USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 973 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 33 GLN : amide:sc= -0.0142 X(o=-0.014,f=-0.053) USER MOD Set 1.2: A 124 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 34 HIS : no HD1:sc= -3.87! K(o=-5.5!,f=-2.6) USER MOD Set 2.2: A 115 HIS : no HD1:sc= -1.64 K(o=-5.5,f=-2.6) USER MOD Set 3.1: A 66 ASN : amide:sc= -3.31 K(o=-8.1,f=-6.4) USER MOD Set 3.2: A 75 ASN : amide:sc= -4.8! C(o=-8.1!,f=-12!) USER MOD Single : A 3 TYR OH : rot 0:sc= -4.89! USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -2.26 X(o=-2.3,f=-2!) USER MOD Single : A 17 MET CE :methyl -153:sc= -7.6! (180deg=-9.9!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -134:sc= -1.54! USER MOD Single : A 37 ASN : amide:sc= -4.29! C(o=-4.3!,f=-8.9!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.676 K(o=-0.68,f=0.38) USER MOD Single : A 40 THR OG1 : rot 70:sc= 1.01 USER MOD Single : A 43 THR OG1 : rot -93:sc= 0.984 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -2.61! C(o=-2.6!,f=-3.1!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 27:sc= -1.43! USER MOD Single : A 54 TYR OH : rot 123:sc= -3.54! USER MOD Single : A 58 GLN : amide:sc= -0.126 K(o=-0.13,f=-0.7) USER MOD Single : A 60 ASN : amide:sc= -0.402 K(o=-0.4,f=-1.1) USER MOD Single : A 61 SER OG : rot 79:sc= 1.14 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.263 K(o=-0.26,f=-1.8!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.286 X(o=-0.29,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.198 K(o=-0.2,f=-2.1!) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 ASN : amide:sc= -0.0153 K(o=-0.015,f=-0.61) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 127 ASN : amide:sc= -0.41 X(o=-0.41,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 23 N VAL A 2 -3.776 6.813 11.067 1.00 0.00 N ATOM 24 CA VAL A 2 -2.921 5.921 11.832 1.00 0.00 C ATOM 25 C VAL A 2 -3.515 4.511 11.811 1.00 0.00 C ATOM 26 O VAL A 2 -4.717 4.337 12.005 1.00 0.00 O ATOM 27 CB VAL A 2 -2.729 6.468 13.248 1.00 0.00 C ATOM 28 CG1 VAL A 2 -2.068 5.425 14.152 1.00 0.00 C ATOM 29 CG2 VAL A 2 -1.922 7.767 13.229 1.00 0.00 C ATOM 0 HA VAL A 2 -1.929 5.863 11.383 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.714 6.692 13.658 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.943 5.838 15.153 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.697 4.536 14.203 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.093 5.157 13.745 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.800 8.135 14.248 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.942 7.580 12.791 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.448 8.514 12.635 1.00 0.00 H new ATOM 39 N TYR A 3 -2.644 3.541 11.574 1.00 0.00 N ATOM 40 CA TYR A 3 -3.066 2.151 11.525 1.00 0.00 C ATOM 41 C TYR A 3 -1.927 1.217 11.933 1.00 0.00 C ATOM 42 O TYR A 3 -0.777 1.433 11.556 1.00 0.00 O ATOM 43 CB TYR A 3 -3.439 1.875 10.067 1.00 0.00 C ATOM 44 CG TYR A 3 -2.386 1.076 9.296 1.00 0.00 C ATOM 45 CD1 TYR A 3 -2.027 -0.186 9.727 1.00 0.00 C ATOM 46 CD2 TYR A 3 -1.797 1.615 8.172 1.00 0.00 C ATOM 47 CE1 TYR A 3 -1.035 -0.938 9.002 1.00 0.00 C ATOM 48 CE2 TYR A 3 -0.806 0.863 7.447 1.00 0.00 C ATOM 49 CZ TYR A 3 -0.475 -0.377 7.897 1.00 0.00 C ATOM 50 OH TYR A 3 0.461 -1.087 7.212 1.00 0.00 O ATOM 0 H TYR A 3 -1.648 3.690 11.414 1.00 0.00 H new ATOM 0 HA TYR A 3 -3.897 1.978 12.209 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -4.384 1.332 10.041 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -3.604 2.825 9.559 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.489 -0.609 10.607 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -2.079 2.602 7.835 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.743 -1.925 9.329 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -0.336 1.274 6.566 1.00 0.00 H new ATOM 0 HH TYR A 3 0.599 -1.953 7.649 1.00 0.00 H new ATOM 60 N GLU A 4 -2.286 0.197 12.700 1.00 0.00 N ATOM 61 CA GLU A 4 -1.307 -0.771 13.163 1.00 0.00 C ATOM 62 C GLU A 4 -1.549 -2.129 12.501 1.00 0.00 C ATOM 63 O GLU A 4 -2.638 -2.390 11.993 1.00 0.00 O ATOM 64 CB GLU A 4 -1.336 -0.892 14.689 1.00 0.00 C ATOM 65 CG GLU A 4 -2.619 -1.578 15.160 1.00 0.00 C ATOM 66 CD GLU A 4 -2.662 -1.673 16.686 1.00 0.00 C ATOM 67 OE1 GLU A 4 -3.002 -0.644 17.310 1.00 0.00 O ATOM 68 OE2 GLU A 4 -2.354 -2.773 17.195 1.00 0.00 O ATOM 0 H GLU A 4 -3.241 0.021 13.012 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.315 -0.421 12.877 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.470 -1.460 15.029 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.263 0.099 15.137 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.485 -1.022 14.802 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.681 -2.577 14.728 1.00 0.00 H new ATOM 75 N ARG A 5 -0.515 -2.958 12.529 1.00 0.00 N ATOM 76 CA ARG A 5 -0.602 -4.282 11.937 1.00 0.00 C ATOM 77 C ARG A 5 -2.006 -4.858 12.128 1.00 0.00 C ATOM 78 O ARG A 5 -2.689 -5.175 11.155 1.00 0.00 O ATOM 79 CB ARG A 5 0.421 -5.232 12.562 1.00 0.00 C ATOM 80 CG ARG A 5 0.828 -4.758 13.959 1.00 0.00 C ATOM 81 CD ARG A 5 1.182 -5.944 14.858 1.00 0.00 C ATOM 82 NE ARG A 5 1.181 -5.521 16.277 1.00 0.00 N ATOM 83 CZ ARG A 5 1.306 -6.364 17.312 1.00 0.00 C ATOM 84 NH1 ARG A 5 1.443 -7.678 17.093 1.00 0.00 N ATOM 85 NH2 ARG A 5 1.294 -5.890 18.566 1.00 0.00 N ATOM 0 H ARG A 5 0.387 -2.738 12.952 1.00 0.00 H new ATOM 0 HA ARG A 5 -0.388 -4.184 10.873 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.001 -6.236 12.623 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.303 -5.294 11.924 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.683 -4.086 13.884 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.013 -4.189 14.406 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.464 -6.751 14.710 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.162 -6.336 14.587 1.00 0.00 H new ATOM 0 HE ARG A 5 1.079 -4.527 16.480 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.452 -8.038 16.139 1.00 0.00 H new ATOM 0 HH12 ARG A 5 1.538 -8.319 17.881 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.190 -4.889 18.732 1.00 0.00 H new ATOM 0 HH22 ARG A 5 1.389 -6.530 19.354 1.00 0.00 H new ATOM 99 N CYS A 6 -2.397 -4.976 13.389 1.00 0.00 N ATOM 100 CA CYS A 6 -3.708 -5.508 13.720 1.00 0.00 C ATOM 101 C CYS A 6 -4.753 -4.760 12.892 1.00 0.00 C ATOM 102 O CYS A 6 -5.242 -5.277 11.889 1.00 0.00 O ATOM 103 CB CYS A 6 -3.993 -5.415 15.221 1.00 0.00 C ATOM 104 SG CYS A 6 -2.824 -6.335 16.284 1.00 0.00 S ATOM 0 H CYS A 6 -1.828 -4.712 14.194 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.746 -6.570 13.475 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.979 -4.365 15.514 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.001 -5.785 15.408 1.00 0.00 H new ATOM 109 N GLU A 7 -5.066 -3.554 13.343 1.00 0.00 N ATOM 110 CA GLU A 7 -6.045 -2.729 12.655 1.00 0.00 C ATOM 111 C GLU A 7 -6.030 -3.025 11.155 1.00 0.00 C ATOM 112 O GLU A 7 -6.998 -3.558 10.614 1.00 0.00 O ATOM 113 CB GLU A 7 -5.795 -1.243 12.923 1.00 0.00 C ATOM 114 CG GLU A 7 -6.791 -0.695 13.948 1.00 0.00 C ATOM 115 CD GLU A 7 -8.009 -0.082 13.254 1.00 0.00 C ATOM 116 OE1 GLU A 7 -7.843 1.018 12.683 1.00 0.00 O ATOM 117 OE2 GLU A 7 -9.078 -0.727 13.310 1.00 0.00 O ATOM 0 H GLU A 7 -4.659 -3.128 14.176 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.034 -2.974 13.043 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.778 -1.102 13.288 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.880 -0.683 11.992 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.112 -1.497 14.613 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.304 0.058 14.568 1.00 0.00 H new ATOM 124 N PHE A 8 -4.921 -2.668 10.525 1.00 0.00 N ATOM 125 CA PHE A 8 -4.766 -2.889 9.097 1.00 0.00 C ATOM 126 C PHE A 8 -5.247 -4.287 8.704 1.00 0.00 C ATOM 127 O PHE A 8 -6.080 -4.433 7.811 1.00 0.00 O ATOM 128 CB PHE A 8 -3.273 -2.768 8.784 1.00 0.00 C ATOM 129 CG PHE A 8 -2.965 -1.968 7.518 1.00 0.00 C ATOM 130 CD1 PHE A 8 -3.427 -0.695 7.388 1.00 0.00 C ATOM 131 CD2 PHE A 8 -2.230 -2.529 6.521 1.00 0.00 C ATOM 132 CE1 PHE A 8 -3.141 0.047 6.212 1.00 0.00 C ATOM 133 CE2 PHE A 8 -1.943 -1.786 5.345 1.00 0.00 C ATOM 134 CZ PHE A 8 -2.406 -0.513 5.215 1.00 0.00 C ATOM 0 H PHE A 8 -4.120 -2.227 10.977 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.357 -2.161 8.541 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.772 -2.297 9.630 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.852 -3.768 8.681 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.011 -0.249 8.179 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.864 -3.540 6.623 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.508 1.058 6.109 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.357 -2.231 4.554 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.190 0.052 4.320 1.00 0.00 H new ATOM 144 N ALA A 9 -4.700 -5.280 9.389 1.00 0.00 N ATOM 145 CA ALA A 9 -5.062 -6.662 9.123 1.00 0.00 C ATOM 146 C ALA A 9 -6.586 -6.799 9.147 1.00 0.00 C ATOM 147 O ALA A 9 -7.180 -7.333 8.212 1.00 0.00 O ATOM 148 CB ALA A 9 -4.378 -7.575 10.143 1.00 0.00 C ATOM 0 H ALA A 9 -4.008 -5.155 10.128 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.719 -6.965 8.134 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.650 -8.612 9.943 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.297 -7.462 10.065 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.700 -7.303 11.148 1.00 0.00 H new ATOM 154 N ARG A 10 -7.176 -6.308 10.228 1.00 0.00 N ATOM 155 CA ARG A 10 -8.618 -6.368 10.386 1.00 0.00 C ATOM 156 C ARG A 10 -9.312 -5.734 9.179 1.00 0.00 C ATOM 157 O ARG A 10 -10.092 -6.390 8.490 1.00 0.00 O ATOM 158 CB ARG A 10 -9.063 -5.647 11.659 1.00 0.00 C ATOM 159 CG ARG A 10 -10.562 -5.839 11.904 1.00 0.00 C ATOM 160 CD ARG A 10 -10.897 -5.700 13.391 1.00 0.00 C ATOM 161 NE ARG A 10 -11.458 -4.357 13.659 1.00 0.00 N ATOM 162 CZ ARG A 10 -11.445 -3.764 14.861 1.00 0.00 C ATOM 163 NH1 ARG A 10 -10.899 -4.392 15.912 1.00 0.00 N ATOM 164 NH2 ARG A 10 -11.977 -2.544 15.012 1.00 0.00 N ATOM 0 H ARG A 10 -6.680 -5.867 11.003 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.900 -7.418 10.460 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.500 -6.027 12.512 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.838 -4.584 11.576 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.125 -5.103 11.330 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.869 -6.823 11.549 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.613 -6.468 13.684 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.000 -5.855 13.991 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.881 -3.851 12.881 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.494 -5.321 15.797 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.889 -3.941 16.827 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.392 -2.066 14.212 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.967 -2.093 15.927 1.00 0.00 H new ATOM 178 N THR A 11 -9.003 -4.463 8.959 1.00 0.00 N ATOM 179 CA THR A 11 -9.587 -3.732 7.848 1.00 0.00 C ATOM 180 C THR A 11 -9.397 -4.507 6.542 1.00 0.00 C ATOM 181 O THR A 11 -10.366 -4.791 5.838 1.00 0.00 O ATOM 182 CB THR A 11 -8.966 -2.335 7.822 1.00 0.00 C ATOM 183 OG1 THR A 11 -9.507 -1.693 8.973 1.00 0.00 O ATOM 184 CG2 THR A 11 -9.472 -1.490 6.651 1.00 0.00 C ATOM 0 H THR A 11 -8.356 -3.922 9.532 1.00 0.00 H new ATOM 0 HA THR A 11 -10.664 -3.621 7.970 1.00 0.00 H new ATOM 0 HB THR A 11 -7.881 -2.422 7.764 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.155 -0.781 9.034 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.000 -0.508 6.680 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.224 -1.984 5.712 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.553 -1.375 6.726 1.00 0.00 H new ATOM 192 N LEU A 12 -8.143 -4.826 6.258 1.00 0.00 N ATOM 193 CA LEU A 12 -7.813 -5.562 5.050 1.00 0.00 C ATOM 194 C LEU A 12 -8.767 -6.749 4.905 1.00 0.00 C ATOM 195 O LEU A 12 -9.415 -6.907 3.870 1.00 0.00 O ATOM 196 CB LEU A 12 -6.335 -5.958 5.049 1.00 0.00 C ATOM 197 CG LEU A 12 -5.523 -5.515 3.829 1.00 0.00 C ATOM 198 CD1 LEU A 12 -5.229 -4.015 3.882 1.00 0.00 C ATOM 199 CD2 LEU A 12 -4.245 -6.345 3.693 1.00 0.00 C ATOM 0 H LEU A 12 -7.343 -4.588 6.844 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.950 -4.932 4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.867 -5.543 5.942 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.270 -7.043 5.130 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.121 -5.694 2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.651 -3.726 3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.167 -3.461 3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.659 -3.788 4.783 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.686 -6.011 2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.633 -6.219 4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.505 -7.397 3.577 1.00 0.00 H new ATOM 211 N LYS A 13 -8.825 -7.554 5.956 1.00 0.00 N ATOM 212 CA LYS A 13 -9.688 -8.722 5.957 1.00 0.00 C ATOM 213 C LYS A 13 -11.148 -8.271 5.878 1.00 0.00 C ATOM 214 O LYS A 13 -12.001 -9.001 5.374 1.00 0.00 O ATOM 215 CB LYS A 13 -9.385 -9.611 7.165 1.00 0.00 C ATOM 216 CG LYS A 13 -9.737 -11.072 6.874 1.00 0.00 C ATOM 217 CD LYS A 13 -11.230 -11.327 7.083 1.00 0.00 C ATOM 218 CE LYS A 13 -11.494 -12.798 7.410 1.00 0.00 C ATOM 219 NZ LYS A 13 -12.937 -13.026 7.650 1.00 0.00 N ATOM 0 H LYS A 13 -8.288 -7.420 6.813 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.495 -9.339 5.079 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.329 -9.532 7.423 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.951 -9.262 8.029 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.462 -11.319 5.849 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.158 -11.726 7.526 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.600 -10.699 7.893 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.780 -11.046 6.185 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.153 -13.426 6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.923 -13.089 8.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.098 -14.030 7.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.253 -12.441 8.