USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=23 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 66 ASN : amide:sc= -0.549 K(o=-3.9,f=-21!) USER MOD Set 1.2: A 75 ASN : amide:sc= -3.37! C(o=-3.9!,f=-12!) USER MOD Set 2.1: A 44 ASN : amide:sc= 0.00953 X(o=-2.3,f=-2.3) USER MOD Set 2.2: A 46 ASN : amide:sc= -2.32! C(o=-2.3!,f=-2.8!) USER MOD Set 3.1: A 34 HIS : no HD1:sc= -2.49 K(o=-2.5,f=-5.2!) USER MOD Set 3.2: A 115 HIS : no HD1:sc=-0.00265 X(o=-2.5,f=-2.5) USER MOD Single : A 3 TYR OH : rot -143:sc= -6.22! 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= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl 156:sc= -0.541 (180deg=-1.58) 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 33 GLN : amide:sc= -0.491 X(o=-0.49,f=-0.71) USER MOD Single : A 36 SER OG : rot -160:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -5.29 K(o=-5.3,f=-9.4!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -3.27! C(o=-3.3!,f=-13!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0445 USER MOD Single : A 43 THR OG1 : rot -96:sc= 1.03 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -3.47! C(o=-3.5!,f=-9.5!) USER MOD Single : A 51 SER OG : rot 180:sc=-0.000576 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 123:sc= -4.7! USER MOD Single : A 58 GLN : amide:sc= -0.37 K(o=-0.37,f=-2!) USER MOD Single : A 60 ASN :FLIP amide:sc= -5.61! C(o=-7.4!,f=-5.6!) USER MOD Single : A 61 SER OG : rot 70:sc= 0.863 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0248) USER MOD Single : A 70 THR OG1 : rot 17:sc= 0.121 USER MOD Single : A 80 ASN : amide:sc= -0.0931 X(o=-0.093,f=-0.5) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.0226 X(o=-0.023,f=-0.29) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.154 K(o=-0.15,f=-0.75) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.0249 X(o=-0.025,f=-0.48) USER MOD Single : A 117 GLN : amide:sc= -0.277 K(o=-0.28,f=-2.9!) USER MOD Single : A 118 ASN : amide:sc= -0.0101 K(o=-0.01,f=-1.1) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= -0.0259 K(o=-0.026,f=-1) USER MOD ----------------------------------------------------------------- ATOM 23 N VAL A 2 -5.010 6.297 10.462 1.00 0.00 N ATOM 24 CA VAL A 2 -4.052 5.785 11.427 1.00 0.00 C ATOM 25 C VAL A 2 -4.467 4.375 11.851 1.00 0.00 C ATOM 26 O VAL A 2 -5.526 4.188 12.448 1.00 0.00 O ATOM 27 CB VAL A 2 -3.929 6.752 12.606 1.00 0.00 C ATOM 28 CG1 VAL A 2 -3.176 6.104 13.770 1.00 0.00 C ATOM 29 CG2 VAL A 2 -3.255 8.057 12.177 1.00 0.00 C ATOM 0 HA VAL A 2 -3.061 5.712 10.980 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.936 6.991 12.949 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.102 6.812 14.595 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.713 5.216 14.101 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.175 5.822 13.444 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.180 8.727 13.034 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.257 7.843 11.796 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.848 8.533 11.396 1.00 0.00 H new ATOM 39 N TYR A 3 -3.610 3.418 11.525 1.00 0.00 N ATOM 40 CA TYR A 3 -3.875 2.029 11.866 1.00 0.00 C ATOM 41 C TYR A 3 -2.580 1.216 11.890 1.00 0.00 C ATOM 42 O TYR A 3 -1.682 1.445 11.082 1.00 0.00 O ATOM 43 CB TYR A 3 -4.781 1.489 10.758 1.00 0.00 C ATOM 44 CG TYR A 3 -4.768 2.328 9.478 1.00 0.00 C ATOM 45 CD1 TYR A 3 -3.568 2.727 8.928 1.00 0.00 C ATOM 46 CD2 TYR A 3 -5.957 2.685 8.875 1.00 0.00 C ATOM 47 CE1 TYR A 3 -3.555 3.517 7.724 1.00 0.00 C ATOM 48 CE2 TYR A 3 -5.944 3.474 7.671 1.00 0.00 C ATOM 49 CZ TYR A 3 -4.743 3.851 7.154 1.00 0.00 C ATOM 50 OH TYR A 3 -4.731 4.596 6.017 1.00 0.00 O ATOM 0 H TYR A 3 -2.733 3.576 11.029 1.00 0.00 H new ATOM 0 HA TYR A 3 -4.332 1.955 12.853 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -4.475 0.471 10.516 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -5.803 1.433 11.133 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.638 2.447 9.400 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -6.897 2.373 9.306 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.622 3.837 7.284 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -6.867 3.760 7.189 1.00 0.00 H new ATOM 0 HH TYR A 3 -5.481 5.227 6.031 1.00 0.00 H new ATOM 60 N GLU A 4 -2.525 0.280 12.827 1.00 0.00 N ATOM 61 CA GLU A 4 -1.354 -0.570 12.968 1.00 0.00 C ATOM 62 C GLU A 4 -1.616 -1.941 12.341 1.00 0.00 C ATOM 63 O GLU A 4 -2.712 -2.205 11.851 1.00 0.00 O ATOM 64 CB GLU A 4 -0.950 -0.708 14.437 1.00 0.00 C ATOM 65 CG GLU A 4 -2.078 -1.331 15.260 1.00 0.00 C ATOM 66 CD GLU A 4 -1.606 -1.660 16.678 1.00 0.00 C ATOM 67 OE1 GLU A 4 -1.691 -0.749 17.530 1.00 0.00 O ATOM 68 OE2 GLU A 4 -1.169 -2.814 16.877 1.00 0.00 O ATOM 0 H GLU A 4 -3.272 0.092 13.496 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.524 -0.102 12.439 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.055 -1.325 14.515 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.698 0.272 14.842 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.923 -0.644 15.305 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.431 -2.239 14.771 1.00 0.00 H new ATOM 75 N ARG A 5 -0.589 -2.778 12.378 1.00 0.00 N ATOM 76 CA ARG A 5 -0.694 -4.116 11.819 1.00 0.00 C ATOM 77 C ARG A 5 -2.078 -4.702 12.102 1.00 0.00 C ATOM 78 O ARG A 5 -2.744 -5.199 11.194 1.00 0.00 O ATOM 79 CB ARG A 5 0.374 -5.042 12.404 1.00 0.00 C ATOM 80 CG ARG A 5 0.828 -4.555 13.781 1.00 0.00 C ATOM 81 CD ARG A 5 1.354 -5.715 14.628 1.00 0.00 C ATOM 82 NE ARG A 5 1.416 -5.317 16.052 1.00 0.00 N ATOM 83 CZ ARG A 5 2.330 -4.478 16.557 1.00 0.00 C ATOM 84 NH1 ARG A 5 3.264 -3.944 15.759 1.00 0.00 N ATOM 85 NH2 ARG A 5 2.310 -4.173 17.862 1.00 0.00 N ATOM 0 H ARG A 5 0.319 -2.556 12.786 1.00 0.00 H new ATOM 0 HA ARG A 5 -0.542 -4.039 10.742 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -0.022 -6.054 12.485 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.230 -5.087 11.730 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.608 -3.802 13.665 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.005 -4.075 14.294 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.705 -6.583 14.513 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.345 -6.009 14.281 1.00 0.00 H new ATOM 0 HE ARG A 5 0.720 -5.706 16.688 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.280 -4.176 14.766 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.960 -3.305 16.144 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.599 -4.580 18.470 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.006 -3.534 18.247 1.00 0.00 H new ATOM 99 N CYS A 6 -2.472 -4.623 13.365 1.00 0.00 N ATOM 100 CA CYS A 6 -3.766 -5.139 13.778 1.00 0.00 C ATOM 101 C CYS A 6 -4.847 -4.465 12.932 1.00 0.00 C ATOM 102 O CYS A 6 -5.376 -5.067 11.999 1.00 0.00 O ATOM 103 CB CYS A 6 -4.004 -4.935 15.276 1.00 0.00 C ATOM 104 SG CYS A 6 -3.879 -6.455 16.287 1.00 0.00 S ATOM 0 H CYS A 6 -1.918 -4.210 14.115 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.799 -6.216 13.614 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.283 -4.208 15.648 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -4.995 -4.502 15.417 1.00 0.00 H new ATOM 109 N GLU A 7 -5.142 -3.223 13.286 1.00 0.00 N ATOM 110 CA GLU A 7 -6.149 -2.459 12.571 1.00 0.00 C ATOM 111 C GLU A 7 -6.108 -2.792 11.078 1.00 0.00 C ATOM 112 O GLU A 7 -7.060 -3.352 10.537 1.00 0.00 O ATOM 113 CB GLU A 7 -5.967 -0.958 12.803 1.00 0.00 C ATOM 114 CG GLU A 7 -6.944 -0.444 13.862 1.00 0.00 C ATOM 115 CD GLU A 7 -6.353 0.745 14.622 1.00 0.00 C ATOM 116 OE1 GLU A 7 -5.456 0.496 15.457 1.00 0.00 O ATOM 117 OE2 GLU A 7 -6.811 1.877 14.351 1.00 0.00 O ATOM 0 H GLU A 7 -4.700 -2.726 14.060 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.129 -2.736 12.958 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.943 -0.757 13.119 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.123 -0.420 11.868 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.879 -0.148 13.386 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.182 -1.245 14.562 1.00 0.00 H new ATOM 124 N PHE A 8 -4.994 -2.434 10.456 1.00 0.00 N ATOM 125 CA PHE A 8 -4.815 -2.689 9.037 1.00 0.00 C ATOM 126 C PHE A 8 -5.303 -4.091 8.665 1.00 0.00 C ATOM 127 O PHE A 8 -6.086 -4.252 7.730 1.00 0.00 O ATOM 128 CB PHE A 8 -3.316 -2.591 8.750 1.00 0.00 C ATOM 129 CG PHE A 8 -2.981 -2.263 7.293 1.00 0.00 C ATOM 130 CD1 PHE A 8 -3.327 -1.055 6.772 1.00 0.00 C ATOM 131 CD2 PHE A 8 -2.338 -3.178 6.520 1.00 0.00 C ATOM 132 CE1 PHE A 8 -3.017 -0.751 5.420 1.00 0.00 C ATOM 133 CE2 PHE A 8 -2.027 -2.873 5.169 1.00 0.00 C ATOM 134 CZ PHE A 8 -2.373 -1.666 4.647 1.00 0.00 C ATOM 0 H PHE A 8 -4.207 -1.970 10.909 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.389 -1.968 8.455 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.883 -1.825 9.393 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.843 -3.536 9.017 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.837 -0.328 7.386 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.064 -4.137 6.934 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.293 0.207 5.005 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.515 -3.600 4.555 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.136 -1.434 3.619 1.00 0.00 H new ATOM 144 N ALA A 9 -4.821 -5.069 9.416 1.00 0.00 N ATOM 145 CA ALA A 9 -5.198 -6.452 9.178 1.00 0.00 C ATOM 146 C ALA A 9 -6.719 -6.584 9.268 1.00 0.00 C ATOM 147 O ALA A 9 -7.359 -7.081 8.343 1.00 0.00 O ATOM 148 CB ALA A 9 -4.474 -7.358 10.177 1.00 0.00 C ATOM 0 H ALA A 9 -4.172 -4.931 10.191 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.898 -6.765 8.178 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.757 -8.395 9.999 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.397 -7.249 10.053 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.752 -7.076 11.192 1.00 0.00 H new ATOM 154 N ARG A 10 -7.256 -6.130 10.392 1.00 0.00 N ATOM 155 CA ARG A 10 -8.690 -6.191 10.615 1.00 0.00 C ATOM 156 C ARG A 10 -9.439 -5.635 9.403 1.00 0.00 C ATOM 157 O ARG A 10 -10.280 -6.319 8.821 1.00 0.00 O ATOM 158 CB ARG A 10 -9.088 -5.397 11.861 1.00 0.00 C ATOM 159 CG ARG A 10 -10.448 -5.854 12.392 1.00 0.00 C ATOM 160 CD ARG A 10 -10.284 -6.947 13.450 1.00 0.00 C ATOM 161 NE ARG A 10 -11.276 -8.022 13.227 1.00 0.00 N ATOM 162 CZ ARG A 10 -12.557 -7.955 13.616 1.00 0.00 C ATOM 163 NH1 ARG A 10 -13.008 -6.865 14.251 1.00 0.00 N ATOM 164 NH2 ARG A 10 -13.386 -8.980 13.371 1.00 0.00 N ATOM 0 H ARG A 10 -6.723 -5.718 11.158 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.959 -7.237 10.764 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.331 -5.524 12.634 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.125 -4.334 11.623 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.979 -5.004 12.821 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.057 -6.228 11.569 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.275 -7.358 13.407 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.413 -6.523 14.446 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.966 -8.867 12.747 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.377 -6.086 14.438 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.983 -6.814 14.547 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.042 -9.810 12.889 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.361 -8.929 13.667 1.00 0.00 H new ATOM 178 N THR A 11 -9.108 -4.399 9.058 1.00 0.00 N ATOM 179 CA THR A 11 -9.739 -3.744 7.925 1.00 0.00 C ATOM 180 C THR A 11 -9.592 -4.597 6.664 1.00 0.00 C ATOM 181 O THR A 11 -10.583 -4.927 6.014 1.00 0.00 O ATOM 182 CB THR A 11 -9.130 -2.346 7.788 1.00 0.00 C ATOM 183 OG1 THR A 11 -9.683 -1.618 8.880 1.00 0.00 O ATOM 184 CG2 THR A 11 -9.640 -1.605 6.550 1.00 0.00 C ATOM 0 H THR A 11 -8.411 -3.834 9.543 1.00 0.00 H new ATOM 0 HA THR A 11 -10.812 -3.634 8.080 1.00 0.00 H new ATOM 0 HB THR A 11 -8.044 -2.426 7.742 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.340 -0.700 8.869 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.178 -0.619 6.500 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.384 -2.172 5.655 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.723 -1.495 6.612 1.00 0.00 H new ATOM 192 N LEU A 12 -8.347 -4.930 6.356 1.00 0.00 N ATOM 193 CA LEU A 12 -8.057 -5.739 5.184 1.00 0.00 C ATOM 194 C LEU A 12 -9.029 -6.920 5.132 1.00 0.00 C ATOM 195 O LEU A 12 -9.666 -7.159 4.106 1.00 0.00 O ATOM 196 CB LEU A 12 -6.584 -6.154 5.171 1.00 0.00 C ATOM 197 CG LEU A 12 -5.810 -5.837 3.890 1.00 0.00 C ATOM 198 CD1 LEU A 12 -5.081 -4.497 4.008 1.00 0.00 C ATOM 199 CD2 LEU A 12 -4.857 -6.979 3.529 1.00 0.00 C ATOM 0 H LEU A 12 -7.528 -4.654 6.898 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.209 -5.160 4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.082 -5.665 6.006 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.528 -7.228 5.350 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.525 -5.744 3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.539 -4.295 3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.806 -3.702 4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.378 -4.537 4.840 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.319 -6.729 2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.144 -7.128 4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.428 -7.894 3.375 1.00 0.00 H new ATOM 211 N LYS A 13 -9.112 -7.627 6.249 1.00 0.00 N ATOM 212 CA LYS A 13 -9.995 -8.777 6.343 1.00 0.00 C ATOM 213 C LYS A 13 -11.449 -8.302 6.308 1.00 0.00 C ATOM 214 O LYS A 13 -12.334 -9.032 5.864 1.00 0.00 O ATOM 215 CB LYS A 13 -9.652 -9.616 7.575 1.00 0.00 C ATOM 216 CG LYS A 13 -9.928 -11.100 7.322 1.00 0.00 C ATOM 217 CD LYS A 13 -8.622 -11.879 7.150 1.00 0.00 C ATOM 218 CE LYS A 13 -8.827 -13.103 6.256 1.00 0.00 C ATOM 219 NZ LYS A 13 -7.582 -13.897 6.170 1.00 0.00 N ATOM 0 H LYS A 13 -8.582 -7.426 7.097 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.854 -9.437 5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.602 -9.477 7.834 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.239 -9.273 8.427 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.496 -11.515 8.154 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.543 -11.212 6.429 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.862 -11.230 6.715 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.252 -12.195 8.125 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.632 -13.721 6.654 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.132 -12.785 5.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.739 -14.724 5.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.823 -13.310 5.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.307 -14.216 7.121 1.00 0.00 H new ATOM 233 N ARG A 14 -11.651 -7.081 6.782 1.00 0.00 N ATOM 234 CA ARG A 14 -12.983 -6.500 6.811 1.00 0.00 C ATOM 235 C ARG A 14 -13.413 -6.091 5.400 1.00 0.00 C ATOM 236 O ARG A 14 -14.606 -6.041 5.101 1.00 0.00 O ATOM 237 CB ARG A 14 -13.029 -5.274 7.726 1.00 0.00 C ATOM 238 CG ARG A 14 -14.470 -4.813 7.950 1.00 0.00 C ATOM 239 CD ARG A 14 -14.525 -3.652 8.945 1.00 0.00 C ATOM 240 NE ARG A 14 -14.492 -2.362 8.220 1.00 0.00 N ATOM 241 CZ ARG A 14 -14.883 -1.193 8.747 1.00 0.00 C ATOM 242 NH1 ARG A 14 -15.337 -1.146 10.007 1.00 0.00 N ATOM 243 NH2 ARG A 14 -14.817 -0.073 8.016 1.00 0.00 N ATOM 0 H ARG A 14 -10.915 -6.478 7.149 1.00 0.00 H new ATOM 0 HA ARG A 14 -13.667 -7.255 7.199 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.566 -5.513 8.684 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.448 -4.464 7.285 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -14.909 -4.505 7.001 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -15.068 -5.645 8.322 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -15.433 -3.719 9.544 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -13.683 -3.713 9.634 1.00 0.00 H new ATOM 0 HE ARG A 14 -14.150 -2.363 7.259 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -15.385 -1.999 10.564 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -15.635 -0.257 10.409 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -14.469 -0.109 7.058 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -15.115 0.816 8.417 1.00 0.00 H new ATOM 257 N ASN A 15 -12.420 -5.810 4.570 1.00 0.00 N ATOM 258 CA ASN A 15 -12.681 -5.407 3.200 1.00 0.00 C ATOM 259 C ASN A 15 -12.717 -6.649 2.306 1.00 0.00 C ATOM 260 O ASN A 15 -13.561 -6.753 1.416 1.00 0.00 O ATOM 261 CB ASN A 15 -11.580 -4.482 2.678 1.00 0.00 C ATOM 262 CG ASN A 15 -12.170 -3.345 1.839 1.00 0.00 C ATOM 263 OD1 ASN A 15 -12.499 -3.505 0.675 1.00 0.00 O ATOM 264 ND2 ASN A 15 -12.285 -2.193 2.493 1.00 0.00 N ATOM 0 H ASN A 15 -11.432 -5.854 4.821 1.00 0.00 H new ATOM 0 HA ASN A 15 -13.635 -4.880 3.180 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.021 -4.067 3.517 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -10.874 -5.054 2.076 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -12.668 -1.374 2.020 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.990 -2.128 3.467 1.00 0.00 H new ATOM 271 N GLY A 16 -11.792 -7.559 2.574 1.00 0.00 N ATOM 272 CA GLY A 16 -11.709 -8.789 1.805 1.00 0.00 C ATOM 273 C GLY A 16 -10.471 -8.789 0.905 1.00 0.00 C ATOM 274 O GLY A 16 -10.569 -9.065 -0.290 1.00 0.00 O ATOM 0 H GLY A 16 -11.094 -7.469 3.312 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.672 -9.643 2.481 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.606 -8.903 1.196 1.00 0.00 H new ATOM 278 N MET A 17 -9.336 -8.478 1.513 1.00 0.00 N ATOM 279 CA MET A 17 -8.081 -8.439 0.781 1.00 0.00 C ATOM 280 C MET A 17 -7.040 -9.354 1.429 1.00 0.00 C ATOM 281 O MET A 17 -6.289 -10.037 0.733 1.00 0.00 O ATOM 282 CB MET A 17 -7.553 -7.004 0.751 1.00 0.00 C ATOM 283 CG MET A 17 -7.129 -6.605 -0.664 1.00 0.00 C ATOM 284 SD MET A 17 -5.391 -6.198 -0.690 1.00 0.00 S ATOM 285 CE MET A 17 -5.276 -5.430 -2.296 1.00 0.00 C ATOM 0 H MET A 17 -9.259 -8.251 2.504 1.00 0.00 H new ATOM 0 HA MET A 17 -8.263 -8.790 -0.235 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.324 -6.322 1.110 1.00 0.00 H new ATOM 0 HB3 MET A 17 -6.704 -6.911 1.429 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.330 -7.422 -1.357 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.716 -5.751 -1.001 1.00 0.00 H new ATOM 0 HE1 MET A 17 -4.420 -4.756 -2.316 1.00 0.00 H new ATOM 0 HE2 MET A 17 -5.151 -6.199 -3.059 1.00 0.00 H new ATOM 