.598 -18.982 3.393 1.00 0.00 C ATOM 556 O THR A 40 -5.434 -18.797 2.501 1.00 0.00 O ATOM 557 CB THR A 40 -2.494 -18.252 2.094 1.00 0.00 C ATOM 558 OG1 THR A 40 -2.949 -18.484 0.767 1.00 0.00 O ATOM 559 CG2 THR A 40 -0.969 -18.412 2.114 1.00 0.00 C ATOM 0 H THR A 40 -3.675 -20.689 1.681 1.00 0.00 H new ATOM 0 HA THR A 40 -2.566 -19.143 3.991 1.00 0.00 H new ATOM 0 HB THR A 40 -2.775 -17.246 2.407 1.00 0.00 H new ATOM 0 HG1 THR A 40 -3.910 -18.677 0.780 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.519 -17.701 1.420 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.596 -18.222 3.121 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.706 -19.427 1.815 1.00 0.00 H new ATOM 567 N ILE A 41 -4.936 -19.098 4.670 1.00 0.00 N ATOM 568 CA ILE A 41 -6.298 -19.105 5.172 1.00 0.00 C ATOM 569 C ILE A 41 -6.534 -17.793 5.902 1.00 0.00 C ATOM 570 O ILE A 41 -7.393 -17.004 5.513 1.00 0.00 O ATOM 571 CB ILE A 41 -6.554 -20.346 6.061 1.00 0.00 C ATOM 572 CG1 ILE A 41 -6.176 -21.699 5.409 1.00 0.00 C ATOM 573 CG2 ILE A 41 -8.026 -20.347 6.510 1.00 0.00 C ATOM 574 CD1 ILE A 41 -6.863 -22.009 4.074 1.00 0.00 C ATOM 0 H ILE A 41 -4.241 -19.193 5.410 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.012 -19.182 4.352 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.887 -20.258 6.919 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.097 -21.718 5.254 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.411 -22.498 6.112 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.215 -21.218 7.137 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.234 -19.440 7.077 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.674 -20.383 5.634 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.526 -22.979 3.708 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -7.943 -22.031 4.217 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.609 -21.238 3.346 1.00 0.00 H new ATOM 586 N THR A 42 -5.791 -17.571 6.981 1.00 0.00 N ATOM 587 CA THR A 42 -5.925 -16.401 7.830 1.00 0.00 C ATOM 588 C THR A 42 -5.302 -15.214 7.095 1.00 0.00 C ATOM 589 O THR A 42 -4.087 -15.017 7.126 1.00 0.00 O ATOM 590 CB THR A 42 -5.351 -16.692 9.230 1.00 0.00 C ATOM 591 OG1 THR A 42 -5.294 -15.522 10.012 1.00 0.00 O ATOM 592 CG2 THR A 42 -3.983 -17.380 9.256 1.00 0.00 C ATOM 0 H THR A 42 -5.064 -18.215 7.293 1.00 0.00 H new ATOM 0 HA THR A 42 -6.967 -16.140 8.017 1.00 0.00 H new ATOM 0 HB THR A 42 -6.056 -17.408 9.652 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.843 -15.639 10.816 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.674 -17.537 10.290 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.050 -18.342 8.747 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.250 -16.752 8.750 1.00 0.00 H new ATOM 600 N VAL A 43 -6.120 -14.424 6.406 1.00 0.00 N ATOM 601 CA VAL A 43 -5.649 -13.250 5.691 1.00 0.00 C ATOM 602 C VAL A 43 -5.127 -12.232 6.720 1.00 0.00 C ATOM 603 O VAL A 43 -5.858 -11.870 7.640 1.00 0.00 O ATOM 604 CB VAL A 43 -6.769 -12.703 4.793 1.00 0.00 C ATOM 605 CG1 VAL A 43 -7.988 -12.243 5.599 1.00 0.00 C ATOM 606 CG2 VAL A 43 -6.265 -11.548 3.917 1.00 0.00 C ATOM 0 H VAL A 43 -7.125 -14.582 6.330 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.822 -13.493 5.024 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.079 -13.529 4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.752 -11.865 4.920 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.389 -13.084 6.164 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.691 -11.452 6.288 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.080 -11.182 3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.904 -10.740 4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.452 -11.901 3.282 1.00 0.00 H new ATOM 616 N PRO A 44 -3.872 -11.778 6.625 1.00 0.00 N ATOM 617 CA PRO A 44 -3.337 -10.807 7.559 1.00 0.00 C ATOM 618 C PRO A 44 -3.912 -9.423 7.255 1.00 0.00 C ATOM 619 O PRO A 44 -4.629 -8.856 8.069 1.00 0.00 O ATOM 620 CB PRO A 44 -1.825 -10.877 7.374 1.00 0.00 C ATOM 621 CG PRO A 44 -1.647 -11.302 5.912 1.00 0.00 C ATOM 622 CD PRO A 44 -2.885 -12.156 5.631 1.00 0.00 C ATOM 0 HA PRO A 44 -3.602 -11.011 8.596 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.354 -9.913 7.569 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.373 -11.597 8.056 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -1.596 -10.440 5.247 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.728 -11.870 5.769 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.260 -11.978 4.623 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.649 -13.218 5.701 1.00 0.00 H new ATOM 630 N HIS A 45 -3.569 -8.875 6.089 1.00 0.00 N ATOM 631 CA HIS A 45 -3.864 -7.520 5.675 1.00 0.00 C ATOM 632 C HIS A 45 -5.329 -7.422 5.244 1.00 0.00 C ATOM 633 O HIS A 45 -5.699 -7.810 4.130 1.00 0.00 O ATOM 634 CB HIS A 45 -2.903 -7.124 4.543 1.00 0.00 C ATOM 635 CG HIS A 45 -1.539 -6.662 5.007 1.00 0.00 C ATOM 636 ND1 HIS A 45 -0.624 -7.327 5.803 1.00 0.00 N ATOM 637 CD2 HIS A 45 -0.995 -5.443 4.705 1.00 0.00 C ATOM 638 CE1 HIS A 45 0.416 -6.497 5.997 1.00 0.00 C ATOM 639 NE2 HIS A 45 0.219 -5.329 5.369 1.00 0.00 N ATOM 0 H HIS A 45 -3.053 -9.396 5.380 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.719 -6.825 6.502 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.776 -7.977 3.877 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.362 -6.328 3.957 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -1.435 -4.697 4.060 1.00 0.00 H new ATOM 0 HE1 HIS A 45 1.292 -6.739 6.580 1.00 0.00 H new ATOM 0 HE2 HIS A 45 0.838 -4.518 5.377 1.00 0.00 H new ATOM 647 N LYS A 46 -6.171 -6.855 6.104 1.00 0.00 N ATOM 648 CA LYS A 46 -7.562 -6.526 5.791 1.00 0.00 C ATOM 649 C LYS A 46 -7.805 -5.084 6.213 1.00 0.00 C ATOM 650 O LYS A 46 -7.152 -4.579 7.124 1.00 0.00 O ATOM 651 CB LYS A 46 -8.531 -7.493 6.494 1.00 0.00 C ATOM 652 CG LYS A 46 -8.232 -7.687 7.990 1.00 0.00 C ATOM 653 CD LYS A 46 -9.433 -8.264 8.743 1.00 0.00 C ATOM 654 CE LYS A 46 -10.319 -7.134 9.285 1.00 0.00 C ATOM 655 NZ LYS A 46 -11.547 -7.655 9.919 1.00 0.00 N ATOM 0 H LYS A 46 -5.902 -6.606 7.056 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.744 -6.632 4.722 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.549 -7.120 6.381 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.490 -8.461 5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.377 -8.353 8.106 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.953 -6.730 8.431 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.014 -8.903 8.078 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.088 -8.890 9.566 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.756 -6.547 10.011 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.588 -6.461 8.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.119 -6.861 10.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.097 -8.194 9.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.291 -8.277 10.712 1.00 0.00 H new ATOM 669 N ILE A 47 -8.752 -4.410 5.568 1.00 0.00 N ATOM 670 CA ILE A 47 -9.125 -3.055 5.969 1.00 0.00 C ATOM 671 C ILE A 47 -9.821 -3.124 7.334 1.00 0.00 C ATOM 672 O ILE A 47 -10.596 -4.058 7.563 1.00 0.00 O ATOM 673 CB ILE A 47 -10.030 -2.420 4.894 1.00 0.00 C ATOM 674 CG1 ILE A 47 -9.390 -2.386 3.497 1.00 0.00 C ATOM 675 CG2 ILE A 47 -10.544 -1.023 5.293 1.00 0.00 C ATOM 676 CD1 ILE A 47 -8.153 -1.503 3.364 1.00 0.00 C ATOM 0 H ILE A 47 -9.273 -4.775 4.771 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.241 -2.424 6.061 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.892 -3.085 4.833 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.121 -3.404 3.215 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.138 -2.044 2.782 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.175 -0.627 4.498 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.124 -1.098 6.213 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.697 -0.355 5.451 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.781 -1.550 2.341 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.413 -0.473 3.608 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.380 -1.854 4.048 1.00 0.00 H new ATOM 688 N GLY A 48 -9.588 -2.120 8.187 1.00 0.00 N ATOM 689 CA GLY A 48 -10.224 -1.947 9.491 1.00 0.00 C ATOM 690 C GLY A 48 -11.215 -0.783 9.509 1.00 0.00 C ATOM 691 O GLY A 48 -12.397 -1.000 9.754 1.00 0.00 O ATOM 0 H GLY A 48 -8.923 -1.376 7.975 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.743 -2.866 9.763 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.457 -1.778 10.246 1.00 0.00 H new ATOM 695 N ARG A 49 -10.768 0.444 9.222 1.00 0.00 N ATOM 696 CA ARG