USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 953 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 101 ASN : amide:sc= -0.592 K(o=-1.4,f=-12!) USER MOD Set 1.2: A 104 ASN : amide:sc= -0.784 K(o=-1.4,f=-4.9!) USER MOD Set 2.1: A 49 SER OG : rot 180:sc= 0.00625 USER MOD Set 2.2: A 53 THR OG1 : rot 41:sc= 1.27 USER MOD Set 3.1: A 18 HIS : no HD1:sc= 1.15 K(o=2.4,f=-4.7!) USER MOD Set 3.2: A 81 TYR OH : rot -111:sc= 1.28 USER MOD Single : A 1 MET CE :methyl -160:sc= -0.0626 (180deg=-0.393) USER MOD Single : A 1 MET N :NH3+ -166:sc= 0 (180deg=-0.0813) USER MOD Single : A 6 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 14 CYS SG : rot -85:sc= -6.1! USER MOD Single : A 22 MET CE :methyl -135:sc= -0.022 (180deg=-1.78) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 173:sc= 0.726 (180deg=0.585) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 1.21 (180deg=0.978) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 78:sc= 0.855 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot -64:sc= 1.25 USER MOD Single : A 39 THR OG1 : rot 39:sc= 0.262 USER MOD Single : A 40 SER OG : rot 16:sc= 0.138 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0.0669 K(o=0.067,f=-2.8) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -179:sc= 0.632 (180deg=0.597) USER MOD Single : A 59 GLN : amide:sc= 0.514 K(o=0.51,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 153:sc= 0.0688 (180deg=0) USER MOD Single : A 66 SER OG : rot 99:sc= 1.22 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 75 LYS NZ :NH3+ -152:sc= 0.307 (180deg=-0.0664) USER MOD Single : A 76 CYS SG : rot 82:sc= -2.44! USER MOD Single : A 80 HIS : no HE2:sc= 0.726 K(o=0.73,f=-3.9!) USER MOD Single : A 82 GLN : amide:sc= -1.34 K(o=-1.3,f=-3.9!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 71:sc= 0.151 USER MOD Single : A 87 SER OG : rot -38:sc= 0.134 USER MOD Single : A 94 TYR OH : rot 154:sc= 1.22 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -155:sc= 1.13 (180deg=-0.336!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= 1.17 K(o=1.2,f=-0.00035) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ -166:sc= 1.27 (180deg=0.831) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.060 19.032 -2.768 1.00 0.00 N ATOM 2 CA MET A 1 -16.859 19.127 -1.907 1.00 0.00 C ATOM 3 C MET A 1 -15.980 17.908 -2.102 1.00 0.00 C ATOM 4 O MET A 1 -16.460 16.776 -2.070 1.00 0.00 O ATOM 5 CB MET A 1 -17.272 19.255 -0.444 1.00 0.00 C ATOM 6 CG MET A 1 -17.797 20.635 -0.092 1.00 0.00 C ATOM 7 SD MET A 1 -18.887 20.627 1.343 1.00 0.00 S ATOM 8 CE MET A 1 -20.339 19.838 0.654 1.00 0.00 C ATOM 0 H1 MET A 1 -18.530 19.959 -2.811 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.778 18.742 -3.726 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.716 18.329 -2.372 1.00 0.00 H new ATOM 0 HA MET A 1 -16.292 20.014 -2.188 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.040 18.514 -0.223 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.416 19.026 0.190 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.955 21.300 0.101 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.335 21.043 -0.948 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.206 20.068 1.273 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.507 20.206 -0.358 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.189 18.759 0.627 1.00 0.00 H new ATOM 18 N VAL A 2 -14.693 18.148 -2.312 1.00 0.00 N ATOM 19 CA VAL A 2 -13.741 17.071 -2.525 1.00 0.00 C ATOM 20 C VAL A 2 -13.012 16.703 -1.235 1.00 0.00 C ATOM 21 O VAL A 2 -12.574 17.569 -0.478 1.00 0.00 O ATOM 22 CB VAL A 2 -12.712 17.430 -3.623 1.00 0.00 C ATOM 23 CG1 VAL A 2 -13.398 17.570 -4.970 1.00 0.00 C ATOM 24 CG2 VAL A 2 -11.960 18.708 -3.289 1.00 0.00 C ATOM 0 H VAL A 2 -14.285 19.082 -2.339 1.00 0.00 H new ATOM 0 HA VAL A 2 -14.316 16.207 -2.858 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.989 16.616 -3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -12.659 17.823 -5.730 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.881 16.629 -5.232 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.148 18.359 -4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -11.246 18.928 -4.083 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.667 19.533 -3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.427 18.581 -2.347 1.00 0.00 H new ATOM 34 N ASP A 3 -12.898 15.407 -0.993 1.00 0.00 N ATOM 35 CA ASP A 3 -12.229 14.886 0.199 1.00 0.00 C ATOM 36 C ASP A 3 -10.901 14.244 -0.171 1.00 0.00 C ATOM 37 O ASP A 3 -10.220 13.648 0.660 1.00 0.00 O ATOM 38 CB ASP A 3 -13.127 13.843 0.879 1.00 0.00 C ATOM 39 CG ASP A 3 -13.224 12.549 0.077 1.00 0.00 C ATOM 40 OD1 ASP A 3 -13.138 11.458 0.683 1.00 0.00 O ATOM 41 OD2 ASP A 3 -13.392 12.618 -1.164 1.00 0.00 O ATOM 0 H ASP A 3 -13.264 14.684 -1.613 1.00 0.00 H new ATOM 0 HA ASP A 3 -12.041 15.714 0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.736 13.623 1.873 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -14.125 14.259 1.014 1.00 0.00 H new ATOM 46 N LEU A 4 -10.527 14.428 -1.416 1.00 0.00 N ATOM 47 CA LEU A 4 -9.313 13.832 -1.966 1.00 0.00 C ATOM 48 C LEU A 4 -8.122 14.774 -1.917 1.00 0.00 C ATOM 49 O LEU A 4 -7.025 14.412 -2.335 1.00 0.00 O ATOM 50 CB LEU A 4 -9.566 13.475 -3.424 1.00 0.00 C ATOM 51 CG LEU A 4 -9.763 14.699 -4.317 1.00 0.00 C ATOM 52 CD1 LEU A 4 -8.583 14.887 -5.260 1.00 0.00 C ATOM 53 CD2 LEU A 4 -11.066 14.601 -5.087 1.00 0.00 C ATOM 0 H LEU A 4 -11.051 14.994 -2.084 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.077 12.957 -1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.726 12.891 -3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.450 12.840 -3.488 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.816 15.578 -3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.751 15.765 -5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.671 15.024 -4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.480 14.007 -5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.184 15.484 -5.716 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.053 13.709 -5.713 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.899 14.540 -4.387 1.00 0.00 H new ATOM 65 N GLU A 5 -8.318 15.955 -1.384 1.00 0.00 N ATOM 66 CA GLU A 5 -7.257 16.950 -1.387 1.00 0.00 C ATOM 67 C GLU A 5 -6.382 16.935 -0.138 1.00 0.00 C ATOM 68 O GLU A 5 -5.506 17.794 -0.009 1.00 0.00 O ATOM 69 CB GLU A 5 -7.849 18.346 -1.589 1.00 0.00 C ATOM 70 CG GLU A 5 -9.214 18.540 -0.947 1.00 0.00 C ATOM 71 CD GLU A 5 -9.456 19.971 -0.515 1.00 0.00 C ATOM 72 OE1 GLU A 5 -9.804 20.183 0.666 1.00 0.00 O ATOM 73 OE2 GLU A 5 -9.280 20.885 -1.343 1.00 0.00 O ATOM 0 H GLU A 5 -9.189 16.255 -0.946 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.603 16.686 -2.218 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.159 19.084 -1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.931 18.543 -2.658 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.989 18.241 -1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.301 17.883 -0.081 1.00 0.00 H new ATOM 80 N GLN A 6 -6.568 15.971 0.770 1.00 0.00 N ATOM 81 CA GLN A 6 -5.744 15.961 1.984 1.00 0.00 C ATOM 82 C GLN A 6 -5.963 14.752 2.896 1.00 0.00 C ATOM 83 O GLN A 6 -5.101 14.440 3.713 1.00 0.00 O ATOM 84 CB GLN A 6 -6.034 17.218 2.788 1.00 0.00 C ATOM 85 CG GLN A 6 -4.953 17.584 3.782 1.00 0.00 C ATOM 86 CD GLN A 6 -5.409 18.682 4.704 1.00 0.00 C ATOM 87 OE1 GLN A 6 -6.314 19.508 4.204 1.00 0.00 O flip ATOM 88 NE2 GLN A 6 -4.969 18.778 5.852 1.00 0.00 N flip ATOM 0 H GLN A 6 -7.251 15.217 0.696 1.00 0.00 H new ATOM 0 HA GLN A 6 -4.711 15.911 1.641 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -6.176 18.051 2.100 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -6.974 17.084 3.324 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -4.680 16.705 4.366 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -4.058 17.902 3.248 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -4.271 18.114 6.188 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -5.303 19.521 6.466 1.00 0.00 H new ATOM 97 N GLU A 7 -7.086 14.065 2.770 1.00 0.00 N ATOM 98 CA GLU A 7 -7.367 12.928 3.648 1.00 0.00 C ATOM 99 C GLU A 7 -6.598 11.679 3.239 1.00 0.00 C ATOM 100 O GLU A 7 -6.931 10.566 3.636 1.00 0.00 O ATOM 101 CB GLU A 7 -8.862 12.669 3.700 1.00 0.00 C ATOM 102 CG GLU A 7 -9.599 13.802 4.378 1.00 0.00 C ATOM 103 CD GLU A 7 -10.285 13.376 5.664 1.00 0.00 C ATOM 104 OE1 GLU A 7 -11.532 13.364 5.709 1.00 0.00 O ATOM 105 OE2 GLU A 7 -9.574 13.063 6.642 1.00 0.00 O ATOM 0 H GLU A 7 -7.811 14.265 2.081 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.022 13.185 4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.245 12.539 2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.052 11.738 4.235 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.896 14.606 4.596 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.343 14.206 3.692 1.00 0.00 H new ATOM 112 N PHE A 8 -5.566 11.902 2.442 1.00 0.00 N ATOM 113 CA PHE A 8 -4.671 10.892 1.956 1.00 0.00 C ATOM 114 C PHE A 8 -3.401 11.657 1.673 1.00 0.00 C ATOM 115 O PHE A 8 -3.153 12.066 0.544 1.00 0.00 O ATOM 116 CB PHE A 8 -5.162 10.254 0.655 1.00 0.00 C ATOM 117 CG PHE A 8 -6.648 10.222 0.478 1.00 0.00 C ATOM 118 CD1 PHE A 8 -7.396 9.107 0.816 1.00 0.00 C ATOM 119 CD2 PHE A 8 -7.297 11.320 -0.049 1.00 0.00 C ATOM 120 CE1 PHE A 8 -8.766 9.106 0.636 1.00 0.00 C ATOM 121 CE2 PHE A 8 -8.657 11.318 -0.226 1.00 0.00 C ATOM 122 CZ PHE A 8 -9.392 10.215 0.110 1.00 0.00 C ATOM 0 H PHE A 8 -5.328 12.836 2.108 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.565 10.078 2.673 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.725 10.796 -0.184 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.785 9.232 0.606 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.906 8.234 1.222 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.726 12.194 -0.326 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.346 8.236 0.908 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.149 12.190 -0.632 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.462 10.213 -0.037 1.00 0.00 H new ATOM 132 N ALA A 9 -2.633 11.924 2.701 1.00 0.00 N ATOM 133 CA ALA A 9 -1.456 12.712 2.534 1.00 0.00 C ATOM 134 C ALA A 9 -0.362 12.274 3.484 1.00 0.00 C ATOM 135 O ALA A 9 -0.376 11.155 3.999 1.00 0.00 O ATOM 136 CB ALA A 9 -1.827 14.177 2.728 1.00 0.00 C ATOM 0 H ALA A 9 -2.808 11.605 3.654 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.057 12.574 1.529 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.939 14.797 2.604 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.575 14.464 1.989 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.232 14.320 3.730 1.00 0.00 H new ATOM 142 N LEU A 10 0.570 13.173 3.697 1.00 0.00 N ATOM 143 CA LEU A 10 1.732 12.936 4.537 1.00 0.00 C ATOM 144 C LEU A 10 1.364 12.466 5.939 1.00 0.00 C ATOM 145 O LEU A 10 0.861 13.244 6.747 1.00 0.00 O ATOM 146 CB LEU A 10 2.533 14.220 4.620 1.00 0.00 C ATOM 147 CG LEU A 10 3.431 14.513 3.408 1.00 0.00 C ATOM 148 CD1 LEU A 10 2.656 15.236 2.313 1.00 0.00 C ATOM 149 CD2 LEU A 10 4.641 15.330 3.824 1.00 0.00 C ATOM 0 H LEU A 10 0.546 14.107 3.287 1.00 0.00 H new ATOM 0 HA LEU A 10 2.317 12.135 4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.841 15.053 4.749 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.157 14.183 5.513 1.00 0.00 H new ATOM 0 HG LEU A 10 3.775 13.559 3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.316 15.431 1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.822 14.615 1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.275 16.181 2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.264 15.527 2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.311 16.275 4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.218 14.775 4.564 1.00 0.00 H new ATOM 161 N GLY A 11 1.614 11.184 6.222 1.00 0.00 N ATOM 162 CA GLY A 11 1.312 10.636 7.531 1.00 0.00 C ATOM 163 C GLY A 11 -0.172 10.616 7.789 1.00 0.00 C ATOM 164 O GLY A 11 -0.625 10.519 8.936 1.00 0.00 O ATOM 0 H GLY A 11 2.021 10.519 5.564 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.709 9.624 7.604 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.808 11.229 8.299 1.00 0.00 H new ATOM 168 N GLY A 12 -0.926 10.710 6.712 1.00 0.00 N ATOM 169 CA GLY A 12 -2.358 10.715 6.809 1.00 0.00 C ATOM 170 C GLY A 12 -2.893 9.359 7.174 1.00 0.00 C ATOM 171 O GLY A 12 -2.307 8.328 6.822 1.00 0.00 O ATOM 0 H GLY A 12 -0.563 10.784 5.762 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.670 11.443 7.558 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.786 11.032 5.858 1.00 0.00 H new ATOM 175 N ARG A 13 -3.986 9.361 7.905 1.00 0.00 N ATOM 176 CA ARG A 13 -4.623 8.133 8.319 1.00 0.00 C ATOM 177 C ARG A 13 -5.695 7.798 7.307 1.00 0.00 C ATOM 178 O ARG A 13 -6.659 8.549 7.147 1.00 0.00 O ATOM 179 CB ARG A 13 -5.222 8.287 9.719 1.00 0.00 C ATOM 180 CG ARG A 13 -4.584 7.385 10.762 1.00 0.00 C ATOM 181 CD ARG A 13 -3.061 7.399 10.689 1.00 0.00 C ATOM 182 NE ARG A 13 -2.503 8.752 10.634 1.00 0.00 N ATOM 183 CZ ARG A 13 -2.436 9.588 11.674 1.00 0.00 C ATOM 184 NH1 ARG A 13 -2.975 9.260 12.844 1.00 0.00 N ATOM 185 NH2 ARG A 13 -1.842 10.768 11.529 1.00 0.00 N ATOM 0 H ARG A 13 -4.455 10.208 8.227 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.893 7.325 8.365 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.117 9.324 10.037 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.290 8.074 9.672 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.900 7.703 11.756 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.942 6.365 10.624 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.656 6.880 11.558 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.740 6.843 9.808 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.140 9.079 9.739 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.446 8.362 12.955 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.918 9.906 13.631 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.441 11.030 10.628 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.787 11.412 12.318 1.00 0.00 H new ATOM 199 N CYS A 14 -5.510 6.700 6.603 1.00 0.00 N ATOM 200 CA CYS A 14 -6.454 6.296 5.580 1.00 0.00 C ATOM 201 C CYS A 14 -6.753 4.813 5.657 1.00 0.00 C ATOM 202 O CYS A 14 -6.036 4.051 6.309 1.00 0.00 O ATOM 203 CB CYS A 14 -5.880 6.624 4.206 1.00 0.00 C ATOM 204 SG CYS A 14 -5.227 8.301 4.078 1.00 0.00 S ATOM 0 H CYS A 14 -4.715 6.071 6.720 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.385 6.840 5.742 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.085 5.915 3.975 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.658 