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.476 -12.768 6.799 1.00 0.00 H new ATOM 233 N ARG A 14 -11.392 -7.070 6.382 1.00 0.00 N ATOM 234 CA ARG A 14 -12.734 -6.514 6.374 1.00 0.00 C ATOM 235 C ARG A 14 -13.075 -5.970 4.985 1.00 0.00 C ATOM 236 O ARG A 14 -14.248 -5.838 4.636 1.00 0.00 O ATOM 237 CB ARG A 14 -12.869 -5.389 7.402 1.00 0.00 C ATOM 238 CG ARG A 14 -14.337 -5.004 7.604 1.00 0.00 C ATOM 239 CD ARG A 14 -14.459 -3.696 8.387 1.00 0.00 C ATOM 240 NE ARG A 14 -15.693 -3.708 9.204 1.00 0.00 N ATOM 241 CZ ARG A 14 -15.938 -4.591 10.181 1.00 0.00 C ATOM 242 NH1 ARG A 14 -15.037 -5.539 10.469 1.00 0.00 N ATOM 243 NH2 ARG A 14 -17.085 -4.526 10.871 1.00 0.00 N ATOM 0 H ARG A 14 -10.683 -6.467 6.798 1.00 0.00 H new ATOM 0 HA ARG A 14 -13.427 -7.314 6.634 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.438 -5.706 8.352 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.303 -4.518 7.070 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -14.825 -4.899 6.635 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -14.855 -5.801 8.137 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -13.589 -3.565 9.030 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -14.477 -2.851 7.699 1.00 0.00 H new ATOM 0 HE ARG A 14 -16.401 -3.000 9.011 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -14.164 -5.589 9.944 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -15.224 -6.211 11.213 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -17.772 -3.804 10.652 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -17.271 -5.198 11.615 1.00 0.00 H new ATOM 257 N ASN A 15 -12.029 -5.669 4.229 1.00 0.00 N ATOM 258 CA ASN A 15 -12.204 -5.142 2.886 1.00 0.00 C ATOM 259 C ASN A 15 -12.286 -6.305 1.894 1.00 0.00 C ATOM 260 O ASN A 15 -13.089 -6.275 0.963 1.00 0.00 O ATOM 261 CB ASN A 15 -11.020 -4.260 2.482 1.00 0.00 C ATOM 262 CG ASN A 15 -11.496 -3.015 1.733 1.00 0.00 C ATOM 263 OD1 ASN A 15 -12.596 -2.523 1.927 1.00 0.00 O ATOM 264 ND2 ASN A 15 -10.609 -2.532 0.867 1.00 0.00 N ATOM 0 H ASN A 15 -11.058 -5.780 4.521 1.00 0.00 H new ATOM 0 HA ASN A 15 -13.118 -4.548 2.873 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -10.463 -3.964 3.371 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -10.336 -4.829 1.852 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -10.832 -1.702 0.318 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -9.706 -2.992 0.752 1.00 0.00 H new ATOM 271 N GLY A 16 -11.444 -7.301 2.128 1.00 0.00 N ATOM 272 CA GLY A 16 -11.412 -8.471 1.267 1.00 0.00 C ATOM 273 C GLY A 16 -10.077 -8.569 0.525 1.00 0.00 C ATOM 274 O GLY A 16 -10.040 -8.941 -0.647 1.00 0.00 O ATOM 0 H GLY A 16 -10.779 -7.322 2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.568 -9.370 1.863 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.229 -8.420 0.548 1.00 0.00 H new ATOM 278 N MET A 17 -9.014 -8.228 1.238 1.00 0.00 N ATOM 279 CA MET A 17 -7.680 -8.273 0.661 1.00 0.00 C ATOM 280 C MET A 17 -6.779 -9.231 1.442 1.00 0.00 C ATOM 281 O MET A 17 -5.931 -9.906 0.858 1.00 0.00 O ATOM 282 CB MET A 17 -7.070 -6.870 0.677 1.00 0.00 C ATOM 283 CG MET A 17 -6.681 -6.426 -0.734 1.00 0.00 C ATOM 284 SD MET A 17 -5.019 -6.963 -1.107 1.00 0.00 S ATOM 285 CE MET A 17 -5.253 -7.561 -2.773 1.00 0.00 C ATOM 0 H MET A 17 -9.048 -7.919 2.210 1.00 0.00 H new ATOM 0 HA MET A 17 -7.759 -8.633 -0.365 1.00 0.00 H new ATOM 0 HB2 MET A 17 -7.784 -6.164 1.101 1.00 0.00 H new ATOM 0 HB3 MET A 17 -6.191 -6.859 1.321 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.378 -6.843 -1.461 1.00 0.00 H new ATOM 0 HG3 MET A 17 -6.748 -5.341 -0.814 1.00 0.00 H new ATOM 0 HE1 MET A 17 -4.514 -8.333 -2.990 1.00 0.00 H new ATOM 0 HE2 MET A 17 -6.255 -7.979 -2.872 1.00 0.00 H new ATOM 0 HE3 MET A 17 -5.133 -6.736 -3.476 1.00 0.00 H new ATOM 295 N ALA A 18 -6.990 -9.261 2.749 1.00 0.00 N ATOM 296 CA ALA A 18 -6.206 -10.125 3.615 1.00 0.00 C ATOM 297 C ALA A 18 -6.243 -11.555 3.070 1.00 0.00 C ATOM 298 O ALA A 18 -7.231 -12.265 3.246 1.00 0.00 O ATOM 299 CB ALA A 18 -6.740 -10.033 5.046 1.00 0.00 C ATOM 0 H ALA A 18 -7.693 -8.700 3.230 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.164 -9.806 3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.152 -10.681 5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.666 -9.004 5.397 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.783 -10.349 5.066 1.00 0.00 H new ATOM 305 N GLY A 19 -5.153 -11.933 2.419 1.00 0.00 N ATOM 306 CA GLY A 19 -5.048 -13.265 1.846 1.00 0.00 C ATOM 307 C GLY A 19 -5.564 -13.285 0.407 1.00 0.00 C ATOM 308 O GLY A 19 -6.152 -14.272 -0.032 1.00 0.00 O ATOM 0 H GLY A 19 -4.335 -11.341 2.275 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.009 -13.593 1.868 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.618 -13.971 2.450 1.00 0.00 H new ATOM 312 N TYR A 20 -5.325 -12.184 -0.290 1.00 0.00 N ATOM 313 CA TYR A 20 -5.759 -12.063 -1.671 1.00 0.00 C ATOM 314 C TYR A 20 -5.383 -13.308 -2.475 1.00 0.00 C ATOM 315 O TYR A 20 -4.747 -14.222 -1.951 1.00 0.00 O ATOM 316 CB TYR A 20 -5.013 -10.856 -2.244 1.00 0.00 C ATOM 317 CG TYR A 20 -5.516 -10.407 -3.617 1.00 0.00 C ATOM 318 CD1 TYR A 20 -6.847 -10.083 -3.792 1.00 0.00 C ATOM 319 CD2 TYR A 20 -4.640 -10.324 -4.680 1.00 0.00 C ATOM 320 CE1 TYR A 20 -7.321 -9.659 -5.084 1.00 0.00 C ATOM 321 CE2 TYR A 20 -5.115 -9.902 -5.972 1.00 0.00 C ATOM 322 CZ TYR A 20 -6.431 -9.590 -6.111 1.00 0.00 C ATOM 323 OH TYR A 20 -6.879 -9.190 -7.331 1.00 0.00 O ATOM 0 H TYR A 20 -4.836 -11.367 0.076 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.842 -11.949 -1.724 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.101 -10.023 -1.546 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.953 -11.099 -2.319 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.532 -10.148 -2.960 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.599 -10.575 -4.543 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.359 -9.402 -5.234 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.440 -9.835 -6.813 1.00 0.00 H new ATOM 0 HH TYR A 20 -6.134 -9.187 -7.968 1.00 0.00 H new ATOM 333 N TYR A 21 -5.790 -13.306 -3.737 1.00 0.00 N ATOM 334 CA TYR A 21 -5.503 -14.424 -4.618 1.00 0.00 C ATOM 335 C TYR A 21 -4.142 -15.043 -4.294 1.00 0.00 C ATOM 336 O TYR A 21 -4.055 -16.225 -3.967 1.00 0.00 O ATOM 337 CB TYR A 21 -5.464 -13.846 -6.034 1.00 0.00 C ATOM 338 CG TYR A 21 -6.656 -14.249 -6.904 1.00 0.00 C ATOM 339 CD1 TYR A 21 -7.883 -13.644 -6.717 1.00 0.00 C ATOM 340 CD2 TYR A 21 -6.505 -15.217 -7.875 1.00 0.00 C ATOM 341 CE1 TYR A 21 -9.004 -14.023 -7.537 1.00 0.00 C ATOM 342 CE2 TYR A 21 -7.627 -15.597 -8.695 1.00 0.00 C ATOM 343 CZ TYR A 21 -8.820 -14.981 -8.485 1.00 0.00 C ATOM 344 OH TYR A 21 -9.880 -15.340 -9.258 1.00 0.00 O ATOM 0 H TYR A 21 -6.316 -12.547 -4.169 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.256 -15.204 -4.506 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.425 -12.759 -5.970 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.545 -14.170 -6.522 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.002 -12.887 -5.956 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.545 -15.690 -8.021 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.969 -13.557 -7.403 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.522 -16.354 -9.459 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.602 -16.033 -9.892 1.00 0.00 H new ATOM 354 N GLY A 22 -3.112 -14.215 -4.397 1.00 0.00 N ATOM 355 CA GLY A 22 -1.760 -14.666 -4.119 1.00 0.00 C ATOM 356 C GLY A 22 -1.215 -14.016 -2.845 1.00 0.00 C ATOM 357 O GLY A 22 -0.938 -14.703 -1.863 1.00 0.00 O ATOM 0 H GLY A 22 -3.187 -13.235 -4.669 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.750 -15.751 -4.011 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.112 -14.423 -4.961 1.00 0.00 H new ATOM 361 N VAL A 23 -1.081 -12.699 -2.901 1.00 0.00 N ATOM 362 CA VAL A 23 -0.575 -11.950 -1.764 1.00 0.00 C ATOM 363 C VAL A 23 -1.269 -12.435 -0.489 1.00 0.00 C ATOM 364 O VAL A 23 -2.496 -12.449 -0.413 1.00 0.00 O ATOM 365 CB VAL A 23 -0.752 -10.449 -2.005 1.00 0.00 C ATOM 366 CG1 VAL A 23 0.017 -9.631 -0.965 1.00 0.00 C ATOM 367 CG2 VAL A 23 -0.329 -10.069 -3.425 1.00 0.00 C ATOM 0 H VAL A 23 -1.314 -12.132 -3.716 1.00 0.00 H new ATOM 0 HA VAL A 23 0.494 -12.123 -1.639 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.811 -10.215 -1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.126 -8.568 -1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.353 -9.870 0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.078 -9.871 -1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.465 -8.997 -3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.720 -10.326 -3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.941 -10.613 -4.145 1.00 0.00 H new ATOM 377 N SER A 24 -0.451 -12.824 0.479 1.00 0.00 N ATOM 378 CA SER A 24 -0.971 -13.310 1.746 1.00 0.00 C ATOM 379 C SER A 24 -1.133 -12.147 2.726 1.00 0.00 C ATOM 380 O SER A 24 -0.324 -11.220 2.734 1.00 0.00 O ATOM 381 CB SER A 24 -0.056 -14.383 2.341 1.00 0.00 C ATOM 382 OG SER A 24 -0.386 -14.673 3.697 1.00 0.00 O ATOM 0 H SER A 24 0.567 -12.812 0.411 1.00 0.00 H new ATOM 0 HA SER A 24 -1.946 -13.762 1.565 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.131 -15.294 1.747 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.980 -14.049 2.283 1.00 0.00 H new ATOM 0 HG SER A 24 0.219 -15.363 4.040 1.00 0.00 H new ATOM 388 N LEU A 25 -2.182 -12.233 3.530 1.00 0.00 N ATOM 389 CA LEU A 25 -2.460 -11.200 4.512 1.00 0.00 C ATOM 390 C LEU A 25 -1.167 -10.840 5.248 1.00 0.00 C ATOM 391 O LEU A 25 -0.872 -9.664 5.453 1.00 0.00 O ATOM 392 CB LEU A 25 -3.595 -11.633 5.441 1.00 0.00 C ATOM 393 CG LEU A 25 -3.717 -10.864 6.757 1.00 0.00 C ATOM 394 CD1 LEU A 25 -4.129 -9.412 6.508 1.00 0.00 C ATOM 395 CD2 LEU A 25 -4.669 -11.572 7.721 1.00 0.00 C ATOM 0 H LEU A 25 -2.850 -13.003 3.521 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.811 -10.293 4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.536 -11.539 4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.465 -12.690 5.672 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.736 -10.844 7.231 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.208 -8.888 7.460 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.379 -8.923 5.886 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.093 -9.389 6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.737 -11.003 8.648 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.657 -11.646 7.268 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.292 -12.572 7.935 1.00 0.00 H new ATOM 407 N ALA A 26 -0.431 -11.875 5.624 1.00 0.00 N ATOM 408 CA ALA A 26 0.823 -11.684 6.332 1.00 0.00 C ATOM 409 C ALA A 26 1.764 -10.836 5.475 1.00 0.00 C ATOM 410 O ALA A 26 2.424 -9.930 5.980 1.00 0.00 O ATOM 411 CB ALA A 26 1.424 -13.047 6.685 1.00 0.00 C ATOM 0 H ALA A 26 -0.679 -12.849 5.452 1.00 0.00 H new ATOM 0 HA ALA A 26 0.657 -11.149 7.267 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.365 -12.903 7.216 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.729 -13.598 7.320 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.606 -13.612 5.771 1.00 0.00 H new ATOM 417 N ASP A 27 1.797 -11.163 4.191 1.00 0.00 N ATOM 418 CA ASP A 27 2.647 -10.443 3.257 1.00 0.00 C ATOM 419 C ASP A 27 2.169 -8.993 3.153 1.00 0.00 C ATOM 420 O ASP A 27 2.981 -8.074 3.050 1.00 0.00 O ATOM 421 CB ASP A 27 2.581 -11.063 1.860 1.00 0.00 C ATOM 422 CG ASP A 27 3.151 -12.479 1.754 1.00 0.00 C ATOM 423 OD1 ASP A 27 3.647 -12.970 2.791 1.00 0.00 O ATOM 424 OD2 ASP A 27 3.078 -13.038 0.638 1.00 0.00 O ATOM 0 H ASP A 27 1.249 -11.916 3.776 1.00 0.00 H new ATOM 0 HA ASP A 27 3.671 -10.494 3.626 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.541 -11.081 1.536 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.120 -10.418 1.166 1.00 0.00 H new ATOM 429 N TRP A 28 0.855 -8.832 3.186 1.00 0.00 N ATOM 430 CA TRP A 28 0.260 -7.510 3.096 1.00 0.00 C ATOM 431 C TRP A 28 0.695 -6.711 4.326 1.00 0.00 C ATOM 432 O TRP A 28 1.340 -5.671 4.199 1.00 0.00 O ATOM 433 CB TRP A 28 -1.261 -7.602 2.952 1.00 0.00 C ATOM 434 CG TRP A 28 -1.734 -7.906 1.528 1.00 0.00 C ATOM 435 CD1 TRP A 28 -2.503 -8.921 1.114 1.00 0.00 C ATOM 436 CD2 TRP A 28 -1.433 -7.142 0.341 1.00 0.00 C ATOM 437 NE1 TRP A 28 -2.721 -8.867 -0.248 1.00 0.00 N ATOM 438 CE2 TRP A 28 -2.049 -7.751 -0.733 1.00 0.00 C ATOM 439 CE3 TRP A 28 -0.667 -5.974 0.180 1.00 0.00 C ATOM 440 CZ2 TRP A 28 -1.962 -7.266 -2.043 1.00 0.00 C ATOM 441 CZ3 TRP A 28 -0.590 -5.501 -1.135 1.00 0.00 C ATOM 442 CH2 TRP A 28 -1.204 -6.104 -2.227 1.00 0.00 C ATOM 0 H TRP A 28 0.185 -9.596 3.274 1.00 0.00 H new ATOM 0 HA TRP A 28 0.607 -6.991 2.202 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.633 -8.378 3.621 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.704 -6.661 3.278 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.902 -9.686 1.764 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.274 -9.525 -0.798 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.177 -5.481 1.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.453 -7.762 -2.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.014 -4.605 -1.314 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.096 -5.677 -3.213 1.00 0.00 H new ATOM 453 N VAL A 29 0.327 -7.229 5.489 1.00 0.00 N ATOM 454 CA VAL A 29 0.672 -6.576 6.741 1.00 0.00 C ATOM 455 C VAL A 29 2.178 -6.307 6.772 1.00 0.00 C ATOM 456 O VAL A 29 2.604 -5.156 6.869 1.00 0.00 O ATOM 457 CB VAL A 29 0.192 -7.422 7.922 1.00 0.00 C ATOM 458 CG1 VAL A 29 0.902 -7.013 9.214 1.00 0.00 C ATOM 459 CG2 VAL A 29 -1.327 -7.334 8.078 1.00 0.00 C ATOM 0 H VAL A 29 -0.206 -8.093 5.591 1.00 0.00 H new ATOM 0 HA VAL A 29 0.167 -5.613 6.822 1.00 0.00 H new ATOM 0 HB VAL A 29 0.447 -8.461 7.715 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.542 -7.630 10.038 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.977 -7.153 9.098 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.693 -5.965 9.428 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.642 -7.944 8.924 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.616 -6.297 8.251 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.808 -7.698 7.170 1.00 0.00 H new ATOM 469 N CYS A 30 2.943 -7.385 6.688 1.00 0.00 N ATOM 470 CA CYS A 30 4.391 -7.279 6.705 1.00 0.00 C ATOM 471 C CYS A 30 4.807 -6.207 5.696 1.00 0.00 C ATOM 472 O CYS A 30 5.645 -5.358 5.996 1.00 0.00 O ATOM 473 CB CYS A 30 5.060 -8.624 6.416 1.00 0.00 C ATOM 474 SG CYS A 30 5.450 -8.925 4.654 1.00 0.00 S ATOM 0 H CYS A 30 2.586 -8.337 6.608 1.00 0.00 H new ATOM 0 HA CYS A 30 4.724 -6.988 7.701 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.982 -8.686 6.993 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.407 -9.422 6.770 1.00 0.00 H new ATOM 479 N LEU A 31 4.201 -6.280 4.520 1.00 0.00 N ATOM 480 CA LEU A 31 4.498 -5.326 3.465 1.00 0.00 C ATOM 481 C LEU A 31 4.211 -3.910 3.968 1.00 0.00 C ATOM 482 O LEU A 31 5.126 -3.102 4.113 1.00 0.00 O ATOM 483 CB LEU A 31 3.740 -5.689 2.186 1.00 0.00 C ATOM 484 CG LEU A 31 3.668 -4.597 1.116 1.00 0.00 C ATOM 485 CD1 LEU A 31 5.034 -4.381 0.461 1.00 0.00 C ATOM 486 CD2 LEU A 31 2.581 -4.910 0.086 1.00 0.00 C ATOM 0 H LEU A 31 3.506 -6.985 4.275 1.00 0.00 H new ATOM 0 HA LEU A 31 5.556 -5.364 3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.209 -6.570 1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.723 -5.971 2.458 1.00 0.00 H new ATOM 0 HG LEU A 31 3.392 -3.661 1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.955 -3.600 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.757 -4.081 1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.363 -5.308 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.551 -4.119 -0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.802 -5.861 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.614 -4.974 0.585 1.00 0.00 H new ATOM 498 N ALA A 32 2.936 -3.654 4.220 1.00 0.00 N ATOM 499 CA ALA A 32 2.517 -2.349 4.705 