A 49 -11.603 1.648 9.216 1.00 0.00 C ATOM 697 C ARG A 49 -11.178 2.498 8.030 1.00 0.00 C ATOM 698 O ARG A 49 -9.980 2.562 7.735 1.00 0.00 O ATOM 699 CB ARG A 49 -11.416 2.396 10.555 1.00 0.00 C ATOM 700 CG ARG A 49 -12.316 3.633 10.756 1.00 0.00 C ATOM 701 CD ARG A 49 -11.948 4.442 12.013 1.00 0.00 C ATOM 702 NE ARG A 49 -11.990 3.652 13.261 1.00 0.00 N ATOM 703 CZ ARG A 49 -11.302 3.935 14.379 1.00 0.00 C ATOM 704 NH1 ARG A 49 -10.683 5.105 14.499 1.00 0.00 N ATOM 705 NH2 ARG A 49 -11.214 3.064 15.378 1.00 0.00 N ATOM 0 H ARG A 49 -9.794 0.631 8.982 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.661 1.406 9.118 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.601 1.697 11.371 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.375 2.709 10.634 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.241 4.277 9.880 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.355 3.312 10.827 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.947 4.855 11.888 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.632 5.286 12.104 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.589 2.826 13.274 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.731 5.787 13.742 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.160 5.321 15.348 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.675 2.157 15.306 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.685 3.302 16.217 1.00 0.00 H new ATOM 719 N ILE A 50 -12.123 3.178 7.393 1.00 0.00 N ATOM 720 CA ILE A 50 -11.903 4.114 6.300 1.00 0.00 C ATOM 721 C ILE A 50 -12.506 5.443 6.761 1.00 0.00 C ATOM 722 O ILE A 50 -13.668 5.440 7.170 1.00 0.00 O ATOM 723 CB ILE A 50 -12.538 3.531 5.006 1.00 0.00 C ATOM 724 CG1 ILE A 50 -11.587 2.495 4.363 1.00 0.00 C ATOM 725 CG2 ILE A 50 -12.929 4.608 3.979 1.00 0.00 C ATOM 726 CD1 ILE A 50 -12.221 1.665 3.236 1.00 0.00 C ATOM 0 H ILE A 50 -13.109 3.087 7.637 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.853 4.279 6.058 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.465 3.043 5.308 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.715 3.016 3.967 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.229 1.818 5.139 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.366 4.132 3.101 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.657 5.287 4.423 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.042 5.169 3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.485 0.964 2.842 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -13.075 1.112 3.627 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -12.554 2.329 2.438 1.00 0.00 H new ATOM 738 N ILE A 51 -11.743 6.547 6.752 1.00 0.00 N ATOM 739 CA ILE A 51 -12.255 7.886 7.018 1.00 0.00 C ATOM 740 C ILE A 51 -13.464 8.135 6.114 1.00 0.00 C ATOM 741 O ILE A 51 -13.402 7.928 4.898 1.00 0.00 O ATOM 742 CB ILE A 51 -11.139 8.939 6.816 1.00 0.00 C ATOM 743 CG1 ILE A 51 -10.228 9.075 8.045 1.00 0.00 C ATOM 744 CG2 ILE A 51 -11.682 10.352 6.566 1.00 0.00 C ATOM 745 CD1 ILE A 51 -9.321 7.898 8.334 1.00 0.00 C ATOM 0 H ILE A 51 -10.742 6.527 6.557 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.579 7.972 8.055 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.594 8.567 5.948 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -9.608 9.962 7.916 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -10.855 9.248 8.920 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -10.850 11.043 6.432 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -12.300 10.351 5.668 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -12.282 10.667 7.419 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.726 8.107 9.223 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.925 7.006 8.503 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.659 7.732 7.484 1.00 0.00 H new ATOM 757 N ASP A 52 -14.537 8.612 6.731 1.00 0.00 N ATOM 758 CA ASP A 52 -15.801 8.940 6.095 1.00 0.00 C ATOM 759 C ASP A 52 -15.564 10.048 5.064 1.00 0.00 C ATOM 760 O ASP A 52 -15.014 11.102 5.400 1.00 0.00 O ATOM 761 CB ASP A 52 -16.777 9.374 7.196 1.00 0.00 C ATOM 762 CG ASP A 52 -18.200 8.960 6.873 1.00 0.00 C ATOM 763 OD1 ASP A 52 -18.860 9.691 6.100 1.00 0.00 O ATOM 764 OD2 ASP A 52 -18.635 7.915 7.415 1.00 0.00 O ATOM 0 H ASP A 52 -14.548 8.788 7.736 1.00 0.00 H new ATOM 0 HA ASP A 52 -16.226 8.086 5.567 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.475 8.932 8.146 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.731 10.456 7.319 1.00 0.00 H new ATOM 769 N GLY A 53 -15.923 9.818 3.801 1.00 0.00 N ATOM 770 CA GLY A 53 -15.755 10.782 2.717 1.00 0.00 C ATOM 771 C GLY A 53 -14.315 10.938 2.208 1.00 0.00 C ATOM 772 O GLY A 53 -14.032 11.889 1.476 1.00 0.00 O ATOM 0 H GLY A 53 -16.346 8.941 3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.389 10.483 1.883 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -16.112 11.754 3.056 1.00 0.00 H new ATOM 776 N SER A 54 -13.372 10.081 2.616 1.00 0.00 N ATOM 777 CA SER A 54 -11.978 10.164 2.165 1.00 0.00 C ATOM 778 C SER A 54 -11.828 9.869 0.665 1.00 0.00 C ATOM 779 O SER A 54 -12.748 9.339 0.045 1.00 0.00 O ATOM 780 CB SER A 54 -11.122 9.178 2.963 1.00 0.00 C ATOM 781 OG SER A 54 -11.625 7.856 2.933 1.00 0.00 O ATOM 0 H SER A 54 -13.552 9.315 3.264 1.00 0.00 H new ATOM 0 HA SER A 54 -11.642 11.187 2.334 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.107 9.183 2.566 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.061 9.514 3.998 1.00 0.00 H new ATOM 0 HG SER A 54 -12.118 7.675 3.760 1.00 0.00 H new ATOM 787 N PRO A 55 -10.636 10.070 0.072 1.00 0.00 N ATOM 788 CA PRO A 55 -10.339 9.541 -1.252 1.00 0.00 C ATOM 789 C PRO A 55 -10.517 8.020 -1.324 1.00 0.00 C ATOM 790 O PRO A 55 -10.958 7.498 -2.348 1.00 0.00 O ATOM 791 CB PRO A 55 -8.893 9.942 -1.570 1.00 0.00 C ATOM 792 CG PRO A 55 -8.347 10.661 -0.332 1.00 0.00 C ATOM 793 CD PRO A 55 -9.567 10.927 0.554 1.00 0.00 C ATOM 0 HA PRO A 55 -11.035 9.952 -1.984 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.291 9.064 -1.803 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.856 10.594 -2.443 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.611 10.047 0.187 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.849 11.591 -0.605 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.340 10.711 1.598 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.860 11.976 0.502 1.00 0.00 H new ATOM 801 N ALA A 56 -10.161 7.308 -0.246 1.00 0.00 N ATOM 802 CA ALA A 56 -10.301 5.860 -0.176 1.00 0.00 C ATOM 803 C ALA A 56 -11.776 5.494 -0.258 1.00 0.00 C ATOM 804 O ALA A 56 -12.150 4.651 -1.069 1.00 0.00 O ATOM 805 CB ALA A 56 -9.662 5.322 1.108 1.00 0.00 C ATOM 0 H ALA A 56 -9.769 7.726 0.598 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.781 5.401 -1.016 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.775 4.239 1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.602 5.577 1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.153 5.768 1.973 1.00 0.00 H new ATOM 811 N ASP A 57 -12.610 6.150 0.544 1.00 0.00 N ATOM 812 CA ASP A 57 -14.052 5.957 0.532 1.00 0.00 C ATOM 813 C ASP A 57 -14.655 6.298 -0.834 1.00 0.00 C ATOM 814 O ASP A 57 -15.334 5.468 -1.437 1.00 0.00 O ATOM 815 CB ASP A 57 -14.684 6.823 1.613 1.00 0.00 C ATOM 816 CG ASP A 57 -16.187 6.657 1.559 1.00 0.00 C ATOM 817 OD1 ASP A 57 -16.678 5.578 1.954 1.00 0.00 O ATOM 818 OD2 ASP A 57 -16.856 7.631 1.155 1.00 0.00 O ATOM 0 H ASP A 57 -12.297 6.839 1.228 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.259 4.905 0.730 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.308 6.534 2.595 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.415 7.869 1.463 1.00 0.00 H new ATOM 823 N ARG A 58 -14.375 7.496 -1.361 1.00 0.00 N ATOM 824 CA ARG A 58 -14.929 7.986 -2.623 1.00 0.00 C ATOM 825 C ARG A 58 -14.543 7.103 -3.807 1.00 0.00 C ATOM 826 O ARG A 58 -15.187 7.174 -4.853 1.00 0.00 O ATOM 827 CB ARG A 58 -14.673 9.496 -2.789 1.00 0.00 C ATOM 828 CG ARG A 58 -13.534 9.820 -3.742 1.00 0.00 C ATOM 829 CD ARG A 58 -13.487 11.309 -4.105 1.00 0.00 C ATOM 830 NE ARG A 58 -14.436 11.631 -5.188 1.00 0.00 N ATOM 831 CZ ARG A 58 -14.211 11.515 -6.502 1.00 0.00 C ATOM 832 NH1 ARG A 58 -13.029 11.108 -6.952 1.00 0.00 N ATOM 833 NH2 ARG A 58 -15.161 11.800 -7.381 1.00 0.00 N ATOM 0 H ARG A 58 -13.746 8.162 -0.912 1.00 0.00 H new ATOM 0 HA ARG A 58 -16.015 7.895 -2.595 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.584 9.973 -3.150 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.453 9.928 -1.813 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.588 9.529 -3.286 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.645 9.230 -4.652 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.722 11.907 -3.224 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.477 11.578 -4.413 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.354 11.976 -4.907 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.283 10.881 -6.294 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.867 11.023 -7.955 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -16.077 12.112 -7.059 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.976 11.707 -8.380 1.00 0.00 H new ATOM 847 N CYS A 59 -13.507 6.272 -3.683 1.00 0.00 N ATOM 848 CA CYS A 59 -13.146 5.342 -4.735 1.00 0.00 C ATOM 849 C CYS A 59 -14.305 4.378 -5.050 1.00 0.00 C ATOM 850 O CYS A 59 -14.399 3.948 -6.202 1.00 0.00 O ATOM 851 CB CYS A 59 -11.843 4.630 -4.351 1.00 0.00 C ATOM 852 SG CYS A 59 -11.129 3.805 -5.801 1.00 0.00 S ATOM 0 H CYS A 59 -12.907 6.230 -2.860 1.00 0.00 H new ATOM 0 HA CYS A 59 -12.963 5.882 -5.664 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.132 5.350 -3.947 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.037 3.899 -3.566 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.025 3.208 -5.461 1.00 0.00 H new ATOM 858 N ALA A 60 -15.207 4.103 -4.095 1.00 0.00 N ATOM 859 CA ALA A 60 -16.358 3.205 -4.205 1.00 0.00 C ATOM 860 C ALA A 60 -15.968 1.779 -4.627 1.00 0.00 C ATOM 861 O ALA A 60 -16.723 1.115 -5.337 1.00 0.00 O ATOM 862 CB ALA A 60 -17.442 3.823 -5.106 1.00 0.00 C ATOM 0 H ALA A 60 -15.145 4.530 -3.171 1.00 0.00 H new ATOM 0 HA ALA A 60 -16.784 3.094 -3.208 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.289 3.141 -5.176 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.773 4.770 -4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -17.033 3.996 -6.101 1.00 0.00 H new ATOM 868 N LYS A 61 -14.777 1.309 -4.245 1.00 0.00 N ATOM 869 CA LYS A 61 -14.276 -0.031 -4.587 1.00 0.00 C ATOM 870 C LYS A 61 -13.705 -0.754 -3.372 1.00 0.00 C ATOM 871 O LYS A 61 -13.878 -1.967 -3.259 1.00 0.00 O ATOM 872 CB LYS A 61 -13.260 0.027 -5.715 1.00 0.00 C ATOM 873 CG LYS A 61 -14.031 0.386 -6.981 1.00 0.00 C ATOM 874 CD LYS A 61 -13.264 0.132 -8.255 1.00 0.00 C ATOM 875 CE LYS A 61 -11.937 0.905 -8.315 1.00 0.00 C ATOM 876 NZ LYS A 61 -11.468 1.076 -9.700 1.00 0.00 N ATOM 0 H LYS A 61 -14.123 1.853 -3.682 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.131 -0.609 -4.936 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.491 0.771 -5.506 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.753 -0.931 -5.829 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -14.958 -0.188 -7.006 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.309 1.439 -6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.062 -0.935 -8.346 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.882 0.413 -9.108 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.064 1.883 -7.851 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.180 0.374 -7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.571 1.602 -9.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.323 0.143 -10.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.179 1.605 -10.245 1.00 0.00 H new ATOM 890 N LEU A 62 -13.086 -0.021 -2.444 1.00 0.00 N ATOM 891 CA LEU A 62 -12.530 -0.539 -1.201 1.00 0.00 C ATOM 892 C LEU A 62 -13.603 -0.376 -0.129 1.00 0.00 C ATOM 893 O LEU A 62 -14.096 0.737 0.084 1.00 0.00 O ATOM 894 CB LEU A 62 -11.283 0.271 -0.759 1.00 0.00 C ATOM 895 CG LEU A 62 -9.960 -0.504 -0.563 1.00 0.00 C ATOM 896 CD1 LEU A 62 -9.084 0.279 0.423 1.00 0.00 C ATOM 897 CD2 LEU A 62 -10.122 -1.929 -0.025 1.00 0.00 C ATOM 0 H LEU A 62 -12.956 0.986 -2.545 1.00 0.00 H new ATOM 0 HA LEU A 62 -12.233 -1.578 -1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.109 1.051 -1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.522 0.771 0.180 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.514 -0.597 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.144 -0.252 0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.879 1.271 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.605 0.375 1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.141 -2.392 0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.613 -1.897 0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.727 -2.513 -0.718 1.00 0.00 H new ATOM 909 N LYS A 63 -13.938 -1.459 0.566 1.00 0.00 N ATOM 910 CA LYS A 63 -14.791 -1.468 1.752 1.00 0.00 C ATOM 911 C LYS A 63 -13.988 -1.981 2.941 1.00 0.00 C ATOM 912 O LYS A 63 -12.845 -2.421 2.806 1.00 0.00 O ATOM 913 CB LYS A 63 -16.066 -2.285 1.479 1.00 0.00 C ATOM 914 CG LYS A 63 -15.795 -3.785 1.249 1.00 0.00 C ATOM 915 CD LYS A 63 -16.794 -4.471 0.309 1.00 0.00 C ATOM 916 CE LYS A 63 -16.659 -3.978 -1.142 1.00 0.00 C ATOM 917 NZ LYS A 63 -15.461 -4.504 -1.835 1.00 0.00 N ATOM 0 H LYS A 63 -13.611 -2.390 0.309 1.00 0.00 H new ATOM 0 HA LYS A 63 -15.122 -0.459 1.997 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.748 -2.172 2.321 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.570 -1.876 0.603 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.791 -3.902 0.841 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.810 -4.296 2.211 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.638 -5.549 0.341 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -17.809 -4.285 0.661 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.549 -4.268 -1.700 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.622 -2.889 -1.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.745 -4.947 -2.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.801 -3.724 -2.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.994 -5.212 -1.233 1.00 0.00 H new ATOM 931 N VAL A 64 -14.550 -1.897 4.140 1.00 0.00 N ATOM 932 CA VAL A 64 -13.901 -2.469 5.312 1.00 0.00 C ATOM 933 C VAL A 64 -13.864 -3.995 5.154 1.00 0.00 C ATOM 934 O VAL A 64 -14.832 -4.589 4.681 1.00 0.00 O ATOM 935 CB VAL A 64 -14.604 -1.981 6.587 1.00 0.00 C ATOM 936 CG1 VAL A 64 -14.021 -2.673 7.819 1.00 0.00 C ATOM 937 CG2 VAL A 64 -14.446 -0.459 6.755 1.00 0.00 C ATOM 0 H VAL A 64 -15.444 -1.443 4.326 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.867 -2.135 5.403 1.00 0.00 H new ATOM 0 HB VAL A 64 -15.662 -2.226 6.492 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -14.531 -2.315 8.713 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -14.158 -3.751 7.730 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.957 -2.448 7.894 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.953 -0.139 7.665 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.387 -0.208 6.822 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.886 0.049 5.897 1.00 0.00 H new ATOM 947 N GLY A 65 -12.769 -4.640 5.574 1.00 0.00 N ATOM 948 CA GLY A 65 -12.605 -6.086 5.562 1.00 0.00 C ATOM 949 C GLY A 65 -12.011 -6.657 4.271 1.00 0.00 C ATOM 950 O GLY A 65 -11.734 -7.850 4.266 1.00 0.00 O ATOM 0 H GLY A 65 -11.953 -4.150 5.941 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.965 -6.371 6.397 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.577 -6.549 5.733 1.00 0.00 H new ATOM 954 N ASP A 66 -11.775 -5.860 3.217 1.00 0.00 N ATOM 955 CA ASP A 66 -11.800 -6.257 1.784 1.00 0.00 C ATOM 956 C ASP A 66 -10.797 -7.305 1.249 1.00 0.00 C ATOM 957 O ASP A 66 -10.648 -7.437 0.039 1.00 0.00 O ATOM 958 CB ASP A 66 -11.663 -4.999 0.896 1.00 0.00 C ATOM 959 CG ASP A 66 -12.704 -4.919 -0.227 1.00 0.00 C ATOM 960 OD1 ASP A 66 -13.394 -5.910 -0.554 1.00 0.00 O ATOM 961 OD2 ASP A 66 -12.944 -3.793 -0.708 1.00 0.00 O ATOM 0 H ASP A 66 -11.550 -4.872 3.337 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.760 -6.770 1.729 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.750 -4.112 1.523 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.666 -4.983 0.456 1.00 0.00 H new ATOM 966 N ARG A 67 -10.072 -8.019 2.113 1.00 0.00 N ATOM 967 CA ARG A 67 -8.964 -8.925 1.802 1.00 0.00 C ATOM 968 C ARG A 67 -8.018 -8.372 0.735 1.00 0.00 C ATOM 969 O ARG A 67 -8.115 -8.675 -0.458 1.00 0.00 O ATOM 970 CB ARG A 67 -9.467 -10.321 1.384 1.00 0.00 C ATOM 971 CG ARG A 67 -10.122 -11.107 2.522 1.00 0.00 C ATOM 972 CD ARG A 67 -10.184 -12.624 2.273 1.00 0.00 C ATOM 973 NE ARG A 67 -8.849 -13.198 2.020 1.00 0.00 N ATOM 974 CZ ARG A 67 -8.566 -14.455 1.664 1.00 0.00 C ATOM 975 NH1 ARG A 67 -9.481 -15.410 1.755 1.00 0.00 N ATOM 976 NH2 ARG A 67 -7.341 -14.719 1.216 1.00 0.00 N ATOM 0 H ARG A 67 -10.256 -7.977 3.115 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.396 -9.016 2.728 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.185 -10.210 0.571 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.629 -10.897 