6.487 3.454 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.194 9.123 3.794 1.00 0.00 H new ATOM 210 N LEU A 15 -7.840 4.426 5.019 1.00 0.00 N ATOM 211 CA LEU A 15 -8.227 3.039 4.943 1.00 0.00 C ATOM 212 C LEU A 15 -7.889 2.574 3.546 1.00 0.00 C ATOM 213 O LEU A 15 -8.138 3.296 2.591 1.00 0.00 O ATOM 214 CB LEU A 15 -9.724 2.854 5.208 1.00 0.00 C ATOM 215 CG LEU A 15 -10.122 2.684 6.673 1.00 0.00 C ATOM 216 CD1 LEU A 15 -11.565 2.228 6.774 1.00 0.00 C ATOM 217 CD2 LEU A 15 -9.210 1.694 7.375 1.00 0.00 C ATOM 0 H LEU A 15 -8.475 5.065 4.541 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.700 2.460 5.702 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.255 3.716 4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.067 1.980 4.654 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.019 3.650 7.167 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.837 2.110 7.823 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -12.215 2.971 6.312 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.682 1.274 6.260 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.516 1.592 8.416 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.276 0.725 6.881 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.182 2.053 7.333 1.00 0.00 H new ATOM 229 N ALA A 16 -7.328 1.402 3.398 1.00 0.00 N ATOM 230 CA ALA A 16 -6.970 0.952 2.071 1.00 0.00 C ATOM 231 C ALA A 16 -7.542 -0.419 1.811 1.00 0.00 C ATOM 232 O ALA A 16 -7.591 -1.266 2.705 1.00 0.00 O ATOM 233 CB ALA A 16 -5.464 0.994 1.863 1.00 0.00 C ATOM 0 H ALA A 16 -7.112 0.754 4.155 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.405 1.635 1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.226 0.650 0.856 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.107 2.016 1.991 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.978 0.346 2.592 1.00 0.00 H new ATOM 239 N PHE A 17 -7.989 -0.617 0.590 1.00 0.00 N ATOM 240 CA PHE A 17 -8.605 -1.861 0.195 1.00 0.00 C ATOM 241 C PHE A 17 -7.580 -2.922 -0.166 1.00 0.00 C ATOM 242 O PHE A 17 -6.966 -2.882 -1.234 1.00 0.00 O ATOM 243 CB PHE A 17 -9.551 -1.632 -0.987 1.00 0.00 C ATOM 244 CG PHE A 17 -10.963 -1.325 -0.578 1.00 0.00 C ATOM 245 CD1 PHE A 17 -11.460 -0.033 -0.660 1.00 0.00 C ATOM 246 CD2 PHE A 17 -11.798 -2.330 -0.114 1.00 0.00 C ATOM 247 CE1 PHE A 17 -12.760 0.249 -0.293 1.00 0.00 C ATOM 248 CE2 PHE A 17 -13.099 -2.053 0.257 1.00 0.00 C ATOM 249 CZ PHE A 17 -13.582 -0.761 0.168 1.00 0.00 C ATOM 0 H PHE A 17 -7.935 0.079 -0.154 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.169 -2.226 1.053 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.170 -0.809 -1.592 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.550 -2.520 -1.619 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.822 0.762 -1.015 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -11.426 -3.342 -0.042 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.135 1.259 -0.366 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.739 -2.845 0.616 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.599 -0.542 0.458 1.00 0.00 H new ATOM 259 N HIS A 18 -7.388 -3.852 0.744 1.00 0.00 N ATOM 260 CA HIS A 18 -6.496 -4.966 0.519 1.00 0.00 C ATOM 261 C HIS A 18 -7.385 -6.169 0.306 1.00 0.00 C ATOM 262 O HIS A 18 -7.991 -6.685 1.253 1.00 0.00 O ATOM 263 CB HIS A 18 -5.534 -5.186 1.692 1.00 0.00 C ATOM 264 CG HIS A 18 -4.241 -5.817 1.270 1.00 0.00 C ATOM 265 ND1 HIS A 18 -3.176 -5.056 0.853 1.00 0.00 N ATOM 266 CD2 HIS A 18 -3.902 -7.128 1.200 1.00 0.00 C ATOM 267 CE1 HIS A 18 -2.218 -5.912 0.540 1.00 0.00 C ATOM 268 NE2 HIS A 18 -2.612 -7.179 0.733 1.00 0.00 N ATOM 0 H HIS A 18 -7.844 -3.857 1.656 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.856 -4.779 -0.344 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.327 -4.229 2.171 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.016 -5.818 2.438 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.526 -7.970 1.461 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.242 -5.627 0.175 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.059 -8.020 0.565 1.00 0.00 H new ATOM 276 N GLY A 19 -7.516 -6.573 -0.942 1.00 0.00 N ATOM 277 CA GLY A 19 -8.392 -7.670 -1.254 1.00 0.00 C ATOM 278 C GLY A 19 -9.828 -7.207 -1.176 1.00 0.00 C ATOM 279 O GLY A 19 -10.233 -6.325 -1.934 1.00 0.00 O ATOM 0 H GLY A 19 -7.033 -6.162 -1.741 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.175 -8.050 -2.252 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.225 -8.492 -0.557 1.00 0.00 H new ATOM 283 N PRO A 20 -10.624 -7.769 -0.264 1.00 0.00 N ATOM 284 CA PRO A 20 -12.010 -7.388 -0.093 1.00 0.00 C ATOM 285 C PRO A 20 -12.257 -6.427 1.065 1.00 0.00 C ATOM 286 O PRO A 20 -13.379 -5.952 1.235 1.00 0.00 O ATOM 287 CB PRO A 20 -12.676 -8.723 0.221 1.00 0.00 C ATOM 288 CG PRO A 20 -11.595 -9.602 0.799 1.00 0.00 C ATOM 289 CD PRO A 20 -10.276 -8.878 0.625 1.00 0.00 C ATOM 0 HA PRO A 20 -12.382 -6.861 -0.971 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -13.494 -8.594 0.930 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.101 -9.168 -0.679 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.786 -9.801 1.853 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -11.573 -10.566 0.291 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.882 -8.523 1.577 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.516 -9.524 0.186 1.00 0.00 H new ATOM 297 N LEU A 21 -11.233 -6.114 1.862 1.00 0.00 N ATOM 298 CA LEU A 21 -11.463 -5.258 3.019 1.00 0.00 C ATOM 299 C LEU A 21 -10.576 -4.028 3.103 1.00 0.00 C ATOM 300 O LEU A 21 -9.548 -3.914 2.442 1.00 0.00 O ATOM 301 CB LEU A 21 -11.315 -6.063 4.307 1.00 0.00 C ATOM 302 CG LEU A 21 -12.545 -6.880 4.687 1.00 0.00 C ATOM 303 CD1 LEU A 21 -12.519 -7.249 6.158 1.00 0.00 C ATOM 304 CD2 LEU A 21 -13.804 -6.100 4.375 1.00 0.00 C ATOM 0 H LEU A 21 -10.271 -6.429 1.733 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.480 -4.888 2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.465 -6.737 4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.082 -5.379 5.123 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.536 -7.799 4.102 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.407 -7.831 6.403 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.628 -7.840 6.369 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.503 -6.341 6.761 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -14.677 -6.692 4.650 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.805 -5.169 4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.839 -5.877 3.309 1.00 0.00 H new ATOM 316 N MET A 22 -11.019 -3.123 3.967 1.00 0.00 N ATOM 317 CA MET A 22 -10.343 -1.871 4.252 1.00 0.00 C ATOM 318 C MET A 22 -9.479 -2.039 5.497 1.00 0.00 C ATOM 319 O MET A 22 -9.964 -2.475 6.538 1.00 0.00 O ATOM 320 CB MET A 22 -11.388 -0.767 4.479 1.00 0.00 C ATOM 321 CG MET A 22 -11.518 0.188 3.300 1.00 0.00 C ATOM 322 SD MET A 22 -12.793 1.440 3.536 1.00 0.00 S ATOM 323 CE MET A 22 -14.274 0.437 3.461 1.00 0.00 C ATOM 0 H MET A 22 -11.880 -3.246 4.500 1.00 0.00 H new ATOM 0 HA MET A 22 -9.709 -1.592 3.411 1.00 0.00 H new ATOM 0 HB2 MET A 22 -12.357 -1.227 4.674 1.00 0.00 H new ATOM 0 HB3 MET A 22 -11.120 -0.199 5.370 1.00 0.00 H new ATOM 0 HG2 MET A 22 -10.560 0.681 3.133 1.00 0.00 H new ATOM 0 HG3 MET A 22 -11.743 -0.385 2.400 1.00 0.00 H new ATOM 0 HE1 MET A 22 -15.015 0.928 2.830 1.00 0.00 H new ATOM 0 HE2 MET A 22 -14.031 -0.540 3.042 1.00 0.00 H new ATOM 0 HE3 MET A 22 -14.679 0.311 4.465 1.00 0.00 H new ATOM 333 N TYR A 23 -8.204 -1.721 5.393 1.00 0.00 N ATOM 334 CA TYR A 23 -7.302 -1.855 6.528 1.00 0.00 C ATOM 335 C TYR A 23 -6.643 -0.527 6.852 1.00 0.00 C ATOM 336 O TYR A 23 -6.450 0.301 5.962 1.00 0.00 O ATOM 337 CB TYR A 23 -6.237 -2.915 6.241 1.00 0.00 C ATOM 338 CG TYR A 23 -6.746 -4.341 6.319 1.00 0.00 C ATOM 339 CD1 TYR A 23 -7.481 -4.788 7.414 1.00 0.00 C ATOM 340 CD2 TYR A 23 -6.488 -5.243 5.295 1.00 0.00 C ATOM 341 CE1 TYR A 23 -7.939 -6.091 7.483 1.00 0.00 C ATOM 342 CE2 TYR A 23 -6.943 -6.546 5.358 1.00 0.00 C ATOM 343 CZ TYR A 23 -7.669 -6.964 6.453 1.00 0.00 C ATOM 344 OH TYR A 23 -8.125 -8.263 6.522 1.00 0.00 O ATOM 0 H TYR A 23 -7.767 -1.370 4.541 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.888 -2.169 7.392 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.826 -2.741 5.247 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.418 -2.793 6.950 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.697 -4.106 8.223 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.922 -4.920 4.434 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.506 -6.422 8.341 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.731 -7.234 4.553 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.851 -8.749 5.716 1.00 0.00 H new ATOM 354 N GLU A 24 -6.329 -0.320 8.130 1.00 0.00 N ATOM 355 CA GLU A 24 -5.682 0.909 8.580 1.00 0.00 C ATOM 356 C GLU A 24 -4.343 1.088 7.885 1.00 0.00 C ATOM 357 O GLU A 24 -3.467 0.228 7.972 1.00 0.00 O ATOM 358 CB GLU A 24 -5.470 0.898 10.095 1.00 0.00 C ATOM 359 CG GLU A 24 -6.595 1.551 10.876 1.00 0.00 C ATOM 360 CD GLU A 24 -7.726 0.597 11.182 1.00 0.00 C ATOM 361 OE1 GLU A 24 -7.449 -0.580 11.490 1.00 0.00 O ATOM 362 OE2 GLU A 24 -8.897 1.021 11.124 1.00 0.00 O ATOM 0 H GLU A 24 -6.514 -0.992 8.875 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.338 1.741 8.324 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.359 -0.134 10.429 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.536 1.410 10.325 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.199 1.949 11.810 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.983 2.397 10.308 1.00 0.00 H new ATOM 369 N ALA A 25 -4.184 2.200 7.202 1.00 0.00 N ATOM 370 CA ALA A 25 -2.958 2.467 6.484 1.00 0.00 C ATOM 371 C ALA A 25 -2.343 3.804 6.873 1.00 0.00 C ATOM 372 O ALA A 25 -3.034 4.821 6.958 1.00 0.00 O ATOM 373 CB ALA A 25 -3.233 2.427 4.994 1.00 0.00 C ATOM 0 H ALA A 25 -4.889 2.934 7.129 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.235 1.696 6.751 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.311 2.628 4.448 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.610 1.442 4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.976 3.183 4.741 1.00 0.00 H new ATOM 379 N LYS A 26 -1.043 3.778 7.141 1.00 0.00 N ATOM 380 CA LYS A 26 -0.298 4.980 7.477 1.00 0.00 C ATOM 381 C LYS A 26 0.535 5.375 6.270 1.00 0.00 C ATOM 382 O LYS A 26 1.495 4.685 5.923 1.00 0.00 O ATOM 383 CB LYS A 26 0.609 4.730 8.691 1.00 0.00 C ATOM 384 CG LYS A 26 1.560 5.876 9.002 1.00 0.00 C ATOM 385 CD LYS A 26 2.527 5.508 10.116 1.00 0.00 C ATOM 386 CE LYS A 26 3.750 6.413 10.109 1.00 0.00 C ATOM 387 NZ LYS A 26 4.708 6.077 11.199 1.00 0.00 N ATOM 0 H LYS A 26 -0.480 2.927 7.131 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.988 5.783 7.736 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.015 4.543 9.565 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.192 3.826 8.516 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.120 6.140 8.105 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.988 6.757 9.291 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.022 5.584 11.079 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.839 4.470 10.001 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.255 6.331 9.146 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.432 7.450 10.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.576 6.638 11.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.276 6.294 12.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.942 5.065 11.156 1.00 0.00 H new ATOM 401 N ILE A 27 0.150 6.458 5.613 1.00 0.00 N ATOM 402 CA ILE A 27 0.863 6.918 4.428 1.00 0.00 C ATOM 403 C ILE A 27 2.210 7.499 4.791 1.00 0.00 C ATOM 404 O ILE A 27 2.310 8.467 5.541 1.00 0.00 O ATOM 405 CB ILE A 27 0.051 7.952 3.626 1.00 0.00 C ATOM 406 CG1 ILE A 27 -1.376 7.448 3.406 1.00 0.00 C ATOM 407 CG2 ILE A 27 0.730 8.230 2.292 1.00 0.00 C ATOM 408 CD1 ILE A 27 -2.319 8.499 2.868 1.00 0.00 C ATOM 0 H ILE A 27 -0.649 7.034 5.878 1.00 0.00 H new ATOM 0 HA ILE A 27 1.011 6.041 3.797 1.00 0.00 H new ATOM 0 HB ILE A 27 0.005 8.882 4.193 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.351 6.607 2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.768 7.071 4.351 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.148 8.962 1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.732 8.621 2.468 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.797 7.306 1.718 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.311 8.066 2.739 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.375 9.331 3.570 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.952 8.859 1.907 1.00 0.00 H new ATOM 420 N LEU A 28 3.241 6.886 4.241 1.00 0.00 N ATOM 421 CA LEU A 28 4.597 7.300 4.496 1.00 0.00 C ATOM 422 C LEU A 28 5.191 8.030 3.296 1.00 0.00 C ATOM 423 O LEU A 28 6.118 8.831 3.438 1.00 0.00 O ATOM 424 CB LEU A 28 5.445 6.090 4.842 1.00 0.00 C ATOM 425 CG LEU A 28 6.554 6.391 5.823 1.00 0.00 C ATOM 426 CD1 LEU A 28 6.007 6.495 7.238 1.00 0.00 C ATOM 427 CD2 LEU A 28 7.650 5.344 5.735 1.00 0.00 C ATOM 0 H LEU A 28 3.157 6.091 3.608 1.00 0.00 H new ATOM 0 HA LEU A 28 4.589 7.993 5.337 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.803 5.314 5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.880 5.687 3.927 1.00 0.00 H new ATOM 0 HG LEU A 28 6.991 7.355 5.561 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.822 6.712 7.928 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.269 7.296 7.285 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.537 5.552 7.517 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.438 5.581 6.450 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.235 4.363 5.964 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.065 5.336 4.727 1.00 0.00 H new ATOM 439 N LYS A 29 4.685 7.729 2.108 1.00 0.00 N ATOM 440 CA LYS A 29 5.168 8.385 0.899 1.00 0.00 C ATOM 441 C LYS A 29 4.017 8.628 -0.075 1.00 0.00 C ATOM 442 O LYS A 29 3.399 7.688 -0.551 1.00 0.00 O ATOM 443 CB LYS A 29 6.258 7.547 0.199 1.00 0.00 C ATOM 444 CG LYS A 29 7.109 6.702 1.139 1.00 0.00 C ATOM 445 CD LYS A 29 8.462 6.344 0.532 1.00 0.00 C ATOM 446 CE LYS A 29 8.348 5.262 -0.529 1.00 0.00 C ATOM 447 NZ LYS A 29 9.603 4.476 -0.655 1.00 0.00 N ATOM 0 H LYS A 29 3.947 7.042 1.955 1.00 0.00 H new ATOM 0 HA LYS A 29 5.601 9.339 1.199 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.781 6.890 -0.528 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.912 8.218 -0.358 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.264 7.245 2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.572 5.787 1.388 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.908 7.236 0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.134 6.007 1.321 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.524 4.593 -0.279 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.108 5.719 -1.