1.00 0.00 C ATOM 500 C ALA A 32 3.367 -1.962 5.917 1.00 0.00 C ATOM 501 O ALA A 32 3.570 -0.779 6.186 1.00 0.00 O ATOM 502 CB ALA A 32 1.023 -2.379 5.027 1.00 0.00 C ATOM 0 H ALA A 32 2.179 -4.327 4.098 1.00 0.00 H new ATOM 0 HA ALA A 32 2.670 -1.589 3.939 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.709 -1.400 5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.462 -2.629 4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.831 -3.130 5.794 1.00 0.00 H new ATOM 508 N GLN A 33 3.843 -2.983 6.616 1.00 0.00 N ATOM 509 CA GLN A 33 4.666 -2.765 7.793 1.00 0.00 C ATOM 510 C GLN A 33 6.023 -2.183 7.391 1.00 0.00 C ATOM 511 O GLN A 33 6.441 -1.153 7.917 1.00 0.00 O ATOM 512 CB GLN A 33 4.839 -4.060 8.589 1.00 0.00 C ATOM 513 CG GLN A 33 5.213 -3.765 10.043 1.00 0.00 C ATOM 514 CD GLN A 33 6.467 -4.539 10.454 1.00 0.00 C ATOM 515 OE1 GLN A 33 6.598 -5.729 10.220 1.00 0.00 O ATOM 516 NE2 GLN A 33 7.377 -3.799 11.081 1.00 0.00 N ATOM 0 H GLN A 33 3.674 -3.963 6.389 1.00 0.00 H new ATOM 0 HA GLN A 33 4.160 -2.046 8.438 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.914 -4.636 8.558 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.613 -4.674 8.128 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.384 -2.696 10.169 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.384 -4.035 10.697 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.203 -2.807 11.245 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.249 -4.223 11.398 1.00 0.00 H new ATOM 525 N HIS A 34 6.673 -2.868 6.462 1.00 0.00 N ATOM 526 CA HIS A 34 7.974 -2.432 5.983 1.00 0.00 C ATOM 527 C HIS A 34 7.806 -1.200 5.092 1.00 0.00 C ATOM 528 O HIS A 34 8.757 -0.450 4.879 1.00 0.00 O ATOM 529 CB HIS A 34 8.706 -3.577 5.281 1.00 0.00 C ATOM 530 CG HIS A 34 10.211 -3.469 5.335 1.00 0.00 C ATOM 531 ND1 HIS A 34 10.866 -2.477 6.044 1.00 0.00 N ATOM 532 CD2 HIS A 34 11.181 -4.239 4.764 1.00 0.00 C ATOM 533 CE1 HIS A 34 12.171 -2.650 5.898 1.00 0.00 C ATOM 534 NE2 HIS A 34 12.364 -3.743 5.103 1.00 0.00 N ATOM 0 H HIS A 34 6.323 -3.722 6.028 1.00 0.00 H new ATOM 0 HA HIS A 34 8.599 -2.143 6.828 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.403 -4.521 5.735 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.392 -3.610 4.238 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.014 -5.106 4.141 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.946 -2.035 6.331 1.00 0.00 H new ATOM 0 HE2 HIS A 34 13.269 -4.117 4.817 1.00 0.00 H new ATOM 543 N GLU A 35 6.590 -1.031 4.595 1.00 0.00 N ATOM 544 CA GLU A 35 6.286 0.097 3.731 1.00 0.00 C ATOM 545 C GLU A 35 6.212 1.389 4.549 1.00 0.00 C ATOM 546 O GLU A 35 6.994 2.312 4.331 1.00 0.00 O ATOM 547 CB GLU A 35 4.984 -0.137 2.960 1.00 0.00 C ATOM 548 CG GLU A 35 5.122 -1.323 2.002 1.00 0.00 C ATOM 549 CD GLU A 35 5.496 -0.850 0.595 1.00 0.00 C ATOM 550 OE1 GLU A 35 6.696 -0.568 0.391 1.00 0.00 O ATOM 551 OE2 GLU A 35 4.571 -0.783 -0.244 1.00 0.00 O ATOM 0 H GLU A 35 5.804 -1.656 4.774 1.00 0.00 H new ATOM 0 HA GLU A 35 7.090 0.196 3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.170 -0.323 3.661 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.723 0.760 2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.883 -2.009 2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.184 -1.877 1.966 1.00 0.00 H new ATOM 558 N SER A 36 5.265 1.411 5.476 1.00 0.00 N ATOM 559 CA SER A 36 5.080 2.572 6.328 1.00 0.00 C ATOM 560 C SER A 36 4.445 2.152 7.655 1.00 0.00 C ATOM 561 O SER A 36 5.106 2.153 8.692 1.00 0.00 O ATOM 562 CB SER A 36 4.215 3.630 5.639 1.00 0.00 C ATOM 563 OG SER A 36 4.788 4.931 5.730 1.00 0.00 O ATOM 0 H SER A 36 4.618 0.643 5.655 1.00 0.00 H new ATOM 0 HA SER A 36 6.058 3.011 6.523 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.084 3.364 4.590 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.223 3.638 6.092 1.00 0.00 H new ATOM 0 HG SER A 36 4.097 5.575 5.990 1.00 0.00 H new ATOM 569 N ASN A 37 3.169 1.803 7.580 1.00 0.00 N ATOM 570 CA ASN A 37 2.438 1.381 8.763 1.00 0.00 C ATOM 571 C ASN A 37 2.188 2.593 9.663 1.00 0.00 C ATOM 572 O ASN A 37 2.731 3.671 9.422 1.00 0.00 O ATOM 573 CB ASN A 37 3.236 0.351 9.566 1.00 0.00 C ATOM 574 CG ASN A 37 2.303 -0.566 10.360 1.00 0.00 C ATOM 575 OD1 ASN A 37 1.089 -0.454 10.310 1.00 0.00 O ATOM 576 ND2 ASN A 37 2.937 -1.475 11.095 1.00 0.00 N ATOM 0 H ASN A 37 2.623 1.804 6.719 1.00 0.00 H new ATOM 0 HA ASN A 37 1.499 0.934 8.437 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.850 -0.245 8.891 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.916 0.863 10.247 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.404 -2.134 11.663 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.956 -1.514 11.091 1.00 0.00 H new ATOM 583 N TYR A 38 1.369 2.375 10.681 1.00 0.00 N ATOM 584 CA TYR A 38 1.043 3.437 11.618 1.00 0.00 C ATOM 585 C TYR A 38 0.363 4.608 10.905 1.00 0.00 C ATOM 586 O TYR A 38 -0.736 4.462 10.372 1.00 0.00 O ATOM 587 CB TYR A 38 2.376 3.913 12.199 1.00 0.00 C ATOM 588 CG TYR A 38 3.154 2.826 12.943 1.00 0.00 C ATOM 589 CD1 TYR A 38 2.608 2.232 14.063 1.00 0.00 C ATOM 590 CD2 TYR A 38 4.401 2.440 12.495 1.00 0.00 C ATOM 591 CE1 TYR A 38 3.341 1.208 14.763 1.00 0.00 C ATOM 592 CE2 TYR A 38 5.133 1.417 13.196 1.00 0.00 C ATOM 593 CZ TYR A 38 4.567 0.852 14.296 1.00 0.00 C ATOM 594 OH TYR A 38 5.258 -0.114 14.957 1.00 0.00 O ATOM 0 H TYR A 38 0.922 1.480 10.878 1.00 0.00 H new ATOM 0 HA TYR A 38 0.359 3.074 12.385 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.996 4.300 11.390 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.188 4.742 12.881 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.633 2.534 14.414 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.828 2.905 11.619 1.00 0.00 H new ATOM 0 HE1 TYR A 38 2.925 0.734 15.640 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.110 1.105 12.856 1.00 0.00 H new ATOM 0 HH TYR A 38 6.117 -0.266 14.510 1.00 0.00 H new ATOM 604 N ASN A 39 1.045 5.744 10.919 1.00 0.00 N ATOM 605 CA ASN A 39 0.521 6.939 10.281 1.00 0.00 C ATOM 606 C ASN A 39 0.929 6.945 8.806 1.00 0.00 C ATOM 607 O ASN A 39 2.094 6.726 8.480 1.00 0.00 O ATOM 608 CB ASN A 39 1.086 8.204 10.932 1.00 0.00 C ATOM 609 CG ASN A 39 2.528 7.986 11.394 1.00 0.00 C ATOM 610 OD1 ASN A 39 3.390 7.560 10.642 1.00 0.00 O ATOM 611 ND2 ASN A 39 2.741 8.300 12.668 1.00 0.00 N ATOM 0 H ASN A 39 1.956 5.862 11.362 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.564 6.931 10.389 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.049 9.030 10.222 1.00 0.00 H new ATOM 0 HB3 ASN A 39 0.467 8.487 11.783 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.671 8.189 13.072 1.00 0.00 H new ATOM 0 HD22 ASN A 39 1.974 8.652 13.242 1.00 0.00 H new ATOM 618 N THR A 40 -0.055 7.197 7.954 1.00 0.00 N ATOM 619 CA THR A 40 0.187 7.234 6.522 1.00 0.00 C ATOM 620 C THR A 40 0.734 8.602 6.108 1.00 0.00 C ATOM 621 O THR A 40 0.118 9.305 5.310 1.00 0.00 O ATOM 622 CB THR A 40 -1.117 6.862 5.814 1.00 0.00 C ATOM 623 OG1 THR A 40 -1.933 8.021 5.955 1.00 0.00 O ATOM 624 CG2 THR A 40 -1.892 5.768 6.551 1.00 0.00 C ATOM 0 H THR A 40 -1.021 7.377 8.228 1.00 0.00 H new ATOM 0 HA THR A 40 0.950 6.513 6.231 1.00 0.00 H new ATOM 0 HB THR A 40 -0.896 6.530 4.800 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.571 8.745 5.403 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.809 5.542 6.006 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.278 4.870 6.618 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.142 6.112 7.555 1.00 0.00 H new ATOM 632 N ARG A 41 1.885 8.937 6.671 1.00 0.00 N ATOM 633 CA ARG A 41 2.523 10.208 6.371 1.00 0.00 C ATOM 634 C ARG A 41 3.508 10.048 5.212 1.00 0.00 C ATOM 635 O ARG A 41 4.081 11.028 4.740 1.00 0.00 O ATOM 636 CB ARG A 41 3.267 10.754 7.592 1.00 0.00 C ATOM 637 CG ARG A 41 3.558 12.247 7.434 1.00 0.00 C ATOM 638 CD ARG A 41 3.083 13.031 8.659 1.00 0.00 C ATOM 639 NE ARG A 41 3.010 14.474 8.340 1.00 0.00 N ATOM 640 CZ ARG A 41 4.054 15.311 8.404 1.00 0.00 C ATOM 641 NH1 ARG A 41 5.258 14.854 8.777 1.00 0.00 N ATOM 642 NH2 ARG A 41 3.896 16.606 8.097 1.00 0.00 N ATOM 0 H ARG A 41 2.393 8.351 7.333 1.00 0.00 H new ATOM 0 HA ARG A 41 1.740 10.913 6.092 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.671 10.589 8.489 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.202 10.210 7.726 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.628 12.400 7.293 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.061 12.625 6.541 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.104 12.670 8.975 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.767 12.869 9.492 1.00 0.00 H new ATOM 0 HE ARG A 41 2.108 14.855 8.053 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.379 13.869 9.012 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.053 15.491 8.826 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.980 16.955 7.814 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.692 17.242 8.146 1.00 0.00 H new ATOM 656 N ALA A 42 3.674 8.803 4.786 1.00 0.00 N ATOM 657 CA ALA A 42 4.580 8.502 3.692 1.00 0.00 C ATOM 658 C ALA A 42 4.274 9.428 2.513 1.00 0.00 C ATOM 659 O ALA A 42 3.409 9.129 1.692 1.00 0.00 O ATOM 660 CB ALA A 42 4.455 7.023 3.318 1.00 0.00 C ATOM 0 H ALA A 42 3.196 7.992 5.179 1.00 0.00 H new ATOM 0 HA ALA A 42 5.614 8.677 3.990 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.135 6.797 2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.710 6.407 4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.431 6.811 3.010 1.00 0.00 H new ATOM 666 N THR A 43 5.003 10.534 2.466 1.00 0.00 N ATOM 667 CA THR A 43 4.821 11.505 1.402 1.00 0.00 C ATOM 668 C THR A 43 6.174 12.049 0.938 1.00 0.00 C ATOM 669 O THR A 43 7.032 12.370 1.759 1.00 0.00 O ATOM 670 CB THR A 43 3.871 12.592 1.911 1.00 0.00 C ATOM 671 OG1 THR A 43 4.350 12.884 3.221 1.00 0.00 O ATOM 672 CG2 THR A 43 2.452 12.070 2.139 1.00 0.00 C ATOM 0 H THR A 43 5.721 10.778 3.148 1.00 0.00 H new ATOM 0 HA THR A 43 4.372 11.046 0.521 1.00 0.00 H new ATOM 0 HB THR A 43 3.843 13.414 1.196 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.865 12.339 3.876 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.819 12.881 2.500 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.050 11.686 1.201 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.473 11.270 2.879 1.00 0.00 H new ATOM 680 N ASN A 44 6.323 12.135 -0.375 1.00 0.00 N ATOM 681 CA ASN A 44 7.558 12.635 -0.957 1.00 0.00 C ATOM 682 C ASN A 44 7.252 13.292 -2.305 1.00 0.00 C ATOM 683 O ASN A 44 7.110 12.605 -3.316 1.00 0.00 O ATOM 684 CB ASN A 44 8.551 11.497 -1.200 1.00 0.00 C ATOM 685 CG ASN A 44 9.882 11.772 -0.499 1.00 0.00 C ATOM 686 OD1 ASN A 44 10.257 11.115 0.457 1.00 0.00 O ATOM 687 ND2 ASN A 44 10.574 12.778 -1.027 1.00 0.00 N ATOM 0 H ASN A 44 5.610 11.867 -1.053 1.00 0.00 H new ATOM 0 HA ASN A 44 7.994 13.352 -0.261 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.131 10.559 -0.836 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.718 11.377 -2.271 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.477 13.040 -0.630 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.202 13.288 -1.828 1.00 0.00 H new ATOM 694 N TYR A 45 7.158 14.613 -2.275 1.00 0.00 N ATOM 695 CA TYR A 45 6.872 15.370 -3.482 1.00 0.00 C ATOM 696 C TYR A 45 8.162 15.739 -4.217 1.00 0.00 C ATOM 697 O TYR A 45 9.205 15.927 -3.591 1.00 0.00 O ATOM 698 CB TYR A 45 6.176 16.652 -3.020 1.00 0.00 C ATOM 699 CG TYR A 45 7.012 17.502 -2.060 1.00 0.00 C ATOM 700 CD1 TYR A 45 7.974 18.358 -2.555 1.00 0.00 C ATOM 701 CD2 TYR A 45 6.803 17.412 -0.699 1.00 0.00 C ATOM 702 CE1 TYR A 45 8.760 19.158 -1.652 1.00 0.00 C ATOM 703 CE2 TYR A 45 7.589 18.212 0.204 1.00 0.00 C ATOM 704 CZ TYR A 45 8.529 19.045 -0.317 1.00 0.00 C ATOM 705 OH TYR A 45 9.271 19.801 0.537 1.00 0.00 O ATOM 0 H TYR A 45 7.275 15.179 -1.434 1.00 0.00 H new ATOM 0 HA TYR A 45 6.258 14.784 -4.166 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.924 17.252 -3.894 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.237 16.388 -2.533 1.00 0.00 H new ATOM 0 HD1 TYR A 45 8.138 18.428 -3.620 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.050 16.742 -0.311 1.00 0.00 H new ATOM 0 HE1 TYR A 45 9.516 19.832 -2.027 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.435 18.152 1.271 1.00 0.00 H new ATOM 0 HH TYR A 45 8.996 19.617 1.460 1.00 0.00 H new ATOM 715 N ASN A 46 8.049 15.833 -5.534 1.00 0.00 N ATOM 716 CA ASN A 46 9.193 16.177 -6.360 1.00 0.00 C ATOM 717 C ASN A 46 8.703 16.662 -7.725 1.00 0.00 C ATOM 718 O ASN A 46 8.347 15.856 -8.583 1.00 0.00 O ATOM 719 CB ASN A 46 10.095 14.963 -6.585 1.00 0.00 C ATOM 720 CG ASN A 46 10.759 14.523 -5.277 1.00 0.00 C ATOM 721 OD1 ASN A 46 11.403 15.295 -4.588 1.00 0.00 O ATOM 722 ND2 ASN A 46 10.566 13.241 -4.977 1.00 0.00 N ATOM 0 H ASN A 46 7.183 15.677 -6.049 1.00 0.00 H new ATOM 0 HA ASN A 46 9.758 16.955 -5.847 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.508 14.140 -6.994 1.00 0.00 H new ATOM 0 HB3 ASN A 46 10.861 15.206 -7.322 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.969 12.850 -4.125 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.015 12.649 -5.599 1.00 0.00 H new ATOM 729 N ARG A 47 8.701 17.978 -7.886 1.00 0.00 N ATOM 730 CA ARG A 47 8.262 18.578 -9.133 1.00 0.00 C ATOM 731 C ARG A 47 9.357 18.463 -10.194 1.00 0.00 C ATOM 732 O ARG A 47 9.066 18.375 -11.385 1.00 0.00 O ATOM 733 CB ARG A 47 7.903 20.053 -8.937 1.00 0.00 C ATOM 734 CG ARG A 47 6.725 20.454 -9.827 1.00 0.00 C ATOM 735 CD ARG A 47 5.645 21.173 -9.015 1.00 0.00 C ATOM 736 NE ARG A 47 5.092 22.301 -9.796 1.00 0.00 N ATOM 737 CZ ARG A 47 4.437 23.339 -9.257 1.00 0.00 C ATOM 738 NH1 ARG A 47 4.250 23.396 -7.931 1.00 0.00 N ATOM 739 NH2 ARG A 47 3.970 24.318 -10.043 1.00 0.00 N ATOM 0 H ARG A 47 8.997 18.645 -7.173 1.00 0.00 H new ATOM 0 HA ARG A 47 7.374 18.040 -9.465 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.652 20.234 -7.892 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.767 20.675 -9.169 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.075 21.104 -10.629 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.301 19.567 -10.297 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.849 20.475 -8.755 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.066 21.540 -8.079 1.00 0.00 H new ATOM 0 HE ARG A 47 5.217 22.288 -10.808 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.606 22.650 -7.333 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.752 24.185 -7.520 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.113 24.274 -11.052 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.472 25.108 -9.633 1.00 0.00 H new ATOM 753 N GLY A 48 10.596 18.469 -9.722 1.00 0.00 N ATOM 754 CA GLY A 48 11.737 18.366 -10.616 1.00 0.00 C ATOM 755 C GLY A 48 11.431 17.437 -11.792 1.00 0.00 C ATOM 756 O GLY A 48 11.921 17.650 -12.899 1.00 0.00 O ATOM 0 H GLY A 48 10.834 18.544 -8.733 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.001 19.355 -10.989 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.601 17.991 -10.067 1.00 0.00 H new ATOM 760 N ASP A 49 10.622 16.427 -11.512 1.00 0.00 N ATOM 761 CA ASP A 49 10.243 15.465 -12.533 1.00 0.00 C ATOM 762 C ASP A 49 8.740 15.195 -12.443 1.00 0.00 C ATOM 763 O ASP A 49 8.288 14.083 -12.709 1.00 0.00 O ATOM 764 CB ASP A 49 10.975 14.135 -12.334 1.00 0.00 C ATOM 765 CG ASP A 49 11.554 13.520 -13.610 1.00 0.00 C ATOM 766 OD1 ASP A 49 10.903 13.680 -14.665 1.00 0.00 O ATOM 767 OD2 ASP A 49 12.636 12.903 -13.502 1.00 0.00 O ATOM 0 H ASP A 49 10.218 16.253 -10.592 1.00 0.00 H new ATOM 0 HA ASP A 49 10.508 15.882 -13.504 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.786 14.286 -11.621 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.285 13.421 -11.885 1.00 0.00 H new ATOM 772 N GLN A 50 8.007 16.232 -12.066 1.00 0.00 N ATOM 773 CA GLN A 50 6.563 16.122 -11.938 1.00 0.00 C ATOM 774 C GLN A 50 6.182 14.734 -11.420 1.00 0.00 C ATOM 775 O GLN A 50 5.337 14.059 -12.007 1.00 0.00 O ATOM 776 CB GLN A 50 5.870 16.420 -13.269 1.00 0.00 C ATOM 777 CG GLN A 50 4.396 16.768 -13.053 1.00 0.00 C ATOM 778 CD GLN A 50 4.198 18.283 -12.962 1.00 0.00 C ATOM 779 OE1 GLN A 50 4.255 18.880 -11.900 1.00 0.00 O ATOM 780 NE2 GLN A 50 3.961 18.868 -14.133 1.00 0.00 N ATOM 0 H GLN A 50 8.386 17.153 -11.845 1.00 0.00 H new ATOM 0 HA GLN A 50 6.224 16.865 -11.216 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.374 17.248 -13.768 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.951 15.555 -13.927 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.800 16.368 -13.874 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.037 16.295 -12.139 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.927 18.308 -14.985 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.814 19.876 -14.179 1.00 0.00 H new ATOM 789 N SER A 51 6.822 14.350 -10.325 1.00 0.00 N ATOM 790 CA SER A 51 6.560 13.054 -9.721 1.00 0.00 C ATOM 791 C SER A 51 6.505 13.188 -8.199 1.00 0.00 C ATOM 792 O SER A 51 7.197 14.024 -7.620 1.00 0.00 O ATOM 793 CB SER A 51 7.625 12.033 -10.126 1.00 0.00 C ATOM 794 OG SER A 51 8.852 12.237 -9.431 1.00 0.00 O ATOM 0 H SER A 51 7.521 14.913 -9.841 1.00 0.00 H new ATOM 0 HA SER A 51 5.596 12.696 -10.083 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.257 11.027 -9.925 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.801 12.099 -11.200 1.00 0.00 H new ATOM 0 HG SER A 51 9.505 11.564 -9.716 1.00 0.00 H new ATOM 800 N THR A 52 5.674 12.352 -7.593 1.00 0.00 N ATOM 801 CA THR A 52 5.520 12.367 -6.147 1.00 0.00 C ATOM 802 C THR A 52 5.414 10.939 -5.608 1.00 0.00 C ATOM 803 O THR A 52 4.667 10.123 -6.144 1.00 0.00 O ATOM 804 CB THR A 52 4.306 13.235 -5.811 1.00 0.00 C ATOM 805 OG1 THR A 52 4.829 14.560 -5.764 1.00 0.00 O ATOM 806 CG2 THR A 52 3.786 12.989 -4.393 1.00 0.00 C ATOM 0 H THR A 52 5.101 11.660 -8.076 1.00 0.00 H new ATOM 0 HA THR A 52 6.393 12.801 -5.660 1.00 0.00 H new ATOM 0 HB THR A 52 3.510 13.039 -6.529 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.617 14.622 -6.344 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.924 13.630 -4.205 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.491 11.945 -4.290 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.572 13.217 -3.673 1.00 0.00 H new ATOM 814 N ASP A 53 6.173 10.682 -4.554 1.00 0.00 N ATOM 815 CA ASP A 53 6.174 9.367 -3.935 1.00 0.00 C ATOM 816 C ASP A 53 5.515 9.455 -2.557 1.00 0.00 C ATOM 817 O ASP A 53 6.137 9.903 -1.595 1.00 0.00 O ATOM 818 CB ASP A 53 7.603 8.850 -3.743 1.00 0.00 C ATOM 819 CG ASP A 53 8.381 8.605 -5.037 1.00 0.00 C ATOM 820 OD1 ASP A 53 8.657 9.608 -5.731 1.00 0.00 O ATOM 821 OD2 ASP A 53 8.681 7.422 -5.303 1.00 0.00 O ATOM 0 H ASP A 53 6.792 11.362 -4.112 1.00 0.00 H new ATOM 0 HA ASP A 53 5.628 8.687 -4.588 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.154 9.568 -3.136 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.564 7.918 -3.179 1.00 0.00 H new ATOM 826 N TYR A 54 4.264 9.021 -2.508 1.00 0.00 N ATOM 827 CA TYR A 54 3.513 9.046 -1.264 1.00 0.00 C ATOM 828 C TYR A 54 2.426 7.968 -1.258 1.00 0.00 C ATOM 829 O TYR A 54 2.107 7.398 -2.301 1.00 0.00 O ATOM 830 CB TYR A 54 2.849 10.423 -1.200 1.00 0.00 C ATOM 831 CG TYR A 54 1.580 10.543 -2.046 1.00 0.00 C ATOM 832 CD1 TYR A 54 1.566 10.062 -3.340 1.00 0.00 C ATOM 833 CD2 TYR A 54 0.449 11.131 -1.517 1.00 0.00 C ATOM 834 CE1 TYR A 54 0.372 10.173 -4.137 1.00 0.00 C ATOM 835 CE2 TYR A 54 -0.745 11.243 -2.314 1.00 0.00 C ATOM 836 CZ TYR A 54 -0.724 10.759 -3.585 1.00 0.00 C ATOM 837 OH TYR A 54 -1.851 10.865 -4.338 1.00 0.00 O ATOM 0 H TYR A 54 3.752 8.650 -3.309 1.00 0.00 H new ATOM 0 HA TYR A 54 4.170 8.859 -0.415 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.604 10.649 -0.162 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.565 11.176 -1.529 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.451 9.602 -3.755 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.460 11.507 -0.505 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.347 9.799 -5.150 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.637 11.701 -1.912 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.596 10.428 -3.875 1.00 0.00 H new ATOM 847 N GLY A 55 1.889 7.722 -0.073 1.00 0.00 N ATOM 848 CA GLY A 55 0.845 6.722 0.083 1.00 0.00 C ATOM 849 C GLY A 55 1.212 5.711 1.170 1.00 0.00 C ATOM 850 O GLY A 55 2.383 5.560 1.514 1.00 0.00 O ATOM 0 H GLY A 55 2.157 8.197 0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.096 7.210 0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.689 6.204 -0.863 1.00 0.00 H new ATOM 854 N ILE A 56 0.188 5.044 1.683 1.00 0.00 N ATOM 855 CA ILE A 56 0.387 4.051 2.725 1.00 0.00 C ATOM 856 C ILE A 56 1.460 3.056 2.277 1.00 0.00 C ATOM 857 O ILE A 56 2.249 2.579 3.091 1.00 0.00 O ATOM 858 CB ILE A 56 -0.942 3.395 3.101 1.00 0.00 C ATOM 859 CG1 ILE A 56 -0.790 2.529 4.353 1.00 0.00 C ATOM 860 CG2 ILE A 56 -1.516 2.605 1.924 1.00 0.00 C ATOM 861 CD1 ILE A 56 -0.463 3.386 5.577 1.00 0.00 C ATOM 0 H ILE A 56 -0.782 5.172 1.396 1.00 0.00 H new ATOM 0 HA ILE A 56 0.751 4.524 3.637 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.657 4.183 3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.711 1.974 4.529 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.000 1.794 4.198 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.461 2.149 2.218 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.684 3.277 1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.812 1.826 1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.360 2.745 6.453 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.471 3.921 5.407 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.267 4.103 5.744 1.00 0.00 H new ATOM 873 N PHE A 57 1.454 2.772 0.983 1.00 0.00 N ATOM 874 CA PHE A 57 2.417 1.842 0.417 1.00 0.00 C ATOM 875 C PHE A 57 3.436 2.574 -0.460 1.00 0.00 C ATOM 876 O PHE A 57 4.005 1.986 -1.379 1.00 0.00 O ATOM 877 CB PHE A 57 1.629 0.857 -0.450 1.00 0.00 C ATOM 878 CG PHE A 57 0.782 -0.135 0.348 1.00 0.00 C ATOM 879 CD1 PHE A 57 1.383 -1.132 1.050 1.00 0.00 C ATOM 880 CD2 PHE A 57 -0.573 -0.020 0.355 1.00 0.00 C ATOM 881 CE1 PHE A 57 0.596 -2.053 1.791 1.00 0.00 C ATOM 882 CE2 PHE A 57 -1.360 -0.940 1.096 1.00 0.00 C ATOM 883 CZ PHE A 57 -0.759 -1.937 1.799 1.00 0.00 C ATOM 0 H PHE A 57 0.798 3.169 0.310 1.00 0.00 H new ATOM 0 HA PHE A 57 2.961 1.337 1.215 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.978 1.419 -1.119 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.327 0.301 -1.076 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.459 -1.224 1.044 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.050 0.772 -0.203 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.073 -2.845 2.348 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.436 -0.848 1.102 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.358 -2.637 2.364 1.00 0.00 H new ATOM 893 N GLN A 58 3.635 3.845 -0.144 1.00 0.00 N ATOM 894 CA GLN A 58 4.575 4.662 -0.891 1.00 0.00 C ATOM 895 C GLN A 58 4.442 4.389 -2.391 1.00 0.00 C ATOM 896 O GLN A 58 5.119 3.514 -2.928 1.00 0.00 O ATOM 897 CB GLN A 58 6.009 4.422 -0.416 1.00 0.00 C ATOM 898 CG GLN A 58 6.920 5.587 -0.809 1.00 0.00 C ATOM 899 CD GLN A 58 7.563 6.222 0.427 1.00 0.00 C ATOM 900 OE1 GLN A 58 7.885 5.559 1.400 1.00 0.00 O ATOM 901 NE2 GLN A 58 7.731 7.538 0.334 1.00 0.00 N ATOM 0 H GLN A 58 3.161 4.329 0.619 1.00 0.00 H new ATOM 0 HA GLN A 58 4.338 5.710 -0.710 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.021 4.296 0.667 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.389 3.497 -0.849 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.697 5.233 -1.486 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.344 6.338 -1.350 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.439 8.031 -0.510 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.152 8.054 1.106 1.00 0.00 H new ATOM 910 N ILE A 59 3.564 5.154 -3.024 1.00 0.00 N ATOM 911 CA ILE A 59 3.333 5.005 -4.451 1.00 0.00 C ATOM 912 C ILE A 59 3.699 6.310 -5.161 1.00 0.00 C ATOM 913 O ILE A 59 3.619 7.385 -4.571 1.00 0.00 O ATOM 914 CB ILE A 59 1.899 4.542 -4.716 1.00 0.00 C ATOM 915 CG1 ILE A 59 1.676 3.122 -4.189 1.00 0.00 C ATOM 916 CG2 ILE A 59 1.550 4.663 -6.201 1.00 0.00 C ATOM 917 CD1 ILE A 59 0.219 2.919 -3.764 1.00 0.00 C ATOM 0 H ILE A 59 3.004 5.879 -2.575 1.00 0.00 H new ATOM 0 HA ILE A 59 3.976 4.227 -4.862 1.00 0.00 H new ATOM 0 HB ILE A 59 1.221 5.199 -4.171 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.938 2.398 -4.961 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.335 2.937 -3.341 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.526 4.328 -6.362 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.645 5.703 -6.514 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.231 4.045 -6.786 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.086 1.903 -3.393 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.032 3.628 -2.976 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.436 3.081 -4.620 1.00 0.00 H new ATOM 929 N ASN A 60 4.093 6.171 -6.418 1.00 0.00 N ATOM 930 CA ASN A 60 4.472 7.326 -7.215 1.00 0.00 C ATOM 931 C ASN A 60 3.231 7.892 -7.907 1.00 0.00 C ATOM 932 O ASN A 60 2.441 7.144 -8.483 1.00 0.00 O ATOM 933 CB ASN A 60 5.483 6.940 -8.298 1.00 0.00 C ATOM 934 CG ASN A 60 6.885 7.434 -7.940 1.00 0.00 C ATOM 935 OD1 ASN A 60 7.773 6.669 -7.600 1.00 0.00 O ATOM 936 ND2 ASN A 60 7.035 8.752 -8.035 1.00 0.00 N ATOM 0 H ASN A 60 4.158 5.277 -6.904 1.00 0.00 H new ATOM 0 HA ASN A 60 4.921 8.063 -6.549 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.495 5.857 -8.420 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.177 7.365 -9.254 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.935 9.180 -7.817 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.250 9.335 -8.326 1.00 0.00 H new ATOM 943 N SER A 61 3.096 9.208 -7.827 1.00 0.00 N ATOM 944 CA SER A 61 1.963 9.883 -8.438 1.00 0.00 C ATOM 945 C SER A 61 2.308 10.288 -9.872 1.00 0.00 C ATOM 946 O SER A 61 1.526 10.972 -10.532 1.00 0.00 O ATOM 947 CB SER A 61 1.549 11.110 -7.624 1.00 0.00 C ATOM 948 OG SER A 61 0.575 11.897 -8.303 1.00 0.00 O ATOM 0 H SER A 61 3.752 9.825 -7.348 1.00 0.00 H new ATOM 0 HA SER A 61 1.120 9.192 -8.455 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.149 10.789 -6.662 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.428 11.721 -7.416 1.00 0.00 H new ATOM 0 HG SER A 61 -0.307 11.482 -8.205 1.00 0.00 H new ATOM 954 N ARG A 62 3.478 9.848 -10.313 1.00 0.00 N ATOM 955 CA ARG A 62 3.934 10.157 -11.658 1.00 0.00 C ATOM 956 C ARG A 62 3.444 9.094 -12.642 1.00 0.00 C ATOM 957 O ARG A 62 3.480 9.301 -13.854 1.00 0.00 O ATOM 958 CB ARG A 62 5.461 10.230 -11.716 1.00 0.00 C ATOM 959 CG ARG A 62 5.962 10.079 -13.155 1.00 0.00 C ATOM 960 CD ARG A 62 7.355 10.691 -13.318 1.00 0.00 C ATOM 961 NE ARG A 62 7.845 10.474 -14.697 1.00 0.00 N ATOM 962 CZ ARG A 62 8.469 9.361 -15.106 1.00 0.00 C ATOM 963 NH1 ARG A 62 8.683 8.357 -14.244 1.00 0.00 N ATOM 964 NH2 ARG A 62 8.879 9.251 -16.376 1.00 0.00 N ATOM 0 H ARG A 62 4.123 9.281 -9.763 1.00 0.00 H new ATOM 0 HA ARG A 62 3.523 11.128 -11.934 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.799 11.182 -11.307 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.890 9.445 -11.093 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.991 9.023 -13.425 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.266 10.564 -13.839 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.320 11.758 -13.099 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.045 10.242 -12.603 1.00 0.00 H new ATOM 0 HE ARG A 62 7.699 11.218 -15.379 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.371 8.440 -13.277 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.158 7.510 -14.556 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.716 10.015 -17.032 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.354 8.404 -16.687 1.00 0.00 H new ATOM 978 N TYR A 63 2.994 7.978 -12.085 1.00 0.00 N ATOM 979 CA TYR A 63 2.496 6.883 -12.898 1.00 0.00 C ATOM 980 C TYR A 63 1.111 6.436 -12.428 1.00 0.00 C ATOM 981 O TYR A 63 0.243 6.129 -13.245 1.00 0.00 O ATOM 982 CB TYR A 63 3.483 5.730 -12.703 1.00 0.00 C ATOM 983 CG TYR A 63 3.856 5.004 -13.997 1.00 0.00 C ATOM 984 CD1 TYR A 63 2.958 4.135 -14.583 1.00 0.00 C ATOM 985 CD2 TYR A 63 5.089 5.217 -14.578 1.00 0.00 C ATOM 986 CE1 TYR A 63 3.308 3.451 -15.801 1.00 0.00 C ATOM 987 CE2 TYR A 63 5.439 4.533 -15.796 1.00 0.00 C ATOM 988 CZ TYR A 63 4.531 3.684 -16.347 1.00 0.00 C ATOM 989 OH TYR A 63 4.862 3.038 -17.498 1.00 0.00 O ATOM 0 H TYR A 63 2.964 7.810 -11.079 1.00 0.00 H new ATOM 0 HA TYR A 63 2.410 7.189 -13.941 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.391 6.117 -12.241 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.053 5.011 -12.006 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.993 3.968 -14.128 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.792 5.897 -14.119 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.615 2.769 -16.270 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.401 4.691 -16.261 1.00 0.00 H new ATOM 0 HH TYR A 63 5.765 3.302 -17.773 1.00 0.00 H new ATOM 999 N TRP A 64 0.945 6.415 -11.114 1.00 0.00 N ATOM 1000 CA TRP A 64 -0.321 6.011 -10.525 1.00 0.00 C ATOM 1001 C TRP A 64 -1.015 7.265 -9.990 1.00 0.00 C ATOM 1002 O TRP A 64 -0.365 8.280 -9.740 1.00 0.00 O ATOM 1003 CB TRP A 64 -0.110 4.940 -9.453 1.00 0.00 C ATOM 1004 CG TRP A 64 0.520 3.649 -9.978 1.00 0.00 C ATOM 1005 CD1 TRP A 64 1.742 3.163 -9.720 1.00 0.00 C ATOM 1006 CD2 TRP A 64 -0.094 2.692 -10.866 1.00 0.00 C ATOM 1007 NE1 TRP A 64 1.959 1.968 -10.375 1.00 0.00 N ATOM 1008 CE2 TRP A 64 0.807 1.672 -11.094 1.00 0.00 C ATOM 1009 CE3 TRP A 64 -1.370 2.688 -11.458 1.00 0.00 C ATOM 1010 CZ2 TRP A 64 0.530 0.574 -11.917 1.00 0.00 C ATOM 1011 CZ3 TRP A 64 -1.631 1.583 -12.277 1.00 0.00 C ATOM 1012 CH2 TRP A 64 -0.734 0.548 -12.516 1.00 0.00 C ATOM 0 H TRP A 64 1.666 6.671 -10.440 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.965 5.550 -11.274 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.525 5.348 -8.666 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.071 4.703 -8.996 1.00 0.00 H new ATOM 0 HD1 TRP A 64 2.466 3.646 -9.080 1.00 0.00 H new ATOM 0 HE1 TRP A 64 2.809 1.405 -10.338 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.091 3.475 -11.