0.992 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.570 -10.922 3.444 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -11.134 -10.732 2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.632 -13.115 3.137 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.833 -12.825 1.420 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.055 -12.567 2.129 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.415 -15.190 2.100 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.251 -16.365 1.480 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -6.649 -13.972 1.152 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.094 -15.668 0.936 1.00 0.00 H new ATOM 990 N ILE A 68 -7.045 -7.594 1.194 1.00 0.00 N ATOM 991 CA ILE A 68 -5.950 -7.166 0.343 1.00 0.00 C ATOM 992 C ILE A 68 -5.169 -8.434 -0.026 1.00 0.00 C ATOM 993 O ILE A 68 -5.115 -9.400 0.742 1.00 0.00 O ATOM 994 CB ILE A 68 -5.115 -6.093 1.079 1.00 0.00 C ATOM 995 CG1 ILE A 68 -5.998 -4.876 1.463 1.00 0.00 C ATOM 996 CG2 ILE A 68 -3.919 -5.609 0.236 1.00 0.00 C ATOM 997 CD1 ILE A 68 -5.404 -4.041 2.598 1.00 0.00 C ATOM 0 H ILE A 68 -6.995 -7.248 2.152 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.280 -6.687 -0.579 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.727 -6.564 1.982 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.135 -4.243 0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.986 -5.230 1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.362 -4.856 0.794 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.266 -6.453 0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.282 -5.175 -0.696 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.067 -3.205 2.820 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.292 -4.662 3.487 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.428 -3.660 2.297 1.00 0.00 H new ATOM 1009 N LEU A 69 -4.578 -8.431 -1.217 1.00 0.00 N ATOM 1010 CA LEU A 69 -3.749 -9.484 -1.751 1.00 0.00 C ATOM 1011 C LEU A 69 -2.354 -8.927 -2.008 1.00 0.00 C ATOM 1012 O LEU A 69 -1.352 -9.553 -1.643 1.00 0.00 O ATOM 1013 CB LEU A 69 -4.459 -10.008 -3.004 1.00 0.00 C ATOM 1014 CG LEU A 69 -3.563 -10.508 -4.136 1.00 0.00 C ATOM 1015 CD1 LEU A 69 -2.755 -11.754 -3.759 1.00 0.00 C ATOM 1016 CD2 LEU A 69 -4.403 -10.837 -5.370 1.00 0.00 C ATOM 0 H LEU A 69 -4.676 -7.648 -1.863 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.613 -10.321 -1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.119 -10.822 -2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.092 -9.212 -3.396 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.862 -9.700 -4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.139 -12.058 -4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.114 -11.528 -2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.436 -12.563 -3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.752 -11.192 -6.169 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.128 -11.612 -5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.929 -9.942 -5.701 1.00 0.00 H new ATOM 1028 N ALA A 70 -2.295 -7.762 -2.648 1.00 0.00 N ATOM 1029 CA ALA A 70 -1.070 -7.078 -3.038 1.00 0.00 C ATOM 1030 C ALA A 70 -1.251 -5.556 -3.021 1.00 0.00 C ATOM 1031 O ALA A 70 -2.376 -5.057 -2.978 1.00 0.00 O ATOM 1032 CB ALA A 70 -0.645 -7.580 -4.426 1.00 0.00 C ATOM 0 H ALA A 70 -3.135 -7.250 -2.919 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.283 -7.304 -2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.272 -7.075 -4.730 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.471 -8.655 -4.387 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.434 -7.366 -5.147 1.00 0.00 H new ATOM 1038 N VAL A 71 -0.140 -4.823 -3.096 1.00 0.00 N ATOM 1039 CA VAL A 71 -0.090 -3.365 -3.199 1.00 0.00 C ATOM 1040 C VAL A 71 0.916 -3.008 -4.271 1.00 0.00 C ATOM 1041 O VAL A 71 2.051 -3.460 -4.194 1.00 0.00 O ATOM 1042 CB VAL A 71 0.213 -2.721 -1.837 1.00 0.00 C ATOM 1043 CG1 VAL A 71 1.669 -2.799 -1.379 1.00 0.00 C ATOM 1044 CG2 VAL A 71 -0.217 -1.244 -1.822 1.00 0.00 C ATOM 0 H VAL A 71 0.788 -5.247 -3.086 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.061 -2.964 -3.490 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.367 -3.318 -1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.771 -2.315 -0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.969 -3.844 -1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.306 -2.294 -2.105 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.007 -0.810 -0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.325 -0.700 -2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.288 -1.175 -2.012 1.00 0.00 H new ATOM 1054 N ASN A 72 0.513 -2.239 -5.281 1.00 0.00 N ATOM 1055 CA ASN A 72 1.362 -1.850 -6.405 1.00 0.00 C ATOM 1056 C ASN A 72 2.056 -3.092 -6.996 1.00 0.00 C ATOM 1057 O ASN A 72 3.248 -3.081 -7.301 1.00 0.00 O ATOM 1058 CB ASN A 72 2.351 -0.758 -5.962 1.00 0.00 C ATOM 1059 CG ASN A 72 1.707 0.399 -5.199 1.00 0.00 C ATOM 1060 OD1 ASN A 72 0.659 0.922 -5.567 1.00 0.00 O ATOM 1061 ND2 ASN A 72 2.300 0.792 -4.082 1.00 0.00 N ATOM 0 H ASN A 72 -0.433 -1.861 -5.342 1.00 0.00 H new ATOM 0 HA ASN A 72 0.755 -1.421 -7.202 1.00 0.00 H new ATOM 0 HB2 ASN A 72 3.117 -1.211 -5.333 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.855 -0.361 -6.843 1.00 0.00 H new ATOM 0 HD21 ASN A 72 1.886 1.535 -3.519 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.170 0.351 -3.784 1.00 0.00 H new ATOM 1068 N GLY A 73 1.324 -4.209 -7.056 1.00 0.00 N ATOM 1069 CA GLY A 73 1.806 -5.502 -7.518 1.00 0.00 C ATOM 1070 C GLY A 73 2.632 -6.297 -6.502 1.00 0.00 C ATOM 1071 O GLY A 73 2.874 -7.479 -6.756 1.00 0.00 O ATOM 0 H GLY A 73 0.344 -4.232 -6.772 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.948 -6.105 -7.815 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.411 -5.347 -8.411 1.00 0.00 H new ATOM 1075 N GLN A 74 3.054 -5.745 -5.361 1.00 0.00 N ATOM 1076 CA GLN A 74 3.870 -6.488 -4.407 1.00 0.00 C ATOM 1077 C GLN A 74 2.947 -7.381 -3.608 1.00 0.00 C ATOM 1078 O GLN A 74 2.016 -6.882 -2.975 1.00 0.00 O ATOM 1079 CB GLN A 74 4.623 -5.546 -3.456 1.00 0.00 C ATOM 1080 CG GLN A 74 5.825 -4.881 -4.125 1.00 0.00 C ATOM 1081 CD GLN A 74 6.921 -5.888 -4.446 1.00 0.00 C ATOM 1082 OE1 GLN A 74 6.945 -6.461 -5.525 1.00 0.00 O ATOM 1083 NE2 GLN A 74 7.842 -6.120 -3.524 1.00 0.00 N ATOM 0 H GLN A 74 2.843 -4.788 -5.079 1.00 0.00 H new ATOM 0 HA GLN A 74 4.615 -7.072 -4.948 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.940 -4.777 -3.095 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.960 -6.107 -2.585 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.504 -4.388 -5.043 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.223 -4.106 -3.470 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.803 -5.631 -2.630 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.591 -6.788 -3.708 1.00 0.00 H new ATOM 1092 N SER A 75 3.204 -8.685 -3.626 1.00 0.00 N ATOM 1093 CA SER A 75 2.578 -9.615 -2.709 1.00 0.00 C ATOM 1094 C SER A 75 2.974 -9.218 -1.286 1.00 0.00 C ATOM 1095 O SER A 75 4.138 -9.323 -0.906 1.00 0.00 O ATOM 1096 CB SER A 75 2.977 -11.049 -3.090 1.00 0.00 C ATOM 1097 OG SER A 75 2.325 -11.343 -4.321 1.00 0.00 O ATOM 0 H SER A 75 3.854 -9.122 -4.280 1.00 0.00 H new ATOM 0 HA SER A 75 1.490 -9.579 -2.765 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.059 -11.135 -3.195 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.675 -11.753 -2.315 1.00 0.00 H new ATOM 0 HG SER A 75 2.554 -12.253 -4.604 1.00 0.00 H new ATOM 1103 N ILE A 76 2.014 -8.708 -0.515 1.00 0.00 N ATOM 1104 CA ILE A 76 2.225 -8.174 0.831 1.00 0.00 C ATOM 1105 C ILE A 76 2.307 -9.286 1.896 1.00 0.00 C ATOM 1106 O ILE A 76 2.242 -9.002 3.085 1.00 0.00 O ATOM 1107 CB ILE A 76 1.166 -7.086 1.145 1.00 0.00 C ATOM 1108 CG1 ILE A 76 -0.314 -7.412 0.867 1.00 0.00 C ATOM 1109 CG2 ILE A 76 1.360 -5.841 0.304 1.00 0.00 C ATOM 1110 CD1 ILE A 76 -0.831 -8.423 1.840 1.00 0.00 C ATOM 0 H ILE A 76 1.041 -8.653 -0.817 1.00 0.00 H new ATOM 0 HA ILE A 76 3.201 -7.689 0.865 1.00 0.00 H new ATOM 0 HB ILE A 76 1.337 -6.982 2.216 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.909 -6.501 0.932 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.422 -7.791 -0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.595 -5.107 0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.346 -5.420 0.499 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.278 -6.099 -0.752 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.878 -8.636 1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.249 -9.341 1.755 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.744 -8.031 2.853 1.00 0.00 H new ATOM 1122 N ILE A 77 2.418 -10.550 1.476 1.00 0.00 N ATOM 1123 CA ILE A 77 2.605 -11.711 2.340 1.00 0.00 C ATOM 1124 C ILE A 77 3.946 -11.561 3.070 1.00 0.00 C ATOM 1125 O ILE A 77 3.974 -11.197 4.244 1.00 0.00 O ATOM 1126 CB ILE A 77 2.490 -12.993 1.474 1.00 0.00 C ATOM 1127 CG1 ILE A 77 1.069 -13.160 0.886 1.00 0.00 C ATOM 1128 CG2 ILE A 77 2.927 -14.292 2.171 1.00 0.00 C ATOM 1129 CD1 ILE A 77 -0.033 -13.518 1.896 1.00 0.00 C ATOM 0 H ILE A 77 2.378 -10.798 0.487 1.00 0.00 H new ATOM 0 HA ILE A 77 1.838 -11.788 3.110 1.00 0.00 H new ATOM 0 HB ILE A 77 3.205 -12.832 0.668 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.791 -12.232 0.387 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.101 -13.936 0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.810 -15.131 1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.972 -14.211 2.469 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.309 -14.457 3.054 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.987 -13.611 1.376 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.210 -14.464 2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.105 -12.733 2.649 1.00 0.00 H new ATOM 1141 N ASN A 78 5.058 -11.832 2.376 1.00 0.00 N ATOM 1142 CA ASN A 78 6.354 -12.040 3.025 1.00 0.00 C ATOM 1143 C ASN A 78 7.006 -10.708 3.396 1.00 0.00 C ATOM 1144 O ASN A 78 7.802 -10.662 4.331 1.00 0.00 O ATOM 1145 CB ASN A 78 7.310 -12.853 2.133 1.00 0.00 C ATOM 1146 CG ASN A 78 6.703 -14.155 1.622 1.00 0.00 C ATOM 1147 OD1 ASN A 78 6.757 -15.209 2.256 1.00 0.00 O ATOM 1148 ND2 ASN A 78 6.079 -14.122 0.458 1.00 0.00 N ATOM 0 H ASN A 78 5.084 -11.912 1.359 1.00 0.00 H new ATOM 0 HA ASN A 78 6.164 -12.607 3.936 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.609 -12.241 1.282 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.216 -13.079 2.696 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.645 -14.967 0.088 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.032 -13.251 -0.071 1.00 0.00 H new ATOM 1155 N MET A 79 6.693 -9.630 2.674 1.00 0.00 N ATOM 1156 CA MET A 79 7.146 -8.285 2.990 1.00 0.00 C ATOM 1157 C MET A 79 6.677 -7.904 4.404 1.00 0.00 C ATOM 1158 O MET A 79 5.502 -8.115 4.708 1.00 0.00 O ATOM 1159 CB MET A 79 6.558 -7.319 1.952 1.00 0.00 C ATOM 1160 CG MET A 79 7.632 -6.785 1.007 1.00 0.00 C ATOM 1161 SD MET A 79 7.038 -5.864 -0.447 1.00 0.00 S ATOM 1162 CE MET A 79 5.614 -4.983 0.234 1.00 0.00 C ATOM 0 H MET A 79 6.107 -9.674 1.840 1.00 0.00 H new ATOM 0 HA MET A 79 8.234 -8.233 2.962 1.00 0.00 H new ATOM 0 HB2 MET A 79 5.787 -7.830 1.375 1.00 0.00 H new ATOM 0 HB3 MET A 79 6.075 -6.486 2.463 1.00 0.00 H new ATOM 0 HG2 MET A 79 8.297 -6.135 1.576 1.00 0.00 H new ATOM 0 HG3 MET A 79 8.231 -7.626 0.658 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.316 -4.189 -0.451 1.00 0.00 H new ATOM 0 HE2 MET A 79 4.785 -5.678 0.366 1.00 0.00 H new ATOM 0 HE3 MET A 79 5.881 -4.550 1.198 1.00 0.00 H new ATOM 1172 N PRO A 80 7.531 -7.333 5.266 1.00 0.00 N ATOM 1173 CA PRO A 80 7.128 -6.951 6.613 1.00 0.00 C ATOM 1174 C PRO A 80 6.179 -5.747 6.573 1.00 0.00 C ATOM 1175 O PRO A 80 6.223 -4.931 5.647 1.00 0.00 O ATOM 1176 CB PRO A 80 8.435 -6.642 7.346 1.00 0.00 C ATOM 1177 CG PRO A 80 9.373 -6.183 6.228 1.00 0.00 C ATOM 1178 CD PRO A 80 8.926 -7.008 5.023 1.00 0.00 C ATOM 0 HA PRO A 80 6.573 -7.737 7.124 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.299 -5.866 8.099 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.824 -7.521 7.860 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.278 -5.114 6.039 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.417 -6.371 6.478 1.00 0.00 H new ATOM 0 HD2 PRO A 80 9.041 -6.444 4.098 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.527 -7.912 4.922 1.00 0.00 H new ATOM 1186 N HIS A 81 5.347 -5.604 7.608 1.00 0.00 N ATOM 1187 CA HIS A 81 4.305 -4.587 7.664 1.00 0.00 C ATOM 1188 C HIS A 81 4.874 -3.176 7.501 1.00 0.00 C ATOM 1189 O HIS A 81 4.248 -2.360 6.826 1.00 0.00 O ATOM 1190 CB HIS A 81 3.487 -4.698 8.964 1.00 0.00 C ATOM 1191 CG HIS A 81 2.093 -4.131 8.842 1.00 0.00 C ATOM 1192 ND1 HIS A 81 1.654 -3.237 7.890 1.00 0.00 N ATOM 1193 CD2 HIS A 81 1.019 -4.452 9.626 1.00 0.00 C ATOM 1194 CE1 HIS A 81 0.339 -3.043 8.084 1.00 0.00 C ATOM 1195 NE2 HIS A 81 -0.095 -3.761 9.135 1.00 0.00 N ATOM 0 H HIS A 81 5.382 -6.199 8.436 1.00 0.00 H new ATOM 0 HA HIS A 81 3.636 -4.770 6.823 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.421 -5.746 9.255 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.015 -4.177 9.763 1.00 0.00 H new ATOM 0 HD1 HIS A 81 2.226 -2.800 7.167 1.00 0.00 H new ATOM 0 HD2 HIS A 81 1.029 -5.121 10.474 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.283 -2.400 7.480 1.00 0.00 H new ATOM 1203 N ALA A 82 6.039 -2.896 8.097 1.00 0.00 N ATOM 1204 CA ALA A 82 6.708 -1.605 7.989 1.00 0.00 C ATOM 1205 C ALA A 82 7.050 -1.276 6.540 1.00 0.00 C ATOM 1206 O ALA A 82 6.807 -0.146 6.124 1.00 0.00 O ATOM 1207 CB ALA A 82 7.962 -1.588 8.866 1.00 0.00 C ATOM 0 H ALA A 82 6.545 -3.570 8.672 1.00 0.00 H new ATOM 0 HA ALA A 82 6.024 -0.834 8.344 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.454 -0.619 8.778 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.682 -1.760 9.905 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.645 -2.373 8.540 1.00 0.00 H new ATOM 1213 N ASP A 83 7.545 -2.250 5.767 1.00 0.00 N ATOM 1214 CA ASP A 83 7.836 -2.023 4.357 1.00 0.00 C ATOM 1215 C ASP A 83 6.553 -1.684 3.633 1.00 0.00 C ATOM 1216 O ASP A 83 6.528 -0.739 2.865 1.00 0.00 O ATOM 1217 CB ASP A 83 8.481 -3.233 3.664 1.00 0.00 C ATOM 1218 CG ASP A 83 9.991 -3.101 3.607 1.00 0.00 C ATOM 1219 OD1 ASP A 83 10.501 -2.063 3.129 1.00 0.00 O ATOM 1220 OD2 ASP A 83 10.678 -4.047 4.055 1.00 0.00 O ATOM 0 H ASP A 83 7.749 -3.194 6.096 1.00 0.00 H new ATOM 0 HA ASP A 83 8.553 -1.203 4.314 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.214 -4.145 4.199 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.085 -3.329 2.653 1.00 0.00 H new ATOM 1225 N ILE A 84 5.469 -2.422 3.853 1.00 0.00 N ATOM 1226 CA ILE A 84 4.226 -2.209 3.114 1.00 0.00 C ATOM 1227 C ILE A 84 3.610 -0.848 3.502 1.00 0.00 C ATOM 1228 O ILE A 84 2.999 -0.178 2.671 1.00 0.00 O ATOM 1229 CB ILE A 84 3.257 -3.368 3.479 1.00 0.00 C ATOM 1230 CG1 ILE A 84 3.819 -4.742 3.063 1.00 0.00 C ATOM 1231 CG2 ILE A 84 1.862 -3.188 2.851 1.00 0.00 C ATOM 1232 CD1 ILE A 84 3.309 -5.910 3.899 1.00 0.00 C ATOM 0 H ILE A 84 5.425 -3.175 4.539 1.00 0.00 H new ATOM 0 HA ILE A 84 4.412 -2.199 2.040 1.00 0.00 H new ATOM 0 HB ILE A 84 3.159 -3.334 4.564 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.568 -4.922 2.018 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.907 -4.711 3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.224 -4.024 3.137 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.421 -2.257 3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.953 -3.156 1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.754 -6.837 3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.583 -5.757 4.943 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.224 -5.972 3.814 1.00 0.00 H new ATOM 1244 N VAL A 85 3.758 -0.415 4.752 1.00 0.00 N ATOM 1245 CA VAL A 85 3.382 0.924 5.194 1.00 0.00 C ATOM 1246 C VAL A 85 4.216 1.945 4.424 1.00 0.00 C ATOM 1247 O VAL A 85 3.659 2.909 3.884 1.00 0.00 O ATOM 1248 CB VAL A 85 3.524 0.979 6.720 1.00 0.00 C ATOM 1249 CG1 VAL A 85 3.642 2.387 7.310 1.00 0.00 C ATOM 1250 CG2 VAL A 85 2.358 0.217 7.368 1.00 0.00 C ATOM 0 H VAL A 85 4.148 -0.993 5.496 1.00 0.00 H new ATOM 0 HA VAL A 85 2.343 1.171 4.976 1.00 0.00 H new ATOM 0 HB VAL A 85 4.477 0.502 6.951 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.738 2.321 8.394 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.521 2.882 6.897 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.751 2.962 7.059 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.457 0.255 8.453 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.415 0.677 7.073 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.374 -0.822 7.038 1.00 0.00 H new ATOM 1260 N LYS A 86 5.522 1.696 4.290 1.00 0.00 N ATOM 1261 CA LYS A 86 6.362 2.416 3.349 1.00 0.00 C ATOM 1262 C LYS A 86 5.732 2.361 1.958 1.00 0.00 C ATOM 1263 O LYS A 86 5.485 3.432 1.428 1.00 0.00 O ATOM 1264 CB LYS A 86 7.814 1.888 3.395 1.00 0.00 C ATOM 1265 CG LYS A 86 8.855 2.943 3.781 1.00 0.00 C ATOM 1266 CD LYS A 86 9.127 3.964 2.673 1.00 0.00 C ATOM 1267 CE LYS A 86 10.224 4.914 3.163 1.00 0.00 C ATOM 1268 NZ LYS A 86 10.618 5.891 2.135 1.00 0.00 N ATOM 0 H LYS A 86 6.019 0.990 4.833 1.00 0.00 H new ATOM 0 HA LYS A 86 6.424 3.468 3.629 1.00 0.00 H new ATOM 0 HB2 LYS A 86 7.867 1.065 4.107 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.072 1.481 2.417 1.00 0.00 H new ATOM 0 HG2 LYS A 86 8.515 3.469 4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.788 2.443 4.041 1.00 0.00 H new ATOM 0 HD2 LYS A 86 9.440 3.460 1.759 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.220 4.520 2.436 1.00 0.00 H new ATOM 0 HE2 LYS A 86 9.874 5.444 4.049 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.097 4.334 3.