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.463 3.706 -1.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.370 5.097 -0.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.856 4.075 0.271 1.00 0.00 H new ATOM 461 N ILE A 30 3.746 9.889 -0.370 1.00 0.00 N ATOM 462 CA ILE A 30 2.678 10.258 -1.300 1.00 0.00 C ATOM 463 C ILE A 30 3.245 10.226 -2.704 1.00 0.00 C ATOM 464 O ILE A 30 4.402 10.544 -2.890 1.00 0.00 O ATOM 465 CB ILE A 30 2.100 11.667 -0.976 1.00 0.00 C ATOM 466 CG1 ILE A 30 1.218 11.620 0.269 1.00 0.00 C ATOM 467 CG2 ILE A 30 1.298 12.226 -2.141 1.00 0.00 C ATOM 468 CD1 ILE A 30 1.977 11.368 1.547 1.00 0.00 C ATOM 0 H ILE A 30 4.252 10.683 0.022 1.00 0.00 H new ATOM 0 HA ILE A 30 1.855 9.549 -1.206 1.00 0.00 H new ATOM 0 HB ILE A 30 2.950 12.325 -0.792 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.681 12.564 0.357 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.469 10.838 0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.911 13.210 -1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.941 12.312 -3.017 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.467 11.557 -2.365 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.281 11.349 2.386 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.492 10.410 1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.707 12.163 1.699 1.00 0.00 H new ATOM 480 N TRP A 31 2.460 9.849 -3.690 1.00 0.00 N ATOM 481 CA TRP A 31 2.979 9.763 -5.033 1.00 0.00 C ATOM 482 C TRP A 31 2.349 10.775 -5.967 1.00 0.00 C ATOM 483 O TRP A 31 1.128 10.791 -6.127 1.00 0.00 O ATOM 484 CB TRP A 31 2.730 8.387 -5.595 1.00 0.00 C ATOM 485 CG TRP A 31 3.095 8.311 -7.028 1.00 0.00 C ATOM 486 CD1 TRP A 31 2.266 8.338 -8.102 1.00 0.00 C ATOM 487 CD2 TRP A 31 4.404 8.244 -7.533 1.00 0.00 C ATOM 488 NE1 TRP A 31 2.996 8.245 -9.260 1.00 0.00 N ATOM 489 CE2 TRP A 31 4.317 8.188 -8.929 1.00 0.00 C ATOM 490 CE3 TRP A 31 5.644 8.213 -6.925 1.00 0.00 C ATOM 491 CZ2 TRP A 31 5.436 8.095 -9.728 1.00 0.00 C ATOM 492 CZ3 TRP A 31 6.755 8.125 -7.714 1.00 0.00 C ATOM 493 CH2 TRP A 31 6.644 8.068 -9.104 1.00 0.00 C ATOM 0 H TRP A 31 1.476 9.601 -3.588 1.00 0.00 H new ATOM 0 HA TRP A 31 4.047 9.973 -4.967 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.307 7.653 -5.032 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.678 8.128 -5.472 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.190 8.421 -8.053 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.615 8.222 -10.206 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.733 8.257 -5.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.357 8.046 -10.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.733 8.099 -7.256 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.542 8.001 -9.700 1.00 0.00 H new ATOM 504 N ASP A 32 3.194 11.554 -6.631 1.00 0.00 N ATOM 505 CA ASP A 32 2.738 12.562 -7.573 1.00 0.00 C ATOM 506 C ASP A 32 2.993 12.110 -9.011 1.00 0.00 C ATOM 507 O ASP A 32 4.135 12.095 -9.475 1.00 0.00 O ATOM 508 CB ASP A 32 3.442 13.891 -7.323 1.00 0.00 C ATOM 509 CG ASP A 32 2.920 14.975 -8.238 1.00 0.00 C ATOM 510 OD1 ASP A 32 3.666 15.404 -9.150 1.00 0.00 O ATOM 511 OD2 ASP A 32 1.753 15.383 -8.060 1.00 0.00 O ATOM 0 H ASP A 32 4.208 11.504 -6.531 1.00 0.00 H new ATOM 0 HA ASP A 32 1.666 12.696 -7.427 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.299 14.190 -6.285 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.515 13.770 -7.475 1.00 0.00 H new ATOM 516 N PRO A 33 1.922 11.760 -9.740 1.00 0.00 N ATOM 517 CA PRO A 33 2.010 11.288 -11.130 1.00 0.00 C ATOM 518 C PRO A 33 2.206 12.421 -12.129 1.00 0.00 C ATOM 519 O PRO A 33 2.187 12.211 -13.341 1.00 0.00 O ATOM 520 CB PRO A 33 0.646 10.641 -11.347 1.00 0.00 C ATOM 521 CG PRO A 33 -0.273 11.426 -10.483 1.00 0.00 C ATOM 522 CD PRO A 33 0.525 11.795 -9.264 1.00 0.00 C ATOM 0 HA PRO A 33 2.863 10.626 -11.282 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.345 10.688 -12.394 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.655 9.588 -11.065 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.631 12.316 -11.000 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.151 10.840 -10.213 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.253 12.782 -8.891 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.361 11.090 -8.449 1.00 0.00 H new ATOM 530 N SER A 34 2.406 13.617 -11.609 1.00 0.00 N ATOM 531 CA SER A 34 2.587 14.791 -12.444 1.00 0.00 C ATOM 532 C SER A 34 4.066 15.004 -12.729 1.00 0.00 C ATOM 533 O SER A 34 4.445 15.599 -13.739 1.00 0.00 O ATOM 534 CB SER A 34 1.984 16.022 -11.753 1.00 0.00 C ATOM 535 OG SER A 34 1.827 17.103 -12.658 1.00 0.00 O ATOM 0 H SER A 34 2.447 13.802 -10.607 1.00 0.00 H new ATOM 0 HA SER A 34 2.072 14.640 -13.393 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.016 15.762 -11.324 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.627 16.328 -10.927 1.00 0.00 H new ATOM 0 HG SER A 34 1.440 17.870 -12.187 1.00 0.00 H new ATOM 541 N SER A 35 4.900 14.487 -11.846 1.00 0.00 N ATOM 542 CA SER A 35 6.339 14.619 -11.984 1.00 0.00 C ATOM 543 C SER A 35 6.991 13.244 -11.974 1.00 0.00 C ATOM 544 O SER A 35 8.098 13.062 -12.484 1.00 0.00 O ATOM 545 CB SER A 35 6.886 15.475 -10.843 1.00 0.00 C ATOM 546 OG SER A 35 5.956 16.485 -10.475 1.00 0.00 O ATOM 0 H SER A 35 4.603 13.968 -11.020 1.00 0.00 H new ATOM 0 HA SER A 35 6.568 15.104 -12.933 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.103 14.844 -9.981 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.827 15.934 -11.147 1.00 0.00 H new ATOM 0 HG SER A 35 5.243 16.091 -9.930 1.00 0.00 H new ATOM 552 N LYS A 36 6.294 12.296 -11.344 1.00 0.00 N ATOM 553 CA LYS A 36 6.728 10.919 -11.219 1.00 0.00 C ATOM 554 C LYS A 36 7.722 10.841 -10.088 1.00 0.00 C ATOM 555 O LYS A 36 8.690 10.077 -10.082 1.00 0.00 O ATOM 556 CB LYS A 36 7.277 10.313 -12.505 1.00 0.00 C ATOM 557 CG LYS A 36 7.356 8.808 -12.398 1.00 0.00 C ATOM 558 CD LYS A 36 7.942 8.159 -13.638 1.00 0.00 C ATOM 559 CE LYS A 36 8.399 6.738 -13.347 1.00 0.00 C ATOM 560 NZ LYS A 36 8.556 5.935 -14.585 1.00 0.00 N ATOM 0 H LYS A 36 5.394 12.477 -10.900 1.00 0.00 H new ATOM 0 HA LYS A 36 5.851 10.309 -11.000 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.638 10.589 -13.344 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.267 10.720 -12.710 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.963 8.541 -11.533 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.357 8.408 -12.222 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.197 8.149 -14.434 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.785 8.749 -13.998 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.348 6.766 -12.811 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.676 6.253 -12.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.869 4.974 -14.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.645 5.885 -15.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.265 6.382 -15.201 1.00 0.00 H new ATOM 574 N MET A 37 7.442 11.685 -9.136 1.00 0.00 N ATOM 575 CA MET A 37 8.167 11.790 -7.930 1.00 0.00 C ATOM 576 C MET A 37 7.179 11.442 -6.838 1.00 0.00 C ATOM 577 O MET A 37 5.982 11.316 -7.101 1.00 0.00 O ATOM 578 CB MET A 37 8.693 13.217 -7.747 1.00 0.00 C ATOM 579 CG MET A 37 9.617 13.690 -8.857 1.00 0.00 C ATOM 580 SD MET A 37 9.834 15.480 -8.858 1.00 0.00 S ATOM 581 CE MET A 37 11.254 15.645 -9.936 1.00 0.00 C ATOM 0 H MET A 37 6.664 12.342 -9.195 1.00 0.00 H new ATOM 0 HA MET A 37 9.034 11.130 -7.916 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.845 13.899 -7.681 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.225 13.277 -6.797 1.00 0.00 H new ATOM 0 HG2 MET A 37 10.589 13.209 -8.746 1.00 0.00 H new ATOM 0 HG3 MET A 37 9.214 13.375 -9.820 1.00 0.00 H new ATOM 0 HE1 MET A 37 11.513 16.699 -10.038 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.099 15.103 -9.511 1.00 0.00 H new ATOM 0 HE3 MET A 37 11.016 15.234 -10.917 1.00 0.00 H new ATOM 591 N TYR A 38 7.646 11.320 -5.641 1.00 0.00 N ATOM 592 CA TYR A 38 6.798 10.985 -4.539 1.00 0.00 C ATOM 593 C TYR A 38 7.278 11.795 -3.358 1.00 0.00 C ATOM 594 O TYR A 38 8.446 12.201 -3.321 1.00 0.00 O ATOM 595 CB TYR A 38 6.830 9.479 -4.244 1.00 0.00 C ATOM 596 CG TYR A 38 8.177 8.931 -3.856 1.00 0.00 C ATOM 597 CD1 TYR A 38 9.052 8.448 -4.818 1.00 0.00 C ATOM 598 CD2 TYR A 38 8.559 8.873 -2.530 1.00 0.00 C ATOM 599 CE1 TYR A 38 10.279 7.930 -4.464 1.00 0.00 C ATOM 600 CE2 TYR A 38 9.782 8.361 -2.165 1.00 0.00 C ATOM 601 CZ TYR A 38 10.640 7.887 -3.135 1.00 0.00 C ATOM 602 OH TYR A 38 11.863 7.370 -2.772 1.00 0.00 O ATOM 0 H TYR A 38 8.627 11.449 -5.395 1.00 0.00 H new ATOM 0 HA TYR A 38 5.758 11.220 -4.766 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.124 9.267 -3.441 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.478 8.944 -5.126 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.768 8.478 -5.859 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.886 9.236 -1.767 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.953 7.560 -5.223 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.069 8.330 -1.124 1.00 0.00 H new ATOM 0 HH TYR A 38 11.900 6.420 -3.010 1.00 0.00 H new ATOM 612 N THR A 39 6.418 12.057 -2.413 1.00 0.00 N ATOM 613 CA THR A 39 6.825 12.837 -1.281 1.00 0.00 C ATOM 614 C THR A 39 6.671 12.032 -0.005 1.00 0.00 C ATOM 615 O THR A 39 5.562 11.737 0.444 1.00 0.00 O ATOM 616 CB THR A 39 6.060 14.163 -1.202 1.00 0.00 C ATOM 617 OG1 THR A 39 4.688 13.939 -0.851 1.00 0.00 O ATOM 618 CG2 THR A 39 6.126 14.901 -2.526 1.00 0.00 C ATOM 0 H THR A 39 5.446 11.747 -2.404 1.00 0.00 H new ATOM 0 HA THR A 39 7.879 13.087 -1.404 1.00 0.00 H new ATOM 0 HB THR A 39 6.531 14.771 -0.430 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.633 13.220 -0.187 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.577 15.839 -2.447 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.167 15.110 -2.775 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.682 14.285 -3.308 1.00 0.00 H new ATOM 626 N SER A 40 7.802 11.658 0.548 1.00 0.00 N ATOM 627 CA SER A 40 7.839 10.869 1.758 1.00 0.00 C ATOM 628 C SER A 40 7.941 11.775 2.976 1.00 0.00 C ATOM 629 O SER A 40 7.975 13.000 2.853 1.00 0.00 O ATOM 630 CB SER A 40 9.022 9.895 1.712 1.00 0.00 C ATOM 631 OG SER A 40 8.891 8.877 2.694 1.00 0.00 O ATOM 0 H SER A 40 8.721 11.892 0.172 1.00 0.00 H new ATOM 0 HA SER A 40 6.916 10.294 1.834 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.085 9.443 0.722 1.00 0.00 H new ATOM 0 HB3 SER A 40 9.952 10.441 1.873 1.00 0.00 H new ATOM 0 HG SER A 40 7.967 8.853 3.019 1.00 0.00 H new ATOM 637 N ILE A 41 7.949 11.172 4.145 1.00 0.00 N ATOM 638 CA ILE A 41 8.056 11.923 5.389 1.00 0.00 C ATOM 639 C ILE A 41 8.921 11.182 6.400 1.00 0.00 C ATOM 640 O ILE A 41 8.680 10.011 6.694 1.00 0.00 O ATOM 641 CB ILE A 41 6.678 12.189 6.041 1.00 0.00 C ATOM 642 CG1 ILE A 41 5.536 11.996 5.043 1.00 0.00 C ATOM 643 CG2 ILE A 41 6.633 13.588 6.640 1.00 0.00 C ATOM 644 CD1 ILE A 41 4.642 10.826 5.384 1.00 0.00 C ATOM 0 H ILE A 41 7.883 10.161 4.266 1.00 0.00 H new ATOM 0 HA ILE A 41 8.511 12.877 5.123 1.00 0.00 H new ATOM 0 HB ILE A 41 6.544 11.460 6.840 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.936 12.905 5.006 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.953 11.849 4.047 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.657 13.758 7.094 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.408 13.684 7.400 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.801 14.325 5.855 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.852 10.743 4.638 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.231 9.909 5.393 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.198 10.982 6.367 1.00 0.00 H new ATOM 656 N PRO A 42 9.948 11.850 6.946 1.00 0.00 N ATOM 657 CA PRO A 42 10.829 11.256 7.935 1.00 0.00 C ATOM 658 C PRO A 42 10.263 11.419 9.345 1.00 0.00 C ATOM 659 O PRO A 42 10.162 12.535 9.860 1.00 0.00 O ATOM 660 CB PRO A 42 12.136 12.054 7.780 1.00 0.00 C ATOM 661 CG PRO A 42 11.830 13.205 6.861 1.00 0.00 C ATOM 662 CD PRO A 42 10.338 13.227 6.646 1.00 0.00 C ATOM 0 HA PRO A 42 10.962 10.184 7.789 1.00 0.00 H new ATOM 0 HB2 PRO A 42 12.488 12.413 8.747 1.00 0.00 H new ATOM 0 HB3 PRO A 42 12.926 11.427 7.366 1.00 0.00 H new ATOM 0 HG2 PRO A 42 12.169 14.145 7.297 1.00 0.00 H new ATOM 0 HG3 PRO A 42 12.353 13.088 5.912 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.845 13.940 7.306 1.00 0.00 H new ATOM 0 HD3 PRO A 42 10.080 13.507 5.625 1.00 0.00 H new ATOM 670 N ASN A 43 9.904 10.302 9.964 1.00 0.00 N ATOM 671 CA ASN A 43 9.347 10.306 11.314 1.00 0.00 C ATOM 672 C ASN A 43 9.777 9.055 12.059 1.00 0.00 C ATOM 673 O ASN A 43 10.336 9.126 13.154 1.00 0.00 O ATOM 674 CB ASN A 43 7.815 10.356 11.276 1.00 0.00 C ATOM 675 CG ASN A 43 7.260 11.762 11.376 1.00 0.00 C ATOM 676 OD1 ASN A 43 7.177 12.337 12.462 1.00 0.00 O ATOM 677 ND2 ASN A 43 6.853 12.316 10.245 1.00 0.00 N ATOM 0 H ASN A 43 9.989 9.374 9.550 1.00 0.00 H new ATOM 0 HA ASN A 43 9.721 11.193 11.826 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.466 9.900 10.350 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.418 9.757 12.095 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.453 13.254 10.252 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.940 11.805 9.367 1.00 0.00 H new ATOM 684 N ASP A 44 9.490 7.909 11.453 1.00 0.00 N ATOM 685 CA ASP A 44 9.837 6.615 12.022 1.00 0.00 C ATOM 686 C ASP A 44 11.347 6.478 12.170 1.00 0.00 C ATOM 687 O ASP A 44 11.844 6.050 13.211 1.00 0.00 O ATOM 688 CB ASP A 44 9.280 5.486 11.142 1.00 0.00 C ATOM 689 CG ASP A 44 7.771 5.565 10.986 1.00 0.00 C ATOM 690 OD1 ASP A 44 7.276 6.572 10.429 1.00 0.00 O ATOM 691 OD2 ASP A 44 7.069 4.630 11.418 1.00 0.00 O ATOM 0 H ASP A 44 9.011 7.852 10.554 1.00 0.00 H new ATOM 0 HA ASP A 44 9.391 6.542 13.014 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.747 5.532 10.158 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.548 4.523 11.578 1.00 0.00 H new ATOM 696 N LYS A 45 12.072 6.856 11.127 1.00 0.00 N ATOM 697 CA LYS A 45 13.524 6.786 11.150 1.00 0.00 C ATOM 698 C LYS A 45 14.095 8.014 11.857 1.00 0.00 C ATOM 699 O LYS A 45 13.704 9.146 11.573 1.00 0.00 O ATOM 700 CB LYS A 45 14.095 6.656 9.730 1.00 0.00 C ATOM 701 CG LYS A 45 13.599 7.709 8.748 1.00 0.00 C ATOM 702 CD LYS A 45 14.382 7.663 7.442 1.00 0.00 C ATOM 703 CE LYS A 45 14.265 6.304 6.760 1.00 0.00 C ATOM 704 NZ LYS A 45 15.012 6.257 5.473 1.00 0.00 N ATOM 0 H LYS A 45 11.679 7.213 10.256 1.00 0.00 H new ATOM 0 HA LYS A 45 13.818 5.895 11.705 1.00 0.00 H new ATOM 0 HB2 LYS A 45 15.182 6.711 9.783 1.00 0.00 H new ATOM 0 HB3 LYS A 45 13.845 5.669 9.341 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.540 7.549 8.545 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.692 8.699 9.195 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.015 8.440 6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.431 7.882 7.639 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.644 5.530 7.427 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.214 6.080 6.