0 HE3 MET A 17 -6.187 -4.866 -2.495 1.00 0.00 H new ATOM 295 N ALA A 18 -7.029 -9.338 2.754 1.00 0.00 N ATOM 296 CA ALA A 18 -6.092 -10.158 3.503 1.00 0.00 C ATOM 297 C ALA A 18 -6.102 -11.581 2.941 1.00 0.00 C ATOM 298 O ALA A 18 -7.099 -12.292 3.061 1.00 0.00 O ATOM 299 CB ALA A 18 -6.451 -10.115 4.989 1.00 0.00 C ATOM 0 H ALA A 18 -7.653 -8.771 3.327 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.078 -9.772 3.401 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.748 -10.730 5.551 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.399 -9.086 5.346 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.462 -10.498 5.130 1.00 0.00 H new ATOM 305 N GLY A 19 -4.983 -11.954 2.339 1.00 0.00 N ATOM 306 CA GLY A 19 -4.851 -13.279 1.759 1.00 0.00 C ATOM 307 C GLY A 19 -5.310 -13.287 0.299 1.00 0.00 C ATOM 308 O GLY A 19 -5.765 -14.311 -0.207 1.00 0.00 O ATOM 0 H GLY A 19 -4.159 -11.361 2.240 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.812 -13.604 1.819 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.442 -13.992 2.334 1.00 0.00 H new ATOM 312 N TYR A 20 -5.174 -12.132 -0.336 1.00 0.00 N ATOM 313 CA TYR A 20 -5.568 -11.992 -1.728 1.00 0.00 C ATOM 314 C TYR A 20 -5.020 -13.144 -2.571 1.00 0.00 C ATOM 315 O TYR A 20 -4.319 -14.016 -2.059 1.00 0.00 O ATOM 316 CB TYR A 20 -4.946 -10.680 -2.212 1.00 0.00 C ATOM 317 CG TYR A 20 -5.501 -10.186 -3.549 1.00 0.00 C ATOM 318 CD1 TYR A 20 -6.832 -9.836 -3.657 1.00 0.00 C ATOM 319 CD2 TYR A 20 -4.671 -10.088 -4.647 1.00 0.00 C ATOM 320 CE1 TYR A 20 -7.354 -9.371 -4.916 1.00 0.00 C ATOM 321 CE2 TYR A 20 -5.193 -9.623 -5.906 1.00 0.00 C ATOM 322 CZ TYR A 20 -6.509 -9.287 -5.978 1.00 0.00 C ATOM 323 OH TYR A 20 -7.002 -8.847 -7.167 1.00 0.00 O ATOM 0 H TYR A 20 -4.796 -11.284 0.088 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.654 -12.000 -1.823 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.109 -9.912 -1.456 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.868 -10.813 -2.304 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.482 -9.911 -2.797 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.629 -10.360 -4.562 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.394 -9.095 -5.015 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.554 -9.543 -6.773 1.00 0.00 H new ATOM 0 HH TYR A 20 -6.285 -8.838 -7.835 1.00 0.00 H new ATOM 333 N TYR A 21 -5.362 -13.112 -3.851 1.00 0.00 N ATOM 334 CA TYR A 21 -4.912 -14.144 -4.772 1.00 0.00 C ATOM 335 C TYR A 21 -3.507 -14.628 -4.409 1.00 0.00 C ATOM 336 O TYR A 21 -3.296 -15.819 -4.183 1.00 0.00 O ATOM 337 CB TYR A 21 -4.873 -13.488 -6.152 1.00 0.00 C ATOM 338 CG TYR A 21 -5.974 -13.967 -7.101 1.00 0.00 C ATOM 339 CD1 TYR A 21 -5.787 -15.106 -7.856 1.00 0.00 C ATOM 340 CD2 TYR A 21 -7.154 -13.260 -7.200 1.00 0.00 C ATOM 341 CE1 TYR A 21 -6.823 -15.557 -8.749 1.00 0.00 C ATOM 342 CE2 TYR A 21 -8.192 -13.711 -8.092 1.00 0.00 C ATOM 343 CZ TYR A 21 -7.974 -14.837 -8.823 1.00 0.00 C ATOM 344 OH TYR A 21 -8.953 -15.262 -9.665 1.00 0.00 O ATOM 0 H TYR A 21 -5.945 -12.389 -4.272 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.578 -15.006 -4.738 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.956 -12.408 -6.032 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.903 -13.684 -6.609 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.863 -15.660 -7.777 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.300 -12.368 -6.609 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.689 -16.447 -9.346 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -9.121 -13.168 -8.178 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.717 -14.651 -9.613 1.00 0.00 H new ATOM 354 N GLY A 22 -2.582 -13.680 -4.364 1.00 0.00 N ATOM 355 CA GLY A 22 -1.203 -13.995 -4.033 1.00 0.00 C ATOM 356 C GLY A 22 -0.786 -13.322 -2.724 1.00 0.00 C ATOM 357 O GLY A 22 -0.479 -13.998 -1.743 1.00 0.00 O ATOM 0 H GLY A 22 -2.761 -12.693 -4.551 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.084 -15.075 -3.945 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.548 -13.667 -4.840 1.00 0.00 H new ATOM 361 N VAL A 23 -0.787 -11.996 -2.752 1.00 0.00 N ATOM 362 CA VAL A 23 -0.413 -11.224 -1.580 1.00 0.00 C ATOM 363 C VAL A 23 -1.070 -11.833 -0.340 1.00 0.00 C ATOM 364 O VAL A 23 -2.295 -11.917 -0.260 1.00 0.00 O ATOM 365 CB VAL A 23 -0.775 -9.751 -1.785 1.00 0.00 C ATOM 366 CG1 VAL A 23 -0.137 -8.874 -0.708 1.00 0.00 C ATOM 367 CG2 VAL A 23 -0.377 -9.280 -3.185 1.00 0.00 C ATOM 0 H VAL A 23 -1.041 -11.438 -3.567 1.00 0.00 H new ATOM 0 HA VAL A 23 0.666 -11.262 -1.428 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.857 -9.656 -1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.410 -7.833 -0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.492 -9.187 0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.947 -8.976 -0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.645 -8.230 -3.306 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.699 -9.397 -3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.901 -9.876 -3.932 1.00 0.00 H new ATOM 377 N SER A 24 -0.228 -12.243 0.597 1.00 0.00 N ATOM 378 CA SER A 24 -0.712 -12.843 1.828 1.00 0.00 C ATOM 379 C SER A 24 -0.945 -11.758 2.882 1.00 0.00 C ATOM 380 O SER A 24 -0.229 -10.759 2.918 1.00 0.00 O ATOM 381 CB SER A 24 0.271 -13.891 2.354 1.00 0.00 C ATOM 382 OG SER A 24 -0.385 -15.104 2.717 1.00 0.00 O ATOM 0 H SER A 24 0.787 -12.171 0.528 1.00 0.00 H new ATOM 0 HA SER A 24 -1.656 -13.344 1.616 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.022 -14.099 1.591 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.799 -13.491 3.220 1.00 0.00 H new ATOM 0 HG SER A 24 0.276 -15.748 3.046 1.00 0.00 H new ATOM 388 N LEU A 25 -1.950 -11.992 3.713 1.00 0.00 N ATOM 389 CA LEU A 25 -2.287 -11.048 4.765 1.00 0.00 C ATOM 390 C LEU A 25 -1.003 -10.572 5.447 1.00 0.00 C ATOM 391 O LEU A 25 -0.823 -9.376 5.674 1.00 0.00 O ATOM 392 CB LEU A 25 -3.304 -11.660 5.729 1.00 0.00 C ATOM 393 CG LEU A 25 -3.535 -10.896 7.035 1.00 0.00 C ATOM 394 CD1 LEU A 25 -3.932 -9.445 6.759 1.00 0.00 C ATOM 395 CD2 LEU A 25 -4.560 -11.613 7.916 1.00 0.00 C ATOM 0 H LEU A 25 -2.542 -12.822 3.679 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.772 -10.167 4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.258 -11.750 5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.979 -12.671 5.975 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.596 -10.873 7.587 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.090 -8.925 7.704 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.137 -8.950 6.201 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.852 -9.424 6.175 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.705 -11.049 8.837 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.508 -11.689 7.383 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.198 -12.613 8.156 1.00 0.00 H new ATOM 407 N ALA A 26 -0.144 -11.532 5.756 1.00 0.00 N ATOM 408 CA ALA A 26 1.119 -11.225 6.408 1.00 0.00 C ATOM 409 C ALA A 26 1.953 -10.324 5.495 1.00 0.00 C ATOM 410 O ALA A 26 2.599 -9.388 5.964 1.00 0.00 O ATOM 411 CB ALA A 26 1.841 -12.527 6.760 1.00 0.00 C ATOM 0 H ALA A 26 -0.297 -12.523 5.567 1.00 0.00 H new ATOM 0 HA ALA A 26 0.949 -10.684 7.339 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.788 -12.297 7.249 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.219 -13.117 7.433 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.031 -13.095 5.849 1.00 0.00 H new ATOM 417 N ASP A 27 1.912 -10.638 4.209 1.00 0.00 N ATOM 418 CA ASP A 27 2.656 -9.868 3.226 1.00 0.00 C ATOM 419 C ASP A 27 2.103 -8.442 3.176 1.00 0.00 C ATOM 420 O ASP A 27 2.858 -7.484 3.014 1.00 0.00 O ATOM 421 CB ASP A 27 2.520 -10.477 1.831 1.00 0.00 C ATOM 422 CG ASP A 27 3.055 -11.904 1.692 1.00 0.00 C ATOM 423 OD1 ASP A 27 3.632 -12.392 2.687 1.00 0.00 O ATOM 424 OD2 ASP A 27 2.873 -12.474 0.595 1.00 0.00 O ATOM 0 H ASP A 27 1.375 -11.415 3.824 1.00 0.00 H new ATOM 0 HA ASP A 27 3.706 -9.872 3.520 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.467 -10.471 1.550 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.043 -9.838 1.120 1.00 0.00 H new ATOM 429 N TRP A 28 0.789 -8.346 3.319 1.00 0.00 N ATOM 430 CA TRP A 28 0.126 -7.054 3.291 1.00 0.00 C ATOM 431 C TRP A 28 0.589 -6.259 4.515 1.00 0.00 C ATOM 432 O TRP A 28 1.117 -5.157 4.379 1.00 0.00 O ATOM 433 CB TRP A 28 -1.394 -7.218 3.226 1.00 0.00 C ATOM 434 CG TRP A 28 -1.933 -7.465 1.815 1.00 0.00 C ATOM 435 CD1 TRP A 28 -2.730 -8.458 1.398 1.00 0.00 C ATOM 436 CD2 TRP A 28 -1.680 -6.660 0.645 1.00 0.00 C ATOM 437 NE1 TRP A 28 -3.007 -8.353 0.051 1.00 0.00 N ATOM 438 CE2 TRP A 28 -2.349 -7.223 -0.422 1.00 0.00 C ATOM 439 CE3 TRP A 28 -0.911 -5.492 0.492 1.00 0.00 C ATOM 440 CZ2 TRP A 28 -2.317 -6.690 -1.715 1.00 0.00 C ATOM 441 CZ3 TRP A 28 -0.889 -4.971 -0.806 1.00 0.00 C ATOM 442 CH2 TRP A 28 -1.558 -5.528 -1.891 1.00 0.00 C ATOM 0 H TRP A 28 0.166 -9.142 3.455 1.00 0.00 H new ATOM 0 HA TRP A 28 0.398 -6.501 2.392 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.687 -8.050 3.867 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.864 -6.322 3.632 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.108 -9.242 2.037 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.588 -8.987 -0.497 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.379 -5.033 1.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.850 -7.151 -2.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.313 -4.074 -0.978 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.492 -5.066 -2.865 1.00 0.00 H new ATOM 453 N VAL A 29 0.373 -6.850 5.680 1.00 0.00 N ATOM 454 CA VAL A 29 0.761 -6.211 6.926 1.00 0.00 C ATOM 455 C VAL A 29 2.251 -5.865 6.873 1.00 0.00 C ATOM 456 O VAL A 29 2.625 -4.699 6.993 1.00 0.00 O ATOM 457 CB VAL A 29 0.398 -7.108 8.110 1.00 0.00 C ATOM 458 CG1 VAL A 29 1.022 -6.586 9.406 1.00 0.00 C ATOM 459 CG2 VAL A 29 -1.120 -7.244 8.249 1.00 0.00 C ATOM 0 H VAL A 29 -0.066 -7.764 5.788 1.00 0.00 H new ATOM 0 HA VAL A 29 0.214 -5.278 7.063 1.00 0.00 H new ATOM 0 HB VAL A 29 0.808 -8.099 7.917 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.748 -7.242 10.232 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.107 -6.564 9.304 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.656 -5.579 9.606 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.351 -7.887 9.098 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.560 -6.260 8.408 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.531 -7.682 7.340 1.00 0.00 H new ATOM 469 N CYS A 30 3.060 -6.898 6.695 1.00 0.00 N ATOM 470 CA CYS A 30 4.501 -6.718 6.626 1.00 0.00 C ATOM 471 C CYS A 30 4.798 -5.612 5.610 1.00 0.00 C ATOM 472 O CYS A 30 5.639 -4.750 5.855 1.00 0.00 O ATOM 473 CB CYS A 30 5.217 -8.024 6.275 1.00 0.00 C ATOM 474 SG CYS A 30 5.502 -8.285 4.486 1.00 0.00 S ATOM 0 H CYS A 30 2.746 -7.863 6.596 1.00 0.00 H new ATOM 0 HA CYS A 30 4.882 -6.423 7.604 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.178 -8.045 6.789 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.631 -8.858 6.661 1.00 0.00 H new ATOM 479 N LEU A 31 4.090 -5.674 4.492 1.00 0.00 N ATOM 480 CA LEU A 31 4.268 -4.690 3.438 1.00 0.00 C ATOM 481 C LEU A 31 3.895 -3.305 3.972 1.00 0.00 C ATOM 482 O LEU A 31 4.717 -2.391 3.965 1.00 0.00 O ATOM 483 CB LEU A 31 3.488 -5.096 2.187 1.00 0.00 C ATOM 484 CG LEU A 31 3.386 -4.039 1.087 1.00 0.00 C ATOM 485 CD1 LEU A 31 4.752 -3.776 0.451 1.00 0.00 C ATOM 486 CD2 LEU A 31 2.335 -4.430 0.046 1.00 0.00 C ATOM 0 H LEU A 31 3.392 -6.391 4.293 1.00 0.00 H new ATOM 0 HA LEU A 31 5.313 -4.645 3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.955 -5.986 1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.479 -5.377 2.488 1.00 0.00 H new ATOM 0 HG LEU A 31 3.057 -3.104 1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.651 -3.020 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.446 -3.421 1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.134 -4.699 0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.283 -3.661 -0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.610 -5.382 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.363 -4.526 0.529 1.00 0.00 H new ATOM 498 N ALA A 32 2.653 -3.194 4.423 1.00 0.00 N ATOM 499 CA ALA A 32 2.161 -1.937 4.959 1.00 0.00 