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 1.253 -0.211 -12.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -2.597 1.531 -12.757 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -1.012 -0.272 -13.161 1.00 0.00 H new ATOM 1023 N CYS A 65 -2.325 7.156 -9.830 1.00 0.00 N ATOM 1024 CA CYS A 65 -3.114 8.268 -9.329 1.00 0.00 C ATOM 1025 C CYS A 65 -2.927 9.455 -10.277 1.00 0.00 C ATOM 1026 O CYS A 65 -1.943 9.517 -11.012 1.00 0.00 O ATOM 1027 CB CYS A 65 -2.740 8.623 -7.889 1.00 0.00 C ATOM 1028 SG CYS A 65 -1.529 9.986 -7.724 1.00 0.00 S ATOM 0 H CYS A 65 -2.861 6.313 -10.039 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.167 7.988 -9.303 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.647 8.895 -7.349 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.335 7.735 -7.404 1.00 0.00 H new ATOM 1033 N ASN A 66 -3.887 10.367 -10.229 1.00 0.00 N ATOM 1034 CA ASN A 66 -3.840 11.548 -11.073 1.00 0.00 C ATOM 1035 C ASN A 66 -4.217 12.777 -10.245 1.00 0.00 C ATOM 1036 O ASN A 66 -4.337 12.694 -9.023 1.00 0.00 O ATOM 1037 CB ASN A 66 -4.833 11.436 -12.231 1.00 0.00 C ATOM 1038 CG ASN A 66 -4.313 12.163 -13.472 1.00 0.00 C ATOM 1039 OD1 ASN A 66 -4.985 12.988 -14.068 1.00 0.00 O ATOM 1040 ND2 ASN A 66 -3.080 11.811 -13.828 1.00 0.00 N ATOM 0 H ASN A 66 -4.702 10.311 -9.618 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.829 11.638 -11.471 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.006 10.386 -12.466 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.793 11.858 -11.934 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.643 12.239 -14.644 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.572 11.113 -13.285 1.00 0.00 H new ATOM 1047 N ASP A 67 -4.393 13.890 -10.941 1.00 0.00 N ATOM 1048 CA ASP A 67 -4.754 15.135 -10.286 1.00 0.00 C ATOM 1049 C ASP A 67 -5.921 15.781 -11.034 1.00 0.00 C ATOM 1050 O ASP A 67 -6.890 16.223 -10.419 1.00 0.00 O ATOM 1051 CB ASP A 67 -3.583 16.121 -10.293 1.00 0.00 C ATOM 1052 CG ASP A 67 -3.919 17.526 -9.789 1.00 0.00 C ATOM 1053 OD1 ASP A 67 -5.128 17.801 -9.635 1.00 0.00 O ATOM 1054 OD2 ASP A 67 -2.957 18.294 -9.568 1.00 0.00 O ATOM 0 H ASP A 67 -4.292 13.955 -11.954 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.027 14.907 -9.256 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.780 15.713 -9.679 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.198 16.198 -11.310 1.00 0.00 H new ATOM 1059 N GLY A 68 -5.790 15.817 -12.352 1.00 0.00 N ATOM 1060 CA GLY A 68 -6.823 16.402 -13.191 1.00 0.00 C ATOM 1061 C GLY A 68 -6.435 17.814 -13.635 1.00 0.00 C ATOM 1062 O GLY A 68 -7.165 18.454 -14.389 1.00 0.00 O ATOM 0 H GLY A 68 -4.985 15.451 -12.860 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.985 15.773 -14.067 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -7.765 16.435 -12.644 1.00 0.00 H new ATOM 1066 N LYS A 69 -5.286 18.257 -13.145 1.00 0.00 N ATOM 1067 CA LYS A 69 -4.792 19.582 -13.482 1.00 0.00 C ATOM 1068 C LYS A 69 -3.425 19.456 -14.159 1.00 0.00 C ATOM 1069 O LYS A 69 -2.826 20.457 -14.548 1.00 0.00 O ATOM 1070 CB LYS A 69 -4.783 20.482 -12.244 1.00 0.00 C ATOM 1071 CG LYS A 69 -6.208 20.849 -11.823 1.00 0.00 C ATOM 1072 CD LYS A 69 -6.216 21.540 -10.458 1.00 0.00 C ATOM 1073 CE LYS A 69 -7.582 22.163 -10.166 1.00 0.00 C ATOM 1074 NZ LYS A 69 -7.918 22.029 -8.732 1.00 0.00 N ATOM 0 H LYS A 69 -4.684 17.723 -12.518 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.459 20.066 -14.196 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.277 19.973 -11.424 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.217 21.389 -12.454 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.654 21.506 -12.570 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.822 19.949 -11.783 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.968 20.818 -9.680 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.447 22.312 -10.433 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.575 23.216 -10.447 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.347 21.677 -10.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.848 22.457 -8.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.945 21.022 -8.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.197 22.514 -8.160 1.00 0.00 H new ATOM 1088 N THR A 70 -2.973 18.216 -14.278 1.00 0.00 N ATOM 1089 CA THR A 70 -1.689 17.946 -14.902 1.00 0.00 C ATOM 1090 C THR A 70 -1.840 16.890 -15.999 1.00 0.00 C ATOM 1091 O THR A 70 -1.722 15.695 -15.737 1.00 0.00 O ATOM 1092 CB THR A 70 -0.705 17.541 -13.803 1.00 0.00 C ATOM 1093 OG1 THR A 70 -0.352 18.775 -13.181 1.00 0.00 O ATOM 1094 CG2 THR A 70 0.617 17.014 -14.364 1.00 0.00 C ATOM 0 H THR A 70 -3.473 17.388 -13.953 1.00 0.00 H new ATOM 0 HA THR A 70 -1.298 18.833 -15.399 1.00 0.00 H new ATOM 0 HB THR A 70 -1.160 16.778 -13.172 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.283 18.605 -12.454 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.278 16.741 -13.542 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.426 16.137 -14.982 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.090 17.788 -14.968 1.00 0.00 H new ATOM 1102 N PRO A 71 -2.108 17.384 -17.238 1.00 0.00 N ATOM 1103 CA PRO A 71 -2.278 16.497 -18.377 1.00 0.00 C ATOM 1104 C PRO A 71 -0.930 15.948 -18.850 1.00 0.00 C ATOM 1105 O PRO A 71 -0.561 16.113 -20.011 1.00 0.00 O ATOM 1106 CB PRO A 71 -2.978 17.340 -19.430 1.00 0.00 C ATOM 1107 CG PRO A 71 -2.759 18.787 -19.021 1.00 0.00 C ATOM 1108 CD PRO A 71 -2.256 18.794 -17.587 1.00 0.00 C ATOM 0 HA PRO A 71 -2.868 15.612 -18.137 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.566 17.148 -20.421 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.041 17.104 -19.475 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.036 19.265 -19.682 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -3.688 19.352 -19.103 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -1.307 19.324 -17.503 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.961 19.294 -16.923 1.00 0.00 H new ATOM 1116 N ARG A 72 -0.231 15.306 -17.925 1.00 0.00 N ATOM 1117 CA ARG A 72 1.067 14.731 -18.232 1.00 0.00 C ATOM 1118 C ARG A 72 1.178 13.324 -17.641 1.00 0.00 C ATOM 1119 O ARG A 72 1.382 12.355 -18.371 1.00 0.00 O ATOM 1120 CB ARG A 72 2.199 15.600 -17.679 1.00 0.00 C ATOM 1121 CG ARG A 72 2.903 16.363 -18.801 1.00 0.00 C ATOM 1122 CD ARG A 72 2.462 17.828 -18.829 1.00 0.00 C ATOM 1123 NE ARG A 72 3.414 18.659 -18.058 1.00 0.00 N ATOM 1124 CZ ARG A 72 3.373 19.997 -18.008 1.00 0.00 C ATOM 1125 NH1 ARG A 72 2.429 20.664 -18.683 1.00 0.00 N ATOM 1126 NH2 ARG A 72 4.279 20.668 -17.282 1.00 0.00 N ATOM 0 H ARG A 72 -0.540 15.172 -16.962 1.00 0.00 H new ATOM 0 HA ARG A 72 1.159 14.681 -19.317 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.798 16.305 -16.951 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.919 14.973 -17.153 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.983 16.307 -18.662 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.681 15.894 -19.760 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.410 18.181 -19.859 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.461 17.923 -18.409 1.00 0.00 H new ATOM 0 HE ARG A 72 4.147 18.183 -17.532 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.740 20.153 -19.236 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.398 21.683 -18.645 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.999 20.160 -16.768 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.248 21.687 -17.243 1.00 0.00 H new ATOM 1140 N ALA A 73 1.040 13.256 -16.325 1.00 0.00 N ATOM 1141 CA ALA A 73 1.122 11.985 -15.628 1.00 0.00 C ATOM 1142 C ALA A 73 0.266 10.950 -16.361 1.00 0.00 C ATOM 1143 O ALA A 73 -0.604 11.308 -17.153 1.00 0.00 O ATOM 1144 CB ALA A 73 0.691 12.171 -14.172 1.00 0.00 C ATOM 0 H ALA A 73 0.872 14.062 -15.723 1.00 0.00 H new ATOM 0 HA ALA A 73 2.148 11.618 -15.620 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.753 11.216 -13.649 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.348 12.893 -13.687 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.336 12.536 -14.140 1.00 0.00 H new ATOM 1150 N VAL A 74 0.545 9.687 -16.073 1.00 0.00 N ATOM 1151 CA VAL A 74 -0.189 8.597 -16.695 1.00 0.00 C ATOM 1152 C VAL A 74 -0.878 7.768 -15.611 1.00 0.00 C ATOM 1153 O VAL A 74 -0.590 6.583 -15.453 1.00 0.00 O ATOM 1154 CB VAL A 74 0.750 7.769 -17.575 1.00 0.00 C ATOM 1155 CG1 VAL A 74 1.933 7.237 -16.763 1.00 0.00 C ATOM 1156 CG2 VAL A 74 -0.004 6.628 -18.259 1.00 0.00 C ATOM 0 H VAL A 74 1.269 9.394 -15.417 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.968 8.986 -17.350 1.00 0.00 H new ATOM 0 HB VAL A 74 1.144 8.422 -18.353 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.585 6.652 -17.411 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.493 8.074 -16.345 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.565 6.606 -15.954 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.686 6.055 -18.878 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.440 5.975 -17.503 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.797 7.039 -18.884 1.00 0.00 H new ATOM 1166 N ASN A 75 -1.776 8.424 -14.890 1.00 0.00 N ATOM 1167 CA ASN A 75 -2.511 7.762 -13.825 1.00 0.00 C ATOM 1168 C ASN A 75 -3.084 6.443 -14.350 1.00 0.00 C ATOM 1169 O ASN A 75 -4.098 6.437 -15.045 1.00 0.00 O ATOM 1170 CB ASN A 75 -3.677 8.625 -13.340 1.00 0.00 C ATOM 1171 CG ASN A 75 -4.461 9.202 -14.521 1.00 0.00 C ATOM 1172 OD1 ASN A 75 -3.909 9.563 -15.547 1.00 0.00 O ATOM 1173 ND2 ASN A 75 -5.773 9.267 -14.318 1.00 0.00 N ATOM 0 H ASN A 75 -2.011 9.408 -15.023 1.00 0.00 H new ATOM 0 HA ASN A 75 -1.823 7.590 -12.998 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -4.341 8.028 -12.715 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.299 9.437 -12.718 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.384 9.637 -15.046 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.169 8.947 -13.434 1.00 0.00 H new ATOM 1180 N ALA A 76 -2.409 5.359 -13.996 1.00 0.00 N ATOM 1181 CA ALA A 76 -2.839 4.039 -14.422 1.00 0.00 C ATOM 1182 C ALA A 76 -3.865 3.494 -13.426 1.00 0.00 C ATOM 1183 O ALA A 76 -4.509 2.479 -13.684 1.00 0.00 O ATOM 1184 CB ALA A 76 -1.620 3.125 -14.561 1.00 0.00 C ATOM 0 H ALA A 76 -1.568 5.368 -13.419 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.322 4.090 -15.398 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -1.943 2.134 -14.881 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.936 3.540 -15.301 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.111 3.048 -13.600 1.00 0.00 H new ATOM 1190 N CYS A 77 -3.984 4.194 -12.307 1.00 0.00 N ATOM 1191 CA CYS A 77 -4.921 3.794 -11.270 1.00 0.00 C ATOM 1192 C CYS A 77 -6.268 4.462 -11.556 1.00 0.00 C ATOM 1193 O CYS A 77 -7.320 3.854 -11.360 1.00 0.00 O ATOM 1194 CB CYS A 77 -4.399 4.136 -9.873 1.00 0.00 C ATOM 1195 SG CYS A 77 -5.303 3.335 -8.498 1.00 0.00 S ATOM 0 H CYS A 77 -3.447 5.035 -12.096 1.00 0.00 H new ATOM 0 HA CYS A 77 -5.043 2.711 -11.285 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -3.349 3.851 -9.813 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -4.444 5.217 -9.738 1.00 0.00 H new ATOM 1200 N GLY A 78 -6.192 5.703 -12.013 1.00 0.00 N ATOM 1201 CA GLY A 78 -7.392 6.459 -12.327 1.00 0.00 C ATOM 1202 C GLY A 78 -8.169 6.808 -11.056 1.00 0.00 C ATOM 1203 O GLY A 78 -9.338 6.452 -10.923 1.00 0.00 O ATOM 0 H GLY A 78 -5.318 6.204 -12.173 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.122 7.374 -12.855 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.026 5.879 -12.998 1.00 0.00 H new ATOM 1207 N ILE A 79 -7.487 7.499 -10.156 1.00 0.00 N ATOM 1208 CA ILE A 79 -8.099 7.899 -8.899 1.00 0.00 C ATOM 1209 C ILE A 79 -7.507 9.237 -8.452 1.00 0.00 C ATOM 1210 O ILE A 79 -6.476 9.667 -8.968 1.00 0.00 O ATOM 1211 CB ILE A 79 -7.962 6.787 -7.858 1.00 0.00 C ATOM 1212 CG1 ILE A 79 -6.963 7.178 -6.766 1.00 0.00 C ATOM 1213 CG2 ILE A 79 -7.595 5.458 -8.520 1.00 0.00 C ATOM 1214 CD1 ILE A 79 -5.539 7.239 -7.322 1.00 0.00 C ATOM 0 H ILE A 79 -6.517 7.793 -10.271 1.00 0.00 H new ATOM 0 HA ILE A 79 -9.171 8.051 -9.028 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.930 6.650 -7.376 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.236 8.147 -6.348 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.008 6.456 -5.951 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.504 4.685 -7.757 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.373 5.178 -9.230 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.646 5.563 -9.045 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -4.849 7.519 -6.526 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.260 6.262 -7.717 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.491 7.980 -8.120 1.00 0.00 H new ATOM 1226 N ASN A 80 -8.184 9.858 -7.497 1.00 0.00 N ATOM 1227 CA ASN A 80 -7.737 11.138 -6.974 1.00 0.00 C ATOM 1228 C ASN A 80 -6.520 10.920 -6.072 1.00 0.00 C ATOM 1229 O ASN A 80 -6.599 10.192 -5.084 1.00 0.00 O ATOM 1230 CB ASN A 80 -8.832 11.804 -6.137 1.00 0.00 C ATOM 1231 CG ASN A 80 -9.878 12.469 -7.034 1.00 0.00 C ATOM 1232 OD1 ASN A 80 -9.874 13.670 -7.250 1.00 0.00 O ATOM 1233 ND2 ASN A 80 -10.772 11.625 -7.541 1.00 0.00 N ATOM 0 H ASN A 80 -9.039 9.499 -7.072 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.489 11.779 -7.820 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.312 11.060 -5.502 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.388 12.548 -5.476 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -11.512 11.972 -8.151 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.718 10.631 -7.320 1.00 0.00 H new ATOM 1240 N CYS A 81 -5.424 11.564 -6.446 1.00 0.00 N ATOM 1241 CA CYS A 81 -4.192 11.449 -5.684 1.00 0.00 C ATOM 1242 C CYS A 81 -4.514 11.707 -4.210 1.00 0.00 C ATOM 1243 O CYS A 81 -3.953 11.060 -3.327 1.00 0.00 O ATOM 1244 CB CYS A 81 -3.112 12.398 -6.207 1.00 0.00 C ATOM 1245 SG CYS A 81 -2.144 11.755 -7.620 1.00 0.00 S ATOM 0 H CYS A 81 -5.364 12.167 -7.266 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.784 10.444 -5.796 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -3.584 13.334 -6.504 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.427 12.631 -5.392 1.00 0.00 H new ATOM 1250 N SER A 82 -5.416 12.653 -3.991 1.00 0.00 N ATOM 1251 CA SER A 82 -5.818 13.003 -2.640 1.00 0.00 C ATOM 1252 C SER A 82 -6.293 11.755 -1.894 1.00 0.00 C ATOM 1253 O SER A 82 -6.282 11.720 -0.665 1.00 0.00 O ATOM 1254 CB SER A 82 -6.921 14.065 -2.652 1.00 0.00 C ATOM 1255 OG SER A 82 -6.388 15.386 -2.668 1.00 0.00 O ATOM 0 H SER A 82 -5.879 13.187 -4.726 1.00 0.00 H new ATOM 0 HA SER A 82 -4.953 13.420 -2.124 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.555 13.919 -3.526 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.555 13.940 -1.774 1.00 0.00 H new ATOM 0 HG SER A 82 -7.122 16.035 -2.677 1.00 0.00 H new ATOM 1261 N ALA A 83 -6.698 10.760 -2.670 1.00 0.00 N ATOM 1262 CA ALA A 83 -7.175 9.512 -2.097 1.00 0.00 C ATOM 1263 C ALA A 83 -6.029 8.829 -1.346 1.00 0.00 C ATOM 1264 O ALA A 83 -6.258 7.909 -0.562 1.00 0.00 O ATOM 