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.905 5.316 5.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.634 6.978 4.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.020 6.445 5.649 1.00 0.00 H new ATOM 718 N PRO A 46 15.005 7.795 12.811 1.00 0.00 N ATOM 719 CA PRO A 46 15.624 8.869 13.587 1.00 0.00 C ATOM 720 C PRO A 46 16.610 9.700 12.772 1.00 0.00 C ATOM 721 O PRO A 46 17.671 9.212 12.370 1.00 0.00 O ATOM 722 CB PRO A 46 16.357 8.134 14.720 1.00 0.00 C ATOM 723 CG PRO A 46 15.887 6.718 14.653 1.00 0.00 C ATOM 724 CD PRO A 46 15.496 6.478 13.228 1.00 0.00 C ATOM 0 HA PRO A 46 14.877 9.582 13.936 1.00 0.00 H new ATOM 0 HB2 PRO A 46 17.438 8.194 14.591 1.00 0.00 H new ATOM 0 HB3 PRO A 46 16.126 8.578 15.688 1.00 0.00 H new ATOM 0 HG2 PRO A 46 16.675 6.031 14.962 1.00 0.00 H new ATOM 0 HG3 PRO A 46 15.042 6.556 15.322 1.00 0.00 H new ATOM 0 HD2 PRO A 46 16.342 6.150 12.624 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.726 5.711 13.141 1.00 0.00 H new ATOM 732 N GLY A 47 16.248 10.954 12.529 1.00 0.00 N ATOM 733 CA GLY A 47 17.107 11.854 11.784 1.00 0.00 C ATOM 734 C GLY A 47 17.198 11.506 10.311 1.00 0.00 C ATOM 735 O GLY A 47 16.181 11.368 9.627 1.00 0.00 O ATOM 0 H GLY A 47 15.367 11.366 12.838 1.00 0.00 H new ATOM 0 HA2 GLY A 47 16.733 12.873 11.888 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.107 11.835 12.218 1.00 0.00 H new ATOM 739 N GLY A 48 18.425 11.362 9.830 1.00 0.00 N ATOM 740 CA GLY A 48 18.662 11.041 8.437 1.00 0.00 C ATOM 741 C GLY A 48 20.084 11.355 8.019 1.00 0.00 C ATOM 742 O GLY A 48 20.941 11.623 8.866 1.00 0.00 O ATOM 0 H GLY A 48 19.272 11.464 10.389 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.459 9.983 8.269 1.00 0.00 H new ATOM 0 HA3 GLY A 48 17.967 11.602 7.812 1.00 0.00 H new ATOM 746 N SER A 49 20.336 11.320 6.719 1.00 0.00 N ATOM 747 CA SER A 49 21.659 11.603 6.182 1.00 0.00 C ATOM 748 C SER A 49 21.887 13.110 6.072 1.00 0.00 C ATOM 749 O SER A 49 20.968 13.902 6.283 1.00 0.00 O ATOM 750 CB SER A 49 21.806 10.955 4.802 1.00 0.00 C ATOM 751 OG SER A 49 21.027 9.775 4.703 1.00 0.00 O ATOM 0 H SER A 49 19.636 11.097 6.012 1.00 0.00 H new ATOM 0 HA SER A 49 22.405 11.189 6.861 1.00 0.00 H new ATOM 0 HB2 SER A 49 21.499 11.662 4.031 1.00 0.00 H new ATOM 0 HB3 SER A 49 22.854 10.718 4.619 1.00 0.00 H new ATOM 0 HG SER A 49 21.138 9.383 3.812 1.00 0.00 H new ATOM 757 N SER A 50 23.111 13.501 5.754 1.00 0.00 N ATOM 758 CA SER A 50 23.447 14.909 5.604 1.00 0.00 C ATOM 759 C SER A 50 23.355 15.332 4.147 1.00 0.00 C ATOM 760 O SER A 50 23.140 16.504 3.840 1.00 0.00 O ATOM 761 CB SER A 50 24.856 15.168 6.127 1.00 0.00 C ATOM 762 OG SER A 50 25.029 14.601 7.416 1.00 0.00 O ATOM 0 H SER A 50 23.890 12.862 5.594 1.00 0.00 H new ATOM 0 HA SER A 50 22.733 15.495 6.183 1.00 0.00 H new ATOM 0 HB2 SER A 50 25.587 14.745 5.438 1.00 0.00 H new ATOM 0 HB3 SER A 50 25.041 16.241 6.169 1.00 0.00 H new ATOM 0 HG SER A 50 25.940 14.777 7.731 1.00 0.00 H new ATOM 768 N GLN A 51 23.518 14.365 3.251 1.00 0.00 N ATOM 769 CA GLN A 51 23.469 14.629 1.818 1.00 0.00 C ATOM 770 C GLN A 51 22.196 14.053 1.216 1.00 0.00 C ATOM 771 O GLN A 51 22.067 13.937 -0.004 1.00 0.00 O ATOM 772 CB GLN A 51 24.692 14.027 1.115 1.00 0.00 C ATOM 773 CG GLN A 51 25.962 14.035 1.951 1.00 0.00 C ATOM 774 CD GLN A 51 26.174 12.733 2.701 1.00 0.00 C ATOM 775 OE1 GLN A 51 25.686 12.557 3.820 1.00 0.00 O ATOM 776 NE2 GLN A 51 26.899 11.813 2.088 1.00 0.00 N ATOM 0 H GLN A 51 23.686 13.388 3.493 1.00 0.00 H new ATOM 0 HA GLN A 51 23.475 15.709 1.672 1.00 0.00 H new ATOM 0 HB2 GLN A 51 24.464 12.999 0.832 1.00 0.00 H new ATOM 0 HB3 GLN A 51 24.875 14.579 0.193 1.00 0.00 H new ATOM 0 HG2 GLN A 51 26.818 14.220 1.303 1.00 0.00 H new ATOM 0 HG3 GLN A 51 25.918 14.858 2.664 1.00 0.00 H new ATOM 0 HE21 GLN A 51 27.284 12.000 1.162 1.00 0.00 H new ATOM 0 HE22 GLN A 51 27.073 10.916 2.541 1.00 0.00 H new ATOM 785 N ALA A 52 21.259 13.699 2.084 1.00 0.00 N ATOM 786 CA ALA A 52 19.991 13.124 1.664 1.00 0.00 C ATOM 787 C ALA A 52 19.002 13.174 2.815 1.00 0.00 C ATOM 788 O ALA A 52 19.368 13.554 3.926 1.00 0.00 O ATOM 789 CB ALA A 52 20.180 11.687 1.191 1.00 0.00 C ATOM 0 H ALA A 52 21.356 13.802 3.094 1.00 0.00 H new ATOM 0 HA ALA A 52 19.601 13.707 0.829 1.00 0.00 H new ATOM 0 HB1 ALA A 52 19.219 11.276 0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 52 20.871 11.669 0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 52 20.586 11.086 2.005 1.00 0.00 H new ATOM 795 N THR A 53 17.759 12.766 2.548 1.00 0.00 N ATOM 796 CA THR A 53 16.684 12.751 3.549 1.00 0.00 C ATOM 797 C THR A 53 16.523 14.107 4.241 1.00 0.00 C ATOM 798 O THR A 53 16.961 15.129 3.714 1.00 0.00 O ATOM 799 CB THR A 53 16.860 11.631 4.609 1.00 0.00 C ATOM 800 OG1 THR A 53 18.242 11.405 4.900 1.00 0.00 O ATOM 801 CG2 THR A 53 16.225 10.340 4.126 1.00 0.00 C ATOM 0 H THR A 53 17.466 12.435 1.629 1.00 0.00 H new ATOM 0 HA THR A 53 15.773 12.536 2.991 1.00 0.00 H new ATOM 0 HB THR A 53 16.363 11.959 5.522 1.00 0.00 H new ATOM 0 HG1 THR A 53 18.710 12.264 4.954 1.00 0.00 H new ATOM 0 HG21 THR A 53 16.357 9.565 4.881 1.00 0.00 H new ATOM 0 HG22 THR A 53 15.161 10.500 3.953 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.700 10.026 3.197 1.00 0.00 H new ATOM 809 N LYS A 54 15.881 14.095 5.416 1.00 0.00 N ATOM 810 CA LYS A 54 15.613 15.307 6.200 1.00 0.00 C ATOM 811 C LYS A 54 14.611 16.202 5.468 1.00 0.00 C ATOM 812 O LYS A 54 13.466 16.348 5.897 1.00 0.00 O ATOM 813 CB LYS A 54 16.904 16.081 6.511 1.00 0.00 C ATOM 814 CG LYS A 54 16.812 16.932 7.771 1.00 0.00 C ATOM 815 CD LYS A 54 17.773 18.110 7.723 1.00 0.00 C ATOM 816 CE LYS A 54 17.623 19.008 8.941 1.00 0.00 C ATOM 817 NZ LYS A 54 18.172 18.382 10.173 1.00 0.00 N ATOM 0 H LYS A 54 15.532 13.241 5.851 1.00 0.00 H new ATOM 0 HA LYS A 54 15.181 14.998 7.152 1.00 0.00 H new ATOM 0 HB2 LYS A 54 17.726 15.373 6.619 1.00 0.00 H new ATOM 0 HB3 LYS A 54 17.146 16.724 5.665 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.792 17.298 7.890 1.00 0.00 H new ATOM 0 HG3 LYS A 54 17.033 16.317 8.643 1.00 0.00 H new ATOM 0 HD2 LYS A 54 18.797 17.742 7.666 1.00 0.00 H new ATOM 0 HD3 LYS A 54 17.592 18.691 6.818 1.00 0.00 H new ATOM 0 HE2 LYS A 54 18.133 19.954 8.758 1.00 0.00 H new ATOM 0 HE3 LYS A 54 16.569 19.239 9.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 18.048 19.030 10.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 17.668 17.492 10.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 19.185 18.185 10.041 1.00 0.00 H new ATOM 831 N GLU A 55 15.042 16.772 4.351 1.00 0.00 N ATOM 832 CA GLU A 55 14.196 17.626 3.540 1.00 0.00 C ATOM 833 C GLU A 55 13.640 16.800 2.394 1.00 0.00 C ATOM 834 O GLU A 55 14.276 16.641 1.351 1.00 0.00 O ATOM 835 CB GLU A 55 14.977 18.841 3.013 1.00 0.00 C ATOM 836 CG GLU A 55 16.393 18.519 2.552 1.00 0.00 C ATOM 837 CD GLU A 55 16.794 19.286 1.308 1.00 0.00 C ATOM 838 OE1 GLU A 55 17.087 20.496 1.412 1.00 0.00 O ATOM 839 OE2 GLU A 55 16.824 18.685 0.215 1.00 0.00 O ATOM 0 H GLU A 55 15.987 16.654 3.985 1.00 0.00 H new ATOM 0 HA GLU A 55 13.378 18.013 4.147 1.00 0.00 H new ATOM 0 HB2 GLU A 55 14.427 19.280 2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.025 19.596 3.797 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.093 18.748 3.356 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.472 17.450 2.355 1.00 0.00 H new ATOM 846 N ILE A 56 12.464 16.237 2.607 1.00 0.00 N ATOM 847 CA ILE A 56 11.853 15.400 1.598 1.00 0.00 C ATOM 848 C ILE A 56 11.169 16.205 0.516 1.00 0.00 C ATOM 849 O ILE A 56 10.006 16.596 0.637 1.00 0.00 O ATOM 850 CB ILE A 56 10.842 14.409 2.183 1.00 0.00 C ATOM 851 CG1 ILE A 56 11.476 13.591 3.318 1.00 0.00 C ATOM 852 CG2 ILE A 56 10.343 13.493 1.074 1.00 0.00 C ATOM 853 CD1 ILE A 56 12.690 12.783 2.897 1.00 0.00 C ATOM 0 H ILE A 56 11.919 16.344 3.463 1.00 0.00 H new ATOM 0 HA ILE A 56 12.682 14.843 1.161 1.00 0.00 H new ATOM 0 HB ILE A 56 10.000 14.960 2.603 1.00 0.00 H new ATOM 0 HG12 ILE A 56 11.765 14.268 4.122 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.726 12.914 3.726 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.623 12.785 1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.864 14.089 0.297 1.00 0.00 H new ATOM 0 HG23 ILE A 56 11.184 12.948 0.646 1.00 0.00 H new ATOM 0 HD11 ILE A 56 13.078 12.235 3.756 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.405 12.079 2.115 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.460 13.454 2.517 1.00 0.00 H new ATOM 865 N LYS A 57 11.914 16.463 -0.530 1.00 0.00 N ATOM 866 CA LYS A 57 11.387 17.151 -1.680 1.00 0.00 C ATOM 867 C LYS A 57 10.875 16.070 -2.618 1.00 0.00 C ATOM 868 O LYS A 57 11.276 14.912 -2.467 1.00 0.00 O ATOM 869 CB LYS A 57 12.475 17.997 -2.349 1.00 0.00 C ATOM 870 CG LYS A 57 13.206 18.919 -1.387 1.00 0.00 C ATOM 871 CD LYS A 57 13.498 20.263 -2.032 1.00 0.00 C ATOM 872 CE LYS A 57 14.317 21.153 -1.114 1.00 0.00 C ATOM 873 NZ LYS A 57 15.776 20.901 -1.241 1.00 0.00 N ATOM 0 H LYS A 57 12.897 16.203 -0.608 1.00 0.00 H new ATOM 0 HA LYS A 57 10.588 17.839 -1.404 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.198 17.334 -2.824 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.023 18.595 -3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 57 12.603 19.066 -0.491 1.00 0.00 H new ATOM 0 HG3 LYS A 57 14.140 18.453 -1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.036 20.110 -2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.560 20.760 -2.281 1.00 0.00 H new ATOM 0 HE2 LYS A 57 14.109 22.198 -1.344 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.010 20.987 -0.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 16.294 21.519 -0.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 15.978 19.907 -1.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 16.079 21.101 -2.216 1.00 0.00 H new ATOM 887 N PRO A 58 9.963 16.384 -3.548 1.00 0.00 N ATOM 888 CA PRO A 58 9.439 15.388 -4.480 1.00 0.00 C ATOM 889 C PRO A 58 10.574 14.646 -5.177 1.00 0.00 C ATOM 890 O PRO A 58 11.293 15.213 -6.000 1.00 0.00 O ATOM 891 CB PRO A 58 8.615 16.217 -5.468 1.00 0.00 C ATOM 892 CG PRO A 58 8.231 17.438 -4.705 1.00 0.00 C ATOM 893 CD PRO A 58 9.367 17.712 -3.758 1.00 0.00 C ATOM 0 HA PRO A 58 8.846 14.615 -3.992 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.196 16.470 -6.355 1.00 0.00 H new ATOM 0 HB3 PRO A 58 7.736 15.670 -5.809 1.00 0.00 H new ATOM 0 HG2 PRO A 58 8.070 18.282 -5.376 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.299 17.281 -4.161 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.086 18.412 -4.184 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.015 18.147 -2.823 1.00 0.00 H new ATOM 901 N GLN A 59 10.750 13.382 -4.818 1.00 0.00 N ATOM 902 CA GLN A 59 11.824 12.571 -5.378 1.00 0.00 C ATOM 903 C GLN A 59 11.293 11.566 -6.386 1.00 0.00 C ATOM 904 O GLN A 59 10.320 10.869 -6.124 1.00 0.00 O ATOM 905 CB GLN A 59 12.586 11.856 -4.259 1.00 0.00 C ATOM 906 CG GLN A 59 13.576 12.758 -3.543 1.00 0.00 C ATOM 907 CD GLN A 59 13.818 12.344 -2.108 1.00 0.00 C ATOM 908 OE1 GLN A 59 14.707 11.543 -1.819 1.00 0.00 O ATOM 909 NE2 GLN A 59 13.034 12.898 -1.199 1.00 0.00 N ATOM 0 H GLN A 59 10.163 12.895 -4.141 1.00 0.00 H new ATOM 0 HA GLN A 59 12.509 13.237 -5.903 1.00 0.00 H new ATOM 0 HB2 GLN A 59 11.872 11.463 -3.535 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.118 11.002 -4.678 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.523 12.750 -4.083 1.00 0.00 H new ATOM 0 HG3 GLN A 59 13.206 13.783 -3.563 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.310 13.557 -1.484 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.154 12.666 -0.213 1.00 0.00 H new ATOM 918 N LYS A 60 11.934 11.525 -7.543 1.00 0.00 N ATOM 919 CA LYS A 60 11.554 10.628 -8.614 1.00 0.00 C ATOM 920 C LYS A 60 11.873 9.192 -8.239 1.00 0.00 C ATOM 921 O LYS A 60 12.847 8.927 -7.534 1.00 0.00 O ATOM 922 CB LYS A 60 12.289 11.014 -9.904 1.00 0.00 C ATOM 923 CG LYS A 60 11.630 10.491 -11.169 1.00 0.00 C ATOM 924 CD LYS A 60 11.449 11.600 -12.192 1.00 0.00 C ATOM 925 CE LYS A 60 10.551 11.160 -13.335 1.00 0.00 C ATOM 926 NZ LYS A 60 10.420 12.215 -14.376 1.00 0.00 N ATOM 0 H LYS A 60 12.735 12.117 -7.763 1.00 0.00 H new ATOM 0 HA LYS A 60 10.480 10.712 -8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.353 12.101 -9.962 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.310 10.636 -9.855 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.238 9.694 -11.596 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.661 10.056 -10.924 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.020 12.477 -11.708 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.421 11.897 -12.585 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.955 10.254 -13.786 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.564 10.910 -12.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.217 11.773 -15.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.643 12.858 -14.