USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 584 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 THR OG1 : rot -58:sc= 1.04 USER MOD Set 1.2: A 71 SER OG : rot -109:sc= 0.257 USER MOD Set 1.3: A 74 LYS NZ :NH3+ -173:sc= 0.389 (180deg=0) USER MOD Set 2.1: A 46 HIS : no HD1:sc= 0.35 K(o=0.34,f=-8.9!) USER MOD Set 2.2: A 56 HIS : no HD1:sc=-0.00919 X(o=0.34,f=0.34) USER MOD Single : A 1 ALA N :NH3+ 178:sc= -0.321 (180deg=-0.334) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.323 USER MOD Single : A 12 GLN : amide:sc= 1.72 K(o=1.7,f=-7.6!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -31:sc= 1.02 USER MOD Single : A 22 SER OG : rot 180:sc= -0.142 USER MOD Single : A 26 LYS NZ :NH3+ -129:sc= 0.211 (180deg=-0.109) USER MOD Single : A 27 SER OG : rot -32:sc= 0.445 USER MOD Single : A 32 THR OG1 : rot 70:sc= 0.784 USER MOD Single : A 36 THR OG1 : rot -56:sc= 1.13 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0935 USER MOD Single : A 42 HIS : no HD1:sc= -0.0276 K(o=-0.028,f=-7.4!) USER MOD Single : A 45 SER OG : rot 78:sc= 1.2 USER MOD Single : A 47 LYS NZ :NH3+ -165:sc=-0.00535 (180deg=-0.17) USER MOD Single : A 51 SER OG : rot 61:sc= 0.147 USER MOD Single : A 53 GLN : amide:sc= 0.631 K(o=0.63,f=-6.4!) USER MOD Single : A 55 MET CE :methyl -176:sc= 0 (180deg=-0.0276) USER MOD Single : A 57 HIS : no HE2:sc= -2.35 K(o=-2.3,f=-4.2) USER MOD Single : A 58 THR OG1 : rot -160:sc= -0.0905 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 69 GLN : amide:sc= -0.577 K(o=-0.58,f=-2.6) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0794) USER MOD Single : A 79 SER OG : rot 52:sc= 0.508 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.242 -7.161 -7.076 1.00 0.00 N ATOM 2 CA ALA A 1 14.666 -5.896 -7.506 1.00 0.00 C ATOM 3 C ALA A 1 15.268 -4.734 -6.709 1.00 0.00 C ATOM 4 O ALA A 1 14.581 -3.766 -6.394 1.00 0.00 O ATOM 5 CB ALA A 1 13.139 -5.952 -7.373 1.00 0.00 C ATOM 0 H1 ALA A 1 14.799 -7.941 -7.602 1.00 0.00 H new ATOM 0 H2 ALA A 1 16.266 -7.157 -7.260 1.00 0.00 H new ATOM 0 H3 ALA A 1 15.074 -7.291 -6.058 1.00 0.00 H new ATOM 0 HA ALA A 1 14.906 -5.724 -8.555 1.00 0.00 H new ATOM 0 HB1 ALA A 1 12.711 -5.003 -7.696 1.00 0.00 H new ATOM 0 HB2 ALA A 1 12.749 -6.757 -7.996 1.00 0.00 H new ATOM 0 HB3 ALA A 1 12.871 -6.136 -6.333 1.00 0.00 H new ATOM 12 N VAL A 2 16.560 -4.827 -6.382 1.00 0.00 N ATOM 13 CA VAL A 2 17.262 -3.779 -5.655 1.00 0.00 C ATOM 14 C VAL A 2 17.618 -2.628 -6.606 1.00 0.00 C ATOM 15 O VAL A 2 17.472 -1.460 -6.253 1.00 0.00 O ATOM 16 CB VAL A 2 18.463 -4.369 -4.890 1.00 0.00 C ATOM 17 CG1 VAL A 2 19.550 -4.963 -5.793 1.00 0.00 C ATOM 18 CG2 VAL A 2 19.086 -3.318 -3.963 1.00 0.00 C ATOM 0 H VAL A 2 17.143 -5.631 -6.616 1.00 0.00 H new ATOM 0 HA VAL A 2 16.614 -3.347 -4.892 1.00 0.00 H new ATOM 0 HB VAL A 2 18.055 -5.195 -4.307 1.00 0.00 H new ATOM 0 HG11 VAL A 2 20.359 -5.357 -5.178 1.00 0.00 H new ATOM 0 HG12 VAL A 2 19.125 -5.768 -6.392 1.00 0.00 H new ATOM 0 HG13 VAL A 2 19.940 -4.187 -6.452 1.00 0.00 H new ATOM 0 HG21 VAL A 2 19.932 -3.756 -3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 2 19.429 -2.469 -4.554 1.00 0.00 H new ATOM 0 HG23 VAL A 2 18.341 -2.981 -3.242 1.00 0.00 H new ATOM 28 N ILE A 3 18.057 -2.948 -7.830 1.00 0.00 N ATOM 29 CA ILE A 3 18.439 -1.956 -8.831 1.00 0.00 C ATOM 30 C ILE A 3 17.179 -1.358 -9.472 1.00 0.00 C ATOM 31 O ILE A 3 16.887 -1.602 -10.640 1.00 0.00 O ATOM 32 CB ILE A 3 19.409 -2.572 -9.867 1.00 0.00 C ATOM 33 CG1 ILE A 3 20.567 -3.366 -9.230 1.00 0.00 C ATOM 34 CG2 ILE A 3 19.987 -1.491 -10.796 1.00 0.00 C ATOM 35 CD1 ILE A 3 21.444 -2.551 -8.272 1.00 0.00 C ATOM 0 H ILE A 3 18.156 -3.911 -8.151 1.00 0.00 H new ATOM 0 HA ILE A 3 18.980 -1.139 -8.354 1.00 0.00 H new ATOM 0 HB ILE A 3 18.808 -3.276 -10.442 1.00 0.00 H new ATOM 0 HG12 ILE A 3 20.153 -4.217 -8.689 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.195 -3.768 -10.025 1.00 0.00 H new ATOM 0 HG21 ILE A 3 20.665 -1.953 -11.514 1.00 0.00 H new ATOM 0 HG22 ILE A 3 19.175 -0.998 -11.330 1.00 0.00 H new ATOM 0 HG23 ILE A 3 20.531 -0.755 -10.204 1.00 0.00 H new ATOM 0 HD11 ILE A 3 22.233 -3.187 -7.870 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.891 -1.715 -8.810 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.833 -2.171 -7.454 1.00 0.00 H new ATOM 47 N THR A 4 16.421 -0.589 -8.691 1.00 0.00 N ATOM 48 CA THR A 4 15.209 0.123 -9.080 1.00 0.00 C ATOM 49 C THR A 4 14.757 0.903 -7.839 1.00 0.00 C ATOM 50 O THR A 4 15.559 1.123 -6.930 1.00 0.00 O ATOM 51 CB THR A 4 14.139 -0.826 -9.674 1.00 0.00 C ATOM 52 OG1 THR A 4 12.948 -0.129 -9.990 1.00 0.00 O ATOM 53 CG2 THR A 4 13.803 -1.996 -8.750 1.00 0.00 C ATOM 0 H THR A 4 16.653 -0.439 -7.709 1.00 0.00 H new ATOM 0 HA THR A 4 15.391 0.822 -9.896 1.00 0.00 H new ATOM 0 HB THR A 4 14.580 -1.230 -10.585 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.293 -0.754 -10.364 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.048 -2.626 -9.220 1.00 0.00 H new ATOM 0 HG22 THR A 4 14.702 -2.584 -8.566 1.00 0.00 H new ATOM 0 HG23 THR A 4 13.419 -1.614 -7.804 1.00 0.00 H new ATOM 61 N GLY A 5 13.487 1.302 -7.771 1.00 0.00 N ATOM 62 CA GLY A 5 12.917 2.063 -6.670 1.00 0.00 C ATOM 63 C GLY A 5 12.679 1.198 -5.433 1.00 0.00 C ATOM 64 O GLY A 5 11.557 1.130 -4.935 1.00 0.00 O ATOM 0 H GLY A 5 12.810 1.096 -8.505 1.00 0.00 H new ATOM 0 HA2 GLY A 5 13.586 2.884 -6.414 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.974 2.507 -6.988 1.00 0.00 H new ATOM 68 N ALA A 6 13.726 0.528 -4.946 1.00 0.00 N ATOM 69 CA ALA A 6 13.694 -0.281 -3.736 1.00 0.00 C ATOM 70 C ALA A 6 13.702 0.671 -2.545 1.00 0.00 C ATOM 71 O ALA A 6 14.610 1.494 -2.438 1.00 0.00 O ATOM 72 CB ALA A 6 14.899 -1.221 -3.714 1.00 0.00 C ATOM 0 H ALA A 6 14.641 0.537 -5.397 1.00 0.00 H new ATOM 0 HA ALA A 6 12.799 -0.901 -3.697 1.00 0.00 H new ATOM 0 HB1 ALA A 6 14.873 -1.825 -2.807 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.867 -1.874 -4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.818 -0.635 -3.733 1.00 0.00 H new ATOM 78 N CYS A 7 12.677 0.622 -1.690 1.00 0.00 N ATOM 79 CA CYS A 7 12.569 1.529 -0.553 1.00 0.00 C ATOM 80 C CYS A 7 12.012 0.829 0.680 1.00 0.00 C ATOM 81 O CYS A 7 11.263 -0.138 0.560 1.00 0.00 O ATOM 82 CB CYS A 7 11.750 2.761 -0.938 1.00 0.00 C ATOM 83 SG CYS A 7 9.970 2.518 -1.134 1.00 0.00 S ATOM 0 H CYS A 7 11.907 -0.042 -1.768 1.00 0.00 H new ATOM 0 HA CYS A 7 13.571 1.863 -0.284 1.00 0.00 H new ATOM 0 HB2 CYS A 7 11.908 3.527 -0.178 1.00 0.00 H new ATOM 0 HB3 CYS A 7 12.146 3.155 -1.874 1.00 0.00 H new ATOM 88 N GLU A 8 12.386 1.330 1.862 1.00 0.00 N ATOM 89 CA GLU A 8 11.970 0.809 3.156 1.00 0.00 C ATOM 90 C GLU A 8 10.941 1.728 3.816 1.00 0.00 C ATOM 91 O GLU A 8 10.010 1.219 4.434 1.00 0.00 O ATOM 92 CB GLU A 8 13.203 0.605 4.050 1.00 0.00 C ATOM 93 CG GLU A 8 14.189 -0.410 3.450 1.00 0.00 C ATOM 94 CD GLU A 8 13.548 -1.771 3.186 1.00 0.00 C ATOM 95 OE1 GLU A 8 12.897 -2.283 4.124 1.00 0.00 O ATOM 96 OE2 GLU A 8 13.709 -2.271 2.052 1.00 0.00 O ATOM 0 H GLU A 8 13.007 2.135 1.940 1.00 0.00 H new ATOM 0 HA GLU A 8 11.485 -0.156 3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.709 1.560 4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.884 0.262 5.034 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.588 -0.014 2.516 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.032 -0.536 4.129 1.00 0.00 H new ATOM 103 N ARG A 9 11.089 3.052 3.699 1.00 0.00 N ATOM 104 CA ARG A 9 10.159 4.030 4.261 1.00 0.00 C ATOM 105 C ARG A 9 9.720 4.972 3.147 1.00 0.00 C ATOM 106 O ARG A 9 10.563 5.513 2.434 1.00 0.00 O ATOM 107 CB ARG A 9 10.781 4.848 5.397 1.00 0.00 C ATOM 108 CG ARG A 9 11.560 4.004 6.411 1.00 0.00 C ATOM 109 CD ARG A 9 13.048 3.921 6.053 1.00 0.00 C ATOM 110 NE ARG A 9 13.662 2.761 6.698 1.00 0.00 N ATOM 111 CZ ARG A 9 14.942 2.392 6.582 1.00 0.00 C ATOM 112 NH1 ARG A 9 15.816 3.153 5.915 1.00 0.00 N ATOM 113 NH2 ARG A 9 15.317 1.237 7.135 1.00 0.00 N ATOM 0 H ARG A 9 11.872 3.478 3.203 1.00 0.00 H new ATOM 0 HA ARG A 9 9.312 3.487 4.681 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.450 5.595 4.970 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.991 5.388 5.918 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.448 4.435 7.406 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.138 3.000 6.450 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.165 3.849 4.972 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.556 4.832 6.368 1.00 0.00 H new ATOM 0 HE ARG A 9 13.062 2.184 7.287 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.509 4.027 5.487 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.790 2.860 5.834 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.634 0.663 7.629 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.287 0.928 7.063 1.00 0.00 H new ATOM 127 N ASP A 10 8.408 5.169 3.022 1.00 0.00 N ATOM 128 CA ASP A 10 7.742 5.947 1.974 1.00 0.00 C ATOM 129 C