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.616 5.745 1.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.025 5.765 1.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.492 6.855 2.505 1.00 0.00 H new ATOM 1282 N LEU A 87 5.376 1.206 1.373 1.00 0.00 N ATOM 1283 CA LEU A 87 4.879 1.086 0.025 1.00 0.00 C ATOM 1284 C LEU A 87 3.630 1.904 -0.262 1.00 0.00 C ATOM 1285 O LEU A 87 3.411 2.272 -1.413 1.00 0.00 O ATOM 1286 CB LEU A 87 4.583 -0.399 -0.206 1.00 0.00 C ATOM 1287 CG LEU A 87 5.773 -1.167 -0.783 1.00 0.00 C ATOM 1288 CD1 LEU A 87 6.680 -1.959 0.138 1.00 0.00 C ATOM 1289 CD2 LEU A 87 5.436 -1.860 -2.102 1.00 0.00 C ATOM 0 H LEU A 87 5.434 0.309 1.856 1.00 0.00 H new ATOM 0 HA LEU A 87 5.638 1.481 -0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.288 -0.855 0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.735 -0.493 -0.884 1.00 0.00 H new ATOM 0 HG LEU A 87 6.463 -0.350 -0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.466 -2.436 -0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.129 -1.289 0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.098 -2.723 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.314 -2.391 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.624 -2.569 -1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.129 -1.115 -2.836 1.00 0.00 H new ATOM 1301 N ILE A 88 2.795 2.165 0.738 1.00 0.00 N ATOM 1302 CA ILE A 88 1.614 2.996 0.588 1.00 0.00 C ATOM 1303 C ILE A 88 2.059 4.460 0.572 1.00 0.00 C ATOM 1304 O ILE A 88 1.626 5.220 -0.289 1.00 0.00 O ATOM 1305 CB ILE A 88 0.653 2.684 1.746 1.00 0.00 C ATOM 1306 CG1 ILE A 88 0.136 1.227 1.653 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -0.543 3.649 1.778 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -0.433 0.698 2.974 1.00 0.00 C ATOM 0 H ILE A 88 2.923 1.801 1.682 1.00 0.00 H new ATOM 0 HA ILE A 88 1.086 2.796 -0.345 1.00 0.00 H new ATOM 0 HB ILE A 88 1.219 2.812 2.669 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.636 1.171 0.885 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.952 0.579 1.332 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.196 3.392 2.612 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.183 4.671 1.901 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.099 3.570 0.844 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.777 -0.327 2.837 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.342 0.722 3.740 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.270 1.323 3.286 1.00 0.00 H new ATOM 1320 N LYS A 89 2.897 4.876 1.529 1.00 0.00 N ATOM 1321 CA LYS A 89 3.380 6.255 1.600 1.00 0.00 C ATOM 1322 C LYS A 89 4.216 6.604 0.365 1.00 0.00 C ATOM 1323 O LYS A 89 4.171 7.732 -0.131 1.00 0.00 O ATOM 1324 CB LYS A 89 4.207 6.421 2.884 1.00 0.00 C ATOM 1325 CG LYS A 89 4.168 7.865 3.391 1.00 0.00 C ATOM 1326 CD LYS A 89 5.161 8.076 4.541 1.00 0.00 C ATOM 1327 CE LYS A 89 6.470 8.662 4.012 1.00 0.00 C ATOM 1328 NZ LYS A 89 7.445 8.887 5.092 1.00 0.00 N ATOM 0 H LYS A 89 3.255 4.271 2.268 1.00 0.00 H new ATOM 0 HA LYS A 89 2.531 6.938 1.621 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.823 5.753 3.655 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.240 6.128 2.694 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.404 8.547 2.574 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.160 8.108 3.728 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.729 8.746 5.285 1.00 0.00 H new ATOM 0 HD3 LYS A 89 5.355 7.127 5.041 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.898 7.986 3.271 1.00 0.00 H new ATOM 0 HE3 LYS A 89 6.267 9.605 3.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 8.319 9.285 4.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.047 9.552 5.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 7.658 7.984 5.561 1.00 0.00 H new ATOM 1342 N ASP A 90 4.993 5.639 -0.109 1.00 0.00 N ATOM 1343 CA ASP A 90 5.900 5.724 -1.240 1.00 0.00 C ATOM 1344 C ASP A 90 5.159 5.559 -2.564 1.00 0.00 C ATOM 1345 O ASP A 90 5.743 5.814 -3.615 1.00 0.00 O ATOM 1346 CB ASP A 90 6.995 4.652 -1.103 1.00 0.00 C ATOM 1347 CG ASP A 90 8.350 5.177 -1.545 1.00 0.00 C ATOM 1348 OD1 ASP A 90 8.956 5.894 -0.714 1.00 0.00 O ATOM 1349 OD2 ASP A 90 8.810 4.872 -2.668 1.00 0.00 O ATOM 0 H ASP A 90 5.005 4.713 0.318 1.00 0.00 H new ATOM 0 HA ASP A 90 6.357 6.714 -1.240 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.053 4.321 -0.066 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.729 3.781 -1.701 1.00 0.00 H new ATOM 1354 N ALA A 91 3.880 5.152 -2.538 1.00 0.00 N ATOM 1355 CA ALA A 91 3.145 4.792 -3.747 1.00 0.00 C ATOM 1356 C ALA A 91 3.086 5.927 -4.784 1.00 0.00 C ATOM 1357 O ALA A 91 3.064 5.648 -5.980 1.00 0.00 O ATOM 1358 CB ALA A 91 1.739 4.325 -3.375 1.00 0.00 C ATOM 0 H ALA A 91 3.335 5.066 -1.680 1.00 0.00 H new ATOM 0 HA ALA A 91 3.691 3.978 -4.224 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.193 4.057 -4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.806 3.456 -2.721 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.213 5.128 -2.859 1.00 0.00 H new ATOM 1364 N GLY A 92 3.141 7.188 -4.336 1.00 0.00 N ATOM 1365 CA GLY A 92 3.271 8.348 -5.207 1.00 0.00 C ATOM 1366 C GLY A 92 1.906 8.902 -5.572 1.00 0.00 C ATOM 1367 O GLY A 92 1.522 8.823 -6.737 1.00 0.00 O ATOM 0 H GLY A 92 3.095 7.427 -3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.860 9.118 -4.709 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.810 8.070 -6.113 1.00 0.00 H new ATOM 1371 N LEU A 93 1.181 9.440 -4.583 1.00 0.00 N ATOM 1372 CA LEU A 93 -0.222 9.899 -4.587 1.00 0.00 C ATOM 1373 C LEU A 93 -1.231 8.814 -4.877 1.00 0.00 C ATOM 1374 O LEU A 93 -2.239 8.749 -4.187 1.00 0.00 O ATOM 1375 CB LEU A 93 -0.506 11.044 -5.565 1.00 0.00 C ATOM 1376 CG LEU A 93 0.401 12.240 -5.349 1.00 0.00 C ATOM 1377 CD1 LEU A 93 0.010 13.380 -6.287 1.00 0.00 C ATOM 1378 CD2 LEU A 93 0.365 12.752 -3.903 1.00 0.00 C ATOM 0 H LEU A 93 1.602 9.581 -3.665 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.342 10.249 -3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.385 10.682 -6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.545 11.357 -5.459 1.00 0.00 H new ATOM 0 HG LEU A 93 1.415 11.903 -5.564 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.670 14.231 -6.120 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.101 13.048 -7.321 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.020 13.676 -6.090 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.032 13.608 -3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.651 13.052 -3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.689 11.960 -3.228 1.00 0.00 H new ATOM 1390 N SER A 94 -0.961 7.984 -5.863 1.00 0.00 N ATOM 1391 CA SER A 94 -1.777 6.853 -6.251 1.00 0.00 C ATOM 1392 C SER A 94 -1.246 5.632 -5.533 1.00 0.00 C ATOM 1393 O SER A 94 -0.034 5.454 -5.472 1.00 0.00 O ATOM 1394 CB SER A 94 -1.658 6.603 -7.752 1.00 0.00 C ATOM 1395 OG SER A 94 -0.309 6.674 -8.198 1.00 0.00 O ATOM 0 H SER A 94 -0.128 8.085 -6.443 1.00 0.00 H new ATOM 0 HA SER A 94 -2.818 7.052 -5.998 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.067 5.621 -7.990 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.257 7.337 -8.291 1.00 0.00 H new ATOM 0 HG SER A 94 0.288 6.362 -7.486 1.00 0.00 H new ATOM 1401 N VAL A 95 -2.131 4.763 -5.066 1.00 0.00 N ATOM 1402 CA VAL A 95 -1.789 3.453 -4.555 1.00 0.00 C ATOM 1403 C VAL A 95 -2.772 2.469 -5.153 1.00 0.00 C ATOM 1404 O VAL A 95 -3.982 2.659 -5.043 1.00 0.00 O ATOM 1405 CB VAL A 95 -1.758 3.464 -3.018 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -3.094 3.792 -2.326 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -1.243 2.127 -2.495 1.00 0.00 C ATOM 0 H VAL A 95 -3.131 4.959 -5.033 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.784 3.148 -4.847 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.086 4.284 -2.764 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.958 3.772 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.428 4.783 -2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.843 3.053 -2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.225 