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.308 12.752 -14.439 1.00 0.00 H new ATOM 940 N LEU A 61 11.024 8.283 -8.686 1.00 0.00 N ATOM 941 CA LEU A 61 11.199 6.862 -8.421 1.00 0.00 C ATOM 942 C LEU A 61 12.569 6.360 -8.866 1.00 0.00 C ATOM 943 O LEU A 61 12.872 6.314 -10.058 1.00 0.00 O ATOM 944 CB LEU A 61 10.113 6.069 -9.126 1.00 0.00 C ATOM 945 CG LEU A 61 8.792 5.991 -8.381 1.00 0.00 C ATOM 946 CD1 LEU A 61 7.876 4.989 -9.052 1.00 0.00 C ATOM 947 CD2 LEU A 61 9.010 5.631 -6.922 1.00 0.00 C ATOM 0 H LEU A 61 10.197 8.506 -9.240 1.00 0.00 H new ATOM 0 HA LEU A 61 11.127 6.719 -7.343 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.936 6.514 -10.105 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.477 5.056 -9.298 1.00 0.00 H new ATOM 0 HG LEU A 61 8.319 6.972 -8.412 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.931 4.940 -8.511 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.689 5.298 -10.080 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.347 4.006 -9.049 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.048 5.582 -6.412 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.506 4.662 -6.856 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.633 6.390 -6.449 1.00 0.00 H new ATOM 959 N GLY A 62 13.381 5.974 -7.892 1.00 0.00 N ATOM 960 CA GLY A 62 14.718 5.485 -8.171 1.00 0.00 C ATOM 961 C GLY A 62 14.782 4.057 -8.704 1.00 0.00 C ATOM 962 O GLY A 62 15.591 3.264 -8.221 1.00 0.00 O ATOM 0 H GLY A 62 13.135 5.991 -6.902 1.00 0.00 H new ATOM 0 HA2 GLY A 62 15.188 6.149 -8.896 1.00 0.00 H new ATOM 0 HA3 GLY A 62 15.308 5.543 -7.257 1.00 0.00 H new ATOM 966 N GLU A 63 13.927 3.732 -9.683 1.00 0.00 N ATOM 967 CA GLU A 63 13.899 2.408 -10.342 1.00 0.00 C ATOM 968 C GLU A 63 13.454 1.253 -9.450 1.00 0.00 C ATOM 969 O GLU A 63 12.558 0.489 -9.808 1.00 0.00 O ATOM 970 CB GLU A 63 15.272 2.072 -10.913 1.00 0.00 C ATOM 971 CG GLU A 63 15.504 2.656 -12.284 1.00 0.00 C ATOM 972 CD GLU A 63 14.831 1.846 -13.374 1.00 0.00 C ATOM 973 OE1 GLU A 63 13.599 1.969 -13.536 1.00 0.00 O ATOM 974 OE2 GLU A 63 15.530 1.076 -14.066 1.00 0.00 O ATOM 0 H GLU A 63 13.229 4.381 -10.046 1.00 0.00 H new ATOM 0 HA GLU A 63 13.148 2.506 -11.126 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.041 2.440 -10.234 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.382 0.989 -10.963 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.128 3.679 -12.309 1.00 0.00 H new ATOM 0 HG3 GLU A 63 16.575 2.705 -12.479 1.00 0.00 H new ATOM 981 N ASP A 64 14.053 1.145 -8.284 1.00 0.00 N ATOM 982 CA ASP A 64 13.759 0.038 -7.366 1.00 0.00 C ATOM 983 C ASP A 64 12.481 0.324 -6.614 1.00 0.00 C ATOM 984 O ASP A 64 11.966 -0.492 -5.854 1.00 0.00 O ATOM 985 CB ASP A 64 14.920 -0.165 -6.386 1.00 0.00 C ATOM 986 CG ASP A 64 14.786 -1.443 -5.580 1.00 0.00 C ATOM 987 OD1 ASP A 64 14.552 -2.508 -6.186 1.00 0.00 O ATOM 988 OD2 ASP A 64 14.932 -1.388 -4.338 1.00 0.00 O ATOM 0 H ASP A 64 14.749 1.805 -7.938 1.00 0.00 H new ATOM 0 HA ASP A 64 13.633 -0.878 -7.944 1.00 0.00 H new ATOM 0 HB2 ASP A 64 15.859 -0.186 -6.940 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.970 0.686 -5.706 1.00 0.00 H new ATOM 993 N GLU A 65 11.964 1.489 -6.888 1.00 0.00 N ATOM 994 CA GLU A 65 10.769 1.983 -6.263 1.00 0.00 C ATOM 995 C GLU A 65 9.614 2.040 -7.257 1.00 0.00 C ATOM 996 O GLU A 65 8.550 2.572 -6.953 1.00 0.00 O ATOM 997 CB GLU A 65 11.109 3.362 -5.753 1.00 0.00 C ATOM 998 CG GLU A 65 11.880 3.347 -4.444 1.00 0.00 C ATOM 999 CD GLU A 65 11.076 3.865 -3.272 1.00 0.00 C ATOM 1000 OE1 GLU A 65 11.551 4.801 -2.594 1.00 0.00 O ATOM 1001 OE2 GLU A 65 9.975 3.344 -3.011 1.00 0.00 O ATOM 0 H GLU A 65 12.370 2.135 -7.566 1.00 0.00 H new ATOM 0 HA GLU A 65 10.445 1.328 -5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.697 3.885 -6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.188 3.929 -5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 65 12.203 2.328 -4.232 1.00 0.00 H new ATOM 0 HG3 GLU A 65 12.781 3.951 -4.554 1.00 0.00 H new ATOM 1008 N SER A 66 9.851 1.485 -8.443 1.00 0.00 N ATOM 1009 CA SER A 66 8.866 1.465 -9.523 1.00 0.00 C ATOM 1010 C SER A 66 7.472 1.063 -9.044 1.00 0.00 C ATOM 1011 O SER A 66 7.277 0.019 -8.418 1.00 0.00 O ATOM 1012 CB SER A 66 9.325 0.537 -10.641 1.00 0.00 C ATOM 1013 OG SER A 66 10.439 1.087 -11.323 1.00 0.00 O ATOM 0 H SER A 66 10.734 1.035 -8.684 1.00 0.00 H new ATOM 0 HA SER A 66 8.792 2.485 -9.901 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.590 -0.436 -10.227 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.507 0.373 -11.343 1.00 0.00 H new ATOM 0 HG SER A 66 11.263 0.673 -10.990 1.00 0.00 H new ATOM 1019 N ILE A 67 6.524 1.927 -9.359 1.00 0.00 N ATOM 1020 CA ILE A 67 5.126 1.761 -8.994 1.00 0.00 C ATOM 1021 C ILE A 67 4.322 1.178 -10.149 1.00 0.00 C ATOM 1022 O ILE A 67 4.630 1.466 -11.309 1.00 0.00 O ATOM 1023 CB ILE A 67 4.551 3.144 -8.632 1.00 0.00 C ATOM 1024 CG1 ILE A 67 5.206 3.639 -7.358 1.00 0.00 C ATOM 1025 CG2 ILE A 67 3.035 3.126 -8.486 1.00 0.00 C ATOM 1026 CD1 ILE A 67 4.825 5.047 -7.008 1.00 0.00 C ATOM 0 H ILE A 67 6.706 2.781 -9.886 1.00 0.00 H new ATOM 0 HA ILE A 67 5.060 1.075 -8.149 1.00 0.00 H new ATOM 0 HB ILE A 67 4.773 3.826 -9.453 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.930 2.979 -6.535 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.289 3.578 -7.466 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.682 4.125 -8.231 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.583 2.811 -9.426 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.754 2.429 -7.696 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.327 5.341 -6.086 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.125 5.716 -7.814 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.746 5.108 -6.869 1.00 0.00 H new ATOM 1038 N PRO A 68 3.305 0.327 -9.858 1.00 0.00 N ATOM 1039 CA PRO A 68 2.428 -0.238 -10.891 1.00 0.00 C ATOM 1040 C PRO A 68 1.962 0.845 -11.862 1.00 0.00 C ATOM 1041 O PRO A 68 1.358 1.841 -11.458 1.00 0.00 O ATOM 1042 CB PRO A 68 1.258 -0.795 -10.082 1.00 0.00 C ATOM 1043 CG PRO A 68 1.866 -1.183 -8.777 1.00 0.00 C ATOM 1044 CD PRO A 68 2.955 -0.176 -8.510 1.00 0.00 C ATOM 0 HA PRO A 68 2.917 -0.991 -11.508 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.474 -0.049 -9.950 1.00 0.00 H new ATOM 0 HB3 PRO A 68 0.802 -1.651 -10.579 1.00 0.00 H new ATOM 0 HG2 PRO A 68 1.121 -1.172 -7.981 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.272 -2.194 -8.821 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.607 0.627 -7.861 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.813 -0.635 -8.018 1.00 0.00 H new ATOM 1052 N GLU A 69 2.250 0.639 -13.138 1.00 0.00 N ATOM 1053 CA GLU A 69 1.933 1.603 -14.192 1.00 0.00 C ATOM 1054 C GLU A 69 0.450 1.982 -14.260 1.00 0.00 C ATOM 1055 O GLU A 69 0.100 3.024 -14.818 1.00 0.00 O ATOM 1056 CB GLU A 69 2.419 1.059 -15.534 1.00 0.00 C ATOM 1057 CG GLU A 69 3.931 0.884 -15.585 1.00 0.00 C ATOM 1058 CD GLU A 69 4.410 0.248 -16.871 1.00 0.00 C ATOM 1059 OE1 GLU A 69 4.763 -0.947 -16.854 1.00 0.00 O ATOM 1060 OE2 GLU A 69 4.444 0.945 -17.908 1.00 0.00 O ATOM 0 H GLU A 69 2.712 -0.204 -13.478 1.00 0.00 H new ATOM 0 HA GLU A 69 2.455 2.528 -13.948 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.940 0.099 -15.727 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.109 1.736 -16.330 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.408 1.857 -15.468 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.249 0.270 -14.742 1.00 0.00 H new ATOM 1067 N GLU A 70 -0.413 1.168 -13.678 1.00 0.00 N ATOM 1068 CA GLU A 70 -1.846 1.450 -13.686 1.00 0.00 C ATOM 1069 C GLU A 70 -2.226 2.453 -12.598 1.00 0.00 C ATOM 1070 O GLU A 70 -3.246 3.134 -12.702 1.00 0.00 O ATOM 1071 CB GLU A 70 -2.656 0.166 -13.499 1.00 0.00 C ATOM 1072 CG GLU A 70 -1.896 -0.950 -12.799 1.00 0.00 C ATOM 1073 CD GLU A 70 -1.186 -1.857 -13.782 1.00 0.00 C ATOM 1074 OE1 GLU A 70 0.053 -1.772 -13.885 1.00 0.00 O ATOM 1075 OE2 GLU A 70 -1.867 -2.645 -14.471 1.00 0.00 O ATOM 0 H GLU A 70 -0.152 0.309 -13.194 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.081 1.885 -14.658 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.554 0.396 -12.925 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.984 -0.189 -14.476 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.167 -0.518 -12.113 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.589 -1.539 -12.198 1.00 0.00 H new ATOM 1082 N ILE A 71 -1.401 2.556 -11.563 1.00 0.00 N ATOM 1083 CA ILE A 71 -1.687 3.463 -10.460 1.00 0.00 C ATOM 1084 C ILE A 71 -0.694 4.628 -10.427 1.00 0.00 C ATOM 1085 O ILE A 71 -0.979 5.686 -9.864 1.00 0.00 O ATOM 1086 CB ILE A 71 -1.669 2.716 -9.108 1.00 0.00 C ATOM 1087 CG1 ILE A 71 -0.259 2.235 -8.768 1.00 0.00 C ATOM 1088 CG2 ILE A 71 -2.628 1.537 -9.147 1.00 0.00 C ATOM 1089 CD1 ILE A 71 -0.148 1.543 -7.425 1.00 0.00 C ATOM 0 H ILE A 71 -0.535 2.027 -11.465 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.687 3.866 -10.623 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.990 3.410 -8.332 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.077 1.550 -9.546 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.418 3.089 -8.781 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.606 1.019 -8.188 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.638 1.896 -9.343 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.328 0.850 -9.938 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.884 1.233 -7.260 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.451 2.231 -6.635 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.797 0.667 -7.412 1.00 0.00 H new ATOM 1101 N ILE A 72 0.458 4.425 -11.062 1.00 0.00 N ATOM 1102 CA ILE A 72 1.534 5.420 -11.134 1.00 0.00 C ATOM 1103 C ILE A 72 1.061 6.734 -11.744 1.00 0.00 C ATOM 1104 O ILE A 72 1.648 7.787 -11.512 1.00 0.00 O ATOM 1105 CB ILE A 72 2.693 4.849 -11.969 1.00 0.00 C ATOM 1106 CG1 ILE A 72 4.028 5.511 -11.606 1.00 0.00 C ATOM 1107 CG2 ILE A 72 2.406 4.952 -13.465 1.00 0.00 C ATOM 1108 CD1 ILE A 72 4.479 6.587 -12.576 1.00 0.00 C ATOM 0 H ILE A 72 0.677 3.555 -11.548 1.00 0.00 H new ATOM 0 HA ILE A 72 1.864 5.633 -10.117 1.00 0.00 H new ATOM 0 HB ILE A 72 2.779 3.790 -11.725 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.944 5.948 -10.611 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.798 4.742 -11.552 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.245 4.540 -14.026 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.501 4.392 -13.701 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.267 5.998 -13.738 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.431 7.001 -12.243 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.599 6.154 -13.569 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.732 7.380 -12.613 1.00 0.00 H new ATOM 1120 N ASN A 73 -0.004 6.670 -12.511 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.528 7.855 -13.153 1.00 0.00 C ATOM 1122 C ASN A 73 -1.816 8.291 -12.477 1.00 0.00 C ATOM 1123 O ASN A 73 -2.548 9.143 -12.987 1.00 0.00 O ATOM 1124 CB ASN A 73 -0.769 7.568 -14.633 1.00 0.00 C ATOM 1125 CG ASN A 73 -0.145 8.603 -15.548 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -0.247 9.805 -15.307 1.00 0.00 O ATOM 1127 ND2 ASN A 73 0.512 8.143 -16.604 1.00 0.00 N ATOM 0 H ASN A 73 -0.523 5.814 -12.705 1.00 0.00 H new ATOM 0 HA ASN A 73 0.196 8.665 -13.063 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.365 6.585 -14.877 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.842 7.527 -14.819 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.956 8.794 -17.252 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.574 7.138 -16.768 1.00 0.00 H new ATOM 1134 N GLY A 74 -2.081 7.716 -11.311 1.00 0.00 N ATOM 1135 CA GLY A 74 -3.305 8.055 -10.594 1.00 0.00 C ATOM 1136 C GLY A 74 -3.088 8.474 -9.147 1.00 0.00 C ATOM 1137 O GLY A 74 -4.005 8.349 -8.337 1.00 0.00 O ATOM 0 H GLY A 74 -1.483 7.030 -10.850 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.809 8.864 -11.122 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -3.974 7.195 -10.614 1.00 0.00 H new ATOM 1141 N LYS A 75 -1.895 8.997 -8.843 1.00 0.00 N ATOM 1142 CA LYS A 75 -1.528 9.438 -7.485 1.00 0.00 C ATOM 1143 C LYS A 75 -1.575 8.261 -6.518 1.00 0.00 C ATOM 1144 O LYS A 75 -2.640 7.748 -6.174 1.00 0.00 O ATOM 1145 CB LYS A 75 -2.422 10.587 -7.008 1.00 0.00 C ATOM 1146 CG LYS A 75 -1.845 11.373 -5.838 1.00 0.00 C ATOM 1147 CD LYS A 75 -1.297 12.723 -6.284 1.00 0.00 C ATOM 1148 CE LYS A 75 -0.516 13.402 -5.168 1.00 0.00 C ATOM 1149 NZ LYS A 75 0.280 14.565 -5.654 1.00 0.00 N ATOM 0 H LYS A 75 -1.153 9.128 -9.530 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.507 9.818 -7.514 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.596 11.269 -7.841 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.392 10.183 -6.719 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.618 11.525 -5.084 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.050 10.795 -5.367 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.651 12.586 -7.151 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.120 13.366 -6.597 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.209 13.737 -4.396 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.152 12.677 -4.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.112 14.695 -5.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.591 14.389 -6.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.307 15.423 -5.627 1.00 0.00 H new ATOM 1163 N CYS A 76 -0.412 7.842 -6.066 1.00 0.00 N ATOM 1164 CA CYS A 76 -0.335 6.695 -5.180 1.00 0.00 C ATOM 1165 C CYS A 76 0.044 7.109 -3.774 1.00 0.00 C ATOM 1166 O CYS A 76 0.352 8.271 -3.514 1.00 0.00 O ATOM 1167 CB CYS A 76 0.681 5.680 -5.701 1.00 0.00 C ATOM 1168 SG CYS A 76 0.663 5.459 -7.493 1.00 0.00 S ATOM 0 H CYS A 76 0.485 8.271 -6.293 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.324 6.237 -5.154 1.00 0.00 H new ATOM 0 HB2 CYS A 76 1.679 5.994 -5.396 1.00 0.00 H new ATOM 0 HB3 CYS A 76 0.491 4.717 -5.226 1.00 0.00 H new ATOM 0 HG CYS A 76 1.355 6.406 -8.054 1.00 0.00 H new ATOM 1174 N PHE A 77 -0.005 6.151 -2.873 1.00 0.00 N ATOM 1175 CA PHE A 77 0.337 6.374 -1.489 1.00 0.00 C ATOM 1176 C PHE A 77 1.048 5.158 -0.939 1.00 0.00 C ATOM 1177 O PHE A 77 0.471 4.074 -0.839 1.00 0.00 O ATOM 1178 CB PHE A 77 -0.917 6.676 -0.668 1.00 0.00 C ATOM 1179 CG PHE A 77 -1.614 7.922 -1.114 1.00 0.00 C ATOM 1180 CD1 PHE A 77 -1.049 9.159 -0.869 1.00 0.00 C ATOM 1181 CD2 PHE A 77 -2.814 7.860 -1.796 1.00 0.00 C ATOM 1182 CE1 PHE A 77 -1.663 10.314 -1.299 1.00 0.00 C ATOM 1183 CE2 PHE A 77 -3.440 9.014 -2.222 1.00 0.00 C ATOM 1184 CZ PHE A 77 -2.864 10.243 -1.976 1.00 0.00 C ATOM 0 H PHE A 77 -0.285 5.193 -3.083 1.00 0.00 H new ATOM 0 HA PHE A 77 1.001 7.236 -1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.605 5.834 -0.741 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.643 6.774 0.383 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.113 9.221 -0.333 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.266 6.900 -1.998 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.206 11.274 -1.107 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -4.381 8.955 -2.748 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.351 11.147 -2.312 1.00 0.00 H new ATOM 1194 N PHE A 78 2.315 5.331 -0.617 1.00 0.00 N ATOM 1195 CA PHE A 78 3.101 4.254 -0.063 1.00 0.00 C ATOM 1196 C PHE A 78 2.826 4.195 1.414 1.00 0.00 C ATOM 1197 O PHE A 78 3.356 4.987 2.200 1.00 0.00 O ATOM 1198 CB PHE A 78 4.593 4.453 -0.315 1.00 0.00 C ATOM 1199 CG PHE A 78 5.421 3.242 0.010 1.00 0.00 C ATOM 1200 CD1 PHE A 78 5.457 2.159 -0.851 1.00 0.00 C ATOM 1201 CD2 PHE A 78 6.168 3.192 1.173 1.00 0.00 C ATOM 1202 CE1 PHE