ASP A 10 8.503 7.229 1.630 1.00 0.00 C ATOM 130 O ASP A 10 8.754 7.532 0.463 1.00 0.00 O ATOM 131 CB ASP A 10 6.320 6.328 2.406 1.00 0.00 C ATOM 132 CG ASP A 10 5.489 5.195 2.972 1.00 0.00 C ATOM 133 OD1 ASP A 10 5.687 4.011 2.615 1.00 0.00 O ATOM 134 OD2 ASP A 10 4.632 5.513 3.823 1.00 0.00 O ATOM 0 H ASP A 10 7.744 4.769 3.685 1.00 0.00 H new ATOM 0 HA ASP A 10 7.713 5.311 1.089 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.385 7.118 3.154 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.797 6.746 1.546 1.00 0.00 H new ATOM 139 N LEU A 11 8.856 7.975 2.682 1.00 0.00 N ATOM 140 CA LEU A 11 9.570 9.244 2.630 1.00 0.00 C ATOM 141 C LEU A 11 10.777 9.194 1.690 1.00 0.00 C ATOM 142 O LEU A 11 11.043 10.165 0.987 1.00 0.00 O ATOM 143 CB LEU A 11 9.996 9.629 4.056 1.00 0.00 C ATOM 144 CG LEU A 11 10.710 10.988 4.159 1.00 0.00 C ATOM 145 CD1 LEU A 11 9.818 12.141 3.681 1.00 0.00 C ATOM 146 CD2 LEU A 11 11.110 11.232 5.618 1.00 0.00 C ATOM 0 H LEU A 11 8.638 7.692 3.637 1.00 0.00 H new ATOM 0 HA LEU A 11 8.901 10.003 2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.112 9.647 4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.656 8.855 4.447 1.00 0.00 H new ATOM 0 HG LEU A 11 11.590 10.957 3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 11 10.361 13.082 3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.542 11.979 2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.917 12.182 4.293 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.617 12.193 5.700 1.00 0.00 H new ATOM 0 HD22 LEU A 11 10.218 11.237 6.244 1.00 0.00 H new ATOM 0 HD23 LEU A 11 11.780 10.439 5.949 1.00 0.00 H new ATOM 158 N GLN A 12 11.514 8.078 1.681 1.00 0.00 N ATOM 159 CA GLN A 12 12.676 7.909 0.826 1.00 0.00 C ATOM 160 C GLN A 12 12.325 8.099 -0.650 1.00 0.00 C ATOM 161 O GLN A 12 13.161 8.572 -1.415 1.00 0.00 O ATOM 162 CB GLN A 12 13.252 6.501 1.012 1.00 0.00 C ATOM 163 CG GLN A 12 13.683 6.221 2.454 1.00 0.00 C ATOM 164 CD GLN A 12 14.183 4.792 2.596 1.00 0.00 C ATOM 165 OE1 GLN A 12 13.450 3.844 2.333 1.00 0.00 O ATOM 166 NE2 GLN A 12 15.419 4.600 3.035 1.00 0.00 N ATOM 0 H GLN A 12 11.315 7.270 2.270 1.00 0.00 H new ATOM 0 HA GLN A 12 13.406 8.666 1.111 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.506 5.766 0.712 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.109 6.374 0.350 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.469 6.918 2.746 1.00 0.00 H new ATOM 0 HG3 GLN A 12 12.843 6.387 3.129 1.00 0.00 H new ATOM 0 HE21 GLN A 12 16.014 5.400 3.249 1.00 0.00 H new ATOM 0 HE22 GLN A 12 15.775 3.652 3.159 1.00 0.00 H new ATOM 175 N CYS A 13 11.116 7.689 -1.049 1.00 0.00 N ATOM 176 CA CYS A 13 10.687 7.722 -2.438 1.00 0.00 C ATOM 177 C CYS A 13 9.761 8.895 -2.738 1.00 0.00 C ATOM 178 O CYS A 13 10.003 9.641 -3.684 1.00 0.00 O ATOM 179 CB CYS A 13 10.043 6.392 -2.814 1.00 0.00 C ATOM 180 SG CYS A 13 10.146 6.103 -4.588 1.00 0.00 S ATOM 0 H CYS A 13 10.410 7.325 -0.409 1.00 0.00 H new ATOM 0 HA CYS A 13 11.573 7.873 -3.055 1.00 0.00 H new ATOM 0 HB2 CYS A 13 10.538 5.581 -2.281 1.00 0.00 H new ATOM 0 HB3 CYS A 13 8.999 6.388 -2.502 1.00 0.00 H new ATOM 185 N GLY A 14 8.700 9.064 -1.944 1.00 0.00 N ATOM 186 CA GLY A 14 7.747 10.150 -2.125 1.00 0.00 C ATOM 187 C GLY A 14 6.342 9.732 -1.702 1.00 0.00 C ATOM 188 O GLY A 14 5.902 8.626 -2.014 1.00 0.00 O ATOM 0 H GLY A 14 8.482 8.449 -1.160 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.063 11.015 -1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.738 10.458 -3.171 1.00 0.00 H new ATOM 192 N LYS A 15 5.621 10.651 -1.048 1.00 0.00 N ATOM 193 CA LYS A 15 4.275 10.457 -0.510 1.00 0.00 C ATOM 194 C LYS A 15 3.261 9.956 -1.547 1.00 0.00 C ATOM 195 O LYS A 15 2.260 9.345 -1.184 1.00 0.00 O ATOM 196 CB LYS A 15 3.785 11.761 0.137 1.00 0.00 C ATOM 197 CG LYS A 15 4.722 12.251 1.251 1.00 0.00 C ATOM 198 CD LYS A 15 4.087 13.432 1.992 1.00 0.00 C ATOM 199 CE LYS A 15 5.094 14.061 2.961 1.00 0.00 C ATOM 200 NZ LYS A 15 4.468 15.120 3.772 1.00 0.00 N ATOM 0 H LYS A 15 5.978 11.590 -0.873 1.00 0.00 H new ATOM 0 HA LYS A 15 4.347 9.668 0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.700 12.533 -0.628 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.787 11.607 0.547 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.924 11.439 1.950 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.680 12.551 0.826 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.748 14.179 1.275 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.208 13.095 2.540 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.501 13.291 3.616 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.931 14.477 2.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.175 15.526 4.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.102 15.866 3.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.685 14.717 4.325 1.00 0.00 H new ATOM 214 N GLY A 16 3.499 10.217 -2.837 1.00 0.00 N ATOM 215 CA GLY A 16 2.648 9.718 -3.914 1.00 0.00 C ATOM 216 C GLY A 16 2.733 8.192 -4.052 1.00 0.00 C ATOM 217 O GLY A 16 1.995 7.589 -4.831 1.00 0.00 O ATOM 0 H GLY A 16 4.286 10.779 -3.160 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.615 10.008 -3.724 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.942 10.184 -4.854 1.00 0.00 H new ATOM 221 N THR A 17 3.646 7.554 -3.318 1.00 0.00 N ATOM 222 CA THR A 17 3.829 6.120 -3.301 1.00 0.00 C ATOM 223 C THR A 17 4.022 5.702 -1.843 1.00 0.00 C ATOM 224 O THR A 17 4.113 6.557 -0.962 1.00 0.00 O ATOM 225 CB THR A 17 5.091 5.780 -4.125 1.00 0.00 C ATOM 226 OG1 THR A 17 6.259 6.277 -3.497 1.00 0.00 O ATOM 227 CG2 THR A 17 5.061 6.354 -5.546 1.00 0.00 C ATOM 0 H THR A 17 4.294 8.046 -2.703 1.00 0.00 H new ATOM 0 HA THR A 17 2.973 5.598 -3.729 1.00 0.00 H new ATOM 0 HB THR A 17 5.104 4.692 -4.182 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.042 7.096 -3.005 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.977 6.078 -6.069 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.201 5.952 -6.083 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.984 7.440 -5.498 1.00 0.00 H new ATOM 235 N CYS A 18 4.083 4.397 -1.588 1.00 0.00 N ATOM 236 CA CYS A 18 4.498 3.854 -0.311 1.00 0.00 C ATOM 237 C CYS A 18 5.475 2.738 -0.594 1.00 0.00 C ATOM 238 O CYS A 18 5.612 2.262 -1.723 1.00 0.00 O ATOM 239 CB CYS A 18 3.360 3.310 0.553 1.00 0.00 C ATOM 240 SG CYS A 18 2.934 1.569 0.336 1.00 0.00 S ATOM 0 H CYS A 18 3.841 3.684 -2.276 1.00 0.00 H new ATOM 0 HA CYS A 18 4.934 4.672 0.262 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.622 3.468 1.599 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.469 3.905 0.355 1.00 0.00 H new ATOM 245 N CYS A 19 6.123 2.314 0.473 1.00 0.00 N ATOM 246 CA CYS A 19 7.111 1.244 0.406 1.00 0.00 C ATOM 247 C CYS A 19 6.420 -0.074 0.728 1.00 0.00 C ATOM 248 O CYS A 19 6.215 -0.384 1.901 1.00 0.00 O ATOM 249 CB CYS A 19 8.300 1.564 1.312 1.00 0.00 C ATOM 250 SG CYS A 19 9.239 2.996 0.744 1.00 0.00 S ATOM 0 H CYS A 19 5.984 2.696 1.408 1.00 0.00 H new ATOM 0 HA CYS A 19 7.528 1.152 -0.597 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.941 1.748 2.325 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.959 0.697 1.360 1.00 0.00 H new ATOM 255 N ALA A 20 6.035 -0.838 -0.301 1.00 0.00 N ATOM 256 CA ALA A 20 5.316 -2.102 -0.144 1.00 0.00 C ATOM 257 C ALA A 20 6.081 -3.257 -0.784 1.00 0.00 C ATOM 258 O ALA A 20 6.944 -3.036 -1.632 1.00 0.00 O ATOM 259 CB ALA A 20 3.915 -1.981 -0.737 1.00 0.00 C ATOM 0 H ALA A 20 6.217 -0.591 -1.274 1.00 0.00 H new ATOM 0 HA ALA A 20 5.229 -2.319 0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.386 -2.926 -0.616 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.369 -1.191 -0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.988 -1.739 -1.797 1.00 0.00 H new ATOM 265 N VAL A 21 5.780 -4.486 -0.353 1.00 0.00 N ATOM 266 CA VAL A 21 6.480 -5.684 -0.808 1.00 0.00 C ATOM 267 C VAL A 21 6.451 -5.827 -2.338 1.00 0.00 C ATOM 268 O VAL A 21 5.419 -5.628 -2.974 1.00 0.00 O ATOM 269 CB VAL A 21 5.893 -6.946 -0.140 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.675 -8.191 -0.556 1.00 0.00 C ATOM 271 CG2 VAL A 21 5.920 -6.895 1.390 1.00 0.00 C ATOM 0 H VAL A 21 5.041 -4.675 0.324 1.00 0.00 H new ATOM 0 HA VAL A 21 7.523 -5.577 -0.510 1.00 0.00 H new ATOM 0 HB VAL A 21 4.857 -6.987 -0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.245 -9.069 -0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.622 -8.309 -1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.717 -8.085 -0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.493 -7.813 1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.950 -6.794 1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.337 -6.042 1.736 1.00 0.00 H new ATOM 281 N SER A 22 7.578 -6.219 -2.936 1.00 0.00 N ATOM 282 CA SER A 22 7.686 -6.471 -4.357 1.00 0.00 C ATOM 283 C SER A 22 6.914 -7.754 -4.675 1.00 0.00 C ATOM 284 O SER A 22 7.297 -8.825 -4.217 1.00 0.00 O ATOM 285 CB SER A 22 9.172 -6.603 -4.705 1.00 0.00 C ATOM 286 OG SER A 22 9.857 -5.440 -4.301 1.00 0.00 O ATOM 0 H SER A 22 8.450 -6.370 -2.430 1.00 0.00 H new ATOM 0 HA SER A 22 7.263 -5.659 -4.949 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.595 -7.477 -4.210 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.293 -6.754 -5.778 1.00 0.00 H new ATOM 0 HG SER A 22 10.808 -5.527 -4.523 1.00 0.00 H new ATOM 292 N LEU A 23 5.859 -7.676 -5.490 1.00 0.00 N ATOM 293 CA LEU A 23 4.954 -8.780 -5.842 1.00 0.00 C ATOM 294 C LEU A 23 5.597 -10.007 -6.512 1.00 0.00 C ATOM 295 O LEU A 23 4.870 -10.906 -6.928 1.00 0.00 O ATOM 296 CB LEU A 23 3.812 -8.213 -6.698 1.00 0.00 C ATOM 297 CG LEU A 23 2.876 -7.329 -5.863 1.00 0.00 C ATOM 298 CD1 LEU A 23 2.319 -6.176 -6.687 1.00 0.00 C ATOM 299 CD2 LEU A 23 1.698 -8.139 -5.321 1.00 0.00 C ATOM 0 H LEU A 23 5.598 -6.801 -5.945 1.00 0.00 H new ATOM 0 HA LEU A 23 4.591 -9.185 -4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.226 -7.632 -7.522 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.244 -9.032 -7.140 1.00 0.00 H new ATOM 0 HG LEU A 23 3.470 -6.935 -5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.660 -5.570 -6.066 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.141 -5.560 -7.053 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.757 -6.572 -7.533 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.050 -7.489 -4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.132 -8.560 -6.152 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.071 -8.946 -4.691 1.00 0.00 H new ATOM 311 N TRP A 24 6.928 -10.080 -6.606 1.00 0.00 N ATOM 312 CA TRP A 24 7.648 -11.195 -7.202 1.00 0.00 C ATOM 313 C TRP A 24 8.783 -11.584 -6.248 1.00 0.00 C ATOM 314 O TRP A 24 8.642 -12.567 -5.521 1.00 0.00 O ATOM 315 CB TRP A 24 8.020 -10.861 -8.661 1.00 0.00 C ATOM 316 CG TRP A 24 6.834 -10.390 -9.449 1.00 0.00 C ATOM 317 CD1 TRP A 24 5.905 -11.190 -10.018 1.00 0.00 C ATOM 318 CD2 TRP A 24 6.310 -9.031 -9.566 1.00 0.00 C ATOM 319 NE1 TRP A 24 4.840 -10.432 -10.462 1.00 0.00 N ATOM 320 CE2 TRP A 24 5.028 -9.095 -10.185 1.00 0.00 C ATOM 321 CE3 TRP A 24 6.757 -7.757 -9.151 1.00 0.00 C ATOM 322 CZ2 TRP A 24 4.224 -7.961 -10.369 1.00 0.00 C ATOM 323 CZ3 TRP A 24 5.961 -6.610 -9.334 1.00 0.00 C ATOM 324 CH2 TRP A 24 4.682 -6.716 -9.909 1.00 0.00 C ATOM 0 H TRP A 24 7.544 -9.345 -6.260 1.00 0.00 H new ATOM 0 HA TRP A 24 7.046 -12.097 -7.308 1.00 0.00 H new ATOM 0 HB2 TRP A 24 8.791 -10.091 -8.671 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.445 -11.744 -9.138 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.984 -12.263 -10.111 1.00 0.00 H new ATOM 0 HE1 TRP A 24 4.020 -10.812 -10.934 1.00 0.00 H new ATOM 0 HE3 TRP A 24 7.727 -7.661 -8.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.265 -8.044 -10.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 6.335 -5.643 -9.031 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.054 -5.842 -9.997 1.00 0.00 H new ATOM 335 N ILE A 25 9.865 -10.801 -6.155 1.00 0.00 N ATOM 336 CA ILE A 25 10.936 -11.064 -5.202 1.00 0.00 C ATOM 337 C ILE A 25 10.520 -10.443 -3.866 1.00 0.00 C ATOM 338 O ILE A 25 11.049 -9.427 -3.419 1.00 0.00 O ATOM 339 CB ILE A 25 12.294 -10.601 -5.765 1.00 0.00 C ATOM 340 CG1 ILE A 25 13.436 -11.065 -4.844 1.00 0.00 C ATOM 341 CG2 ILE A 25 12.381 -9.093 -6.035 1.00 0.00 C ATOM 342 CD1 ILE A 25 14.819 -10.784 -5.438 1.00 0.00 C ATOM 0 H ILE A 25 10.017 -9.976 -6.735 1.00 0.00 H new ATOM 0 HA ILE A 25 11.087 -12.129 -5.026 1.00 0.00 H new ATOM 0 HB ILE A 25 12.396 -11.073 -6.742 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.349 -10.562 -3.881 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.335 -12.134 -4.656 1.00 0.00 H new ATOM 0 HG21 ILE A 25 13.368 -8.850 -6.429 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.620 -8.809 -6.762 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.217 -8.547 -5.106 1.00 0.00 H new ATOM 0 HD11 ILE A 25 15.589 -11.131 -4.748 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.920 -11.308 -6.388 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.934 -9.712 -5.601 1.00 0.00 H new ATOM 354 N LYS A 26 9.573 -11.103 -3.199 1.00 0.00 N ATOM 355 CA LYS A 26 8.928 -10.658 -1.963 1.00 0.00 C ATOM 356 C LYS A 26 9.865 -10.402 -0.770 1.00 0.00 C ATOM 357 O LYS A 26 9.389 -10.053 0.307 1.00 0.00 O ATOM 358 CB LYS A 26 7.792 -11.637 -1.626 1.00 0.00 C ATOM 359 CG LYS A 26 6.702 -11.585 -2.710 1.00 0.00 C ATOM 360 CD LYS A 26 5.727 -12.764 -2.601 1.00 0.00 C ATOM 361 CE LYS A 26 4.860 -12.866 -3.864 1.00 0.00 C ATOM 362 NZ LYS A 26 5.634 -13.330 -5.031 1.00 0.00 N ATOM 0 H LYS A 26 9.218 -12.004 -3.520 1.00 0.00 H new ATOM 0 HA LYS A 26 8.529 -9.662 -2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.187 -12.650 -1.547 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.362 -11.386 -0.656 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.150 -10.649 -2.625 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.169 -11.591 -3.695 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.283 -13.691 -2.459 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.090 -12.637 -1.725 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.033 -13.552 -3.681 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.423 -11.892 -4.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.479 -12.683 -5.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.646 -13.348 -4.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.324 -14.287 -5.295 1.00 0.00 H new ATOM 376 N SER A 27 11.184 -10.544 -0.938 1.00 0.00 N ATOM 377 CA SER A 27 12.160 -10.200 0.086 1.00 0.00 C ATOM 378 C SER A 27 12.549 -8.718 -0.026 1.00 0.00 C ATOM 379 O SER A 27 13.263 -8.225 0.845 1.00 0.00 O ATOM 380 CB SER A 27 13.403 -11.086 -0.056 1.00 0.00 C ATOM 381 OG SER A 27 14.290 -10.851 1.021 1.00 0.00 O ATOM 0 H SER A 27 11.601 -10.904 -1.796 1.00 0.00 H new ATOM 0 HA SER A 27 11.716 -10.370 1.067 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.111 -12.136 -0.075 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.903 -10.877 -1.002 1.00 0.00 H new ATOM 0 HG SER A 27 14.217 -9.917 1.307 1.00 0.00 H new ATOM 387 N VAL A 28 12.145 -8.034 -1.103 1.00 0.00 N ATOM 388 CA VAL A 28 12.444 -6.633 -1.368 1.00 0.00 C ATOM 389 C VAL A 28 11.133 -5.848 -1.344 1.00 0.00 C ATOM 390 O VAL A 28 10.092 -6.391 -1.716 1.00 0.00 O ATOM 391 CB VAL A 28 13.106 -6.542 -2.755 1.00 0.00 C ATOM 392 CG1 VAL A 28 13.298 -5.096 -3.225 1.00 0.00 C ATOM 393 CG2 VAL A 28 14.461 -7.262 -2.766 1.00 0.00 C ATOM 0 H VAL A 28 11.581 -8.462 -1.837 1.00 0.00 H new ATOM 0 HA VAL A 28 13.119 -6.219 -0.619 1.00 0.00 H new ATOM 0 HB VAL A 28 12.423 -7.032 -3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.769 -5.092 -4.208 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.329 -4.601 -3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.933 -4.565 -2.517 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.907 -7.183 -3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.123 -6.802 -2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.317 -8.313 -2.516 1.00 0.00 H new ATOM 403 N ARG A 29 11.163 -4.570 -0.948 1.00 0.00 N ATOM 404 CA ARG A 29 9.998 -3.691 -0.978 1.00 0.00 C ATOM 405 C ARG A 29 10.320 -2.495 -1.879 1.00 0.00 C ATOM 406 O ARG A 29 11.460 -2.025 -1.890 1.00 0.00 O ATOM 407 CB ARG A 29 9.557 -3.281 0.432 1.00 0.00 C ATOM 408 CG ARG A 29 9.543 -4.455 1.427 1.00 0.00 C ATOM 409 CD ARG A 29 8.400 -4.380 2.452 1.00 0.00 C ATOM 410 NE ARG A 29 8.016 -3.011 2.813 1.00 0.00 N ATOM 411 CZ ARG A 29 8.790 -2.138 3.467 1.00 0.00 C ATOM 412 NH1 ARG A 29 9.975 -2.518 3.950 1.00 0.00 N ATOM 413 NH2 ARG A 29 8.368 -0.881 3.607 1.00 0.00 N ATOM 0 H ARG A 29 12.006 -4.117 -0.595 1.00 0.00 H new ATOM 0 HA ARG A 29 9.142 -4.221 -1.396 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.226 -2.505 0.804 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.560 -2.844 0.381 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.461 -5.390 0.872 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.495 -4.482 1.958 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.529 -4.897 2.049 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.698 -4.913 3.354 1.00 0.00 H new ATOM 0 HE ARG A 29 7.083 -2.700 2.543 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.294 -3.478 3.821 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.561 -1.848 4.448 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.468 -0.599 3.218 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.945 -0.202 4.103 1.00 0.00 H new ATOM 427 N VAL A 30 9.342 -2.033 -2.665 1.00 0.00 N ATOM 428 CA VAL A 30 9.529 -0.996 -3.674 1.00 0.00 C ATOM 429 C VAL A 30 8.479 0.112 -3.592 1.00 0.00 C ATOM 430 O VAL A 30 7.417 -0.049 -2.977 1.00 0.00 O ATOM 431 CB VAL A 30 9.522 -1.618 -5.088 1.00 0.00 C ATOM 432 CG1 VAL A 30 10.792 -2.427 -5.372 1.00 