1265 CB ALA A 83 -7.753 8.630 -3.206 1.00 0.00 C ATOM 0 H ALA A 83 -6.706 10.792 -3.689 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.974 9.699 -1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.111 7.694 -2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.582 9.148 -3.688 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.979 8.419 -3.943 1.00 0.00 H new ATOM 1271 N LEU A 84 -4.823 9.306 -1.612 1.00 0.00 N ATOM 1272 CA LEU A 84 -3.641 8.754 -0.971 1.00 0.00 C ATOM 1273 C LEU A 84 -3.204 9.679 0.167 1.00 0.00 C ATOM 1274 O LEU A 84 -2.103 9.538 0.697 1.00 0.00 O ATOM 1275 CB LEU A 84 -2.546 8.489 -2.005 1.00 0.00 C ATOM 1276 CG LEU A 84 -2.992 7.793 -3.293 1.00 0.00 C ATOM 1277 CD1 LEU A 84 -1.802 7.544 -4.222 1.00 0.00 C ATOM 1278 CD2 LEU A 84 -3.757 6.505 -2.983 1.00 0.00 C ATOM 0 H LEU A 84 -4.638 10.069 -2.263 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.866 7.785 -0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.087 9.441 -2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.772 7.881 -1.537 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.678 8.456 -3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.146 7.048 -5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.338 8.495 -4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.073 6.910 -3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.063 6.030 -3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.114 5.826 -2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.640 6.740 -2.389 1.00 0.00 H new ATOM 1290 N LEU A 85 -4.088 10.605 0.506 1.00 0.00 N ATOM 1291 CA LEU A 85 -3.806 11.553 1.571 1.00 0.00 C ATOM 1292 C LEU A 85 -5.039 11.686 2.469 1.00 0.00 C ATOM 1293 O LEU A 85 -5.120 12.602 3.285 1.00 0.00 O ATOM 1294 CB LEU A 85 -3.322 12.883 0.990 1.00 0.00 C ATOM 1295 CG LEU A 85 -1.995 13.411 1.537 1.00 0.00 C ATOM 1296 CD1 LEU A 85 -1.390 14.454 0.596 1.00 0.00 C ATOM 1297 CD2 LEU A 85 -2.165 13.951 2.959 1.00 0.00 C ATOM 0 H LEU A 85 -4.999 10.719 0.063 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.992 11.191 2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.228 12.772 -0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.090 13.635 1.168 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.292 12.580 1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.447 14.813 1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.211 14.003 -0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.081 15.290 0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.207 14.320 3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.890 14.765 2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.519 13.153 3.611 1.00 0.00 H new ATOM 1309 N GLN A 86 -5.966 10.757 2.287 1.00 0.00 N ATOM 1310 CA GLN A 86 -7.190 10.759 3.071 1.00 0.00 C ATOM 1311 C GLN A 86 -7.063 9.800 4.257 1.00 0.00 C ATOM 1312 O GLN A 86 -5.977 9.296 4.538 1.00 0.00 O ATOM 1313 CB GLN A 86 -8.397 10.399 2.202 1.00 0.00 C ATOM 1314 CG GLN A 86 -8.586 11.419 1.077 1.00 0.00 C ATOM 1315 CD GLN A 86 -10.051 11.847 0.966 1.00 0.00 C ATOM 1316 OE1 GLN A 86 -10.951 11.215 1.493 1.00 0.00 O ATOM 1317 NE2 GLN A 86 -10.238 12.952 0.250 1.00 0.00 N ATOM 0 H GLN A 86 -5.895 9.998 1.609 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.349 11.765 3.458 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.260 9.405 1.777 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.295 10.361 2.818 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.961 12.292 1.264 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -8.256 10.988 0.131 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -9.439 13.433 -0.164 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.180 13.319 0.115 1.00 0.00 H new ATOM 1326 N ASP A 87 -8.188 9.579 4.921 1.00 0.00 N ATOM 1327 CA ASP A 87 -8.215 8.689 6.069 1.00 0.00 C ATOM 1328 C ASP A 87 -8.376 7.247 5.589 1.00 0.00 C ATOM 1329 O ASP A 87 -7.433 6.459 5.652 1.00 0.00 O ATOM 1330 CB ASP A 87 -9.394 9.015 6.990 1.00 0.00 C ATOM 1331 CG ASP A 87 -9.598 8.038 8.149 1.00 0.00 C ATOM 1332 OD1 ASP A 87 -9.577 6.819 7.874 1.00 0.00 O ATOM 1333 OD2 ASP A 87 -9.771 8.533 9.284 1.00 0.00 O ATOM 0 H ASP A 87 -9.087 10.000 4.686 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.281 8.818 6.617 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.251 10.015 7.399 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.305 9.042 6.393 1.00 0.00 H new ATOM 1338 N ASP A 88 -9.577 6.943 5.119 1.00 0.00 N ATOM 1339 CA ASP A 88 -9.873 5.608 4.627 1.00 0.00 C ATOM 1340 C ASP A 88 -8.754 5.155 3.687 1.00 0.00 C ATOM 1341 O ASP A 88 -8.336 5.907 2.808 1.00 0.00 O ATOM 1342 CB ASP A 88 -11.187 5.588 3.844 1.00 0.00 C ATOM 1343 CG ASP A 88 -12.375 6.236 4.557 1.00 0.00 C ATOM 1344 OD1 ASP A 88 -12.920 5.575 5.467 1.00 0.00 O ATOM 1345 OD2 ASP A 88 -12.712 7.378 4.175 1.00 0.00 O ATOM 0 H ASP A 88 -10.357 7.599 5.068 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.956 4.943 5.487 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.033 6.096 2.892 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.440 4.553 3.615 1.00 0.00 H new ATOM 1350 N ILE A 89 -8.302 3.929 3.903 1.00 0.00 N ATOM 1351 CA ILE A 89 -7.240 3.368 3.086 1.00 0.00 C ATOM 1352 C ILE A 89 -7.856 2.594 1.919 1.00 0.00 C ATOM 1353 O ILE A 89 -7.137 2.019 1.103 1.00 0.00 O ATOM 1354 CB ILE A 89 -6.288 2.532 3.944 1.00 0.00 C ATOM 1355 CG1 ILE A 89 -6.962 1.240 4.411 1.00 0.00 C ATOM 1356 CG2 ILE A 89 -5.745 3.351 5.118 1.00 0.00 C ATOM 1357 CD1 ILE A 89 -6.027 0.427 5.308 1.00 0.00 C ATOM 0 H ILE A 89 -8.652 3.308 4.633 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.630 4.162 2.656 1.00 0.00 H new ATOM 0 HB ILE A 89 -5.435 2.247 3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -7.876 1.478 4.954 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.252 0.643 3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.071 2.733 5.712 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.203 4.217 4.738 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.574 3.687 5.742 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.531 -0.486 5.626 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.124 0.169 4.754 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.759 1.017 6.184 1.00 0.00 H new ATOM 1369 N THR A 90 -9.180 2.605 1.876 1.00 0.00 N ATOM 1370 CA THR A 90 -9.900 1.911 0.822 1.00 0.00 C ATOM 1371 C THR A 90 -9.262 2.199 -0.538 1.00 0.00 C ATOM 1372 O THR A 90 -9.135 1.301 -1.370 1.00 0.00 O ATOM 1373 CB THR A 90 -11.371 2.326 0.903 1.00 0.00 C ATOM 1374 OG1 THR A 90 -12.025 1.472 -0.033 1.00 0.00 O ATOM 1375 CG2 THR A 90 -11.613 3.733 0.356 1.00 0.00 C ATOM 0 H THR A 90 -9.773 3.084 2.554 1.00 0.00 H new ATOM 0 HA THR A 90 -9.844 0.830 0.950 1.00 0.00 H new ATOM 0 HB THR A 90 -11.705 2.277 1.939 1.00 0.00 H new ATOM 0 HG1 THR A 90 -12.984 1.672 -0.044 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.672 3.978 0.437 1.00 0.00 H new ATOM 0 HG22 THR A 90 -11.029 4.452 0.931 1.00 0.00 H new ATOM 0 HG23 THR A 90 -11.310 3.774 -0.690 1.00 0.00 H new ATOM 1383 N ALA A 91 -8.876 3.453 -0.722 1.00 0.00 N ATOM 1384 CA ALA A 91 -8.255 3.870 -1.967 1.00 0.00 C ATOM 1385 C ALA A 91 -6.862 3.244 -2.071 1.00 0.00 C ATOM 1386 O ALA A 91 -6.434 2.849 -3.155 1.00 0.00 O ATOM 1387 CB ALA A 91 -8.214 5.398 -2.031 1.00 0.00 C ATOM 0 H ALA A 91 -8.982 4.194 -0.029 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.837 3.524 -2.821 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.748 5.711 -2.965 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.229 5.792 -1.982 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.636 5.782 -1.191 1.00 0.00 H new ATOM 1393 N ALA A 92 -6.193 3.175 -0.929 1.00 0.00 N ATOM 1394 CA ALA A 92 -4.857 2.605 -0.878 1.00 0.00 C ATOM 1395 C ALA A 92 -4.923 1.127 -1.266 1.00 0.00 C ATOM 1396 O ALA A 92 -4.044 0.625 -1.966 1.00 0.00 O ATOM 1397 CB ALA A 92 -4.266 2.815 0.517 1.00 0.00 C ATOM 0 H ALA A 92 -6.551 3.504 -0.032 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.199 3.104 -1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.264 2.388 0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.214 3.882 0.733 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.898 2.325 1.258 1.00 0.00 H new ATOM 1403 N ILE A 93 -5.973 0.470 -0.796 1.00 0.00 N ATOM 1404 CA ILE A 93 -6.165 -0.940 -1.086 1.00 0.00 C ATOM 1405 C ILE A 93 -6.535 -1.108 -2.561 1.00 0.00 C ATOM 1406 O ILE A 93 -5.916 -1.897 -3.273 1.00 0.00 O ATOM 1407 CB ILE A 93 -7.186 -1.551 -0.123 1.00 0.00 C ATOM 1408 CG1 ILE A 93 -6.857 -1.190 1.327 1.00 0.00 C ATOM 1409 CG2 ILE A 93 -7.295 -3.063 -0.326 1.00 0.00 C ATOM 1410 CD1 ILE A 93 -7.912 -1.746 2.285 1.00 0.00 C ATOM 0 H ILE A 93 -6.700 0.889 -0.216 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.239 -1.491 -0.925 1.00 0.00 H new ATOM 0 HB ILE A 93 -8.164 -1.125 -0.347 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.877 -1.587 1.591 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.801 -0.106 1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.027 -3.472 0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.611 -3.271 -1.348 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.325 -3.525 -0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -7.653 -1.475 3.308 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.887 -1.328 2.034 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.948 -2.832 2.196 1.00 0.00 H new ATOM 1422 N GLN A 94 -7.542 -0.354 -2.975 1.00 0.00 N ATOM 1423 CA GLN A 94 -8.001 -0.409 -4.352 1.00 0.00 C ATOM 1424 C GLN A 94 -6.837 -0.149 -5.311 1.00 0.00 C ATOM 1425 O GLN A 94 -6.629 -0.904 -6.260 1.00 0.00 O ATOM 1426 CB GLN A 94 -9.140 0.584 -4.591 1.00 0.00 C ATOM 1427 CG GLN A 94 -9.955 0.197 -5.827 1.00 0.00 C ATOM 1428 CD GLN A 94 -11.422 -0.043 -5.464 1.00 0.00 C ATOM 1429 OE1 GLN A 94 -12.254 0.848 -5.511 1.00 0.00 O ATOM 1430 NE2 GLN A 94 -11.690 -1.293 -5.098 1.00 0.00 N ATOM 0 H GLN A 94 -8.053 0.299 -2.381 1.00 0.00 H new ATOM 0 HA GLN A 94 -8.389 -1.409 -4.545 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -9.790 0.614 -3.717 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -8.732 1.587 -4.719 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -9.886 0.988 -6.574 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -9.536 -0.703 -6.276 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -10.946 -1.990 -5.081 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -12.640 -1.555 -4.835 1.00 0.00 H new ATOM 1439 N CYS A 95 -6.109 0.921 -5.030 1.00 0.00 N ATOM 1440 CA CYS A 95 -4.971 1.290 -5.855 1.00 0.00 C ATOM 1441 C CYS A 95 -3.889 0.223 -5.685 1.00 0.00 C ATOM 1442 O CYS A 95 -3.243 -0.172 -6.656 1.00 0.00 O ATOM 1443 CB CYS A 95 -4.453 2.689 -5.511 1.00 0.00 C ATOM 1444 SG CYS A 95 -3.960 3.700 -6.954 1.00 0.00 S ATOM 0 H CYS A 95 -6.285 1.545 -4.242 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.275 1.334 -6.901 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -5.227 3.222 -4.959 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -3.596 2.590 -4.844 1.00 0.00 H new ATOM 1449 N ALA A 96 -3.723 -0.215 -4.445 1.00 0.00 N ATOM 1450 CA ALA A 96 -2.729 -1.229 -4.136 1.00 0.00 C ATOM 1451 C ALA A 96 -2.910 -2.418 -5.082 1.00 0.00 C ATOM 1452 O ALA A 96 -1.949 -2.881 -5.693 1.00 0.00 O ATOM 1453 CB ALA A 96 -2.849 -1.630 -2.665 1.00 0.00 C ATOM 0 H ALA A 96 -4.260 0.114 -3.643 1.00 0.00 H new ATOM 0 HA ALA A 96 -1.722 -0.839 -4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.103 -2.391 -2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -2.684 -0.756 -2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.846 -2.030 -2.477 1.00 0.00 H new ATOM 1459 N LYS A 97 -4.148 -2.880 -5.170 1.00 0.00 N ATOM 1460 CA LYS A 97 -4.468 -4.007 -6.030 1.00 0.00 C ATOM 1461 C LYS A 97 -4.328 -3.582 -7.493 1.00 0.00 C ATOM 1462 O LYS A 97 -3.738 -4.302 -8.298 1.00 0.00 O ATOM 1463 CB LYS A 97 -5.848 -4.571 -5.683 1.00 0.00 C ATOM 1464 CG LYS A 97 -6.930 -3.500 -5.827 1.00 0.00 C ATOM 1465 CD LYS A 97 -8.326 -4.107 -5.671 1.00 0.00 C ATOM 1466 CE LYS A 97 -9.257 -3.637 -6.790 1.00 0.00 C ATOM 1467 NZ LYS A 97 -10.256 -4.682 -7.106 1.00 0.00 N ATOM 0 H LYS A 97 -4.942 -2.494 -4.660 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.765 -4.823 -5.866 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.076 -5.413 -6.337 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.843 -4.953 -4.662 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -6.781 -2.724 -5.076 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -6.845 -3.021 -6.802 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.257 -5.195 -5.684 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.743 -3.825 -4.704 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.764 -2.720 -6.488 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.675 -3.401 -7.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -10.880 -4.347 -7.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.768 -5.547 -7.