C ATOM 500 C ALA A 32 3.063 -1.492 6.113 1.00 0.00 C ATOM 501 O ALA A 32 3.149 -0.302 6.415 1.00 0.00 O ATOM 502 CB ALA A 32 0.702 -2.102 5.391 1.00 0.00 C ATOM 0 H ALA A 32 1.973 -3.955 4.428 1.00 0.00 H new ATOM 0 HA ALA A 32 2.190 -1.158 4.197 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.333 -1.159 5.793 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.098 -2.391 4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.635 -2.874 6.157 1.00 0.00 H new ATOM 508 N GLN A 33 3.714 -2.471 6.725 1.00 0.00 N ATOM 509 CA GLN A 33 4.606 -2.194 7.838 1.00 0.00 C ATOM 510 C GLN A 33 5.889 -1.528 7.337 1.00 0.00 C ATOM 511 O GLN A 33 6.251 -0.446 7.796 1.00 0.00 O ATOM 512 CB GLN A 33 4.921 -3.471 8.619 1.00 0.00 C ATOM 513 CG GLN A 33 5.404 -3.145 10.032 1.00 0.00 C ATOM 514 CD GLN A 33 4.359 -2.329 10.795 1.00 0.00 C ATOM 515 OE1 GLN A 33 3.252 -2.773 11.051 1.00 0.00 O ATOM 516 NE2 GLN A 33 4.770 -1.112 11.142 1.00 0.00 N ATOM 0 H GLN A 33 3.641 -3.456 6.471 1.00 0.00 H new ATOM 0 HA GLN A 33 4.104 -1.506 8.518 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.031 -4.098 8.671 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.685 -4.044 8.093 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.613 -4.069 10.571 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.339 -2.587 9.981 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.710 -0.802 10.896 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.145 -0.489 11.654 1.00 0.00 H new ATOM 525 N HIS A 34 6.541 -2.202 6.402 1.00 0.00 N ATOM 526 CA HIS A 34 7.776 -1.688 5.833 1.00 0.00 C ATOM 527 C HIS A 34 7.508 -0.343 5.155 1.00 0.00 C ATOM 528 O HIS A 34 8.418 0.470 5.001 1.00 0.00 O ATOM 529 CB HIS A 34 8.407 -2.713 4.889 1.00 0.00 C ATOM 530 CG HIS A 34 9.895 -2.537 4.696 1.00 0.00 C ATOM 531 ND1 HIS A 34 10.805 -3.555 4.923 1.00 0.00 N ATOM 532 CD2 HIS A 34 10.620 -1.453 4.296 1.00 0.00 C ATOM 533 CE1 HIS A 34 12.020 -3.092 4.668 1.00 0.00 C ATOM 534 NE2 HIS A 34 11.903 -1.790 4.280 1.00 0.00 N ATOM 0 H HIS A 34 6.238 -3.100 6.024 1.00 0.00 H new ATOM 0 HA HIS A 34 8.503 -1.516 6.627 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.217 -3.714 5.277 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.915 -2.649 3.918 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.218 -0.485 4.036 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.942 -3.648 4.753 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.675 -1.176 4.020 1.00 0.00 H new ATOM 543 N GLU A 35 6.256 -0.151 4.767 1.00 0.00 N ATOM 544 CA GLU A 35 5.857 1.082 4.109 1.00 0.00 C ATOM 545 C GLU A 35 5.773 2.222 5.125 1.00 0.00 C ATOM 546 O GLU A 35 6.466 3.229 4.992 1.00 0.00 O ATOM 547 CB GLU A 35 4.528 0.904 3.371 1.00 0.00 C ATOM 548 CG GLU A 35 4.684 -0.045 2.182 1.00 0.00 C ATOM 549 CD GLU A 35 5.264 0.685 0.970 1.00 0.00 C ATOM 550 OE1 GLU A 35 6.233 1.446 1.176 1.00 0.00 O ATOM 551 OE2 GLU A 35 4.724 0.466 -0.137 1.00 0.00 O ATOM 0 H GLU A 35 5.504 -0.828 4.896 1.00 0.00 H new ATOM 0 HA GLU A 35 6.614 1.338 3.368 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.777 0.513 4.057 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.169 1.872 3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.335 -0.874 2.457 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.715 -0.473 1.924 1.00 0.00 H new ATOM 558 N SER A 36 4.916 2.027 6.117 1.00 0.00 N ATOM 559 CA SER A 36 4.732 3.028 7.155 1.00 0.00 C ATOM 560 C SER A 36 3.751 2.512 8.209 1.00 0.00 C ATOM 561 O SER A 36 4.112 2.355 9.374 1.00 0.00 O ATOM 562 CB SER A 36 4.234 4.348 6.564 1.00 0.00 C ATOM 563 OG SER A 36 4.395 5.433 7.474 1.00 0.00 O ATOM 0 H SER A 36 4.342 1.191 6.224 1.00 0.00 H new ATOM 0 HA SER A 36 5.697 3.215 7.627 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.778 4.562 5.644 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.182 4.252 6.297 1.00 0.00 H new ATOM 0 HG SER A 36 3.801 6.168 7.215 1.00 0.00 H new ATOM 569 N ASN A 37 2.528 2.265 7.762 1.00 0.00 N ATOM 570 CA ASN A 37 1.491 1.771 8.652 1.00 0.00 C ATOM 571 C ASN A 37 1.335 2.735 9.830 1.00 0.00 C ATOM 572 O ASN A 37 1.892 3.832 9.817 1.00 0.00 O ATOM 573 CB ASN A 37 1.856 0.395 9.214 1.00 0.00 C ATOM 574 CG ASN A 37 0.603 -0.449 9.454 1.00 0.00 C ATOM 575 OD1 ASN A 37 0.289 -0.837 10.566 1.00 0.00 O ATOM 576 ND2 ASN A 37 -0.093 -0.710 8.351 1.00 0.00 N ATOM 0 H ASN A 37 2.232 2.398 6.795 1.00 0.00 H new ATOM 0 HA ASN A 37 0.566 1.694 8.081 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.519 -0.121 8.520 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.404 0.514 10.149 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.946 -1.266 8.406 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.226 -0.354 7.450 1.00 0.00 H new ATOM 583 N TYR A 38 0.574 2.292 10.820 1.00 0.00 N ATOM 584 CA TYR A 38 0.337 3.102 12.002 1.00 0.00 C ATOM 585 C TYR A 38 -0.345 4.422 11.636 1.00 0.00 C ATOM 586 O TYR A 38 -1.537 4.598 11.883 1.00 0.00 O ATOM 587 CB TYR A 38 1.717 3.401 12.592 1.00 0.00 C ATOM 588 CG TYR A 38 2.123 2.465 13.732 1.00 0.00 C ATOM 589 CD1 TYR A 38 2.089 1.097 13.546 1.00 0.00 C ATOM 590 CD2 TYR A 38 2.523 2.987 14.945 1.00 0.00 C ATOM 591 CE1 TYR A 38 2.471 0.216 14.619 1.00 0.00 C ATOM 592 CE2 TYR A 38 2.905 2.105 16.017 1.00 0.00 C ATOM 593 CZ TYR A 38 2.860 0.763 15.801 1.00 0.00 C ATOM 594 OH TYR A 38 3.221 -0.069 16.814 1.00 0.00 O ATOM 0 H TYR A 38 0.113 1.382 10.827 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.313 2.577 12.702 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.462 3.335 11.799 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.730 4.428 12.957 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.776 0.688 12.597 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.550 4.057 15.090 1.00 0.00 H new ATOM 0 HE1 TYR A 38 2.449 -0.856 14.488 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.220 2.500 16.971 1.00 0.00 H new ATOM 0 HH TYR A 38 3.477 0.461 17.598 1.00 0.00 H new ATOM 604 N ASN A 39 0.441 5.314 11.052 1.00 0.00 N ATOM 605 CA ASN A 39 -0.072 6.613 10.648 1.00 0.00 C ATOM 606 C ASN A 39 0.155 6.802 9.147 1.00 0.00 C ATOM 607 O ASN A 39 1.213 6.450 8.627 1.00 