0.00 C ATOM 433 CG2 VAL A 30 8.279 -2.487 -5.326 1.00 0.00 C ATOM 0 H VAL A 30 8.383 -2.378 -2.614 1.00 0.00 H new ATOM 0 HA VAL A 30 10.497 -0.537 -3.473 1.00 0.00 H new ATOM 0 HB VAL A 30 9.493 -0.780 -5.785 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.740 -2.844 -6.378 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.663 -1.776 -5.293 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.877 -3.237 -4.647 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.314 -2.905 -6.332 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.257 -3.297 -4.597 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.382 -1.877 -5.218 1.00 0.00 H new ATOM 443 N CYS A 31 8.802 1.229 -4.258 1.00 0.00 N ATOM 444 CA CYS A 31 7.962 2.410 -4.409 1.00 0.00 C ATOM 445 C CYS A 31 6.697 2.009 -5.162 1.00 0.00 C ATOM 446 O CYS A 31 6.642 2.061 -6.389 1.00 0.00 O ATOM 447 CB CYS A 31 8.675 3.513 -5.205 1.00 0.00 C ATOM 448 SG CYS A 31 10.314 4.037 -4.671 1.00 0.00 S ATOM 0 H CYS A 31 9.702 1.332 -4.727 1.00 0.00 H new ATOM 0 HA CYS A 31 7.731 2.798 -3.417 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.755 3.177 -6.239 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.030 4.392 -5.205 1.00 0.00 H new ATOM 453 N THR A 32 5.668 1.614 -4.428 1.00 0.00 N ATOM 454 CA THR A 32 4.409 1.159 -4.981 1.00 0.00 C ATOM 455 C THR A 32 3.436 2.343 -4.907 1.00 0.00 C ATOM 456 O THR A 32 3.377 2.989 -3.864 1.00 0.00 O ATOM 457 CB THR A 32 3.976 -0.056 -4.153 1.00 0.00 C ATOM 458 OG1 THR A 32 5.009 -1.022 -4.180 1.00 0.00 O ATOM 459 CG2 THR A 32 2.685 -0.689 -4.677 1.00 0.00 C ATOM 0 H THR A 32 5.689 1.602 -3.408 1.00 0.00 H new ATOM 0 HA THR A 32 4.460 0.844 -6.023 1.00 0.00 H new ATOM 0 HB THR A 32 3.785 0.287 -3.136 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.776 -0.695 -3.665 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.422 -1.545 -4.056 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.880 0.045 -4.643 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.833 -1.018 -5.706 1.00 0.00 H new ATOM 467 N PRO A 33 2.727 2.713 -5.986 1.00 0.00 N ATOM 468 CA PRO A 33 1.796 3.835 -5.969 1.00 0.00 C ATOM 469 C PRO A 33 0.765 3.752 -4.840 1.00 0.00 C ATOM 470 O PRO A 33 0.379 2.653 -4.440 1.00 0.00 O ATOM 471 CB PRO A 33 1.097 3.803 -7.330 1.00 0.00 C ATOM 472 CG PRO A 33 2.146 3.173 -8.244 1.00 0.00 C ATOM 473 CD PRO A 33 2.834 2.160 -7.328 1.00 0.00 C ATOM 0 HA PRO A 33 2.337 4.764 -5.789 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.182 3.212 -7.299 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.819 4.803 -7.664 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.691 2.691 -9.109 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.848 3.915 -8.625 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.352 1.184 -7.390 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.877 2.019 -7.612 1.00 0.00 H new ATOM 481 N VAL A 34 0.318 4.905 -4.325 1.00 0.00 N ATOM 482 CA VAL A 34 -0.774 4.908 -3.352 1.00 0.00 C ATOM 483 C VAL A 34 -2.006 4.248 -3.986 1.00 0.00 C ATOM 484 O VAL A 34 -2.198 4.317 -5.201 1.00 0.00 O ATOM 485 CB VAL A 34 -1.114 6.326 -2.856 1.00 0.00 C ATOM 486 CG1 VAL A 34 -0.078 6.851 -1.859 1.00 0.00 C ATOM 487 CG2 VAL A 34 -1.292 7.324 -4.004 1.00 0.00 C ATOM 0 H VAL A 34 0.687 5.826 -4.561 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.454 4.343 -2.477 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.071 6.235 -2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.359 7.854 -1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.038 6.189 -0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.902 6.884 -2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.530 8.307 -3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.369 7.384 -4.581 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.104 6.993 -4.652 1.00 0.00 H new ATOM 497 N GLY A 35 -2.842 3.605 -3.170 1.00 0.00 N ATOM 498 CA GLY A 35 -4.027 2.918 -3.651 1.00 0.00 C ATOM 499 C GLY A 35 -4.982 3.858 -4.380 1.00 0.00 C ATOM 500 O GLY A 35 -5.039 5.049 -4.091 1.00 0.00 O ATOM 0 H GLY A 35 -2.712 3.549 -2.160 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.730 2.112 -4.322 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.545 2.458 -2.809 1.00 0.00 H new ATOM 504 N THR A 36 -5.756 3.328 -5.320 1.00 0.00 N ATOM 505 CA THR A 36 -6.741 4.079 -6.084 1.00 0.00 C ATOM 506 C THR A 36 -7.982 3.196 -6.234 1.00 0.00 C ATOM 507 O THR A 36 -7.923 2.000 -5.946 1.00 0.00 O ATOM 508 CB THR A 36 -6.163 4.495 -7.447 1.00 0.00 C ATOM 509 OG1 THR A 36 -5.670 3.373 -8.145 1.00 0.00 O ATOM 510 CG2 THR A 36 -5.031 5.517 -7.303 1.00 0.00 C ATOM 0 H THR A 36 -5.714 2.342 -5.577 1.00 0.00 H new ATOM 0 HA THR A 36 -7.012 5.001 -5.569 1.00 0.00 H new ATOM 0 HB THR A 36 -6.981 4.953 -8.004 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.007 2.909 -7.592 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.653 5.782 -8.290 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.409 6.411 -6.807 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.225 5.086 -6.709 1.00 0.00 H new ATOM 518 N SER A 37 -9.097 3.793 -6.660 1.00 0.00 N ATOM 519 CA SER A 37 -10.399 3.180 -6.855 1.00 0.00 C ATOM 520 C SER A 37 -10.353 1.715 -7.309 1.00 0.00 C ATOM 521 O SER A 37 -10.105 1.443 -8.481 1.00 0.00 O ATOM 522 CB SER A 37 -11.142 4.047 -7.877 1.00 0.00 C ATOM 523 OG SER A 37 -10.898 5.414 -7.581 1.00 0.00 O ATOM 0 H SER A 37 -9.107 4.786 -6.892 1.00 0.00 H new ATOM 0 HA SER A 37 -10.911 3.142 -5.894 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.804 3.813 -8.887 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.211 3.838 -7.842 1.00 0.00 H new ATOM 0 HG SER A 37 -11.368 5.978 -8.230 1.00 0.00 H new ATOM 529 N GLY A 38 -10.614 0.779 -6.392 1.00 0.00 N ATOM 530 CA GLY A 38 -10.697 -0.645 -6.689 1.00 0.00 C ATOM 531 C GLY A 38 -9.444 -1.443 -6.328 1.00 0.00 C ATOM 532 O GLY A 38 -9.531 -2.663 -6.211 1.00 0.00 O ATOM 0 H GLY A 38 -10.775 0.998 -5.409 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.547 -1.066 -6.153 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.898 -0.770 -7.753 1.00 0.00 H new ATOM 536 N GLU A 39 -8.281 -0.807 -6.155 1.00 0.00 N ATOM 537 CA GLU A 39 -7.074 -1.546 -5.802 1.00 0.00 C ATOM 538 C GLU A 39 -7.210 -2.138 -4.398 1.00 0.00 C ATOM 539 O GLU A 39 -7.806 -1.516 -3.518 1.00 0.00 O ATOM 540 CB GLU A 39 -5.836 -0.650 -5.893 1.00 0.00 C ATOM 541 CG GLU A 39 -5.595 -0.173 -7.331 1.00 0.00 C ATOM 542 CD GLU A 39 -4.238 0.508 -7.461 1.00 0.00 C ATOM 543 OE1 GLU A 39 -4.095 1.593 -6.856 1.00 0.00 O ATOM 544 OE2 GLU A 39 -3.369 -0.068 -8.150 1.00 0.00 O ATOM 0 H GLU A 39 -8.154 0.200 -6.252 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.949 -2.361 -6.515 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.960 0.212 -5.238 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.962 -1.197 -5.538 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.647 -1.022 -8.013 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.383 0.520 -7.625 1.00 0.00 H new ATOM 551 N ASP A 40 -6.659 -3.339 -4.190 1.00 0.00 N ATOM 552 CA ASP A 40 -6.702 -4.004 -2.894 1.00 0.00 C ATOM 553 C ASP A 40 -5.908 -3.192 -1.869 1.00 0.00 C ATOM 554 O ASP A 40 -4.940 -2.523 -2.233 1.00 0.00 O ATOM 555 CB ASP A 40 -6.168 -5.437 -2.999 1.00 0.00 C ATOM 556 CG ASP A 40 -6.612 -6.270 -1.800 1.00 0.00 C ATOM 557 OD1 ASP A 40 -7.718 -6.848 -1.893 1.00 0.00 O ATOM 558 OD2 ASP A 40 -5.841 -6.314 -0.819 1.00 0.00 O ATOM 0 H ASP A 40 -6.175 -3.870 -4.914 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.738 -4.064 -2.561 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.527 -5.897 -3.920 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.079 -5.421 -3.053 1.00 0.00 H new ATOM 563 N CYS A 41 -6.303 -3.248 -0.598 1.00 0.00 N ATOM 564 CA CYS A 41 -5.670 -2.489 0.470 1.00 0.00 C ATOM 565 C CYS A 41 -5.689 -3.274 1.769 1.00 0.00 C ATOM 566 O CYS A 41 -6.528 -4.150 1.972 1.00 0.00 O ATOM 567 CB CYS A 41 -6.408 -1.167 0.663 1.00 0.00 C ATOM 568 SG CYS A 41 -8.114 -1.365 1.216 1.00 0.00 S ATOM 0 H CYS A 41 -7.080 -3.829 -0.282 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.633 -2.297 0.194 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.867 -0.562 1.390 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.402 -0.616 -0.278 1.00 0.00 H new ATOM 573 N HIS A 42 -4.770 -2.923 2.668 1.00 0.00 N ATOM 574 CA HIS A 42 -4.648 -3.543 3.972 1.00 0.00 C ATOM 575 C HIS A 42 -5.335 -2.614 4.970 1.00 0.00 C ATOM 576 O HIS A 42 -5.011 -1.425 4.988 1.00 0.00 O ATOM 577 CB HIS A 42 -3.161 -3.709 4.304 1.00 0.00 C ATOM 578 CG HIS A 42 -2.903 -4.617 5.468 1.00 0.00 C ATOM 579 ND1 HIS A 42 -3.456 -4.392 6.727 1.00 0.00 N ATOM 580 CD2 HIS A 42 -2.164 -5.766 5.497 1.00 0.00 C ATOM 581 CE1 HIS A 42 -3.016 -5.416 7.467 1.00 0.00 C ATOM 582 NE2 HIS A 42 -2.234 -6.263 6.780 1.00 0.00 N ATOM 0 H HIS A 42 -4.083 -2.188 2.501 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.111 -4.529 4.003 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -2.643 -4.099 3.428 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -2.733 -2.729 4.517 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.626 -6.203 4.669 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.265 -5.547 8.510 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -1.782 -7.105 7.136 1.00 0.00 H new ATOM 590 N PRO A 43 -6.269 -3.087 5.805 1.00 0.00 N ATOM 591 CA PRO A 43 -6.944 -2.216 6.753 1.00 0.00 C ATOM 592 C PRO A 43 -5.963 -1.525 7.707 1.00 0.00 C ATOM 593 O PRO A 43 -6.296 -0.475 8.249 1.00 0.00 O ATOM 594 CB PRO A 43 -7.946 -3.106 7.492 1.00 0.00 C ATOM 595 CG PRO A 43 -7.378 -4.516 7.328 1.00 0.00 C ATOM 596 CD PRO A 43 -6.712 -4.464 5.954 1.00 0.00 C ATOM 0 HA PRO A 43 -7.449 -1.395 6.244 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.028 -2.828 8.543 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.945 -3.025 7.062 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.662 -4.756 8.114 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.161 -5.273 7.368 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.873 -5.157 5.895 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.411 -4.742 5.165 1.00 0.00 H new ATOM 604 N ALA A 44 -4.756 -2.076 7.898 1.00 0.00 N ATOM 605 CA ALA A 44 -3.745 -1.485 8.761 1.00 0.00 C ATOM 606 C ALA A 44 -2.700 -0.698 7.959 1.00 0.00 C ATOM 607 O ALA A 44 -1.620 -0.441 8.488 1.00 0.00 O ATOM 608 CB ALA A 44 -3.087 -2.589 9.594 1.00 0.00 C ATOM 0 H ALA A 44 -4.461 -2.946 7.454 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.229 -0.770 9.427 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.328 -2.152 10.243 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.843 -3.085 10.203 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.621 -3.317 8.930 1.00 0.00 H new ATOM 614 N SER A 45 -2.987 -0.313 6.705 1.00 0.00 N ATOM 615 CA SER A 45 -2.077 0.494 5.908 1.00 0.00 C ATOM 616 C SER A 45 -1.762 1.793 6.659 1.00 0.00 C ATOM 617 O SER A 45 -2.579 2.709 6.688 1.00 0.00 O ATOM 618 CB SER A 45 -2.715 0.817 4.556 1.00 0.00 C ATOM 619 OG SER A 45 -2.864 -0.329 3.747 1.00 0.00 O ATOM 0 H SER A 45 -3.854 -0.556 6.226 1.00 0.00 H new ATOM 0 HA SER A 45 -1.154 -0.061 5.738 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.691 1.275 4.717 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.102 1.551 4.033 1.00 0.00 H new ATOM 0 HG SER A 45 -3.642 -0.843 4.048 1.00 0.00 H new ATOM 625 N HIS A 46 -0.567 1.869 7.249 1.00 0.00 N ATOM 626 CA HIS A 46 -0.120 2.982 8.080 1.00 0.00 C ATOM 627 C HIS A 46 -0.214 4.320 7.363 1.00 0.00 C ATOM 628 O HIS A 46 -0.126 4.366 6.134 1.00 0.00 O ATOM 629 CB HIS A 46 1.342 2.802 8.511 1.00 0.00 C ATOM 630 CG HIS A 46 1.793 1.378 8.597 1.00 0.00 C ATOM 631 ND1 HIS A 46 2.039 0.623 7.446 1.00 0.00 N ATOM 632 CD2 HIS A 46 1.884 0.584 9.700 1.00 0.00 C ATOM 633 CE1 HIS A 46 2.304 -0.601 7.917 1.00 0.00 C ATOM 634 NE2 HIS A 46 2.239 -0.675 9.258 1.00 0.00 N ATOM 0 H HIS A 46 0.135 1.135 7.157 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.784 2.982 8.944 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.983 3.331 7.806 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.481 3.273 9.484 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.712 0.882 10.724 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.545 -1.443 7.285 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.417 -1.498 9.834 1.00 0.00 H new ATOM 642 N LYS A 47 -0.259 5.395 8.152 1.00 0.00 N ATOM 643 CA LYS A 47 -0.312 6.761 7.640 1.00 0.00 C ATOM 644 C LYS A 47 0.835 7.040 6.655 1.00 0.00 C ATOM 645 O LYS A 47 1.807 6.286 6.594 1.00 0.00 O ATOM 646 CB LYS A 47 -0.367 7.773 8.799 1.00 0.00 C ATOM 647 CG LYS A 47 0.756 7.700 9.849 1.00 0.00 C ATOM 648 CD LYS A 47 2.140 8.104 9.314 1.00 0.00 C ATOM 649 CE LYS A 47 3.145 8.355 10.447 1.00 0.00 C ATOM 650 NZ LYS A 47 2.825 9.571 11.216 1.00 0.00 N ATOM 0 H LYS A 47 -0.260 5.339 9.170 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.233 6.881 7.069 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.366 8.776 8.372 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.320 7.646 9.313 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.499 8.348 10.687 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.811 6.683 10.237 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.519 7.318 8.661 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.045 9.005 8.708 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.156 7.496 11.117 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.147 8.445 10.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.647 9.843 11.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.590 10.344 10.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.012 9.385 11.838 1.00 0.00 H new ATOM 664 N ILE A 48 0.715 8.101 5.854 1.00 0.00 N ATOM 665 CA ILE A 48 1.728 8.501 4.883 1.00 0.00 C ATOM 666 C ILE A 48 2.403 9.772 5.412 1.00 0.00 C ATOM 667 O ILE A 48 1.687 10.690 5.811 1.00 0.00 O ATOM 668 CB ILE A 48 1.079 8.758 3.507 1.00 0.00 C ATOM 669 CG1 ILE A 48 0.413 7.470 2.991 1.00 0.00 C ATOM 670 CG2 ILE A 48 2.124 9.251 2.491 1.00 0.00 C ATOM 671 CD1 ILE A 48 -0.326 7.664 1.663 1.00 0.00 C ATOM 0 H ILE A 48 -0.101 8.713 5.864 1.00 0.00 H new ATOM 0 HA ILE A 48 2.467 7.711 4.753 1.00 0.00 H new ATOM 0 HB ILE A 48 0.322 9.533 3.625 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.174 6.700 2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.290 7.106 3.741 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.642 9.425 1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.568 10.180 2.848 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.903 8.497 2.376 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.773 6.719 1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.109 8.412 1.788 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.377 7.999 0.901 1.00 0.00 H new ATOM 683 N PRO A 49 3.741 9.879 5.399 1.00 0.00 N ATOM 684 CA PRO A 49 4.705 8.826 5.115 1.00 0.00 C ATOM 685 C PRO A 49 4.893 7.969 6.371 1.00 0.00 C ATOM 686 O PRO A 49 4.814 8.488 7.484 1.00 0.00 O ATOM 687 CB PRO A 49 5.998 9.571 4.780 1.00 0.00 C ATOM 688 CG PRO A 49 5.923 10.814 5.669 1.00 0.00 C ATOM 689 CD PRO A 49 4.424 11.120 5.723 1.00 0.00 C ATOM 0 HA PRO A 49 4.394 8.164 4.306 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.879 8.969 5.002 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.050 9.834 3.723 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.330 10.623 6.662 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.488 11.645 5.247 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.135 11.476 6.712 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.162 11.905 5.013 1.00 0.00 H new ATOM 697 N PHE A 50 5.173 6.675 6.213 1.00 0.00 N ATOM 698 CA PHE A 50 5.421 5.790 7.343 1.00 0.00 C ATOM 699 C PHE A 50 6.927 5.632 7.516 1.00 0.00 C ATOM 700 O PHE A 50 7.587 4.964 6.721 1.00 0.00 O ATOM 701 CB PHE A 50 4.750 4.435 7.124 1.00 0.00 C ATOM 702 CG PHE A 50 4.871 3.499 8.313 1.00 0.00 C ATOM 703 CD1 PHE A 50 4.264 3.835 9.538 1.00 0.00 C ATOM 704 CD2 PHE A 50 5.624 2.315 8.214 1.00 0.00 C ATOM 705 CE1 PHE A 50 4.377 2.973 10.642 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.719 1.441 9.311 1.00 0.00 C ATOM 707 CZ PHE A 50 5.095 1.771 10.526 1.00 0.00 C ATOM 0 H PHE A 50 5.233 6.217 5.304 1.00 0.00 H new ATOM 0 HA PHE A 50 4.995 6.221 8.249 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.695 4.593 6.902 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.191 3.957 6.249 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.710 4.758 9.629 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.131 2.076 7.291 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.911 3.235 11.581 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.271 0.517 9.220 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.167 1.101 11.370 1.00 0.00 H new ATOM 717 N SER A 51 7.476 6.260 8.556 1.00 0.00 N ATOM 718 CA SER A 51 8.888 6.222 8.883 1.00 0.00 C ATOM 719 C SER A 51 9.248 4.869 9.505 1.00 0.00 C ATOM 720 O SER A 51 9.610 4.808 10.679 1.00 0.00 O ATOM 721 CB SER A 51 9.164 7.383 9.844 1.00 0.00 C ATOM 722 OG SER A 51 8.231 7.325 10.906 1.00 0.00 O ATOM 0 H SER A 51 6.929 6.823 9.208 1.00 0.00 H new ATOM 0 HA SER A 51 9.505 6.332 7.991 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.181 7.320 10.231 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.081 8.335 9.320 1.00 0.00 H new ATOM 0 HG SER A 51 8.331 6.475 11.383 1.00 0.00 H new ATOM 728 N GLY A 52 9.139 3.790 8.731 1.00 0.00 N ATOM 729 CA GLY A 52 9.457 2.446 9.175 1.00 0.00 C ATOM 730 C GLY A 52 9.136 1.466 8.054 1.00 0.00 C ATOM 731 O GLY A 52 8.577 1.859 7.032 1.00 0.00 O ATOM 0 H GLY A 52 8.821 3.833 7.763 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.511 2.378 9.445 