2.145 -1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.900 1.326 -2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.235 1.953 -2.872 1.00 0.00 H new ATOM 1417 N THR A 96 -2.256 1.445 -5.818 1.00 0.00 N ATOM 1418 CA THR A 96 -3.045 0.385 -6.412 1.00 0.00 C ATOM 1419 C THR A 96 -3.132 -0.751 -5.391 1.00 0.00 C ATOM 1420 O THR A 96 -2.187 -1.524 -5.236 1.00 0.00 O ATOM 1421 CB THR A 96 -2.407 -0.065 -7.739 1.00 0.00 C ATOM 1422 OG1 THR A 96 -1.898 1.024 -8.493 1.00 0.00 O ATOM 1423 CG2 THR A 96 -3.432 -0.804 -8.595 1.00 0.00 C ATOM 0 H THR A 96 -1.253 1.329 -5.961 1.00 0.00 H new ATOM 0 HA THR A 96 -4.053 0.724 -6.653 1.00 0.00 H new ATOM 0 HB THR A 96 -1.577 -0.721 -7.476 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.502 0.689 -9.325 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.967 -1.116 -9.530 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.790 -1.682 -8.057 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.271 -0.142 -8.810 1.00 0.00 H new ATOM 1431 N LEU A 97 -4.245 -0.867 -4.669 1.00 0.00 N ATOM 1432 CA LEU A 97 -4.486 -2.001 -3.782 1.00 0.00 C ATOM 1433 C LEU A 97 -5.195 -3.055 -4.610 1.00 0.00 C ATOM 1434 O LEU A 97 -6.237 -2.786 -5.207 1.00 0.00 O ATOM 1435 CB LEU A 97 -5.343 -1.583 -2.581 1.00 0.00 C ATOM 1436 CG LEU A 97 -4.508 -0.797 -1.558 1.00 0.00 C ATOM 1437 CD1 LEU A 97 -5.422 0.069 -0.695 1.00 0.00 C ATOM 1438 CD2 LEU A 97 -3.697 -1.730 -0.644 1.00 0.00 C ATOM 0 H LEU A 97 -5.000 -0.182 -4.683 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.549 -2.386 -3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.179 -0.971 -2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.768 -2.468 -2.107 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.812 -0.173 -2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.823 0.623 0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.965 0.770 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.132 -0.566 -0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.121 -1.135 0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.376 -2.386 -0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.018 -2.332 -1.248 1.00 0.00 H new ATOM 1450 N ARG A 98 -4.607 -4.247 -4.677 1.00 0.00 N ATOM 1451 CA ARG A 98 -5.155 -5.377 -5.407 1.00 0.00 C ATOM 1452 C ARG A 98 -5.845 -6.258 -4.374 1.00 0.00 C ATOM 1453 O ARG A 98 -5.195 -6.705 -3.423 1.00 0.00 O ATOM 1454 CB ARG A 98 -4.028 -6.040 -6.206 1.00 0.00 C ATOM 1455 CG ARG A 98 -4.486 -7.206 -7.087 1.00 0.00 C ATOM 1456 CD ARG A 98 -3.416 -7.607 -8.119 1.00 0.00 C ATOM 1457 NE ARG A 98 -3.464 -6.698 -9.272 1.00 0.00 N ATOM 1458 CZ ARG A 98 -2.582 -5.774 -9.663 1.00 0.00 C ATOM 1459 NH1 ARG A 98 -1.342 -5.752 -9.191 1.00 0.00 N ATOM 1460 NH2 ARG A 98 -2.957 -4.835 -10.523 1.00 0.00 N ATOM 0 H ARG A 98 -3.721 -4.454 -4.216 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.903 -5.113 -6.155 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -3.553 -5.288 -6.836 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.269 -6.400 -5.512 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.722 -8.064 -6.458 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.404 -6.929 -7.606 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.427 -7.575 -7.661 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -3.582 -8.633 -8.447 1.00 0.00 H new ATOM 0 HE ARG A 98 -4.293 -6.785 -9.861 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.042 -6.452 -8.513 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -0.689 -5.035 -9.507 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -3.912 -4.823 -10.880 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -2.290 -4.126 -10.827 1.00 0.00 H new ATOM 1474 N ILE A 99 -7.157 -6.434 -4.508 1.00 0.00 N ATOM 1475 CA ILE A 99 -8.070 -6.995 -3.511 1.00 0.00 C ATOM 1476 C ILE A 99 -8.939 -8.085 -4.150 1.00 0.00 C ATOM 1477 O ILE A 99 -8.866 -8.289 -5.368 1.00 0.00 O ATOM 1478 CB ILE A 99 -8.910 -5.866 -2.864 1.00 0.00 C ATOM 1479 CG1 ILE A 99 -9.961 -5.267 -3.831 1.00 0.00 C ATOM 1480 CG2 ILE A 99 -8.016 -4.729 -2.330 1.00 0.00 C ATOM 1481 CD1 ILE A 99 -11.377 -5.830 -3.657 1.00 0.00 C ATOM 0 H ILE A 99 -7.642 -6.174 -5.367 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.499 -7.467 -2.711 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.438 -6.337 -2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.993 -4.187 -3.689 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.636 -5.445 -4.856 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.640 -3.955 -1.883 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.334 -5.125 -1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.441 -4.302 -3.152 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.048 -5.356 -4.373 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.364 -6.906 -3.829 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.727 -5.629 -2.644 1.00 0.00 H new ATOM 1493 N ILE A 100 -9.759 -8.775 -3.348 1.00 0.00 N ATOM 1494 CA ILE A 100 -10.690 -9.799 -3.804 1.00 0.00 C ATOM 1495 C ILE A 100 -12.086 -9.497 -3.212 1.00 0.00 C ATOM 1496 O ILE A 100 -12.235 -9.554 -1.988 1.00 0.00 O ATOM 1497 CB ILE A 100 -10.180 -11.205 -3.423 1.00 0.00 C ATOM 1498 CG1 ILE A 100 -8.895 -11.608 -4.177 1.00 0.00 C ATOM 1499 CG2 ILE A 100 -11.249 -12.256 -3.755 1.00 0.00 C ATOM 1500 CD1 ILE A 100 -7.597 -10.971 -3.684 1.00 0.00 C ATOM 0 H ILE A 100 -9.790 -8.628 -2.339 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.767 -9.784 -4.891 1.00 0.00 H new ATOM 0 HB ILE A 100 -9.962 -11.166 -2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.789 -12.691 -4.119 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -9.022 -11.356 -5.230 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -10.883 -13.246 -3.484 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -12.158 -12.040 -3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -11.466 -12.230 -4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.764 -11.329 -4.289 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.668 -9.887 -3.770 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.432 -11.242 -2.641 1.00 0.00 H new ATOM 1512 N PRO A 101 -13.100 -9.181 -4.040 1.00 0.00 N ATOM 1513 CA PRO A 101 -14.504 -9.081 -3.654 1.00 0.00 C ATOM 1514 C PRO A 101 -15.107 -10.486 -3.583 1.00 0.00 C ATOM 1515 O PRO A 101 -14.392 -11.472 -3.754 1.00 0.00 O ATOM 1516 CB PRO A 101 -15.128 -8.249 -4.777 1.00 0.00 C ATOM 1517 CG PRO A 101 -14.429 -8.825 -6.007 1.00 0.00 C ATOM 1518 CD PRO A 101 -13.024 -9.145 -5.490 1.00 0.00 C ATOM 0 HA PRO A 101 -14.669 -8.626 -2.677 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -16.210 -8.371 -4.825 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -14.933 -7.184 -4.655 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -14.935 -9.717 -6.378 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -14.403 -8.109 -6.828 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.678 -10.102 -5.881 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.311 -8.389 -5.820 1.00 0.00 H new ATOM 1526 N GLN A 102 -16.391 -10.613 -3.264 1.00 0.00 N ATOM 1527 CA GLN A 102 -17.087 -11.893 -3.215 1.00 0.00 C ATOM 1528 C GLN A 102 -18.584 -11.637 -3.348 1.00 0.00 C ATOM 1529 O GLN A 102 -19.073 -10.533 -3.094 1.00 0.00 O ATOM 1530 CB GLN A 102 -16.799 -12.592 -1.875 1.00 0.00 C ATOM 1531 CG GLN A 102 -15.623 -13.592 -1.903 1.00 0.00 C ATOM 1532 CD GLN A 102 -14.496 -13.219 -0.940 1.00 0.00 C ATOM 1533 OE1 GLN A 102 -14.076 -14.020 -0.112 1.00 0.00 O ATOM 1534 NE2 GLN A 102 -13.972 -12.011 -1.010 1.00 0.00 N ATOM 0 H GLN A 102 -16.985 -9.818 -3.029 1.00 0.00 H new ATOM 0 HA GLN A 102 -16.743 -12.534 -4.027 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -16.592 -11.831 -1.122 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -17.698 -13.120 -1.556 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -15.993 -14.586 -1.652 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -15.224 -13.647 -2.916 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -14.320 -11.343 -1.698 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -13.219 -11.744 -0.376 1.00 0.00 H new ATOM 1543 N GLU A 103 -19.318 -12.699 -3.656 1.00 0.00 N ATOM 1544 CA GLU A 103 -20.732 -12.676 -4.014 1.00 0.00 C ATOM 1545 C GLU A 103 -21.622 -13.134 -2.858 1.00 0.00 C ATOM 1546 O GLU A 103 -22.830 -13.271 -3.029 1.00 0.00 O ATOM 1547 CB GLU A 103 -20.969 -13.494 -5.287 1.00 0.00 C ATOM 1548 CG GLU A 103 -20.527 -14.957 -5.182 1.00 0.00 C ATOM 1549 CD GLU A 103 -19.010 -15.109 -5.338 1.00 0.00 C ATOM 1550 OE1 GLU A 103 -18.481 -14.888 -6.450 1.00 0.00 O ATOM 1551 OE2 GLU A 