A 78 6.226 1.050 -0.562 1.00 0.00 C ATOM 1203 CE2 PHE A 78 6.938 2.086 1.470 1.00 0.00 C ATOM 1204 CZ PHE A 78 6.966 1.013 0.600 1.00 0.00 C ATOM 0 H PHE A 78 2.820 6.210 -0.731 1.00 0.00 H new ATOM 0 HA PHE A 78 2.821 3.319 -0.547 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.745 4.717 -1.362 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.945 5.295 0.281 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.876 2.182 -1.761 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.148 4.028 1.856 1.00 0.00 H new ATOM 0 HE1 PHE A 78 6.248 0.213 -1.245 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.518 2.059 2.381 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.567 0.146 0.830 1.00 0.00 H new ATOM 1214 N ILE A 79 1.956 3.288 1.774 1.00 0.00 N ATOM 1215 CA ILE A 79 1.564 3.118 3.149 1.00 0.00 C ATOM 1216 C ILE A 79 2.231 1.932 3.764 1.00 0.00 C ATOM 1217 O ILE A 79 2.813 1.073 3.103 1.00 0.00 O ATOM 1218 CB ILE A 79 0.053 2.896 3.301 1.00 0.00 C ATOM 1219 CG1 ILE A 79 -0.285 1.464 2.869 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.736 3.926 2.506 1.00 0.00 C ATOM 1221 CD1 ILE A 79 -1.650 1.307 2.259 1.00 0.00 C ATOM 0 H ILE A 79 1.500 2.648 1.124 1.00 0.00 H new ATOM 0 HA ILE A 79 1.862 4.040 3.648 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.231 3.026 4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.462 1.128 2.150 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.210 0.808 3.736 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.803 3.744 2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.494 4.926 2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.477 3.847 1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.807 0.265 1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.408 1.609 2.981 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.726 1.934 1.370 1.00 0.00 H new ATOM 1233 N HIS A 80 2.109 1.923 5.047 1.00 0.00 N ATOM 1234 CA HIS A 80 2.587 0.875 5.864 1.00 0.00 C ATOM 1235 C HIS A 80 1.422 0.541 6.777 1.00 0.00 C ATOM 1236 O HIS A 80 1.077 1.319 7.672 1.00 0.00 O ATOM 1237 CB HIS A 80 3.846 1.351 6.585 1.00 0.00 C ATOM 1238 CG HIS A 80 4.162 0.625 7.839 1.00 0.00 C ATOM 1239 ND1 HIS A 80 5.055 -0.416 7.912 1.00 0.00 N ATOM 1240 CD2 HIS A 80 3.709 0.829 9.083 1.00 0.00 C ATOM 1241 CE1 HIS A 80 5.139 -0.826 9.165 1.00 0.00 C ATOM 1242 NE2 HIS A 80 4.330 -0.082 9.899 1.00 0.00 N ATOM 0 H HIS A 80 1.657 2.674 5.569 1.00 0.00 H new ATOM 0 HA HIS A 80 2.891 -0.025 5.329 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.693 1.258 5.905 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.737 2.411 6.814 1.00 0.00 H new ATOM 0 HD1 HIS A 80 5.571 -0.809 7.125 1.00 0.00 H new ATOM 0 HD2 HIS A 80 2.988 1.573 9.387 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.762 -1.631 9.527 1.00 0.00 H new ATOM 1251 N TYR A 81 0.748 -0.555 6.449 1.00 0.00 N ATOM 1252 CA TYR A 81 -0.432 -0.996 7.179 1.00 0.00 C ATOM 1253 C TYR A 81 -0.222 -0.948 8.684 1.00 0.00 C ATOM 1254 O TYR A 81 0.694 -1.573 9.222 1.00 0.00 O ATOM 1255 CB TYR A 81 -0.842 -2.399 6.729 1.00 0.00 C ATOM 1256 CG TYR A 81 -1.530 -2.409 5.384 1.00 0.00 C ATOM 1257 CD1 TYR A 81 -2.881 -2.102 5.275 1.00 0.00 C ATOM 1258 CD2 TYR A 81 -0.833 -2.708 4.223 1.00 0.00 C ATOM 1259 CE1 TYR A 81 -3.515 -2.097 4.051 1.00 0.00 C ATOM 1260 CE2 TYR A 81 -1.463 -2.707 2.992 1.00 0.00 C ATOM 1261 CZ TYR A 81 -2.804 -2.396 2.913 1.00 0.00 C ATOM 1262 OH TYR A 81 -3.436 -2.384 1.693 1.00 0.00 O ATOM 0 H TYR A 81 1.005 -1.162 5.670 1.00 0.00 H new ATOM 0 HA TYR A 81 -1.241 -0.303 6.948 1.00 0.00 H new ATOM 0 HB2 TYR A 81 0.043 -3.033 6.683 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.507 -2.834 7.475 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -3.444 -1.863 6.165 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.219 -2.946 4.281 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.566 -1.859 3.986 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.908 -2.948 2.098 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.504 -3.300 1.351 1.00 0.00 H new ATOM 1272 N GLN A 82 -1.069 -0.174 9.345 1.00 0.00 N ATOM 1273 CA GLN A 82 -0.996 -0.020 10.787 1.00 0.00 C ATOM 1274 C GLN A 82 -1.315 -1.342 11.465 1.00 0.00 C ATOM 1275 O GLN A 82 -2.332 -1.971 11.175 1.00 0.00 O ATOM 1276 CB GLN A 82 -1.959 1.065 11.267 1.00 0.00 C ATOM 1277 CG GLN A 82 -1.670 2.440 10.679 1.00 0.00 C ATOM 1278 CD GLN A 82 -2.363 3.559 11.429 1.00 0.00 C ATOM 1279 OE1 GLN A 82 -1.855 4.677 11.507 1.00 0.00 O ATOM 1280 NE2 GLN A 82 -3.523 3.269 11.992 1.00 0.00 N ATOM 0 H GLN A 82 -1.818 0.359 8.902 1.00 0.00 H new ATOM 0 HA GLN A 82 0.017 0.283 11.052 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.978 0.775 11.009 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.911 1.127 12.354 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.594 2.615 10.688 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.987 2.458 9.636 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.912 2.330 11.905 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -4.030 3.984 12.514 1.00 0.00 H new ATOM 1289 N GLY A 83 -0.431 -1.766 12.348 1.00 0.00 N ATOM 1290 CA GLY A 83 -0.623 -3.018 13.043 1.00 0.00 C ATOM 1291 C GLY A 83 0.196 -4.123 12.420 1.00 0.00 C ATOM 1292 O GLY A 83 0.360 -5.195 13.004 1.00 0.00 O ATOM 0 H GLY A 83 0.421 -1.264 12.598 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.344 -2.902 14.090 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.679 -3.289 13.023 1.00 0.00 H new ATOM 1296 N TRP A 84 0.722 -3.852 11.235 1.00 0.00 N ATOM 1297 CA TRP A 84 1.534 -4.818 10.521 1.00 0.00 C ATOM 1298 C TRP A 84 2.994 -4.386 10.512 1.00 0.00 C ATOM 1299 O TRP A 84 3.359 -3.392 11.140 1.00 0.00 O ATOM 1300 CB TRP A 84 1.028 -4.990 9.089 1.00 0.00 C ATOM 1301 CG TRP A 84 -0.198 -5.841 8.991 1.00 0.00 C ATOM 1302 CD1 TRP A 84 -1.438 -5.447 8.579 1.00 0.00 C ATOM 1303 CD2 TRP A 84 -0.302 -7.230 9.317 1.00 0.00 C ATOM 1304 NE1 TRP A 84 -2.306 -6.510 8.622 1.00 0.00 N ATOM 1305 CE2 TRP A 84 -1.633 -7.617 9.073 1.00 0.00 C ATOM 1306 CE3 TRP A 84 0.603 -8.186 9.788 1.00 0.00 C ATOM 1307 CZ2 TRP A 84 -2.081 -8.919 9.287 1.00 0.00 C ATOM 1308 CZ3 TRP A 84 0.158 -9.478 9.999 1.00 0.00 C ATOM 1309 CH2 TRP A 84 -1.172 -9.834 9.748 1.00 0.00 C ATOM 0 H TRP A 84 0.598 -2.965 10.748 1.00 0.00 H new ATOM 0 HA TRP A 84 1.456 -5.776 11.036 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.815 -4.008 8.666 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.818 -5.433 8.483 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -1.698 -4.447 8.265 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -3.292 -6.481 8.361 1.00 0.00 H new ATOM 0 HE3 TRP A 84 1.631 -7.920 9.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -3.107 -9.196 9.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 0.848 -10.225 10.363 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -1.488 -10.852 9.922 1.00 0.00 H new ATOM 1320 N LYS A 85 3.823 -5.131 9.798 1.00 0.00 N ATOM 1321 CA LYS A 85 5.245 -4.822 9.716 1.00 0.00 C ATOM 1322 C LYS A 85 5.592 -4.207 8.357 1.00 0.00 C ATOM 1323 O LYS A 85 4.723 -4.042 7.503 1.00 0.00 O ATOM 1324 CB LYS A 85 6.085 -6.075 9.983 1.00 0.00 C ATOM 1325 CG LYS A 85 5.381 -7.381 9.646 1.00 0.00 C ATOM 1326 CD LYS A 85 5.676 -8.451 10.684 1.00 0.00 C ATOM 1327 CE LYS A 85 4.526 -8.609 11.666 1.00 0.00 C ATOM 1328 NZ LYS A 85 4.914 -9.394 12.870 1.00 0.00 N ATOM 0 H LYS A 85 3.538 -5.954 9.267 1.00 0.00 H new ATOM 0 HA LYS A 85 5.480 -4.086 10.485 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.006 -6.012 9.403 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.371 -6.090 11.035 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.306 -7.213 9.589 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.702 -7.726 8.663 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.862 -9.402 10.185 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.585 -8.192 11.226 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.177 -7.624 11.975 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.691 -9.101 11.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.098 -9.475 13.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.222 -10.344 12.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.693 -8.912 13.362 1.00 0.00 H new ATOM 1342 N SER A 86 6.870 -3.890 8.162 1.00 0.00 N ATOM 1343 CA SER A 86 7.357 -3.266 6.930 1.00 0.00 C ATOM 1344 C SER A 86 7.157 -4.140 5.686 1.00 0.00 C ATOM 1345 O SER A 86 7.314 -3.670 4.562 1.00 0.00 O ATOM 1346 CB SER A 86 8.834 -2.930 7.098 1.00 0.00 C ATOM 1347 OG SER A 86 9.311 -3.415 8.344 1.00 0.00 O ATOM 0 H SER A 86 7.600 -4.058 8.854 1.00 0.00 H new ATOM 0 HA SER A 86 6.768 -2.363 6.767 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.409 -3.371 6.284 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.977 -1.851 7.041 1.00 0.00 H new ATOM 0 HG SER A 86 9.361 -4.393 8.317 1.00 0.00 H new ATOM 1353 N SER A 87 6.818 -5.408 5.870 1.00 0.00 N ATOM 1354 CA SER A 87 6.601 -6.290 4.731 1.00 0.00 C ATOM 1355 C SER A 87 5.233 -6.010 4.112 1.00 0.00 C ATOM 1356 O SER A 87 4.891 -6.543 3.056 1.00 0.00 O ATOM 1357 CB SER A 87 6.717 -7.762 5.146 1.00 0.00 C ATOM 1358 OG SER A 87 6.778 -8.617 4.012 1.00 0.00 O ATOM 0 H SER A 87 6.689 -5.845 6.783 1.00 0.00 H new ATOM 0 HA SER A 87 7.373 -6.093 3.987 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.609 -7.900 5.756 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.862 -8.036 5.764 1.00 0.00 H new ATOM 0 HG SER A 87 6.175 -8.281 3.316 1.00 0.00 H new ATOM 1364 N TRP A 88 4.465 -5.150 4.772 1.00 0.00 N ATOM 1365 CA TRP A 88 3.142 -4.785 4.296 1.00 0.00 C ATOM 1366 C TRP A 88 3.175 -3.409 3.644 1.00 0.00 C ATOM 1367 O TRP A 88 2.137 -2.837 3.318 1.00 0.00 O ATOM 1368 CB TRP A 88 2.132 -4.824 5.442 1.00 0.00 C ATOM 1369 CG TRP A 88 1.615 -6.204 5.707 1.00 0.00 C ATOM 1370 CD1 TRP A 88 2.249 -7.200 6.391 1.00 0.00 C ATOM 1371 CD2 TRP A 88 0.360 -6.742 5.280 1.00 0.00 C ATOM 1372 NE1 TRP A 88 1.463 -8.324 6.418 1.00 0.00 N ATOM 1373 CE2 TRP A 88 0.298 -8.067 5.743 1.00 0.00 C ATOM 1374 CE3 TRP A 88 -0.719 -6.230 4.554 1.00 0.00 C ATOM 1375 CZ2 TRP A 88 -0.799 -8.888 5.502 1.00 0.00 C ATOM 1376 CZ3 TRP A 88 -1.808 -7.044 4.315 1.00 0.00 C ATOM 1377 CH2 TRP A 88 -1.843 -8.360 4.787 1.00 0.00 C ATOM 0 H TRP A 88 4.740 -4.693 5.641 1.00 0.00 H new ATOM 0 HA TRP A 88 2.828 -5.510 3.545 1.00 0.00 H new ATOM 0 HB2 TRP A 88 2.599 -4.435 6.347 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.296 -4.166 5.207 1.00 0.00 H new ATOM 0 HD1 TRP A 88 3.226 -7.116 6.844 1.00 0.00 H new ATOM 0 HE1 TRP A 88 1.706 -9.207 6.867 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -0.701 -5.215 4.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -0.827 -9.905 5.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -2.647 -6.658 3.754 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -2.709 -8.972 4.584 1.00 0.00 H new ATOM 1388 N ASP A 89 4.381 -2.882 3.480 1.00 0.00 N ATOM 1389 CA ASP A 89 4.571 -1.587 2.840 1.00 0.00 C ATOM 1390 C ASP A 89 4.195 -1.718 1.367 1.00 0.00 C ATOM 1391 O ASP A 89 4.893 -2.394 0.600 1.00 0.00 O ATOM 1392 CB ASP A 89 6.030 -1.131 2.972 1.00 0.00 C ATOM 1393 CG ASP A 89 6.391 -0.602 4.355 1.00 0.00 C ATOM 1394 OD1 ASP A 89 5.796 -1.062 5.362 1.00 0.00 O ATOM 1395 OD2 ASP A 89 7.300 0.254 4.442 1.00 0.00 O ATOM 0 H ASP A 89 5.245 -3.333 3.782 1.00 0.00 H new ATOM 0 HA ASP A 89 3.940 -0.842 3.324 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.685 -1.969 2.732 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.225 -0.353 2.234 1.00 0.00 H new ATOM 1400 N GLU A 90 3.094 -1.097 0.971 1.00 0.00 N ATOM 1401 CA GLU A 90 2.624 -1.194 -0.405 1.00 0.00 C ATOM 1402 C GLU A 90 2.162 0.160 -0.940 1.00 0.00 C ATOM 1403 O GLU A 90 1.932 1.104 -0.181 1.00 0.00 O ATOM 1404 CB GLU A 90 1.465 -2.198 -0.487 1.00 0.00 C ATOM 1405 CG GLU A 90 1.340 -2.885 -1.842 1.00 0.00 C ATOM 1406 CD GLU A 90 -0.096 -3.189 -2.229 1.00 0.00 C ATOM 1407 OE1 GLU A 90 -0.427 -3.088 -3.428 1.00 0.00 O ATOM 1408 OE2 GLU A 90 -0.903 -3.534 -1.342 1.00 0.00 O ATOM 0 H GLU A 90 2.511 -0.522 1.579 1.00 0.00 H new ATOM 0 HA GLU A 90 3.458 -1.534 -1.019 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.599 -2.957 0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.532 -1.680 -0.265 1.00 0.00 H new ATOM 0 HG2 GLU A 90 1.789 -2.251 -2.606 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.909 -3.814 -1.825 1.00 0.00 H new ATOM 1415 N TRP A 91 2.036 0.239 -2.257 1.00 0.00 N ATOM 1416 CA TRP A 91 1.581 1.447 -2.924 1.00 0.00 C ATOM 1417 C TRP A 91 0.093 1.344 -3.220 1.00 0.00 C ATOM 1418 O TRP A 91 -0.315 0.562 -4.078 1.00 0.00 O ATOM 1419 CB TRP A 91 2.309 1.650 -4.257 1.00 0.00 C ATOM 1420 CG TRP A 91 3.701 2.200 -4.160 1.00 0.00 C ATOM 1421 CD1 TRP A 91 4.865 1.506 -4.321 1.00 0.00 C ATOM 1422 CD2 TRP A 91 4.078 3.564 -3.921 1.00 0.00 C ATOM 1423 NE1 TRP A 91 5.940 2.353 -4.203 1.00 0.00 N ATOM 1424 CE2 TRP A 91 5.483 3.621 -3.954 1.00 0.00 C ATOM 1425 CE3 TRP A 91 3.363 4.745 -3.687 1.00 0.00 C ATOM 1426 CZ2 TRP A 91 6.186 4.808 -3.763 1.00 0.00 C ATOM 1427 CZ3 TRP A 91 4.066 5.923 -3.492 1.00 0.00 C ATOM 1428 CH2 TRP A 91 5.464 5.945 -3.534 1.00 0.00 C ATOM 0 H TRP A 91 2.246 -0.532 -2.891 1.00 0.00 H new ATOM 0 HA TRP A 91 1.789 2.287 -2.261 1.00 0.00 H new ATOM 0 HB2 TRP A 91 2.352 0.693 -4.776 1.00 0.00 H new ATOM 0 HB3 TRP A 91 1.715 2.322 -4.876 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.931 0.445 -4.513 1.00 0.00 H new ATOM 0 HE1 TRP A 91 6.920 2.082 -4.287 1.00 0.00 H new ATOM 0 HE3 TRP A 91 2.283 4.738 -3.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 7.265 4.829 -3.