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.823 -4.887 -6.259 1.00 0.00 H new ATOM 1481 N ARG A 98 -4.878 -2.415 -7.793 1.00 0.00 N ATOM 1482 CA ARG A 98 -4.821 -1.886 -9.145 1.00 0.00 C ATOM 1483 C ARG A 98 -3.366 -1.693 -9.579 1.00 0.00 C ATOM 1484 O ARG A 98 -3.070 -1.662 -10.773 1.00 0.00 O ATOM 1485 CB ARG A 98 -5.557 -0.548 -9.245 1.00 0.00 C ATOM 1486 CG ARG A 98 -5.645 -0.078 -10.698 1.00 0.00 C ATOM 1487 CD ARG A 98 -6.929 0.720 -10.939 1.00 0.00 C ATOM 1488 NE ARG A 98 -7.295 0.668 -12.372 1.00 0.00 N ATOM 1489 CZ ARG A 98 -7.887 -0.381 -12.959 1.00 0.00 C ATOM 1490 NH1 ARG A 98 -8.182 -1.472 -12.240 1.00 0.00 N ATOM 1491 NH2 ARG A 98 -8.182 -0.339 -14.266 1.00 0.00 N ATOM 0 H ARG A 98 -5.366 -1.821 -7.123 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.308 -2.606 -9.803 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.560 -0.649 -8.830 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.039 0.202 -8.647 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.779 0.539 -10.938 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.617 -0.940 -11.365 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.739 0.313 -10.333 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.787 1.755 -10.629 1.00 0.00 H new ATOM 0 HE ARG A 98 -7.083 1.482 -12.949 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -7.956 -1.504 -11.246 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -8.633 -2.271 -12.687 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -7.956 0.491 -14.813 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -8.633 -1.137 -14.713 1.00 0.00 H new ATOM 1505 N VAL A 99 -2.498 -1.570 -8.586 1.00 0.00 N ATOM 1506 CA VAL A 99 -1.081 -1.382 -8.851 1.00 0.00 C ATOM 1507 C VAL A 99 -0.416 -2.747 -9.041 1.00 0.00 C ATOM 1508 O VAL A 99 0.196 -3.004 -10.077 1.00 0.00 O ATOM 1509 CB VAL A 99 -0.445 -0.559 -7.729 1.00 0.00 C ATOM 1510 CG1 VAL A 99 1.072 -0.759 -7.695 1.00 0.00 C ATOM 1511 CG2 VAL A 99 -0.799 0.923 -7.867 1.00 0.00 C ATOM 0 H VAL A 99 -2.748 -1.597 -7.597 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.936 -0.819 -9.773 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.852 -0.914 -6.782 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.500 -0.163 -6.889 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.296 -1.812 -7.526 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.502 -0.444 -8.646 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.334 1.485 -7.057 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.434 1.297 -8.824 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.881 1.045 -7.819 1.00 0.00 H new ATOM 1521 N VAL A 100 -0.559 -3.586 -8.026 1.00 0.00 N ATOM 1522 CA VAL A 100 0.020 -4.919 -8.069 1.00 0.00 C ATOM 1523 C VAL A 100 -0.532 -5.670 -9.282 1.00 0.00 C ATOM 1524 O VAL A 100 0.111 -6.587 -9.793 1.00 0.00 O ATOM 1525 CB VAL A 100 -0.240 -5.644 -6.748 1.00 0.00 C ATOM 1526 CG1 VAL A 100 0.584 -6.931 -6.658 1.00 0.00 C ATOM 1527 CG2 VAL A 100 0.041 -4.728 -5.555 1.00 0.00 C ATOM 0 H VAL A 100 -1.067 -3.369 -7.169 1.00 0.00 H new ATOM 0 HA VAL A 100 1.102 -4.863 -8.186 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.294 -5.918 -6.718 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.381 -7.428 -5.709 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.314 -7.594 -7.480 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.645 -6.689 -6.721 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.152 -5.268 -4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.083 -4.409 -5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.608 -3.854 -5.607 1.00 0.00 H new ATOM 1537 N ARG A 101 -1.714 -5.254 -9.709 1.00 0.00 N ATOM 1538 CA ARG A 101 -2.359 -5.877 -10.853 1.00 0.00 C ATOM 1539 C ARG A 101 -1.445 -5.809 -12.079 1.00 0.00 C ATOM 1540 O ARG A 101 -1.614 -6.576 -13.026 1.00 0.00 O ATOM 1541 CB ARG A 101 -3.688 -5.191 -11.178 1.00 0.00 C ATOM 1542 CG ARG A 101 -4.481 -5.994 -12.211 1.00 0.00 C ATOM 1543 CD ARG A 101 -5.277 -7.115 -11.539 1.00 0.00 C ATOM 1544 NE ARG A 101 -6.658 -7.143 -12.067 1.00 0.00 N ATOM 1545 CZ ARG A 101 -7.506 -8.167 -11.901 1.00 0.00 C ATOM 1546 NH1 ARG A 101 -7.119 -9.254 -11.220 1.00 0.00 N ATOM 1547 NH2 ARG A 101 -8.742 -8.105 -12.416 1.00 0.00 N ATOM 0 H ARG A 101 -2.243 -4.493 -9.284 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.554 -6.918 -10.597 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -4.277 -5.081 -10.267 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -3.500 -4.187 -11.559 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.160 -5.332 -12.748 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -3.800 -6.418 -12.948 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -4.791 -8.074 -11.718 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -5.295 -6.963 -10.460 1.00 0.00 H new ATOM 0 HE ARG A 101 -6.986 -6.331 -12.591 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -6.179 -9.302 -10.828 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -7.765 -10.033 -11.094 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -9.037 -7.278 -12.935 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -9.387 -8.885 -12.289 1.00 0.00 H new ATOM 1561 N ASP A 102 -0.498 -4.885 -12.021 1.00 0.00 N ATOM 1562 CA ASP A 102 0.443 -4.709 -13.115 1.00 0.00 C ATOM 1563 C ASP A 102 1.419 -5.886 -13.137 1.00 0.00 C ATOM 1564 O ASP A 102 1.361 -6.762 -12.276 1.00 0.00 O ATOM 1565 CB ASP A 102 1.255 -3.424 -12.940 1.00 0.00 C ATOM 1566 CG ASP A 102 1.073 -2.388 -14.050 1.00 0.00 C ATOM 1567 OD1 ASP A 102 -0.047 -2.339 -14.605 1.00 0.00 O ATOM 1568 OD2 ASP A 102 2.058 -1.667 -14.321 1.00 0.00 O ATOM 0 H ASP A 102 -0.362 -4.250 -11.234 1.00 0.00 H new ATOM 0 HA ASP A 102 -0.125 -4.654 -14.044 1.00 0.00 H new ATOM 0 HB2 ASP A 102 0.983 -2.967 -11.989 1.00 0.00 H new ATOM 0 HB3 ASP A 102 2.311 -3.685 -12.877 1.00 0.00 H new ATOM 1573 N PRO A 103 2.317 -5.868 -14.158 1.00 0.00 N ATOM 1574 CA PRO A 103 3.305 -6.923 -14.305 1.00 0.00 C ATOM 1575 C PRO A 103 4.424 -6.773 -13.272 1.00 0.00 C ATOM 1576 O PRO A 103 5.359 -7.572 -13.246 1.00 0.00 O ATOM 1577 CB PRO A 103 3.798 -6.805 -15.737 1.00 0.00 C ATOM 1578 CG PRO A 103 3.415 -5.407 -16.196 1.00 0.00 C ATOM 1579 CD PRO A 103 2.415 -4.847 -15.197 1.00 0.00 C ATOM 0 HA PRO A 103 2.892 -7.915 -14.122 1.00 0.00 H new ATOM 0 HB2 PRO A 103 4.877 -6.952 -15.792 1.00 0.00 H new ATOM 0 HB3 PRO A 103 3.340 -7.564 -16.372 1.00 0.00 H new ATOM 0 HG2 PRO A 103 4.297 -4.769 -16.252 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.980 -5.439 -17.195 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.755 -3.896 -14.787 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.448 -4.664 -15.665 1.00 0.00 H new ATOM 1587 N GLN A 104 4.292 -5.746 -12.448 1.00 0.00 N ATOM 1588 CA GLN A 104 5.280 -5.481 -11.416 1.00 0.00 C ATOM 1589 C GLN A 104 5.257 -6.589 -10.362 1.00 0.00 C ATOM 1590 O GLN A 104 6.253 -7.284 -10.164 1.00 0.00 O ATOM 1591 CB GLN A 104 5.050 -4.111 -10.776 1.00 0.00 C ATOM 1592 CG GLN A 104 4.971 -3.014 -11.841 1.00 0.00 C ATOM 1593 CD GLN A 104 6.290 -2.244 -11.935 1.00 0.00 C ATOM 1594 OE1 GLN A 104 7.288 -2.596 -11.329 1.00 0.00 O ATOM 1595 NE2 GLN A 104 6.237 -1.176 -12.727 1.00 0.00 N ATOM 0 H GLN A 104 3.515 -5.086 -12.473 1.00 0.00 H new ATOM 0 HA GLN A 104 6.266 -5.468 -11.880 1.00 0.00 H new ATOM 0 HB2 GLN A 104 4.127 -4.127 -10.196 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.860 -3.890 -10.081 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.735 -3.458 -12.808 1.00 0.00 H new ATOM 0 HG3 GLN A 104 4.161 -2.326 -11.600 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.368 -0.938 -13.205 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.065 -0.595 -12.856 1.00 0.00 H new ATOM 1604 N GLY A 105 4.109 -6.721 -9.712 1.00 0.00 N ATOM 1605 CA GLY A 105 3.944 -7.733 -8.684 1.00 0.00 C ATOM 1606 C GLY A 105 4.552 -7.272 -7.358 1.00 0.00 C ATOM 1607 O GLY A 105 5.485 -6.471 -7.345 1.00 0.00 O ATOM 0 H GLY A 105 3.285 -6.143 -9.878 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.884 -7.948 -8.547 1.00 0.00 H new ATOM 0 HA3 GLY A 105 4.419 -8.661 -9.003 1.00 0.00 H new ATOM 1611 N ILE A 106 3.998 -7.797 -6.274 1.00 0.00 N ATOM 1612 CA ILE A 106 4.475 -7.450 -4.947 1.00 0.00 C ATOM 1613 C ILE A 106 6.003 -7.365 -4.964 1.00 0.00 C ATOM 1614 O ILE A 106 6.590 -6.543 -4.263 1.00 0.00 O ATOM 1615 CB ILE A 106 3.925 -8.428 -3.907 1.00 0.00 C ATOM 1616 CG1 ILE A 106 2.513 -8.030 -3.474 1.00 0.00 C ATOM 1617 CG2 ILE A 106 4.876 -8.553 -2.715 1.00 0.00 C ATOM 1618 CD1 ILE A 106 2.553 -7.063 -2.289 1.00 0.00 C ATOM 0 H ILE A 106 3.223 -8.460 -6.289 1.00 0.00 H new ATOM 0 HA ILE A 106 4.104 -6.468 -4.654 1.00 0.00 H new ATOM 0 HB ILE A 106 3.855 -9.413 -4.368 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.990 -7.565 -4.310 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.948 -8.921 -3.201 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.461 -9.254 -1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.844 -8.917 -3.059 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.001 -7.577 -2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.536 -6.797 -2.002 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.054 -7.540 -1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.097 -6.162 -2.573 1.00 0.00 H new ATOM 1630 N ARG A 107 6.602 -8.227 -5.773 1.00 0.00 N ATOM 1631 CA ARG A 107 8.050 -8.260 -5.890 1.00 0.00 C ATOM 1632 C ARG A 107 8.614 -6.837 -5.903 1.00 0.00 C ATOM 1633 O ARG A 107 9.676 -6.582 -5.338 1.00 0.00 O ATOM 1634 CB ARG A 107 8.482 -8.985 -7.166 1.00 0.00 C ATOM 1635 CG ARG A 107 9.891 -9.564 -7.018 1.00 0.00 C ATOM 1636 CD ARG A 107 9.839 -11.059 -6.698 1.00 0.00 C ATOM 1637 NE ARG A 107 11.174 -11.666 -6.895 1.00 0.00 N ATOM 1638 CZ ARG A 107 11.725 -11.898 -8.095 1.00 0.00 C ATOM 1639 NH1 ARG A 107 11.056 -11.575 -9.211 1.00 0.00 N ATOM 1640 NH2 ARG A 107 12.942 -12.452 -8.178 1.00 0.00 N ATOM 0 H ARG A 107 6.111 -8.907 -6.353 1.00 0.00 H new ATOM 0 HA ARG A 107 8.441 -8.801 -5.028 1.00 0.00 H new ATOM 0 HB2 ARG A 107 7.777 -9.786 -7.390 1.00 0.00 H new ATOM 0 HB3 ARG A 107 8.456 -8.293 -8.008 1.00 0.00 H new ATOM 0 HG2 ARG A 107 10.452 -9.405 -7.939 1.00 0.00 H new ATOM 0 HG3 ARG A 107 10.423 -9.037 -6.226 1.00 0.00 H new ATOM 0 HD2 ARG A 107 9.511 -11.208 -5.669 1.00 0.00 H new ATOM 0 HD3 ARG A 107 9.108 -11.551 -7.340 1.00 0.00 H new ATOM 0 HE ARG A 107 11.709 -11.924 -6.066 1.00 0.00 H new ATOM 0 HH11 ARG A 107 10.129 -11.153 -9.146 1.00 0.00 H new ATOM 0 HH12 ARG A 107 11.474 -11.751 -10.125 1.00 0.00 H new ATOM 0 HH21 ARG A 107 13.450 -12.697 -7.328 1.00 0.00 H new ATOM 0 HH22 ARG A 107 13.361 -12.628 -9.091 1.00 0.00 H new ATOM 1654 N ALA A 108 7.878 -5.950 -6.556 1.00 0.00 N ATOM 1655 CA ALA A 108 8.291 -4.560 -6.650 1.00 0.00 C ATOM 1656 C ALA A 108 8.852 -4.106 -5.301 1.00 0.00 C ATOM 1657 O ALA A 108 9.808 -3.334 -5.249 1.00 0.00 O ATOM 1658 CB ALA A 108 7.108 -3.705 -7.108 1.00 0.00 C ATOM 0 H ALA A 108 6.998 -6.167 -7.025 1.00 0.00 H new ATOM 0 HA ALA A 108 9.082 -4.444 -7.391 1.00 0.00 H new ATOM 0 HB1 ALA A 108 7.418 -2.662 -7.178 1.00 0.00 H new ATOM 0 HB2 ALA A 108 6.767 -4.049 -8.085 1.00 0.00 H new ATOM 0 HB3 ALA A 108 6.295 -3.794 -6.388 1.00 0.00 H new ATOM 1664 N TRP A 109 8.233 -4.605 -4.241 1.00 0.00 N ATOM 1665 CA TRP A 109 8.658 -4.261 -2.895 1.00 0.00 C ATOM 1666 C TRP A 109 9.606 -5.356 -2.403 1.00 0.00 C ATOM 1667 O TRP A 109 9.311 -6.046 -1.428 1.00 0.00 O ATOM 1668 CB TRP A 109 7.452 -4.056 -1.975 1.00 0.00 C ATOM 1669 CG TRP A 109 6.537 -2.905 -2.396 1.00 0.00 C ATOM 1670 CD1 TRP A 109 6.692 -1.596 -2.152 1.00 0.00 C ATOM 1671 CD2 TRP A 109 5.310 -3.013 -3.149 1.00 0.00 C ATOM 1672 NE1 TRP A 109 5.659 -0.856 -2.692 1.00 0.00 N ATOM 1673 CE2 TRP A 109 4.793 -1.745 -3.316 1.00 0.00 C ATOM 1674 CE3 TRP A 109 4.661 -4.145 -3.671 1.00 0.00 C ATOM 1675 CZ2 TRP A 109 3.601 -1.489 -4.006 1.00 0.00 C ATOM 1676 CZ3 TRP A 109 3.471 -3.872 -4.357 1.00 0.00 C ATOM 1677 CH2 TRP A 109 2.936 -2.601 -4.535 1.00 0.00 C ATOM 0 H TRP A 109 7.440 -5.245 -4.287 1.00 0.00 H new ATOM 0 HA TRP A 109 9.193 -3.311 -2.891 1.00 0.00 H new ATOM 0 HB2 TRP A 109 6.870 -4.977 -1.945 1.00 0.00 H new ATOM 0 HB3 TRP A 109 7.808 -3.871 -0.962 1.00 0.00 H new ATOM 0 HD1 TRP A 109 7.520 -1.174 -1.602 1.00 0.00 H new ATOM 0 HE1 TRP A 109 5.552 0.157 -2.642 1.00 0.00 H new ATOM 0 HE3 TRP A 109 5.049 -5.146 -3.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 3.216 -0.487 -4.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 2.931 -4.707 -4.777 1.00 0.00 H new ATOM 0 HH2 TRP A 109 2.012 -2.473 -5.079 1.00 0.00 H new ATOM 1688 N VAL A 110 10.725 -5.484 -3.102 1.00 0.00 N ATOM 1689 CA VAL A 110 11.718 -6.484 -2.748 1.00 0.00 C ATOM 1690 C VAL A 110 11.876 -6.523 -1.227 1.00 0.00 C ATOM 1691 O VAL A 110 12.219 -7.561 -0.662 1.00 0.00 O ATOM 1692 CB VAL A 110 13.031 -6.198 -3.480 1.00 0.00 C ATOM 1693 CG1 VAL A 110 14.184 -6.998 -2.868 1.00 0.00 C ATOM 1694 CG2 VAL A 110 12.899 -6.484 -4.976 1.00 0.00 C ATOM 0 H VAL A 110 10.966 -4.912 -3.911 1.00 0.00 H new ATOM 0 HA VAL A 110 11.394 -7.475 -3.066 1.00 0.00 H new ATOM 0 HB VAL A 110 13.257 -5.138 -3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 110 15.106 -6.777 -3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 110 14.301 -6.724 -1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 110 13.967 -8.064 -2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 110 13.846 -6.272 -5.472 1.00 0.00 H new ATOM 0 HG22 VAL A 110 12.638 -7.532 -5.124 1.00 0.00 H new ATOM 0 HG23 VAL A 110 12.119 -5.852 -5.400 1.00 0.00 H new ATOM 1704 N ALA A 111 11.620 -5.381 -0.607 1.00 0.00 N ATOM 1705 CA ALA A 111 11.730 -5.272 0.837 1.00 0.00 C ATOM 1706 C ALA A 111 11.025 -6.463 1.489 1.00 0.00 C ATOM 1707 O ALA A 111 11.597 -7.134 2.347 1.00 0.00 O ATOM 1708 CB ALA A 111 11.153 -3.930 1.295 1.00 0.00 C ATOM 0 H ALA A 111 11.336 -4.522 -1.079 1.00 0.00 H new ATOM 0 HA ALA A 111 12.775 -5.298 1.145 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.236 -3.849 2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 111 11.708 -3.117 0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 111 10.104 -3.867 1.006 1.00 0.00 H new ATOM 1714 N TRP A 112 9.794 -6.689 1.059 1.00 0.00 N ATOM 1715 CA TRP A 112 9.003 -7.787 1.590 1.00 0.00 C ATOM 1716 C TRP A 112 9.790 -9.081 1.375 1.00 0.00 C ATOM 1717 O TRP A 112 9.754 -9.980 2.215 1.00 0.00 O ATOM 1718 CB TRP A 112 7.613 -7.820 0.954 1.00 0.00 C ATOM 1719 CG TRP A 112 7.135 -9.223 0.573 1.00 0.00 C ATOM 1720 CD1 TRP A 112 6.320 -10.032 1.262 1.00 0.00 C ATOM 1721 CD2 TRP A 112 7.482 -9.954 -0.622 1.00 0.00 C ATOM 1722 NE1 TRP A 112 6.116 -11.226 0.600 1.00 0.00 N ATOM 1723 CE2 TRP A 112 6.845 -11.178 -0.582 1.00 0.00 C ATOM 1724 CE3 TRP A 112 8.308 -9.594 -1.702 1.00 0.00 C ATOM 1725 CZ2 TRP A 112 6.965 -12.139 -1.592 1.00 0.00 C ATOM 1726 CZ3 TRP A 112 8.418 -10.565 -2.705 1.00 0.00 C ATOM 1727 CH2 TRP A 112 7.782 -11.801 -2.679 1.00 0.00 C ATOM 0 H TRP A 112 9.323 -6.130 0.348 1.00 0.00 H new ATOM 0 HA TRP A 112 8.830 -7.657 2.658 1.00 0.00 H new ATOM 0 HB2 TRP A 112 6.897 -7.379 1.648 1.00 0.00 H new ATOM 0 HB3 TRP A 112 7.618 -7.194 0.061 1.00 0.00 H new ATOM 0 HD1 TRP A 112 5.878 -9.782 2.215 1.00 0.00 H new ATOM 0 HE1 TRP A 112 5.536 -12.002 0.920 1.00 0.00 H new ATOM 0 HE3 TRP A 112 8.818 -8.643 -1.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 6.456 -13.090 -1.