0.00 O ATOM 608 CB ASN A 39 0.652 7.743 11.383 1.00 0.00 C ATOM 609 CG ASN A 39 0.803 7.421 12.871 1.00 0.00 C ATOM 610 OD1 ASN A 39 0.524 6.325 13.327 1.00 0.00 O ATOM 611 ND2 ASN A 39 1.261 8.435 13.600 1.00 0.00 N ATOM 0 H ASN A 39 1.429 5.163 10.849 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.134 6.647 10.891 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.635 7.899 10.939 1.00 0.00 H new ATOM 0 HB3 ASN A 39 0.097 8.674 11.263 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.398 8.320 14.604 1.00 0.00 H new ATOM 0 HD22 ASN A 39 1.475 9.327 13.155 1.00 0.00 H new ATOM 618 N THR A 40 -0.854 7.358 8.493 1.00 0.00 N ATOM 619 CA THR A 40 -0.778 7.598 7.063 1.00 0.00 C ATOM 620 C THR A 40 -0.009 8.890 6.780 1.00 0.00 C ATOM 621 O THR A 40 -0.546 9.817 6.175 1.00 0.00 O ATOM 622 CB THR A 40 -2.203 7.606 6.507 1.00 0.00 C ATOM 623 OG1 THR A 40 -2.879 8.581 7.297 1.00 0.00 O ATOM 624 CG2 THR A 40 -2.953 6.304 6.801 1.00 0.00 C ATOM 0 H THR A 40 -1.729 7.649 8.928 1.00 0.00 H new ATOM 0 HA THR A 40 -0.222 6.807 6.559 1.00 0.00 H new ATOM 0 HB THR A 40 -2.171 7.772 5.430 1.00 0.00 H new ATOM 0 HG1 THR A 40 -3.811 8.652 7.002 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.959 6.362 6.385 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.421 5.467 6.348 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.014 6.155 7.879 1.00 0.00 H new ATOM 632 N ARG A 41 1.237 8.910 7.230 1.00 0.00 N ATOM 633 CA ARG A 41 2.086 10.072 7.032 1.00 0.00 C ATOM 634 C ARG A 41 3.075 9.820 5.892 1.00 0.00 C ATOM 635 O ARG A 41 3.688 10.756 5.380 1.00 0.00 O ATOM 636 CB ARG A 41 2.862 10.412 8.306 1.00 0.00 C ATOM 637 CG ARG A 41 3.689 11.685 8.123 1.00 0.00 C ATOM 638 CD ARG A 41 4.124 12.256 9.474 1.00 0.00 C ATOM 639 NE ARG A 41 5.599 12.230 9.584 1.00 0.00 N ATOM 640 CZ ARG A 41 6.409 13.154 9.051 1.00 0.00 C ATOM 641 NH1 ARG A 41 5.892 14.184 8.368 1.00 0.00 N ATOM 642 NH2 ARG A 41 7.737 13.049 9.201 1.00 0.00 N ATOM 0 H ARG A 41 1.679 8.139 7.731 1.00 0.00 H new ATOM 0 HA ARG A 41 1.441 10.913 6.778 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.167 10.542 9.135 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.519 9.582 8.568 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.568 11.468 7.516 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.104 12.428 7.582 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.761 13.278 9.579 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.681 11.675 10.283 1.00 0.00 H new ATOM 0 HE ARG A 41 6.026 11.460 10.098 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.882 14.265 8.254 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.509 14.888 7.962 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.131 12.265 9.721 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.353 13.753 8.795 1.00 0.00 H new ATOM 656 N ALA A 42 3.200 8.553 5.530 1.00 0.00 N ATOM 657 CA ALA A 42 4.105 8.166 4.461 1.00 0.00 C ATOM 658 C ALA A 42 3.819 9.018 3.223 1.00 0.00 C ATOM 659 O ALA A 42 2.969 8.668 2.406 1.00 0.00 O ATOM 660 CB ALA A 42 3.957 6.668 4.184 1.00 0.00 C ATOM 0 H ALA A 42 2.690 7.780 5.958 1.00 0.00 H new ATOM 0 HA ALA A 42 5.140 8.344 4.752 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.636 6.377 3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.199 6.106 5.086 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.931 6.453 3.886 1.00 0.00 H new ATOM 666 N THR A 43 4.545 10.122 3.123 1.00 0.00 N ATOM 667 CA THR A 43 4.380 11.027 1.999 1.00 0.00 C ATOM 668 C THR A 43 5.742 11.517 1.504 1.00 0.00 C ATOM 669 O THR A 43 6.596 11.899 2.303 1.00 0.00 O ATOM 670 CB THR A 43 3.449 12.160 2.437 1.00 0.00 C ATOM 671 OG1 THR A 43 3.906 12.499 3.744 1.00 0.00 O ATOM 672 CG2 THR A 43 2.011 11.685 2.656 1.00 0.00 C ATOM 0 H THR A 43 5.249 10.410 3.803 1.00 0.00 H new ATOM 0 HA THR A 43 3.923 10.522 1.148 1.00 0.00 H new ATOM 0 HB THR A 43 3.460 12.949 1.686 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.367 12.026 4.412 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.393 12.528 2.965 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.620 11.269 1.727 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.995 10.919 3.431 1.00 0.00 H new ATOM 680 N ASN A 44 5.903 11.490 0.189 1.00 0.00 N ATOM 681 CA ASN A 44 7.147 11.926 -0.422 1.00 0.00 C ATOM 682 C ASN A 44 6.855 12.496 -1.812 1.00 0.00 C ATOM 683 O ASN A 44 6.814 11.757 -2.794 1.00 0.00 O ATOM 684 CB ASN A 44 8.121 10.758 -0.585 1.00 0.00 C ATOM 685 CG ASN A 44 9.550 11.183 -0.240 1.00 0.00 C ATOM 686 OD1 ASN A 44 9.990 11.105 0.895 1.00 0.00 O ATOM 687 ND2 ASN A 44 10.245 11.635 -1.279 1.00 0.00 N ATOM 0 H ASN A 44 5.192 11.173 -0.470 1.00 0.00 H new ATOM 0 HA ASN A 44 7.594 12.680 0.226 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.817 9.934 0.060 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.085 10.390 -1.610 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.209 11.943 -1.152 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.814 11.673 -2.203 1.00 0.00 H new ATOM 694 N TYR A 45 6.660 13.806 -1.851 1.00 0.00 N ATOM 695 CA TYR A 45 6.373 14.483 -3.104 1.00 0.00 C ATOM 696 C TYR A 45 7.664 14.913 -3.803 1.00 0.00 C ATOM 697 O TYR A 45 8.692 15.103 -3.153 1.00 0.00 O ATOM 698 CB TYR A 45 5.567 15.730 -2.735 1.00 0.00 C ATOM 699 CG TYR A 45 6.388 16.818 -2.039 1.00 0.00 C ATOM 700 CD1 TYR A 45 7.138 17.702 -2.789 1.00 0.00 C ATOM 701 CD2 TYR A 45 6.378 16.916 -0.663 1.00 0.00 C ATOM 702 CE1 TYR A 45 7.910 18.726 -2.134 1.00 0.00 C ATOM 703 CE2 TYR A 45 7.150 17.939 -0.008 1.00 0.00 C ATOM 704 CZ TYR A 45 7.879 18.794 -0.776 1.00 0.00 C ATOM 705 OH TYR A 45 8.608 19.761 -0.157 1.00 0.00 O ATOM 0 H TYR A 45 6.695 14.417 -1.035 1.00 0.00 H new ATOM 0 HA TYR A 45 5.833 13.822 -3.782 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.125 16.146 -3.641 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.743 15.438 -2.084 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.146 17.625 -3.866 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.791 16.225 -0.077 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.500 19.424 -2.708 