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 3.526 6.839 -3.305 1.00 0.00 H new ATOM 0 HH2 TRP A 91 5.983 6.880 -3.382 1.00 0.00 H new ATOM 1439 N VAL A 92 -0.721 2.108 -2.517 1.00 0.00 N ATOM 1440 CA VAL A 92 -2.151 2.093 -2.773 1.00 0.00 C ATOM 1441 C VAL A 92 -2.527 3.335 -3.556 1.00 0.00 C ATOM 1442 O VAL A 92 -1.822 4.337 -3.505 1.00 0.00 O ATOM 1443 CB VAL A 92 -2.991 2.015 -1.479 1.00 0.00 C ATOM 1444 CG1 VAL A 92 -2.815 0.652 -0.825 1.00 0.00 C ATOM 1445 CG2 VAL A 92 -2.617 3.140 -0.521 1.00 0.00 C ATOM 0 H VAL A 92 -0.423 2.740 -1.773 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.373 1.193 -3.347 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.043 2.139 -1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.411 0.606 0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.144 -0.127 -1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.764 0.499 -0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.222 3.064 0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.562 3.060 -0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.800 4.102 -1.000 1.00 0.00 H new ATOM 1455 N GLY A 93 -3.616 3.270 -4.290 1.00 0.00 N ATOM 1456 CA GLY A 93 -4.027 4.410 -5.073 1.00 0.00 C ATOM 1457 C GLY A 93 -5.385 4.901 -4.653 1.00 0.00 C ATOM 1458 O GLY A 93 -6.050 4.242 -3.864 1.00 0.00 O ATOM 0 H GLY A 93 -4.223 2.453 -4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.298 5.212 -4.962 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.046 4.141 -6.129 1.00 0.00 H new ATOM 1462 N TYR A 94 -5.790 6.051 -5.176 1.00 0.00 N ATOM 1463 CA TYR A 94 -7.100 6.664 -4.893 1.00 0.00 C ATOM 1464 C TYR A 94 -8.270 5.724 -5.180 1.00 0.00 C ATOM 1465 O TYR A 94 -9.430 6.047 -4.928 1.00 0.00 O ATOM 1466 CB TYR A 94 -7.259 7.909 -5.752 1.00 0.00 C ATOM 1467 CG TYR A 94 -6.728 9.150 -5.104 1.00 0.00 C ATOM 1468 CD1 TYR A 94 -5.495 9.653 -5.463 1.00 0.00 C ATOM 1469 CD2 TYR A 94 -7.455 9.809 -4.129 1.00 0.00 C ATOM 1470 CE1 TYR A 94 -4.997 10.789 -4.874 1.00 0.00 C ATOM 1471 CE2 TYR A 94 -6.966 10.948 -3.533 1.00 0.00 C ATOM 1472 CZ TYR A 94 -5.731 11.434 -3.906 1.00 0.00 C ATOM 1473 OH TYR A 94 -5.231 12.578 -3.325 1.00 0.00 O ATOM 0 H TYR A 94 -5.217 6.599 -5.818 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.121 6.903 -3.830 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.745 7.755 -6.701 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.315 8.051 -5.981 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.913 9.146 -6.218 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.419 9.424 -3.832 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.033 11.175 -5.170 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.546 11.458 -2.778 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.972 13.133 -3.004 1.00 0.00 H new ATOM 1483 N ASP A 95 -7.941 4.577 -5.720 1.00 0.00 N ATOM 1484 CA ASP A 95 -8.925 3.564 -6.084 1.00 0.00 C ATOM 1485 C ASP A 95 -9.043 2.517 -4.986 1.00 0.00 C ATOM 1486 O ASP A 95 -10.085 1.881 -4.827 1.00 0.00 O ATOM 1487 CB ASP A 95 -8.528 2.890 -7.402 1.00 0.00 C ATOM 1488 CG ASP A 95 -7.419 1.865 -7.227 1.00 0.00 C ATOM 1489 OD1 ASP A 95 -7.654 0.671 -7.529 1.00 0.00 O ATOM 1490 OD2 ASP A 95 -6.321 2.253 -6.773 1.00 0.00 O ATOM 0 H ASP A 95 -6.978 4.309 -5.925 1.00 0.00 H new ATOM 0 HA ASP A 95 -9.891 4.053 -6.209 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -9.402 2.403 -7.834 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.204 3.652 -8.112 1.00 0.00 H new ATOM 1495 N ARG A 96 -7.974 2.352 -4.223 1.00 0.00 N ATOM 1496 CA ARG A 96 -7.951 1.380 -3.143 1.00 0.00 C ATOM 1497 C ARG A 96 -7.937 2.090 -1.809 1.00 0.00 C ATOM 1498 O ARG A 96 -8.390 1.559 -0.803 1.00 0.00 O ATOM 1499 CB ARG A 96 -6.716 0.481 -3.251 1.00 0.00 C ATOM 1500 CG ARG A 96 -6.884 -0.683 -4.213 1.00 0.00 C ATOM 1501 CD ARG A 96 -5.590 -1.468 -4.378 1.00 0.00 C ATOM 1502 NE ARG A 96 -5.106 -2.022 -3.110 1.00 0.00 N ATOM 1503 CZ ARG A 96 -3.830 -2.344 -2.875 1.00 0.00 C ATOM 1504 NH1 ARG A 96 -2.920 -2.217 -3.832 1.00 0.00 N ATOM 1505 NH2 ARG A 96 -3.462 -2.808 -1.690 1.00 0.00 N ATOM 0 H ARG A 96 -7.109 2.881 -4.333 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.846 0.763 -3.220 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.866 1.084 -3.571 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.475 0.091 -2.262 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.668 -1.346 -3.848 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.209 -0.309 -5.184 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.749 -2.279 -5.089 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -4.825 -0.817 -4.802 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.783 -2.171 -2.362 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.193 -1.872 -4.752 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.948 -2.464 -3.647 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.154 -2.922 -0.949 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.487 -3.052 -1.518 1.00 0.00 H new ATOM 1519 N ILE A 97 -7.415 3.296 -1.815 1.00 0.00 N ATOM 1520 CA ILE A 97 -7.311 4.084 -0.610 1.00 0.00 C ATOM 1521 C ILE A 97 -8.540 4.965 -0.403 1.00 0.00 C ATOM 1522 O ILE A 97 -9.111 5.511 -1.347 1.00 0.00 O ATOM 1523 CB ILE A 97 -6.030 4.948 -0.619 1.00 0.00 C ATOM 1524 CG1 ILE A 97 -5.738 5.472 0.765 1.00 0.00 C ATOM 1525 CG2 ILE A 97 -6.156 6.112 -1.565 1.00 0.00 C ATOM 1526 CD1 ILE A 97 -4.388 6.144 0.885 1.00 0.00 C ATOM 0 H ILE A 97 -7.053 3.755 -2.651 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.254 3.385 0.224 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.213 4.310 -0.954 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.515 6.183 1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.788 4.647 1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.237 6.698 -1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.329 5.742 -2.576 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -6.993 6.740 -1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.246 6.496 1.907 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.603 5.430 0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.341 6.990 0.200 1.00 0.00 H new ATOM 1538 N ARG A 98 -8.950 5.054 0.846 1.00 0.00 N ATOM 1539 CA ARG A 98 -10.085 5.856 1.255 1.00 0.00 C ATOM 1540 C ARG A 98 -9.680 6.638 2.494 1.00 0.00 C ATOM 1541 O ARG A 98 -8.649 6.347 3.093 1.00 0.00 O ATOM 1542 CB ARG A 98 -11.298 4.969 1.571 1.00 0.00 C ATOM 1543 CG ARG A 98 -11.558 3.885 0.533 1.00 0.00 C ATOM 1544 CD ARG A 98 -12.726 4.237 -0.381 1.00 0.00 C ATOM 1545 NE ARG A 98 -12.614 5.582 -0.953 1.00 0.00 N ATOM 1546 CZ ARG A 98 -12.517 5.832 -2.258 1.00 0.00 C ATOM 1547 NH1 ARG A 98 -12.467 4.827 -3.132 1.00 0.00 N ATOM 1548 NH2 ARG A 98 -12.471 7.086 -2.689 1.00 0.00 N ATOM 0 H ARG A 98 -8.497 4.564 1.617 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.369 6.531 0.447 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.148 4.499 2.543 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -12.184 5.598 1.654 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -10.661 3.735 -0.067 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -11.765 2.942 1.038 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -12.782 3.507 -1.189 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.657 4.163 0.181 1.00 0.00 H new ATOM 0 HE ARG A 98 -12.610 6.376 -0.312 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -12.503 3.862 -2.803 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.393 5.023 -4.130 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -12.510 7.856 -2.022 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.397 7.280 -3.688 1.00 0.00 H new ATOM 1562 N ALA A 99 -10.480 7.610 2.892 1.00 0.00 N ATOM 1563 CA ALA A 99 -10.174 8.392 4.054 1.00 0.00 C ATOM 1564 C ALA A 99 -10.515 7.564 5.244 1.00 0.00 C ATOM 1565 O ALA A 99 -11.417 6.737 5.192 1.00 0.00 O ATOM 1566 CB ALA A 99 -10.992 9.677 4.099 1.00 0.00 C ATOM 0 H ALA A 99 -11.346 7.870 2.420 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.120 8.670 4.035 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.732 10.243 4.994 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.776 10.277 3.215 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.054 9.432 4.120 1.00 0.00 H new ATOM 1572 N TYR A 100 -9.788 7.733 6.291 1.00 0.00 N ATOM 1573 CA TYR A 100 -10.076 7.012 7.481 1.00 0.00 C ATOM 1574 C TYR A 100 -10.996 7.885 8.328 1.00 0.00 C ATOM 1575 O TYR A 100 -10.557 8.800 9.026 1.00 0.00 O ATOM 1576 CB TYR A 100 -8.742 6.689 8.129 1.00 0.00 C ATOM 1577 CG TYR A 100 -8.788 6.198 9.560 1.00 0.00 C ATOM 1578 CD1 TYR A 100 -8.732 7.074 10.637 1.00 0.00 C ATOM 1579 CD2 TYR A 100 -8.867 4.838 9.826 1.00 0.00 C ATOM 1580 CE1 TYR A 100 -8.772 6.606 11.937 1.00 0.00 C ATOM 1581 CE2 TYR A 100 -8.907 4.364 11.121 1.00 0.00 C ATOM 1582 CZ TYR A 100 -8.854 5.249 12.173 1.00 0.00 C ATOM 1583 OH TYR A 100 -8.900 4.777 13.466 1.00 0.00 O ATOM 0 H TYR A 100 -8.989 8.364 6.349 1.00 0.00 H new ATOM 0 HA TYR A 100 -10.597 6.068 7.323 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -8.243 5.932 7.524 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -8.121 7.584 8.095 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -8.656 8.136 10.456 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -8.898 4.138 9.004 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -8.739 7.299 12.764 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -8.980 3.303 11.308 1.00 0.00 H new ATOM 0 HH TYR A 100 -8.958 3.799 13.455 1.00 0.00 H new ATOM 1593 N ASN A 101 -12.290 7.634 8.192 1.00 0.00 N ATOM 1594 CA ASN A 101 -13.308 8.380 8.912 1.00 0.00 C ATOM 1595 C ASN A 101 -14.423 7.442 9.333 1.00 0.00 C ATOM 1596 O ASN A 101 -14.657 6.415 8.704 1.00 0.00 O ATOM 1597 CB ASN A 101 -13.869 9.535 8.064 1.00 0.00 C ATOM 1598 CG ASN A 101 -14.519 9.073 6.771 1.00 0.00 C ATOM 1599 OD1 ASN A 101 -15.529 8.375 6.784 1.00 0.00 O ATOM 1600 ND2 ASN A 101 -13.954 9.474 5.646 1.00 0.00 N ATOM 0 H ASN A 101 -12.662 6.908 7.580 1.00 0.00 H new ATOM 0 HA ASN A 101 -12.848 8.819 9.798 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -14.601 10.086 8.654 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -13.062 10.229 7.829 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -14.357 9.204 4.749 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -13.115 10.053 5.675 1.00 0.00 H new ATOM 1607 N GLU A 102 -15.143 7.827 10.361 1.00 0.00 N ATOM 1608 CA GLU A 102 -16.211 6.992 10.922 1.00 0.00 C ATOM 1609 C GLU A 102 -17.365 6.721 9.950 1.00 0.00 C ATOM 1610 O GLU A 102 -18.252 5.926 10.259 1.00 0.00 O ATOM 1611 CB GLU A 102 -16.746 7.609 12.211 1.00 0.00 C ATOM 1612 CG GLU A 102 -15.700 7.685 13.312 1.00 0.00 C ATOM 1613 CD GLU A 102 -16.244 7.279 14.664 1.00 0.00 C ATOM 1614 OE1 GLU A 102 -16.407 6.063 14.900 1.00 0.00 O ATOM 1615 OE2 GLU A 102 -16.499 8.169 15.504 1.00 0.00 O ATOM 0 H GLU A 102 -15.016 8.720 10.838 1.00 0.00 H new ATOM 0 HA GLU A 102 -15.755 6.024 11.131 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -17.117 8.612 12.000 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -17.594 7.022 12.563 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -14.860 7.040 13.054 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.314 8.703 13.371 1.00 0.00 H new ATOM 1622 N GLU A 103 -17.347 7.346 8.781 1.00 0.00 N ATOM 1623 CA GLU A 103 -18.406 7.144 7.799 1.00 0.00 C ATOM 1624 C GLU A 103 -18.092 5.960 6.886 1.00 0.00 C ATOM 1625 O GLU A 103 -18.949 5.108 6.651 1.00 0.00 O ATOM 1626 CB GLU A 103 -18.618 8.407 6.961 1.00 0.00 C ATOM 1627 CG GLU A 103 -19.919 8.403 6.174 1.00 0.00 C ATOM 1628 CD GLU A 103 -19.922 9.420 5.051 1.00 0.00 C ATOM 1629 OE1 GLU A 103 -19.936 10.634 5.345 1.00 0.00 O ATOM 1630 OE2 GLU A 103 -19.921 9.003 3.874 1.00 0.00 O ATOM 0 H GLU A 103 -16.615 7.994 8.489 1.00 0.00 H new ATOM 0 HA GLU A 103 -19.324 6.926 8.345 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -18.603 9.276 7.619 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -17.784 8.518 6.268 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -20.086 7.409 5.760 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -20.749 8.610 6.850 1.00 0.00 H new ATOM 1637 N ASN A 104 -16.861 5.889 6.383 1.00 0.00 N ATOM 1638 CA ASN A 104 -16.475 4.798 5.490 1.00 0.00 C ATOM 1639 C ASN A 104 -15.994 3.602 6.296 1.00 0.00 C ATOM 1640 O ASN A 104 -16.157 2.452 5.888 1.00 0.00 O ATOM 1641 CB ASN A 104 -15.394 5.251 4.501 1.00 0.00 C ATOM 1642 CG ASN A 104 -14.005 5.227 5.098 1.00 0.00 C ATOM 1643 OD1 ASN A 104 -13.753 5.835 6.137 1.00 0.00 O ATOM 1644 ND2 ASN A 104 -13.096 4.514 4.455 1.00 0.00 N ATOM 0 H ASN A 104 -16.122 6.565 6.575 1.00 0.00 H new ATOM 0 HA ASN A 104 -17.353 4.502 4.915 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -15.418 4.606 3.623 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -15.620 6.261 4.160 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -12.145 4.454 4.818 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -13.346 4.024 3.596 1.00 0.00 H new ATOM 1651 N ILE A 105 -15.412 3.879 7.455 1.00 0.00 N ATOM 1652 CA ILE A 105 -14.938 2.827 8.333 1.00 0.00 C ATOM 1653 C ILE A 105 -16.130 2.041 8.836 1.00 0.00 C ATOM 1654 O ILE A 105 -16.020 0.869 9.204 1.00 0.00 O ATOM 1655 CB ILE A 105 -14.180 3.391 9.528 1.00 0.00 C ATOM 1656 CG1 ILE A 105 -12.960 4.170 9.061 1.00 0.00 C ATOM 1657 CG2 ILE A 105 -13.758 2.286 10.480 1.00 0.00 C ATOM 1658 CD1 ILE A 105 -12.247 4.835 10.195 1.00 0.00 C ATOM 0 H ILE A 105 -15.258 4.824 7.806 1.00 0.00 H new ATOM 0 HA ILE A 105 -14.257 2.190 7.768 1.00 0.00 H new ATOM 0 HB ILE A 105 -14.850 4.065 10.062 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -12.274 3.495 8.549 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -13.268 4.923 8.336 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -13.219 2.718 11.323 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -14.642 1.762 10.844 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -13.110 1.583 9.957 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -11.383 5.379 9.813 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -12.923 5.531 10.692 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.914 4.081 10.908 1.00 0.00 H new ATOM 1670 N ALA A 106 -17.281 2.709 8.829 1.00 0.00 N ATOM 1671 CA ALA A 106 -18.528 2.113 9.262 1.00 0.00 C ATOM 1672 C ALA A 106 -18.794 0.860 8.452 1.00 0.00 C ATOM 1673 O ALA A 106 -19.428 -0.086 8.926 1.00 0.00 O ATOM 1674 CB ALA A 106 -19.659 3.112 9.114 1.00 0.00 C ATOM 0 H ALA A 106 -17.368 3.678 8.522 1.00 0.00 H new ATOM 0 HA ALA A 106 -18.460 1.838 10.314 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -20.593 2.655 9.442 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -19.451 3.991 9.725 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -19.748 3.409 8.069 1.00 0.00 H new ATOM 1680 N MET A 107 -18.290 0.855 7.223 1.00 0.00 N ATOM 1681 CA MET A 107 -18.432 -0.296 6.367 1.00 0.00 C ATOM 1682 C MET A 107 -17.397 -1.322 6.768 1.00 0.00 C ATOM 1683 O MET A 107 -17.732 -2.468 6.919 1.00 0.00 O ATOM 1684 CB MET A 107 -18.257 0.054 4.891 1.00 0.00 C ATOM 1685 CG MET A 107 -19.070 -0.822 3.963 1.00 0.00 C ATOM 1686 SD MET A 107 -20.676 -1.258 4.656 1.00 0.00 S ATOM 1687 CE MET A 107 -21.323 -2.305 3.357 1.00 0.00 C ATOM 0 H MET A 107 -17.783 1.636 6.807 1.00 0.00 H new ATOM 0 HA MET A 107 -19.442 -0.688 6.488 1.00 0.00 H new ATOM 0 HB2 MET A 107 -18.541 1.095 4.736 1.00 0.00 H new ATOM 0 HB3 MET A 107 -17.203 -0.032 4.628 1.00 0.00 H new ATOM 0 HG2 MET A 107 -19.215 -0.304 3.015 1.00 0.00 H new ATOM 0 HG3 MET A 107 -18.512 -1.733 3.747 1.00 0.00 H new ATOM 0 HE1 MET A 107 -22.316 -2.658 3.635 1.00 0.00 H new ATOM 0 HE2 MET A 107 -21.386 -1.737 2.429 1.00 0.00 H new ATOM 0 HE3 MET A 107 -20.661 -3.159 3.215 1.00 0.00 H new ATOM 1697 N LYS A 108 -16.147 -0.882 6.978 1.00 0.00 N ATOM 1698 CA LYS A 108 -15.046 -1.770 7.367 1.00 0.00 C ATOM 1699 C LYS A 108 -15.433 -2.621 8.570 1.00 0.00 C ATOM 1700 O LYS A 108 -15.096 -3.796 8.645 1.00 0.00 O ATOM 1701 CB LYS A 108 -13.790 -0.958 7.689 1.00 0.00 C ATOM 1702 CG LYS A 108 -12.552 -1.818 7.879 1.00 0.00 C ATOM 1703 CD LYS A 108 -12.123 -1.889 9.335 1.00 0.00 C ATOM 1704 CE LYS A 108 -10.969 -0.943 9.620 1.00 0.00 C ATOM 1705 NZ LYS A 108 -10.491 -1.053 11.021 1.00 0.00 N ATOM 0 H LYS A 108 -15.874 0.096 6.883 1.00 0.00 H new ATOM 0 HA LYS A 108 -14.836 -2.431 6.526 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -13.609 -0.246 6.884 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -13.963 -0.377 8.595 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -12.750 -2.824 7.511 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -11.735 -1.414 7.280 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -12.967 -1.639 9.977 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -11.828 -2.909 9.579 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -10.146 -1.160 8.939 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -11.284 0.082 9.