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 9.040 -10.338 -3.558 1.00 0.00 H new ATOM 0 HH2 TRP A 112 7.917 -12.498 -3.493 1.00 0.00 H new ATOM 1738 N ARG A 113 10.483 -9.135 0.247 1.00 0.00 N ATOM 1739 CA ARG A 113 11.277 -10.306 -0.087 1.00 0.00 C ATOM 1740 C ARG A 113 12.466 -10.430 0.867 1.00 0.00 C ATOM 1741 O ARG A 113 13.104 -11.479 0.935 1.00 0.00 O ATOM 1742 CB ARG A 113 11.792 -10.228 -1.527 1.00 0.00 C ATOM 1743 CG ARG A 113 12.118 -11.621 -2.068 1.00 0.00 C ATOM 1744 CD ARG A 113 13.540 -12.038 -1.687 1.00 0.00 C ATOM 1745 NE ARG A 113 14.204 -12.684 -2.841 1.00 0.00 N ATOM 1746 CZ ARG A 113 15.373 -13.335 -2.768 1.00 0.00 C ATOM 1747 NH1 ARG A 113 16.015 -13.429 -1.596 1.00 0.00 N ATOM 1748 NH2 ARG A 113 15.901 -13.890 -3.868 1.00 0.00 N ATOM 0 H ARG A 113 10.511 -8.388 -0.447 1.00 0.00 H new ATOM 0 HA ARG A 113 10.636 -11.182 0.011 1.00 0.00 H new ATOM 0 HB2 ARG A 113 11.042 -9.754 -2.160 1.00 0.00 H new ATOM 0 HB3 ARG A 113 12.683 -9.601 -1.565 1.00 0.00 H new ATOM 0 HG2 ARG A 113 11.405 -12.345 -1.673 1.00 0.00 H new ATOM 0 HG3 ARG A 113 12.011 -11.628 -3.153 1.00 0.00 H new ATOM 0 HD2 ARG A 113 14.111 -11.165 -1.370 1.00 0.00 H new ATOM 0 HD3 ARG A 113 13.512 -12.725 -0.841 1.00 0.00 H new ATOM 0 HE ARG A 113 13.743 -12.630 -3.749 1.00 0.00 H new ATOM 0 HH11 ARG A 113 15.614 -13.005 -0.759 1.00 0.00 H new ATOM 0 HH12 ARG A 113 16.905 -13.925 -1.540 1.00 0.00 H new ATOM 0 HH21 ARG A 113 15.413 -13.817 -4.761 1.00 0.00 H new ATOM 0 HH22 ARG A 113 16.791 -14.385 -3.812 1.00 0.00 H new ATOM 1762 N ALA A 114 12.728 -9.345 1.581 1.00 0.00 N ATOM 1763 CA ALA A 114 13.829 -9.320 2.529 1.00 0.00 C ATOM 1764 C ALA A 114 13.298 -8.938 3.911 1.00 0.00 C ATOM 1765 O ALA A 114 14.005 -8.315 4.702 1.00 0.00 O ATOM 1766 CB ALA A 114 14.909 -8.358 2.031 1.00 0.00 C ATOM 0 H ALA A 114 12.196 -8.476 1.522 1.00 0.00 H new ATOM 0 HA ALA A 114 14.286 -10.306 2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.735 -8.339 2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.274 -8.692 1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.489 -7.357 1.936 1.00 0.00 H new ATOM 1772 N HIS A 115 12.055 -9.324 4.161 1.00 0.00 N ATOM 1773 CA HIS A 115 11.421 -9.029 5.435 1.00 0.00 C ATOM 1774 C HIS A 115 10.408 -10.126 5.771 1.00 0.00 C ATOM 1775 O HIS A 115 10.351 -10.596 6.905 1.00 0.00 O ATOM 1776 CB HIS A 115 10.798 -7.632 5.420 1.00 0.00 C ATOM 1777 CG HIS A 115 11.259 -6.742 6.550 1.00 0.00 C ATOM 1778 ND1 HIS A 115 10.390 -6.205 7.484 1.00 0.00 N ATOM 1779 CD2 HIS A 115 12.505 -6.302 6.886 1.00 0.00 C ATOM 1780 CE1 HIS A 115 11.093 -5.476 8.338 1.00 0.00 C ATOM 1781 NE2 HIS A 115 12.404 -5.536 7.966 1.00 0.00 N ATOM 0 H HIS A 115 11.470 -9.839 3.503 1.00 0.00 H new ATOM 0 HA HIS A 115 12.171 -9.021 6.226 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.035 -7.150 4.472 1.00 0.00 H new ATOM 0 HB3 HIS A 115 9.713 -7.728 5.466 1.00 0.00 H new ATOM 0 HD2 HIS A 115 13.420 -6.537 6.362 1.00 0.00 H new ATOM 0 HE1 HIS A 115 10.697 -4.930 9.181 1.00 0.00 H new ATOM 0 HE2 HIS A 115 13.178 -5.070 8.439 1.00 0.00 H new ATOM 1790 N CYS A 116 9.635 -10.500 4.762 1.00 0.00 N ATOM 1791 CA CYS A 116 8.628 -11.533 4.936 1.00 0.00 C ATOM 1792 C CYS A 116 9.277 -12.890 4.658 1.00 0.00 C ATOM 1793 O CYS A 116 9.226 -13.791 5.494 1.00 0.00 O ATOM 1794 CB CYS A 116 7.408 -11.290 4.043 1.00 0.00 C ATOM 1795 SG CYS A 116 5.840 -11.015 4.945 1.00 0.00 S ATOM 0 H CYS A 116 9.686 -10.107 3.822 1.00 0.00 H new ATOM 0 HA CYS A 116 8.257 -11.513 5.961 1.00 0.00 H new ATOM 0 HB2 CYS A 116 7.604 -10.424 3.411 1.00 0.00 H new ATOM 0 HB3 CYS A 116 7.284 -12.146 3.380 1.00 0.00 H new ATOM 1800 N GLN A 117 9.873 -12.994 3.478 1.00 0.00 N ATOM 1801 CA GLN A 117 10.533 -14.226 3.079 1.00 0.00 C ATOM 1802 C GLN A 117 11.590 -14.621 4.113 1.00 0.00 C ATOM 1803 O GLN A 117 12.030 -15.769 4.147 1.00 0.00 O ATOM 1804 CB GLN A 117 11.149 -14.090 1.686 1.00 0.00 C ATOM 1805 CG GLN A 117 11.558 -15.457 1.133 1.00 0.00 C ATOM 1806 CD GLN A 117 10.869 -15.735 -0.205 1.00 0.00 C ATOM 1807 OE1 GLN A 117 9.727 -16.158 -0.268 1.00 0.00 O ATOM 1808 NE2 GLN A 117 11.625 -15.473 -1.268 1.00 0.00 N ATOM 0 H GLN A 117 9.912 -12.246 2.786 1.00 0.00 H new ATOM 0 HA GLN A 117 9.786 -15.019 3.033 1.00 0.00 H new ATOM 0 HB2 GLN A 117 10.433 -13.620 1.012 1.00 0.00 H new ATOM 0 HB3 GLN A 117 12.020 -13.436 1.732 1.00 0.00 H new ATOM 0 HG2 GLN A 117 12.640 -15.492 1.003 1.00 0.00 H new ATOM 0 HG3 GLN A 117 11.297 -16.236 1.849 1.00 0.00 H new ATOM 0 HE21 GLN A 117 12.574 -15.120 -1.144 1.00 0.00 H new ATOM 0 HE22 GLN A 117 11.256 -15.625 -2.207 1.00 0.00 H new ATOM 1817 N ASN A 118 11.966 -13.648 4.928 1.00 0.00 N ATOM 1818 CA ASN A 118 12.964 -13.879 5.959 1.00 0.00 C ATOM 1819 C ASN A 118 12.492 -15.012 6.874 1.00 0.00 C ATOM 1820 O ASN A 118 13.087 -16.088 6.891 1.00 0.00 O ATOM 1821 CB ASN A 118 13.167 -12.631 6.820 1.00 0.00 C ATOM 1822 CG ASN A 118 14.465 -12.725 7.624 1.00 0.00 C ATOM 1823 OD1 ASN A 118 14.603 -13.522 8.538 1.00 0.00 O ATOM 1824 ND2 ASN A 118 15.405 -11.867 7.236 1.00 0.00 N ATOM 0 H ASN A 118 11.598 -12.697 4.896 1.00 0.00 H new ATOM 0 HA ASN A 118 13.903 -14.135 5.468 1.00 0.00 H new ATOM 0 HB2 ASN A 118 13.192 -11.746 6.184 1.00 0.00 H new ATOM 0 HB3 ASN A 118 12.322 -12.512 7.499 1.00 0.00 H new ATOM 0 HD21 ASN A 118 16.307 -11.850 7.712 1.00 0.00 H new ATOM 0 HD22 ASN A 118 15.223 -11.227 6.463 1.00 0.00 H new ATOM 1831 N ARG A 119 11.428 -14.731 7.610 1.00 0.00 N ATOM 1832 CA ARG A 119 10.871 -15.713 8.525 1.00 0.00 C ATOM 1833 C ARG A 119 9.343 -15.720 8.429 1.00 0.00 C ATOM 1834 O ARG A 119 8.778 -15.287 7.426 1.00 0.00 O ATOM 1835 CB ARG A 119 11.282 -15.418 9.969 1.00 0.00 C ATOM 1836 CG ARG A 119 11.458 -16.713 10.764 1.00 0.00 C ATOM 1837 CD ARG A 119 10.996 -16.534 12.212 1.00 0.00 C ATOM 1838 NE ARG A 119 11.536 -17.625 13.054 1.00 0.00 N ATOM 1839 CZ ARG A 119 11.512 -17.622 14.393 1.00 0.00 C ATOM 1840 NH1 ARG A 119 10.976 -16.585 15.051 1.00 0.00 N ATOM 1841 NH2 ARG A 119 12.026 -18.656 15.075 1.00 0.00 N ATOM 0 H ARG A 119 10.936 -13.838 7.592 1.00 0.00 H new ATOM 0 HA ARG A 119 11.262 -16.690 8.241 1.00 0.00 H new ATOM 0 HB2 ARG A 119 12.214 -14.852 9.977 1.00 0.00 H new ATOM 0 HB3 ARG A 119 10.526 -14.794 10.446 1.00 0.00 H new ATOM 0 HG2 ARG A 119 10.888 -17.514 10.293 1.00 0.00 H new ATOM 0 HG3 ARG A 119 12.505 -17.015 10.747 1.00 0.00 H new ATOM 0 HD2 ARG A 119 11.332 -15.569 12.593 1.00 0.00 H new ATOM 0 HD3 ARG A 119 9.907 -16.533 12.258 1.00 0.00 H new ATOM 0 HE ARG A 119 11.952 -18.429 12.585 1.00 0.00 H new ATOM 0 HH11 ARG A 119 10.586 -15.798 14.532 1.00 0.00 H new ATOM 0 HH12 ARG A 119 10.958 -16.583 16.071 1.00 0.00 H new ATOM 0 HH21 ARG A 119 12.435 -19.445 14.574 1.00 0.00 H new ATOM 0 HH22 ARG A 119 12.008 -18.654 16.095 1.00 0.00 H new ATOM 1855 N ASP A 120 8.718 -16.218 9.486 1.00 0.00 N ATOM 1856 CA ASP A 120 7.267 -16.288 9.533 1.00 0.00 C ATOM 1857 C ASP A 120 6.721 -15.010 10.174 1.00 0.00 C ATOM 1858 O ASP A 120 6.814 -14.833 11.388 1.00 0.00 O ATOM 1859 CB ASP A 120 6.801 -17.477 10.374 1.00 0.00 C ATOM 1860 CG ASP A 120 5.320 -17.832 10.226 1.00 0.00 C ATOM 1861 OD1 ASP A 120 4.490 -16.990 10.629 1.00 0.00 O ATOM 1862 OD2 ASP A 120 5.052 -18.940 9.712 1.00 0.00 O ATOM 0 H ASP A 120 9.190 -16.577 10.316 1.00 0.00 H new ATOM 0 HA ASP A 120 6.900 -16.403 8.513 1.00 0.00 H new ATOM 0 HB2 ASP A 120 7.397 -18.349 10.105 1.00 0.00 H new ATOM 0 HB3 ASP A 120 7.005 -17.263 11.423 1.00 0.00 H new ATOM 1867 N LEU A 121 6.162 -14.155 9.331 1.00 0.00 N ATOM 1868 CA LEU A 121 5.601 -12.900 9.799 1.00 0.00 C ATOM 1869 C LEU A 121 4.090 -13.058 9.979 1.00 0.00 C ATOM 1870 O LEU A 121 3.364 -12.069 10.062 1.00 0.00 O ATOM 1871 CB LEU A 121 5.992 -11.755 8.864 1.00 0.00 C ATOM 1872 CG LEU A 121 5.887 -10.345 9.449 1.00 0.00 C ATOM 1873 CD1 LEU A 121 4.511 -9.737 9.170 1.00 0.00 C ATOM 1874 CD2 LEU A 121 6.221 -10.344 10.941 1.00 0.00 C ATOM 0 H LEU A 121 6.086 -14.307 8.325 1.00 0.00 H new ATOM 0 HA LEU A 121 6.014 -12.639 10.773 1.00 0.00 H new ATOM 0 HB2 LEU A 121 7.019 -11.915 8.536 1.00 0.00 H new ATOM 0 HB3 LEU A 121 5.362 -11.806 7.976 1.00 0.00 H new ATOM 0 HG LEU A 121 6.625 -9.714 8.953 1.00 0.00 H new ATOM 0 HD11 LEU A 121 4.463 -8.735 9.596 1.00 0.00 H new ATOM 0 HD12 LEU A 121 4.349 -9.682 8.094 1.00 0.00 H new ATOM 0 HD13 LEU A 121 3.739 -10.361 9.621 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.139 -9.330 11.332 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.524 -10.994 11.470 1.00 0.00 H new ATOM 0 HD23 LEU A 121 7.238 -10.707 11.086 1.00 0.00 H new ATOM 1886 N SER A 122 3.660 -14.310 10.034 1.00 0.00 N ATOM 1887 CA SER A 122 2.248 -14.611 10.203 1.00 0.00 C ATOM 1888 C SER A 122 1.831 -14.365 11.654 1.00 0.00 C ATOM 1889 O SER A 122 0.675 -14.043 11.925 1.00 0.00 O ATOM 1890 CB SER A 122 1.941 -16.054 9.799 1.00 0.00 C ATOM 1891 OG SER A 122 0.559 -16.244 9.506 1.00 0.00 O ATOM 0 H SER A 122 4.265 -15.128 9.964 1.00 0.00 H new ATOM 0 HA SER A 122 1.676 -13.951 9.551 1.00 0.00 H new ATOM 0 HB2 SER A 122 2.537 -16.321 8.926 1.00 0.00 H new ATOM 0 HB3 SER A 122 2.237 -16.727 10.604 1.00 0.00 H new ATOM 0 HG SER A 122 0.404 -17.177 9.251 1.00 0.00 H new ATOM 1897 N GLN A 123 2.795 -14.527 12.549 1.00 0.00 N ATOM 1898 CA GLN A 123 2.540 -14.328 13.966 1.00 0.00 C ATOM 1899 C GLN A 123 2.142 -12.875 14.234 1.00 0.00 C ATOM 1900 O GLN A 123 1.665 -12.549 15.320 1.00 0.00 O ATOM 1901 CB GLN A 123 3.758 -14.725 14.802 1.00 0.00 C ATOM 1902 CG GLN A 123 3.464 -14.592 16.298 1.00 0.00 C ATOM 1903 CD GLN A 123 4.335 -15.547 17.115 1.00 0.00 C ATOM 1904 OE1 GLN A 123 5.423 -15.931 16.718 1.00 0.00 O ATOM 1905 NE2 GLN A 123 3.799 -15.909 18.278 1.00 0.00 N ATOM 0 H GLN A 123 3.753 -14.793 12.321 1.00 0.00 H new ATOM 0 HA GLN A 123 1.712 -14.972 14.261 1.00 0.00 H new ATOM 0 HB2 GLN A 123 4.041 -15.752 14.573 1.00 0.00 H new ATOM 0 HB3 GLN A 123 4.607 -14.094 14.537 1.00 0.00 H new ATOM 0 HG2 GLN A 123 3.645 -13.566 16.618 1.00 0.00 H new ATOM 0 HG3 GLN A 123 2.411 -14.804 16.486 1.00 0.00 H new ATOM 0 HE21 GLN A 123 2.884 -15.551 18.551 1.00 0.00 H new ATOM 0 HE22 GLN A 123 4.304 -16.544 18.896 1.00 0.00 H new ATOM 1914 N TYR A 124 2.353 -12.042 13.226 1.00 0.00 N ATOM 1915 CA TYR A 124 2.022 -10.631 13.339 1.00 0.00 C ATOM 1916 C TYR A 124 0.512 -10.411 13.216 1.00 0.00 C ATOM 1917 O TYR A 124 -0.031 -9.472 13.796 1.00 0.00 O ATOM 1918 CB TYR A 124 2.723 -9.938 12.170 1.00 0.00 C ATOM 1919 CG TYR A 124 3.388 -8.610 12.541 1.00 0.00 C ATOM 1920 CD1 TYR A 124 4.400 -8.585 13.479 1.00 0.00 C ATOM 1921 CD2 TYR A 124 2.976 -7.440 11.938 1.00 0.00 C ATOM 1922 CE1 TYR A 124 5.025 -7.335 13.828 1.00 0.00 C ATOM 1923 CE2 TYR A 124 3.601 -6.191 12.287 1.00 0.00 C ATOM 1924 CZ TYR A 124 4.595 -6.200 13.215 1.00 0.00 C ATOM 1925 OH TYR A 124 5.186 -5.020 13.545 1.00 0.00 O ATOM 0 H TYR A 124 2.749 -12.317 12.327 1.00 0.00 H new ATOM 0 HA TYR A 124 2.337 -10.239 14.306 1.00 0.00 H new ATOM 0 HB2 TYR A 124 3.479 -10.610 11.763 1.00 0.00 H new ATOM 0 HB3 TYR A 124 1.996 -9.760 11.378 1.00 0.00 H new ATOM 0 HD1 TYR A 124 4.723 -9.501 13.951 1.00 0.00 H new ATOM 0 HD2 TYR A 124 2.184 -7.461 11.204 1.00 0.00 H new ATOM 0 HE1 TYR A 124 5.818 -7.300 14.561 1.00 0.00 H new ATOM 0 HE2 TYR A 124 3.288 -5.268 11.822 1.00 0.00 H new ATOM 0 HH TYR A 124 4.778 -4.294 13.028 1.00 0.00 H new ATOM 1935 N ILE A 125 -0.122 -11.293 12.458 1.00 0.00 N ATOM 1936 CA ILE A 125 -1.557 -11.206 12.251 1.00 0.00 C ATOM 1937 C ILE A 125 -2.269 -12.116 13.256 1.00 0.00 C ATOM 1938 O ILE A 125 -3.353 -11.788 13.736 1.00 0.00 O ATOM 1939 CB ILE A 125 -1.909 -11.508 10.793 1.00 0.00 C ATOM 1940 CG1 ILE A 125 -1.392 -12.888 10.379 1.00 0.00 C ATOM 1941 CG2 ILE A 125 -1.397 -10.403 9.866 1.00 0.00 C ATOM 1942 CD1 ILE A 125 -2.257 -13.486 9.268 1.00 0.00 C ATOM 0 H ILE A 125 0.332 -12.071 11.980 1.00 0.00 H new ATOM 0 HA ILE A 125 -1.907 -10.190 12.435 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.995 -11.529 10.701 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -0.360 -12.806 10.037 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -1.390 -13.554 11.242 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.660 -10.642 8.835 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -1.852 -9.453 10.146 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.313 -10.326 9.955 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -1.868 -14.466 8.992 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.283 -13.589 9.621 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.237 -12.830 8.398 1.00 0.00 H new ATOM 1954 N ARG A 126 -1.628 -13.239 13.545 1.00 0.00 N ATOM 1955 CA ARG A 126 -2.186 -14.198 14.484 1.00 0.00 C ATOM 1956 C ARG A 126 -2.050 -13.678 15.917 1.00 0.00 C ATOM 1957 O ARG A 126 -0.944 -13.399 16.378 1.00 0.00 O ATOM 1958 CB ARG A 126 -1.483 -15.551 14.371 1.00 0.00 C ATOM 1959 CG ARG A 126 -2.208 -16.616 15.196 1.00 0.00 C ATOM 1960 CD ARG A 126 -3.432 -17.150 14.450 1.00 0.00 C ATOM 1961 NE ARG A 126 -4.667 -16.577 15.030 1.00 0.00 N ATOM 1962 CZ ARG A 126 -5.875 -16.659 14.455 1.00 0.00 C ATOM 1963 NH1 ARG A 126 -6.017 -17.288 13.281 1.00 0.00 N ATOM 1964 NH2 ARG A 126 -6.941 -16.109 15.054 1.00 0.00 N ATOM 0 H ARG A 126 -0.728 -13.506 13.146 1.00 0.00 H new ATOM 0 HA ARG A 126 -3.240 -14.328 14.239 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -1.445 -15.859 13.326 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -0.452 -15.459 14.714 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -1.526 -17.437 15.416 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -2.517 -16.193 16.152 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -3.364 -16.894 13.393 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -3.461 -18.238 14.513 1.00 0.00 H new ATOM 0 HE ARG A 126 -4.594 -16.089 15.923 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -5.206 -17.705 12.824 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -6.936 -17.350 12.844 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -6.833 -15.628 15.947 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -7.860 -16.171 14.617 1.00 0.00 H new ATOM 1978 N ASN A 127 -3.190 -13.564 16.582 1.00 0.00 N ATOM 1979 CA ASN A 127 -3.213 -13.083 17.952 1.00 0.00 C ATOM 1980 C ASN A 127 -3.084 -11.558 17.955 1.00 0.00 C ATOM 1981 O ASN A 127 -2.648 -10.970 18.943 1.00 0.00 O ATOM 1982 CB ASN A 127 -2.045 -13.658 18.757 1.00 0.00 C ATOM 1983 CG ASN A 127 -2.325 -13.586 20.259 1.00 0.00 C ATOM 1984 OD1 ASN A 127 -2.079 -12.588 20.916 1.00 0.00 O ATOM 1985 ND2 ASN A 127 -2.853 -14.698 20.764 1.00 0.00 N ATOM 0 H ASN A 127 -4.105 -13.797 16.197 1.00 0.00 H new ATOM 0 HA ASN A 127 -4.153 -13.398 18.405 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -1.873 -14.694 18.465 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -1.134 -13.106 18.527 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -3.077 -14.751 21.758 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -3.034 -15.498 20.157 1.00 0.00 H new ATOM 1992 N CYS A 128 -3.473 -10.961 16.838 1.00 0.00 N ATOM 1993 CA CYS A 128 -3.407 -9.517 16.700 1.00 0.00 C ATOM 1994 C CYS A 128 -4.715 -8.923 17.229 1.00 0.00 C ATOM 1995 O CYS A 128 -4.737 -7.791 17.709 1.00 0.00 O ATOM 1996 CB CYS A 128 -3.134 -9.099 15.254 1.00 0.00 C ATOM 1997 SG CYS A 128 -1.977 -7.693 15.066 1.00 0.00 S ATOM 0 H CYS A 128 -3.835 -11.452 16.020 1.00 0.00 H new ATOM 0 HA CYS A 128 -2.572 -9.131 17.284 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -2.733 -9.956 14.713 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -4.081 -8.838 14.781 1.00 0.00 H new ATOM 2002 N GLY A 129 -5.772 -9.715 17.123 1.00 0.00 N ATOM 2003 CA GLY A 129 -7.080 -9.282 17.584 1.00 0.00 C ATOM 2004 C GLY A 129 -8.019 -9.022 16.405 1.00 0.00 C ATOM 2005 O GLY A 129 -8.837 -8.103 16.448 1.00 0.00 O ATOM 0 H GLY A 129 -5.749 -10.654 16.725 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -7.510 -10.043 18.235 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -6.978 -8.374 18.179 1.00 0.00 H new ATOM 2009 N VAL A 130 -7.871 -9.847 15.379 1.00 0.00 N ATOM 2010 CA VAL A 130 -8.695 -9.718 14.190 1.00 0.00 C ATOM 2011 C VAL A 130 -9.963 -10.558 14.359 1.00 0.00 C ATOM 2012 O VAL A 130 -10.399 -10.809 15.482 1.00 0.00 O ATOM 2013 CB VAL A 130 -7.888 -10.101 12.948 1.00 0.00 C ATOM 2014 CG1 VAL A 130 -8.809 -10.395 11.763 1.00 0.00 C ATOM 2015 CG2 VAL A 130 -6.873 -9.011 12.597 1.00 0.00 C ATOM 0 H VAL A 130 -7.192 -10.608 15.347 1.00 0.00 H new ATOM 0 HA VAL A 130 -9.006 -8.682 14.053 1.00 0.00 H new ATOM 0 HB VAL A 130 -7.336 -11.013 13.176 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -8.209 -10.664 10.894 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -9.474 -11.221 12.015 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -9.402 -9.509 11.534 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -6.312 -9.308 11.711 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -7.397 -8.076 12.399 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -6.186 -8.872 13.431 1.00 0.00 H new