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.883 2.198 10.068 1.00 0.00 H new ATOM 735 N GLN A 53 9.482 0.191 8.242 1.00 0.00 N ATOM 736 CA GLN A 53 9.210 -0.836 7.251 1.00 0.00 C ATOM 737 C GLN A 53 7.748 -1.255 7.375 1.00 0.00 C ATOM 738 O GLN A 53 7.357 -1.844 8.379 1.00 0.00 O ATOM 739 CB GLN A 53 10.152 -2.032 7.434 1.00 0.00 C ATOM 740 CG GLN A 53 11.593 -1.698 7.026 1.00 0.00 C ATOM 741 CD GLN A 53 12.316 -0.807 8.028 1.00 0.00 C ATOM 742 OE1 GLN A 53 12.686 0.323 7.733 1.00 0.00 O ATOM 743 NE2 GLN A 53 12.536 -1.316 9.231 1.00 0.00 N ATOM 0 H GLN A 53 9.954 -0.150 9.079 1.00 0.00 H new ATOM 0 HA GLN A 53 9.387 -0.442 6.250 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.135 -2.350 8.476 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.792 -2.871 6.839 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.153 -2.626 6.906 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.582 -1.204 6.054 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.218 -2.260 9.452 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.024 -0.764 9.937 1.00 0.00 H new ATOM 752 N ARG A 54 6.934 -0.934 6.367 1.00 0.00 N ATOM 753 CA ARG A 54 5.520 -1.271 6.358 1.00 0.00 C ATOM 754 C ARG A 54 5.290 -2.779 6.390 1.00 0.00 C ATOM 755 O ARG A 54 4.367 -3.241 7.055 1.00 0.00 O ATOM 756 CB ARG A 54 4.839 -0.706 5.107 1.00 0.00 C ATOM 757 CG ARG A 54 4.775 0.820 5.127 1.00 0.00 C ATOM 758 CD ARG A 54 3.965 1.309 3.926 1.00 0.00 C ATOM 759 NE ARG A 54 3.664 2.740 4.035 1.00 0.00 N ATOM 760 CZ ARG A 54 2.584 3.256 4.643 1.00 0.00 C ATOM 761 NH1 ARG A 54 1.751 2.478 5.335 1.00 0.00 N ATOM 762 NH2 ARG A 54 2.334 4.560 4.576 1.00 0.00 N ATOM 0 H ARG A 54 7.243 -0.432 5.535 1.00 0.00 H new ATOM 0 HA ARG A 54 5.090 -0.829 7.257 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.381 -1.034 4.220 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.829 -1.110 5.031 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.316 1.164 6.054 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.781 1.238 5.096 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.522 1.121 3.008 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.036 0.744 3.857 1.00 0.00 H new ATOM 0 HE ARG A 54 4.326 3.394 3.617 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.930 1.477 5.408 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.934 2.884 5.792 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.964 5.174 4.061 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.512 4.946 5.040 1.00 0.00 H new ATOM 776 N MET A 55 6.041 -3.529 5.577 1.00 0.00 N ATOM 777 CA MET A 55 5.939 -4.979 5.408 1.00 0.00 C ATOM 778 C MET A 55 4.654 -5.416 4.690 1.00 0.00 C ATOM 779 O MET A 55 4.619 -6.503 4.120 1.00 0.00 O ATOM 780 CB MET A 55 6.147 -5.736 6.730 1.00 0.00 C ATOM 781 CG MET A 55 7.486 -5.397 7.402 1.00 0.00 C ATOM 782 SD MET A 55 8.987 -5.609 6.403 1.00 0.00 S ATOM 783 CE MET A 55 8.884 -7.370 6.015 1.00 0.00 C ATOM 0 H MET A 55 6.770 -3.121 4.992 1.00 0.00 H new ATOM 0 HA MET A 55 6.761 -5.257 4.748 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.332 -5.497 7.413 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.101 -6.809 6.541 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.445 -4.360 7.735 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.583 -6.015 8.295 1.00 0.00 H new ATOM 0 HE1 MET A 55 9.774 -7.674 5.464 1.00 0.00 H new ATOM 0 HE2 MET A 55 8.817 -7.943 6.940 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.999 -7.557 5.407 1.00 0.00 H new ATOM 793 N HIS A 56 3.598 -4.598 4.701 1.00 0.00 N ATOM 794 CA HIS A 56 2.367 -4.901 3.986 1.00 0.00 C ATOM 795 C HIS A 56 2.621 -4.899 2.477 1.00 0.00 C ATOM 796 O HIS A 56 3.524 -4.225 1.973 1.00 0.00 O ATOM 797 CB HIS A 56 1.251 -3.921 4.370 1.00 0.00 C ATOM 798 CG HIS A 56 0.892 -3.937 5.834 1.00 0.00 C ATOM 799 ND1 HIS A 56 0.272 -2.843 6.432 1.00 0.00 N ATOM 800 CD2 HIS A 56 1.098 -4.904 6.783 1.00 0.00 C ATOM 801 CE1 HIS A 56 0.144 -3.184 7.716 1.00 0.00 C ATOM 802 NE2 HIS A 56 0.624 -4.409 7.979 1.00 0.00 N ATOM 0 H HIS A 56 3.577 -3.712 5.205 1.00 0.00 H new ATOM 0 HA HIS A 56 2.033 -5.898 4.273 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.558 -2.912 4.093 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.361 -4.155 3.786 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.548 -5.873 6.624 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.299 -2.542 8.464 1.00 0.00 H new ATOM 0 HE2 HIS A 56 0.636 -4.880 8.884 1.00 0.00 H new ATOM 810 N HIS A 57 1.813 -5.676 1.754 1.00 0.00 N ATOM 811 CA HIS A 57 1.961 -5.841 0.317 1.00 0.00 C ATOM 812 C HIS A 57 1.292 -4.720 -0.468 1.00 0.00 C ATOM 813 O HIS A 57 1.733 -4.355 -1.554 1.00 0.00 O ATOM 814 CB HIS A 57 1.372 -7.188 -0.105 1.00 0.00 C ATOM 815 CG HIS A 57 2.120 -7.804 -1.251 1.00 0.00 C ATOM 816 ND1 HIS A 57 2.165 -9.187 -1.395 1.00 0.00 N ATOM 817 CD2 HIS A 57 2.877 -7.236 -2.245 1.00 0.00 C ATOM 818 CE1 HIS A 57 3.038 -9.379 -2.380 1.00 0.00 C ATOM 819 NE2 HIS A 57 3.598 -8.245 -2.807 1.00 0.00 N ATOM 0 H HIS A 57 1.039 -6.207 2.153 1.00 0.00 H new ATOM 0 HA HIS A 57 3.027 -5.805 0.090 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.387 -7.871 0.745 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.328 -7.053 -0.387 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.648 -9.891 -0.867 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.897 -6.193 -2.526 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.269 -10.350 -2.791 1.00 0.00 H new ATOM 827 N THR A 58 0.193 -4.203 0.068 1.00 0.00 N ATOM 828 CA THR A 58 -0.608 -3.177 -0.560 1.00 0.00 C ATOM 829 C THR A 58 -0.288 -1.831 0.093 1.00 0.00 C ATOM 830 O THR A 58 0.113 -1.802 1.256 1.00 0.00 O ATOM 831 CB THR A 58 -2.070 -3.593 -0.372 1.00 0.00 C ATOM 832 OG1 THR A 58 -2.350 -3.683 1.011 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.320 -4.984 -0.980 1.00 0.00 C ATOM 0 H THR A 58 -0.169 -4.498 0.975 1.00 0.00 H new ATOM 0 HA THR A 58 -0.401 -3.067 -1.625 1.00 0.00 H new ATOM 0 HB THR A 58 -2.702 -2.852 -0.862 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.147 -4.237 1.148 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.364 -5.262 -0.836 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.094 -4.961 -2.046 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.679 -5.716 -0.489 1.00 0.00 H new ATOM 841 N CYS A 59 -0.520 -0.724 -0.613 1.00 0.00 N ATOM 842 CA CYS A 59 -0.237 0.617 -0.109 1.00 0.00 C ATOM 843 C CYS A 59 -1.507 1.250 0.432 1.00 0.00 C ATOM 844 O CYS A 59 -2.602 0.834 0.051 1.00 0.00 O ATOM 845 CB CYS A 59 0.290 1.505 -1.247 1.00 0.00 C ATOM 846 SG CYS A 59 2.064 1.436 -1.542 1.00 0.00 S ATOM 0 H CYS A 59 -0.911 -0.734 -1.555 1.00 0.00 H new ATOM 0 HA CYS A 59 0.508 0.534 0.682 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.223 1.225 -2.167 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.017 2.538 -1.032 1.00 0.00 H new ATOM 851 N PRO A 60 -1.382 2.252 1.321 1.00 0.00 N ATOM 852 CA PRO A 60 -2.546 2.996 1.747 1.00 0.00 C ATOM 853 C PRO A 60 -3.114 3.695 0.518 1.00 0.00 C ATOM 854 O PRO A 60 -2.399 3.983 -0.443 1.00 0.00 O ATOM 855 CB PRO A 60 -2.095 4.014 2.795 1.00 0.00 C ATOM 856 CG PRO A 60 -0.583 3.834 2.908 1.00 0.00 C ATOM 857 CD PRO A 60 -0.156 2.871 1.801 1.00 0.00 C ATOM 0 HA PRO A 60 -3.311 2.355 2.184 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.348 5.030 2.491 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.585 3.836 3.752 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.073 4.792 2.802 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.315 3.437 3.887 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.355 3.401 0.997 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.538 2.121 2.181 1.00 0.00 H new ATOM 865 N CYS A 61 -4.411 3.957 0.558 1.00 0.00 N ATOM 866 CA CYS A 61 -5.128 4.573 -0.542 1.00 0.00 C ATOM 867 C CYS A 61 -4.708 6.032 -0.684 1.00 0.00 C ATOM 868 O CYS A 61 -4.219 6.650 0.262 1.00 0.00 O ATOM 869 CB CYS A 61 -6.634 4.517 -0.262 1.00 0.00 C ATOM 870 SG CYS A 61 -7.288 2.890 0.164 1.00 0.00 S ATOM 0 H CYS A 61 -4.999 3.745 1.364 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.897 4.036 -1.462 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.860 5.204 0.553 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.163 4.882 -1.142 1.00 0.00 H new ATOM 875 N ALA A 62 -4.920 6.586 -1.874 1.00 0.00 N ATOM 876 CA ALA A 62 -4.712 7.990 -2.151 1.00 0.00 C ATOM 877 C ALA A 62 -5.602 8.757 -1.164 1.00 0.00 C ATOM 878 O ALA A 62 -6.739 8.333 -0.964 1.00 0.00 O ATOM 879 CB ALA A 62 -5.114 8.264 -3.605 1.00 0.00 C ATOM 0 H ALA A 62 -5.247 6.056 -2.682 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.673 8.298 -2.031 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.963 9.320 -3.831 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.501 7.659 -4.272 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.164 8.009 -3.746 1.00 0.00 H new ATOM 885 N PRO A 