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -10.036 -0.162 11.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -11.298 -1.244 11.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.804 -1.830 11.093 1.00 0.00 H new ATOM 1719 N LYS A 109 -16.114 -2.002 9.513 1.00 0.00 N ATOM 1720 CA LYS A 109 -16.600 -2.709 10.709 1.00 0.00 C ATOM 1721 C LYS A 109 -17.505 -3.859 10.291 1.00 0.00 C ATOM 1722 O LYS A 109 -17.257 -5.022 10.607 1.00 0.00 O ATOM 1723 CB LYS A 109 -17.390 -1.767 11.627 1.00 0.00 C ATOM 1724 CG LYS A 109 -16.719 -0.428 11.878 1.00 0.00 C ATOM 1725 CD LYS A 109 -15.490 -0.574 12.753 1.00 0.00 C ATOM 1726 CE LYS A 109 -15.257 0.685 13.574 1.00 0.00 C ATOM 1727 NZ LYS A 109 -14.108 0.544 14.502 1.00 0.00 N ATOM 0 H LYS A 109 -16.350 -1.010 9.486 1.00 0.00 H new ATOM 0 HA LYS A 109 -15.733 -3.086 11.253 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -18.372 -1.591 11.188 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -17.552 -2.263 12.584 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -16.437 0.022 10.926 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -17.427 0.250 12.354 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.611 -1.429 13.418 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.617 -0.774 12.131 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.080 1.526 12.904 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -16.156 0.916 14.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -13.987 1.425 15.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -14.287 -0.242 15.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -13.244 0.349 13.957 1.00 0.00 H new ATOM 1741 N ARG A 110 -18.555 -3.509 9.569 1.00 0.00 N ATOM 1742 CA ARG A 110 -19.515 -4.470 9.063 1.00 0.00 C ATOM 1743 C ARG A 110 -18.827 -5.418 8.094 1.00 0.00 C ATOM 1744 O ARG A 110 -19.162 -6.589 7.990 1.00 0.00 O ATOM 1745 CB ARG A 110 -20.626 -3.710 8.345 1.00 0.00 C ATOM 1746 CG ARG A 110 -21.803 -4.565 7.956 1.00 0.00 C ATOM 1747 CD ARG A 110 -22.723 -4.784 9.134 1.00 0.00 C ATOM 1748 NE ARG A 110 -24.120 -4.797 8.723 1.00 0.00 N ATOM 1749 CZ ARG A 110 -24.875 -5.886 8.680 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -24.396 -7.047 9.106 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -26.119 -5.805 8.231 1.00 0.00 N ATOM 0 H ARG A 110 -18.765 -2.543 9.317 1.00 0.00 H new ATOM 0 HA ARG A 110 -19.933 -5.052 9.884 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -20.974 -2.902 8.989 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -20.214 -3.247 7.448 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -22.352 -4.087 7.145 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -21.451 -5.526 7.581 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -22.476 -5.728 9.619 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -22.566 -3.996 9.871 1.00 0.00 H new ATOM 0 HE ARG A 110 -24.545 -3.911 8.451 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -23.444 -7.104 9.468 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -24.979 -7.883 9.072 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -26.492 -4.908 7.920 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -26.704 -6.640 8.196 1.00 0.00 H new ATOM 1765 N LEU A 111 -17.847 -4.877 7.414 1.00 0.00 N ATOM 1766 CA LEU A 111 -17.065 -5.584 6.430 1.00 0.00 C ATOM 1767 C LEU A 111 -16.201 -6.645 7.055 1.00 0.00 C ATOM 1768 O LEU A 111 -16.120 -7.745 6.552 1.00 0.00 O ATOM 1769 CB LEU A 111 -16.209 -4.586 5.673 1.00 0.00 C ATOM 1770 CG LEU A 111 -16.869 -4.037 4.433 1.00 0.00 C ATOM 1771 CD1 LEU A 111 -16.112 -2.833 3.897 1.00 0.00 C ATOM 1772 CD2 LEU A 111 -17.013 -5.091 3.364 1.00 0.00 C ATOM 0 H LEU A 111 -17.563 -3.905 7.533 1.00 0.00 H new ATOM 0 HA LEU A 111 -17.746 -6.090 5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -15.959 -3.759 6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -15.271 -5.065 5.393 1.00 0.00 H new ATOM 0 HG LEU A 111 -17.870 -3.714 4.718 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -16.610 -2.458 3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -16.090 -2.050 4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -15.092 -3.126 3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -17.493 -4.657 2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -16.028 -5.468 3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -17.623 -5.912 3.742 1.00 0.00 H new ATOM 1784 N ALA A 112 -15.565 -6.343 8.159 1.00 0.00 N ATOM 1785 CA ALA A 112 -14.730 -7.335 8.790 1.00 0.00 C ATOM 1786 C ALA A 112 -15.603 -8.378 9.457 1.00 0.00 C ATOM 1787 O ALA A 112 -15.121 -9.392 9.945 1.00 0.00 O ATOM 1788 CB ALA A 112 -13.761 -6.703 9.773 1.00 0.00 C ATOM 0 H ALA A 112 -15.606 -5.440 8.631 1.00 0.00 H new ATOM 0 HA ALA A 112 -14.123 -7.823 8.027 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.148 -7.480 10.230 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -13.119 -5.996 9.248 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -14.320 -6.179 10.549 1.00 0.00 H new ATOM 1794 N ASN A 113 -16.892 -8.088 9.506 1.00 0.00 N ATOM 1795 CA ASN A 113 -17.861 -8.996 10.079 1.00 0.00 C ATOM 1796 C ASN A 113 -18.552 -9.809 8.978 1.00 0.00 C ATOM 1797 O ASN A 113 -18.858 -10.985 9.164 1.00 0.00 O ATOM 1798 CB ASN A 113 -18.891 -8.208 10.889 1.00 0.00 C ATOM 1799 CG ASN A 113 -18.471 -8.004 12.333 1.00 0.00 C ATOM 1800 OD1 ASN A 113 -18.769 -8.824 13.199 1.00 0.00 O ATOM 1801 ND2 ASN A 113 -17.783 -6.904 12.605 1.00 0.00 N ATOM 0 H ASN A 113 -17.291 -7.219 9.150 1.00 0.00 H new ATOM 0 HA ASN A 113 -17.346 -9.691 10.742 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -19.049 -7.237 10.421 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -19.846 -8.733 10.864 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -17.482 -6.714 13.561 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -17.555 -6.247 11.858 1.00 0.00 H new ATOM 1808 N GLU A 114 -18.777 -9.175 7.825 1.00 0.00 N ATOM 1809 CA GLU A 114 -19.450 -9.821 6.699 1.00 0.00 C ATOM 1810 C GLU A 114 -18.467 -10.363 5.659 1.00 0.00 C ATOM 1811 O GLU A 114 -18.754 -11.361 5.003 1.00 0.00 O ATOM 1812 CB GLU A 114 -20.438 -8.860 6.030 1.00 0.00 C ATOM 1813 CG GLU A 114 -21.652 -8.538 6.891 1.00 0.00 C ATOM 1814 CD GLU A 114 -22.967 -8.685 6.145 1.00 0.00 C ATOM 1815 OE1 GLU A 114 -23.162 -7.996 5.121 1.00 0.00 O ATOM 1816 OE2 GLU A 114 -23.818 -9.487 6.590 1.00 0.00 O ATOM 0 H GLU A 114 -18.501 -8.209 7.648 1.00 0.00 H new ATOM 0 HA GLU A 114 -19.994 -10.671 7.111 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -19.921 -7.933 5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -20.775 -9.295 5.089 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -21.659 -9.196 7.760 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -21.565 -7.518 7.264 1.00 0.00 H new ATOM 1823 N ALA A 115 -17.312 -9.724 5.490 1.00 0.00 N ATOM 1824 CA ALA A 115 -16.334 -10.203 4.518 1.00 0.00 C ATOM 1825 C ALA A 115 -15.469 -11.277 5.148 1.00 0.00 C ATOM 1826 O ALA A 115 -14.549 -11.809 4.527 1.00 0.00 O ATOM 1827 CB ALA A 115 -15.469 -9.065 4.013 1.00 0.00 C ATOM 0 H ALA A 115 -17.034 -8.888 6.004 1.00 0.00 H new ATOM 0 HA ALA A 115 -16.870 -10.624 3.667 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -14.749 -9.448 3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -16.098 -8.314 3.535 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -14.937 -8.613 4.850 1.00 0.00 H new ATOM 1833 N LYS A 116 -15.793 -11.589 6.390 1.00 0.00 N ATOM 1834 CA LYS A 116 -15.062 -12.572 7.154 1.00 0.00 C ATOM 1835 C LYS A 116 -15.849 -13.865 7.195 1.00 0.00 C ATOM 1836 O LYS A 116 -15.346 -14.913 7.605 1.00 0.00 O ATOM 1837 CB LYS A 116 -14.822 -12.032 8.565 1.00 0.00 C ATOM 1838 CG LYS A 116 -15.944 -12.331 9.552 1.00 0.00 C ATOM 1839 CD LYS A 116 -15.412 -12.555 10.962 1.00 0.00 C ATOM 1840 CE LYS A 116 -14.601 -13.838 11.058 1.00 0.00 C ATOM 1841 NZ LYS A 116 -14.327 -14.217 12.468 1.00 0.00 N ATOM 0 H LYS A 116 -16.572 -11.165 6.894 1.00 0.00 H new ATOM 0 HA LYS A 116 -14.097 -12.772 6.688 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -13.894 -12.454 8.950 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -14.682 -10.953 8.509 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -16.653 -11.503 9.558 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -16.490 -13.216 9.225 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -14.791 -11.709 11.256 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -16.245 -12.597 11.663 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -15.140 -14.646 10.563 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -13.658 -13.712 10.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -13.772 -15.096 12.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -13.790 -13.458 12.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -15.226 -14.363 12.969 1.00 0.00 H new ATOM 1855 N GLU A 117 -17.090 -13.777 6.758 1.00 0.00 N ATOM 1856 CA GLU A 117 -17.967 -14.915 6.739 1.00 0.00 C ATOM 1857 C GLU A 117 -18.249 -15.345 5.305 1.00 0.00 C ATOM 1858 O GLU A 117 -17.501 -15.012 4.384 1.00 0.00 O ATOM 1859 CB GLU A 117 -19.270 -14.597 7.490 1.00 0.00 C ATOM 1860 CG GLU A 117 -19.906 -13.259 7.119 1.00 0.00 C ATOM 1861 CD GLU A 117 -21.244 -13.416 6.420 1.00 0.00 C ATOM 1862 OE1 GLU A 117 -21.255 -13.727 5.212 1.00 0.00 O ATOM 1863 OE2 GLU A 117 -22.290 -13.237 7.079 1.00 0.00 O ATOM 0 H GLU A 117 -17.511 -12.916 6.409 1.00 0.00 H new ATOM 0 HA GLU A 117 -17.478 -15.745 7.248 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -19.989 -15.393 7.296 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -19.068 -14.604 8.561 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -20.041 -12.664 8.022 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -19.226 -12.706 6.471 1.00 0.00 H new ATOM 1870 N ALA A 118 -19.325 -16.083 5.138 1.00 0.00 N ATOM 1871 CA ALA A 118 -19.742 -16.586 3.836 1.00 0.00 C ATOM 1872 C ALA A 118 -21.186 -17.048 3.918 1.00 0.00 C ATOM 1873 O ALA A 118 -21.532 -18.133 3.434 1.00 0.00 O ATOM 1874 CB ALA A 118 -18.843 -17.733 3.394 1.00 0.00 C ATOM 0 H ALA A 118 -19.942 -16.356 5.903 1.00 0.00 H new ATOM 0 HA ALA A 118 -19.659 -15.788 3.099 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -19.169 -18.096 2.419 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -17.813 -17.382 3.324 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -18.902 -18.543 4.121 1.00 0.00 H new ATOM 1880 N LYS A 119 -22.019 -16.205 4.537 1.00 0.00 N ATOM 1881 CA LYS A 119 -23.437 -16.488 4.741 1.00 0.00 C ATOM 1882 C LYS A 119 -23.599 -17.590 5.792 1.00 0.00 C ATOM 1883 O LYS A 119 -22.622 -18.229 6.192 1.00 0.00 O ATOM 1884 CB LYS A 119 -24.113 -16.874 3.414 1.00 0.00 C ATOM 1885 CG LYS A 119 -25.633 -16.870 3.457 1.00 0.00 C ATOM 1886 CD LYS A 119 -26.226 -17.464 2.191 1.00 0.00 C ATOM 1887 CE LYS A 119 -25.750 -18.889 1.967 1.00 0.00 C ATOM 1888 NZ LYS A 119 -26.265 -19.448 0.693 1.00 0.00 N ATOM 0 H LYS A 119 -21.723 -15.303 4.911 1.00 0.00 H new ATOM 0 HA LYS A 119 -23.931 -15.588 5.107 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -23.782 -16.184 2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -23.773 -17.868 3.123 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -25.975 -17.438 4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -25.992 -15.849 3.584 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -27.314 -17.449 2.256 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -25.949 -16.848 1.335 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -24.660 -18.911 1.959 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -26.076 -19.516 2.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -25.919 -20.422 0.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -27.305 -19.450 0.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -25.933 -18.865 -0.101 1.00 0.00 H new ATOM 1902 N LYS A 120 -24.817 -17.777 6.278 1.00 0.00 N ATOM 1903 CA LYS A 120 -25.082 -18.806 7.266 1.00 0.00 C ATOM 1904 C LYS A 120 -25.096 -20.172 6.597 1.00 0.00 C ATOM 1905 O LYS A 120 -24.584 -21.135 7.197 1.00 0.00 O ATOM 1906 CB LYS A 120 -26.414 -18.550 7.976 1.00 0.00 C ATOM 1907 CG LYS A 120 -26.617 -19.420 9.208 1.00 0.00 C ATOM 1908 CD LYS A 120 -27.649 -20.511 8.974 1.00 0.00 C ATOM 1909 CE LYS A 120 -27.114 -21.883 9.372 1.00 0.00 C ATOM 1910 NZ LYS A 120 -26.525 -22.619 8.217 1.00 0.00 N ATOM 1911 OXT LYS A 120 -25.614 -20.276 5.466 1.00 0.00 O ATOM 0 H LYS A 120 -25.633 -17.230 6.004 1.00 0.00 H new ATOM 0 HA LYS A 120 -24.289 -18.781 8.014 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -26.466 -17.501 8.268 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -27.231 -18.727 7.276 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -25.667 -19.874 9.491 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -26.933 -18.796 10.044 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -28.549 -20.290 9.547 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -27.936 -20.522 7.922 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -26.358 -21.764 10.148 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -27.922 -22.474 9.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -26.394 -23.618 8.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -27.165 -22.552 7.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -25.605 -22.201 7.971 1.00 0.00 H new TER 1925 LYS A 120