103 -18.344 -15.381 -4.314 1.00 0.00 O ATOM 0 H GLU A 103 -18.928 -13.641 -3.664 1.00 0.00 H new ATOM 0 HA GLU A 103 -21.015 -11.644 -4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -22.030 -13.463 -5.533 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -20.436 -13.023 -6.113 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -20.835 -15.361 -4.217 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -21.031 -15.544 -5.949 1.00 0.00 H new ATOM 1558 N GLU A 104 -21.045 -13.344 -1.678 1.00 0.00 N ATOM 1559 CA GLU A 104 -21.708 -13.907 -0.505 1.00 0.00 C ATOM 1560 C GLU A 104 -21.450 -13.050 0.745 1.00 0.00 C ATOM 1561 O GLU A 104 -21.755 -13.447 1.874 1.00 0.00 O ATOM 1562 CB GLU A 104 -21.200 -15.351 -0.365 1.00 0.00 C ATOM 1563 CG GLU A 104 -22.334 -16.375 -0.369 1.00 0.00 C ATOM 1564 CD GLU A 104 -21.802 -17.715 -0.852 1.00 0.00 C ATOM 1565 OE1 GLU A 104 -20.874 -18.254 -0.221 1.00 0.00 O ATOM 1566 OE2 GLU A 104 -22.238 -18.176 -1.934 1.00 0.00 O ATOM 0 H GLU A 104 -20.065 -13.118 -1.506 1.00 0.00 H new ATOM 0 HA GLU A 104 -22.792 -13.911 -0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -20.513 -15.572 -1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -20.634 -15.445 0.562 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -22.751 -16.476 0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -23.142 -16.037 -1.018 1.00 0.00 H new ATOM 1573 N LEU A 105 -20.870 -11.864 0.543 1.00 0.00 N ATOM 1574 CA LEU A 105 -20.334 -10.993 1.578 1.00 0.00 C ATOM 1575 C LEU A 105 -21.043 -9.642 1.500 1.00 0.00 C ATOM 1576 O LEU A 105 -20.436 -8.612 1.190 1.00 0.00 O ATOM 1577 CB LEU A 105 -18.788 -10.935 1.469 1.00 0.00 C ATOM 1578 CG LEU A 105 -18.107 -12.040 2.296 1.00 0.00 C ATOM 1579 CD1 LEU A 105 -16.639 -12.216 1.898 1.00 0.00 C ATOM 1580 CD2 LEU A 105 -18.142 -11.689 3.781 1.00 0.00 C ATOM 0 H LEU A 105 -20.759 -11.472 -0.392 1.00 0.00 H new ATOM 0 HA LEU A 105 -20.531 -11.381 2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -18.495 -11.033 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -18.437 -9.960 1.809 1.00 0.00 H new ATOM 0 HG LEU A 105 -18.654 -12.963 2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -16.190 -13.004 2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -16.578 -12.487 0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -16.103 -11.282 2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -17.657 -12.480 4.353 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -17.617 -10.748 3.945 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -19.177 -11.588 4.107 1.00 0.00 H new ATOM 1592 N ASN A 106 -22.353 -9.659 1.766 1.00 0.00 N ATOM 1593 CA ASN A 106 -23.210 -8.485 1.910 1.00 0.00 C ATOM 1594 C ASN A 106 -24.305 -8.828 2.919 1.00 0.00 C ATOM 1595 O ASN A 106 -25.340 -9.390 2.550 1.00 0.00 O ATOM 1596 CB ASN A 106 -23.829 -8.073 0.563 1.00 0.00 C ATOM 1597 CG ASN A 106 -24.761 -6.868 0.689 1.00 0.00 C ATOM 1598 OD1 ASN A 106 -24.697 -6.090 1.643 1.00 0.00 O ATOM 1599 ND2 ASN A 106 -25.618 -6.664 -0.291 1.00 0.00 N ATOM 0 H ASN A 106 -22.865 -10.532 1.892 1.00 0.00 H new ATOM 0 HA ASN A 106 -22.618 -7.639 2.259 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -23.032 -7.839 -0.143 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -24.384 -8.915 0.149 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -26.238 -5.855 -0.266 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -25.661 -7.315 -1.075 1.00 0.00 H new ATOM 1606 N SER A 107 -24.056 -8.583 4.202 1.00 0.00 N ATOM 1607 CA SER A 107 -24.934 -9.025 5.278 1.00 0.00 C ATOM 1608 C SER A 107 -26.292 -8.294 5.230 1.00 0.00 C ATOM 1609 O SER A 107 -26.339 -7.141 4.774 1.00 0.00 O ATOM 1610 CB SER A 107 -24.215 -8.834 6.619 1.00 0.00 C ATOM 1611 OG SER A 107 -22.820 -9.059 6.471 1.00 0.00 O ATOM 0 H SER A 107 -23.236 -8.070 4.525 1.00 0.00 H new ATOM 0 HA SER A 107 -25.159 -10.084 5.155 1.00 0.00 H new ATOM 0 HB2 SER A 107 -24.389 -7.825 6.991 1.00 0.00 H new ATOM 0 HB3 SER A 107 -24.624 -9.522 7.359 1.00 0.00 H new ATOM 0 HG SER A 107 -22.375 -8.932 7.335 1.00 0.00 H new ATOM 1617 N PRO A 108 -27.390 -8.935 5.668 1.00 0.00 N ATOM 1618 CA PRO A 108 -28.745 -8.412 5.523 1.00 0.00 C ATOM 1619 C PRO A 108 -29.072 -7.349 6.583 1.00 0.00 C ATOM 1620 O PRO A 108 -28.268 -7.057 7.469 1.00 0.00 O ATOM 1621 CB PRO A 108 -29.644 -9.648 5.663 1.00 0.00 C ATOM 1622 CG PRO A 108 -28.883 -10.506 6.668 1.00 0.00 C ATOM 1623 CD PRO A 108 -27.428 -10.260 6.274 1.00 0.00 C ATOM 0 HA PRO A 108 -28.885 -7.902 4.570 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -30.638 -9.386 6.025 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -29.777 -10.162 4.711 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -29.083 -10.202 7.695 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -29.153 -11.559 6.589 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -26.775 -10.308 7.145 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -27.081 -11.019 5.573 1.00 0.00 H new ATOM 1631 N SER A 109 -30.292 -6.814 6.512 1.00 0.00 N ATOM 1632 CA SER A 109 -30.953 -6.063 7.571 1.00 0.00 C ATOM 1633 C SER A 109 -32.347 -6.686 7.777 1.00 0.00 C ATOM 1634 O SER A 109 -32.632 -7.760 7.240 1.00 0.00 O ATOM 1635 CB SER A 109 -30.970 -4.568 7.212 1.00 0.00 C ATOM 1636 OG SER A 109 -31.393 -3.792 8.322 1.00 0.00 O ATOM 0 H SER A 109 -30.869 -6.898 5.675 1.00 0.00 H new ATOM 0 HA SER A 109 -30.422 -6.123 8.521 1.00 0.00 H new ATOM 0 HB2 SER A 109 -29.975 -4.252 6.899 1.00 0.00 H new ATOM 0 HB3 SER A 109 -31.638 -4.399 6.368 1.00 0.00 H new ATOM 0 HG SER A 109 -31.396 -2.843 8.076 1.00 0.00 H new ATOM 1642 N GLY A 110 -33.196 -6.055 8.589 1.00 0.00 N ATOM 1643 CA GLY A 110 -34.563 -6.485 8.867 1.00 0.00 C ATOM 1644 C GLY A 110 -34.628 -7.801 9.653 1.00 0.00 C ATOM 1645 O GLY A 110 -35.196 -8.766 9.151 1.00 0.00 O ATOM 0 H GLY A 110 -32.940 -5.202 9.087 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -35.076 -5.706 9.431 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -35.100 -6.603 7.926 1.00 0.00 H new ATOM 1649 N PRO A 111 -34.098 -7.868 10.890 1.00 0.00 N ATOM 1650 CA PRO A 111 -34.076 -9.105 11.674 1.00 0.00 C ATOM 1651 C PRO A 111 -35.467 -9.586 12.103 1.00 0.00 C ATOM 1652 O PRO A 111 -35.662 -10.778 12.357 1.00 0.00 O ATOM 1653 CB PRO A 111 -33.214 -8.779 12.896 1.00 0.00 C ATOM 1654 CG PRO A 111 -33.345 -7.270 13.063 1.00 0.00 C ATOM 1655 CD PRO A 111 -33.457 -6.785 11.620 1.00 0.00 C ATOM 0 HA PRO A 111 -33.680 -9.925 11.075 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -33.565 -9.308 13.782 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -32.176 -9.072 12.739 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -34.223 -7.002 13.650 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -32.480 -6.841 13.569 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -34.045 -5.870 11.559 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -32.474 -6.561 11.205 1.00 0.00 H new ATOM 1663 N SER A 112 -36.427 -8.673 12.228 1.00 0.00 N ATOM 1664 CA SER A 112 -37.814 -8.961 12.525 1.00 0.00 C ATOM 1665 C SER A 112 -38.590 -7.776 11.966 1.00 0.00 C ATOM 1666 O SER A 112 -38.573 -6.679 12.530 1.00 0.00 O ATOM 1667 CB SER A 112 -37.982 -9.157 14.039 1.00 0.00 C ATOM 1668 OG SER A 112 -39.322 -9.397 14.416 1.00 0.00 O ATOM 0 H SER A 112 -36.245 -7.675 12.120 1.00 0.00 H new ATOM 0 HA SER A 112 -38.182 -9.883 12.076 1.00 0.00 H new ATOM 0 HB2 SER A 112 -37.363 -9.994 14.363 1.00 0.00 H new ATOM 0 HB3 SER A 112 -37.617 -8.271 14.558 1.00 0.00 H new ATOM 0 HG SER A 112 -39.372 -9.516 15.387 1.00 0.00 H new ATOM 1674 N SER A 113 -39.146 -7.933 10.773 1.00 0.00 N ATOM 1675 CA SER A 113 -40.015 -6.982 10.098 1.00 0.00 C ATOM 1676 C SER A 113 -40.913 -7.836 9.196 1.00 0.00 C ATOM 1677 O SER A 113 -40.679 -7.949 7.992 1.00 0.00 O ATOM 1678 CB SER A 113 -39.169 -5.932 9.353 1.00 0.00 C ATOM 1679 OG SER A 113 -38.456 -5.143 10.296 1.00 0.00 O ATOM 0 H SER A 113 -38.993 -8.776 10.219 1.00 0.00 H new ATOM 0 HA SER A 113 -40.637 -6.394 10.773 1.00 0.00 H new ATOM 0 HB2 SER A 113 -38.473 -6.425 8.675 1.00 0.00 H new ATOM 0 HB3 SER A 113 -39.812 -5.297 8.744 1.00 0.00 H new ATOM 0 HG SER A 113 -38.529 -5.550 11.185 1.00 0.00 H new ATOM 1685 N GLY A 114 -41.864 -8.534 9.818 1.00 0.00 N ATOM 1686 CA GLY A 114 -42.331 -9.839 9.387 1.00 0.00 C ATOM 1687 C GLY A 114 -41.817 -10.775 10.460 1.00 0.00 C ATOM 1688 O GLY A 114 -42.035 -10.455 11.646 1.00 0.00 O ATOM 0 H GLY A 114 -42.338 -8.194 10.655 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -43.418 -9.872 9.314 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -41.938 -10.101 8.405 1.00 0.00 H new TER 1692 GLY A 114