63 -5.130 9.857 -0.556 1.00 0.00 N ATOM 886 CA PRO A 63 -5.859 10.630 0.449 1.00 0.00 C ATOM 887 C PRO A 63 -7.368 10.833 0.234 1.00 0.00 C ATOM 888 O PRO A 63 -8.109 10.933 1.207 1.00 0.00 O ATOM 889 CB PRO A 63 -5.110 11.961 0.539 1.00 0.00 C ATOM 890 CG PRO A 63 -3.662 11.535 0.291 1.00 0.00 C ATOM 891 CD PRO A 63 -3.793 10.411 -0.739 1.00 0.00 C ATOM 0 HA PRO A 63 -5.867 10.058 1.377 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.458 12.675 -0.208 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.234 12.433 1.514 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.060 12.360 -0.090 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.183 11.187 1.206 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.663 10.792 -1.752 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.029 9.649 -0.585 1.00 0.00 H new ATOM 899 N ASN A 64 -7.841 10.908 -1.015 1.00 0.00 N ATOM 900 CA ASN A 64 -9.258 11.124 -1.312 1.00 0.00 C ATOM 901 C ASN A 64 -10.117 9.865 -1.122 1.00 0.00 C ATOM 902 O ASN A 64 -11.340 9.959 -1.212 1.00 0.00 O ATOM 903 CB ASN A 64 -9.425 11.625 -2.755 1.00 0.00 C ATOM 904 CG ASN A 64 -8.699 12.932 -3.044 1.00 0.00 C ATOM 905 OD1 ASN A 64 -8.494 13.765 -2.168 1.00 0.00 O ATOM 906 ND2 ASN A 64 -8.285 13.110 -4.294 1.00 0.00 N ATOM 0 H ASN A 64 -7.253 10.821 -1.844 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.607 11.871 -0.599 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.060 10.859 -3.439 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.487 11.757 -2.962 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.780 13.959 -4.548 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.472 12.397 -4.999 1.00 0.00 H new ATOM 913 N LEU A 65 -9.512 8.691 -0.913 1.00 0.00 N ATOM 914 CA LEU A 65 -10.202 7.411 -0.785 1.00 0.00 C ATOM 915 C LEU A 65 -9.816 6.728 0.527 1.00 0.00 C ATOM 916 O LEU A 65 -8.847 7.124 1.172 1.00 0.00 O ATOM 917 CB LEU A 65 -9.858 6.519 -1.987 1.00 0.00 C ATOM 918 CG LEU A 65 -10.246 7.171 -3.325 1.00 0.00 C ATOM 919 CD1 LEU A 65 -9.032 7.819 -4.002 1.00 0.00 C ATOM 920 CD2 LEU A 65 -10.819 6.123 -4.277 1.00 0.00 C ATOM 0 H LEU A 65 -8.499 8.607 -0.826 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.278 7.582 -0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.789 6.306 -1.985 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.373 5.564 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.991 7.937 -3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.339 8.271 -4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.619 8.588 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.274 7.060 -4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.090 6.598 -5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.072 5.351 -4.460 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.705 5.672 -3.831 1.00 0.00 H new ATOM 932 N ALA A 66 -10.564 5.688 0.909 1.00 0.00 N ATOM 933 CA ALA A 66 -10.372 4.946 2.146 1.00 0.00 C ATOM 934 C ALA A 66 -10.341 3.445 1.867 1.00 0.00 C ATOM 935 O ALA A 66 -10.948 2.967 0.906 1.00 0.00 O ATOM 936 CB ALA A 66 -11.506 5.281 3.117 1.00 0.00 C ATOM 0 H ALA A 66 -11.339 5.335 0.347 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.418 5.230 2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.366 4.727 4.045 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.500 6.350 3.328 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.461 5.005 2.670 1.00 0.00 H new ATOM 942 N CYS A 67 -9.618 2.706 2.714 1.00 0.00 N ATOM 943 CA CYS A 67 -9.515 1.257 2.622 1.00 0.00 C ATOM 944 C CYS A 67 -10.754 0.650 3.269 1.00 0.00 C ATOM 945 O CYS A 67 -10.913 0.784 4.481 1.00 0.00 O ATOM 946 CB CYS A 67 -8.261 0.761 3.355 1.00 0.00 C ATOM 947 SG CYS A 67 -8.084 -1.029 3.263 1.00 0.00 S ATOM 0 H CYS A 67 -9.086 3.105 3.487 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.443 0.960 1.576 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.379 1.234 2.924 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.308 1.067 4.400 1.00 0.00 H new ATOM 952 N VAL A 68 -11.641 0.016 2.496 1.00 0.00 N ATOM 953 CA VAL A 68 -12.880 -0.528 3.036 1.00 0.00 C ATOM 954 C VAL A 68 -13.236 -1.879 2.425 1.00 0.00 C ATOM 955 O VAL A 68 -12.807 -2.234 1.328 1.00 0.00 O ATOM 956 CB VAL A 68 -14.001 0.518 2.918 1.00 0.00 C ATOM 957 CG1 VAL A 68 -14.191 1.001 1.477 1.00 0.00 C ATOM 958 CG2 VAL A 68 -15.348 0.056 3.489 1.00 0.00 C ATOM 0 H VAL A 68 -11.519 -0.131 1.494 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.740 -0.738 4.096 1.00 0.00 H new ATOM 0 HB VAL A 68 -13.660 1.351 3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -14.993 1.738 1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -13.266 1.454 1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.449 0.155 0.841 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.086 0.849 3.368 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -15.682 -0.835 2.957 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -15.234 -0.175 4.548 1.00 0.00 H new ATOM 968 N GLN A 69 -14.004 -2.653 3.187 1.00 0.00 N ATOM 969 CA GLN A 69 -14.472 -3.968 2.809 1.00 0.00 C ATOM 970 C GLN A 69 -15.397 -3.943 1.596 1.00 0.00 C ATOM 971 O GLN A 69 -16.321 -3.135 1.529 1.00 0.00 O ATOM 972 CB GLN A 69 -15.212 -4.582 4.005 1.00 0.00 C ATOM 973 CG GLN A 69 -14.270 -5.443 4.848 1.00 0.00 C ATOM 974 CD GLN A 69 -14.243 -6.871 4.312 1.00 0.00 C ATOM 975 OE1 GLN A 69 -15.256 -7.562 4.345 1.00 0.00 O ATOM 976 NE2 GLN A 69 -13.122 -7.321 3.759 1.00 0.00 N ATOM 0 H GLN A 69 -14.324 -2.366 4.112 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.604 -4.565 2.530 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -15.635 -3.789 4.621 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.045 -5.189 3.650 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.265 -5.021 4.830 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -14.597 -5.443 5.888 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.290 -6.732 3.741 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -13.094 -8.256 3.352 1.00 0.00 H new ATOM 985 N THR A 70 -15.148 -4.867 0.667 1.00 0.00 N ATOM 986 CA THR A 70 -16.019 -5.133 -0.469 1.00 0.00 C ATOM 987 C THR A 70 -16.791 -6.417 -0.158 1.00 0.00 C ATOM 988 O THR A 70 -17.996 -6.506 -0.377 1.00 0.00 O ATOM 989 CB THR A 70 -15.202 -5.254 -1.761 1.00 0.00 C ATOM 990 OG1 THR A 70 -14.264 -6.310 -1.688 1.00 0.00 O ATOM 991 CG2 THR A 70 -14.474 -3.940 -2.050 1.00 0.00 C ATOM 0 H THR A 70 -14.319 -5.460 0.687 1.00 0.00 H new ATOM 0 HA THR A 70 -16.718 -4.312 -0.626 1.00 0.00 H new ATOM 0 HB THR A 70 -15.898 -5.474 -2.571 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.661 -6.160 -0.931 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.897 -4.038 -2.970 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.203 -3.137 -2.163 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.802 -3.707 -1.224 1.00 0.00 H new ATOM 999 N SER A 71 -16.077 -7.414 0.368 1.00 0.00 N ATOM 1000 CA SER A 71 -16.575 -8.711 0.781 1.00 0.00 C ATOM 1001 C SER A 71 -15.516 -9.277 1.741 1.00 0.00 C ATOM 1002 O SER A 71 -14.399 -8.753 1.753 1.00 0.00 O ATOM 1003 CB SER A 71 -16.854 -9.557 -0.470 1.00 0.00 C ATOM 1004 OG SER A 71 -15.831 -9.415 -1.436 1.00 0.00 O ATOM 0 H SER A 71 -15.073 -7.323 0.523 1.00 0.00 H new ATOM 0 HA SER A 71 -17.526 -8.684 1.312 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.945 -10.606 -0.187 1.00 0.00 H new ATOM 0 HB3 SER A 71 -17.809 -9.260 -0.905 1.00 0.00 H new ATOM 0 HG SER A 71 -16.171 -8.903 -2.200 1.00 0.00 H new ATOM 1010 N PRO A 72 -15.850 -10.279 2.574 1.00 0.00 N ATOM 1011 CA PRO A 72 -14.955 -10.860 3.569 1.00 0.00 C ATOM 1012 C PRO A 72 -13.495 -10.944 3.115 1.00 0.00 C ATOM 1013 O PRO A 72 -13.211 -11.464 2.038 1.00 0.00 O ATOM 1014 CB PRO A 72 -15.559 -12.226 3.891 1.00 0.00 C ATOM 1015 CG PRO A 72 -17.057 -11.930 3.797 1.00 0.00 C ATOM 1016 CD PRO A 72 -17.143 -10.943 2.629 1.00 0.00 C ATOM 0 HA PRO A 72 -14.891 -10.226 4.453 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.247 -12.990 3.179 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -15.272 -12.578 4.882 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -17.635 -12.834 3.605 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.441 -11.496 4.720 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.356 -11.461 1.694 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.946 -10.223 2.784 1.00 0.00 H new ATOM 1024 N LYS A 73 -12.583 -10.366 3.908 1.00 0.00 N ATOM 1025 CA LYS A 73 -11.141 -10.282 3.666 1.00 0.00 C ATOM 1026 C LYS A 73 -10.784 -9.287 2.552 1.00 0.00 C ATOM 1027 O LYS A 73 -9.799 -8.558 2.665 1.00 0.00 O ATOM 1028 CB LYS A 73 -10.508 -11.661 3.413 1.00 0.00 C ATOM 1029 CG LYS A 73 -10.801 -12.651 4.551 1.00 0.00 C ATOM 1030 CD LYS A 73 -10.223 -14.046 4.274 1.00 0.00 C ATOM 1031 CE LYS A 73 -8.690 -14.051 4.220 1.00 0.00 C ATOM 1032 NZ LYS A 73 -8.164 -15.423 4.109 1.00 0.00 N ATOM 0 H LYS A 73 -12.850 -9.920 4.785 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.708 -9.893 4.587 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.887 -12.066 2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.430 -11.549 3.300 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.384 -12.266 5.481 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.879 -12.729 4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.557 -14.734 5.050 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.617 -14.417 3.328 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.352 -13.459 3.369 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.291 -13.577 5.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.125 -15.395 4.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.468 -15.979 4.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.527 -15.865 3.240 1.00 0.00 H new ATOM 1046 N LYS A 74 -11.576 -9.234 1.481 1.00 0.00 N ATOM 1047 CA LYS A 74 -11.350 -8.354 0.349 1.00 0.00 C ATOM 1048 C LYS A 74 -11.597 -6.888 0.727 1.00 0.00 C ATOM 1049 O LYS A 74 -12.698 -6.352 0.564 1.00 0.00 O ATOM 1050 CB LYS A 74 -12.223 -8.799 -0.827 1.00 0.00 C ATOM 1051 CG LYS A 74 -11.845 -10.206 -1.315 1.00 0.00 C ATOM 1052 CD LYS A 74 -13.018 -10.857 -2.053 1.00 0.00 C ATOM 1053 CE LYS A 74 -13.418 -10.094 -3.322 1.00 0.00 C ATOM 1054 NZ LYS A 74 -14.684 -10.614 -3.864 1.00 0.00 N ATOM 0 H LYS A 74 -12.408 -9.816 1.380 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.305 -8.423 0.045 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.271 -8.787 -0.527 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.118 -8.089 -1.647 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.981 -10.147 -1.977 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.555 -10.825 -0.466 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.752 -11.880 -2.318 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.876 -10.914 -1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.522 -9.033 -3.097 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.631 -10.186 -4.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.877 -10.168 -4.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.612 -11.644 -3.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.459 -10.398 -3.205 1.00 0.00 H new ATOM 1068 N PHE A 75 -10.528 -6.233 1.178 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.488 -4.822 1.520 1.00 0.00 C ATOM 1070 C PHE A 75 -9.898 -4.105 0.309 1.00 0.00 C ATOM 1071 O PHE A 75 -8.822 -4.480 -0.158 1.00 0.00 O ATOM 1072 CB PHE A 75 -9.575 -4.606 2.735 1.00 0.00 C ATOM 1073 CG PHE A 75 -10.259 -4.696 4.083 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -10.806 -3.535 4.662 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -10.219 -5.893 4.821 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -11.334 -3.577 5.963 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -10.759 -5.939 6.117 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.309 -4.780 6.693 1.00 0.00 C ATOM 0 H PHE A 75 -9.630 -6.696 1.319 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.481 -4.446 1.767 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.774 -5.344 2.703 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.108 -3.625 2.648 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.820 -2.610 4.105 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.773 -6.777 4.391 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.759 -2.687 6.403 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -10.752 -6.866 6.672 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.712 -4.813 7.695 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.606 -3.103 -0.220 1.00 0.00 N ATOM 1089 CA LYS A 76 -10.176 -2.354 -1.391 1.00 0.00 C ATOM 1090 C LYS A 76 -10.358 -0.853 -1.165 1.00 0.00 C ATOM 1091 O LYS A 76 -11.116 -0.423 -0.295 1.00 0.00 O ATOM 1092 CB LYS A 76 -10.921 -2.840 -2.644 1.00 0.00 C ATOM 1093 CG LYS A 76 -10.897 -4.371 -2.758 1.00 0.00 C ATOM 1094 CD LYS A 76 -11.262 -4.833 -4.173 1.00 0.00 C ATOM 1095 CE LYS A 76 -11.469 -6.351 -4.224 1.00 0.00 C ATOM 1096 NZ LYS A 76 -10.261 -7.088 -3.809 1.00 0.00 N ATOM 0 H LYS A 76 -11.500 -2.791 0.160 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.113 -2.532 -1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.954 -2.493 -2.611 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.466 -2.401 -3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.905 -4.741 -2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.596 -4.802 -2.041 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.171 -4.328 -4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.471 -4.548 -4.867 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.301 -6.625 -3.576 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.743 -6.646 -5.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.390 -8.102 -4.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.440 -6.736 -4.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.101 -6.947 -2.791 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.622 -0.055 -1.936 1.00 0.00 N ATOM 1111 CA CYS A 77 -9.653 1.395 -1.853 1.00 0.00 C ATOM 1112 C CYS A 77 -10.895 1.915 -2.557 1.00 0.00 C ATOM 1113 O CYS A 77 -11.002 1.761 -3.773 1.00 0.00 O ATOM 1114 CB CYS A 77 -8.401 1.983 -2.508 1.00 0.00 C ATOM 1115 SG CYS A 77 -6.900 1.772 -1.539 1.00 0.00 S ATOM 0 H CYS A 77 -8.979 -0.408 -2.645 1.00 0.00 H new ATOM 0 HA CYS A 77 -9.677 1.695 -0.805 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -8.260 1.516 -3.483 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -8.561 3.047 -2.684 1.00 0.00 H new ATOM 1120 N LEU A 78 -11.825 2.526 -1.818 1.00 0.00 N ATOM 1121 CA LEU A 78 -13.033 3.108 -2.393 1.00 0.00 C ATOM 1122 C LEU A 78 -13.241 4.521 -1.854 1.00 0.00 C ATOM 1123 O LEU A 78 -12.720 4.886 -0.801 1.00 0.00 O ATOM 1124 CB LEU A 78 -14.258 2.228 -2.107 1.00 0.00 C ATOM 1125 CG LEU A 78 -14.229 0.853 -2.798 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -15.440 0.038 -2.331 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -14.290 0.969 -4.328 1.00 0.00 C ATOM 0 H LEU A 78 -11.759 2.629 -0.805 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.910 3.162 -3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.339 2.078 -1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.155 2.761 -2.423 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.290 0.369 -2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.430 -0.939 -2.815 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -15.396 -0.092 -1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -16.357 0.564 -2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.267 -0.027 -4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.212 1.473 -4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -13.435 1.544 -4.684 1.00 0.00 H new ATOM 1139 N SER A 79 -13.984 5.328 -2.614 1.00 0.00 N ATOM 1140 CA SER A 79 -14.315 6.695 -2.272 1.00 0.00 C ATOM 1141 C SER A 79 -15.533 6.641 -1.347 1.00 0.00 C ATOM 1142 O SER A 79 -16.657 6.851 -1.806 1.00 0.00 O ATOM 1143 CB SER A 79 -14.626 7.433 -3.578 1.00 0.00 C ATOM 1144 OG SER A 79 -15.546 6.658 -4.325 1.00 0.00 O ATOM 0 H SER A 79 -14.378 5.032 -3.507 1.00 0.00 H new ATOM 0 HA SER A 79 -13.506 7.218 -1.763 1.00 0.00 H new ATOM 0 HB2 SER A 79 -15.044 8.417 -3.366 1.00 0.00 H new ATOM 0 HB3 SER A 79 -13.712 7.591 -4.150 1.00 0.00 H new ATOM 0 HG SER A 79 -16.311 6.423 -3.759 1.00 0.00 H new ATOM 1150 N LYS A 80 -15.311 6.276 -0.088 1.00 0.00 N ATOM 1151 CA LYS A 80 -16.294 6.132 0.967 1.00 0.00 C ATOM 1152 C LYS A 80 -15.597 6.624 2.234 1.00 0.00 C ATOM 1153 O LYS A 80 -16.313 6.896 3.220 1.00 0.00 O ATOM 1154 CB LYS A 80 -16.682 4.653 1.120 1.00 0.00 C ATOM 1155 CG LYS A 80 -17.512 4.121 -0.058 1.00 0.00 C ATOM 1156 CD LYS A 80 -17.658 2.592 -0.036 1.00 0.00 C ATOM 1157 CE LYS A 80 -18.289 2.069 1.260 1.00 0.00 C ATOM 1158 NZ LYS A 80 -18.452 0.605 1.222 1.00 0.00 N ATOM 1159 OXT LYS A 80 -14.347 6.709 2.179 1.00 0.00 O ATOM 0 H LYS A 80 -14.370 6.059 0.239 1.00 0.00 H new ATOM 0 HA LYS A 80 -17.206 6.691 0.759 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.776 4.055 1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -17.249 4.526 2.042 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -18.502 4.577 -0.035 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.043 4.424 -0.994 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -18.268 2.279 -0.883 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -16.676 2.137 -0.165 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.664 2.346 2.109 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -19.260 2.542 1.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.881 0.280 2.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -19.068 0.345 0.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.522 0.155 1.102 1.00 0.00 H new TER 1173 LYS A 80