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.151 18.026 1.068 1.00 0.00 H new ATOM 0 HH TYR A 45 8.489 19.690 0.813 1.00 0.00 H new ATOM 715 N ASN A 46 7.570 15.055 -5.116 1.00 0.00 N ATOM 716 CA ASN A 46 8.718 15.459 -5.910 1.00 0.00 C ATOM 717 C ASN A 46 8.237 15.978 -7.267 1.00 0.00 C ATOM 718 O ASN A 46 7.869 15.195 -8.141 1.00 0.00 O ATOM 719 CB ASN A 46 9.657 14.278 -6.162 1.00 0.00 C ATOM 720 CG ASN A 46 10.321 13.818 -4.863 1.00 0.00 C ATOM 721 OD1 ASN A 46 9.852 12.923 -4.179 1.00 0.00 O ATOM 722 ND2 ASN A 46 11.435 14.479 -4.561 1.00 0.00 N ATOM 0 H ASN A 46 6.716 14.897 -5.651 1.00 0.00 H new ATOM 0 HA ASN A 46 9.252 16.234 -5.360 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.098 13.452 -6.601 1.00 0.00 H new ATOM 0 HB3 ASN A 46 10.422 14.565 -6.884 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.952 14.247 -3.713 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.773 15.218 -5.178 1.00 0.00 H new ATOM 729 N ARG A 47 8.256 17.296 -7.401 1.00 0.00 N ATOM 730 CA ARG A 47 7.827 17.930 -8.636 1.00 0.00 C ATOM 731 C ARG A 47 8.898 17.768 -9.716 1.00 0.00 C ATOM 732 O ARG A 47 8.584 17.705 -10.903 1.00 0.00 O ATOM 733 CB ARG A 47 7.547 19.419 -8.423 1.00 0.00 C ATOM 734 CG ARG A 47 6.385 19.889 -9.300 1.00 0.00 C ATOM 735 CD ARG A 47 6.064 21.362 -9.040 1.00 0.00 C ATOM 736 NE ARG A 47 7.176 22.215 -9.515 1.00 0.00 N ATOM 737 CZ ARG A 47 8.228 22.565 -8.763 1.00 0.00 C ATOM 738 NH1 ARG A 47 8.317 22.137 -7.496 1.00 0.00 N ATOM 739 NH2 ARG A 47 9.191 23.343 -9.277 1.00 0.00 N ATOM 0 H ARG A 47 8.562 17.943 -6.674 1.00 0.00 H new ATOM 0 HA ARG A 47 6.907 17.442 -8.957 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.313 19.602 -7.374 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.441 19.998 -8.656 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.637 19.748 -10.351 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.504 19.280 -9.099 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.141 21.637 -9.550 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.900 21.524 -7.975 1.00 0.00 H new ATOM 0 HE ARG A 47 7.139 22.558 -10.475 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.584 21.545 -7.105 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.118 22.403 -6.923 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.123 23.669 -10.241 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.992 23.609 -8.704 1.00 0.00 H new ATOM 753 N GLY A 48 10.143 17.706 -9.265 1.00 0.00 N ATOM 754 CA GLY A 48 11.263 17.552 -10.178 1.00 0.00 C ATOM 755 C GLY A 48 10.870 16.711 -11.392 1.00 0.00 C ATOM 756 O GLY A 48 11.239 17.031 -12.521 1.00 0.00 O ATOM 0 H GLY A 48 10.400 17.760 -8.279 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.606 18.533 -10.507 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.097 17.080 -9.659 1.00 0.00 H new ATOM 760 N ASP A 49 10.124 15.649 -11.120 1.00 0.00 N ATOM 761 CA ASP A 49 9.676 14.758 -12.177 1.00 0.00 C ATOM 762 C ASP A 49 8.184 14.470 -11.997 1.00 0.00 C ATOM 763 O ASP A 49 7.720 13.370 -12.290 1.00 0.00 O ATOM 764 CB ASP A 49 10.424 13.425 -12.127 1.00 0.00 C ATOM 765 CG ASP A 49 10.979 12.944 -13.470 1.00 0.00 C ATOM 766 OD1 ASP A 49 11.499 13.807 -14.210 1.00 0.00 O ATOM 767 OD2 ASP A 49 10.873 11.726 -13.725 1.00 0.00 O ATOM 0 H ASP A 49 9.819 15.386 -10.183 1.00 0.00 H new ATOM 0 HA ASP A 49 9.870 15.245 -13.133 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.250 13.515 -11.421 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.751 12.662 -11.735 1.00 0.00 H new ATOM 772 N GLN A 50 7.473 15.480 -11.517 1.00 0.00 N ATOM 773 CA GLN A 50 6.043 15.349 -11.294 1.00 0.00 C ATOM 774 C GLN A 50 5.709 13.937 -10.807 1.00 0.00 C ATOM 775 O GLN A 50 4.964 13.210 -11.463 1.00 0.00 O ATOM 776 CB GLN A 50 5.257 15.693 -12.561 1.00 0.00 C ATOM 777 CG GLN A 50 3.789 15.974 -12.236 1.00 0.00 C ATOM 778 CD GLN A 50 2.906 14.781 -12.606 1.00 0.00 C ATOM 779 OE1 GLN A 50 3.161 14.058 -13.555 1.00 0.00 O ATOM 780 NE2 GLN A 50 1.856 14.617 -11.807 1.00 0.00 N ATOM 0 H GLN A 50 7.860 16.392 -11.276 1.00 0.00 H new ATOM 0 HA GLN A 50 5.749 16.058 -10.520 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.700 16.565 -13.043 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.325 14.868 -13.270 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.684 16.193 -11.173 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.456 16.859 -12.778 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.701 15.259 -11.030 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.205 13.849 -11.971 1.00 0.00 H new ATOM 789 N SER A 51 6.275 13.592 -9.660 1.00 0.00 N ATOM 790 CA SER A 51 6.047 12.280 -9.078 1.00 0.00 C ATOM 791 C SER A 51 6.008 12.385 -7.552 1.00 0.00 C ATOM 792 O SER A 51 6.909 12.959 -6.943 1.00 0.00 O ATOM 793 CB SER A 51 7.126 11.288 -9.515 1.00 0.00 C ATOM 794 OG SER A 51 8.327 11.441 -8.763 1.00 0.00 O ATOM 0 H SER A 51 6.891 14.198 -9.118 1.00 0.00 H new ATOM 0 HA SER A 51 5.086 11.909 -9.435 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.752 10.271 -9.398 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.341 11.429 -10.574 1.00 0.00 H new ATOM 0 HG SER A 51 8.991 10.789 -9.070 1.00 0.00 H new ATOM 800 N THR A 52 4.954 11.821 -6.978 1.00 0.00 N ATOM 801 CA THR A 52 4.786 11.844 -5.536 1.00 0.00 C ATOM 802 C THR A 52 4.602 10.424 -4.998 1.00 0.00 C ATOM 803 O THR A 52 3.737 9.686 -5.467 1.00 0.00 O ATOM 804 CB THR A 52 3.616 12.774 -5.210 1.00 0.00 C ATOM 805 OG1 THR A 52 4.007 14.029 -5.759 1.00 0.00 O ATOM 806 CG2 THR A 52 3.485 13.047 -3.711 1.00 0.00 C ATOM 0 H THR A 52 4.209 11.346 -7.487 1.00 0.00 H new ATOM 0 HA THR A 52 5.676 12.233 -5.041 1.00 0.00 H new ATOM 0 HB THR A 52 2.690 12.335 -5.581 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.304 14.691 -5.594 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.640 13.712 -3.535 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.324 12.107 -3.183 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.398 13.516 -3.345 1.00 0.00 H new ATOM 814 N ASP A 53 5.431 10.083 -4.022 1.00 0.00 N ATOM 815 CA ASP A 53 5.369 8.764 -3.414 1.00 0.00 C ATOM 816 C ASP A 53 4.804 8.884 -1.998 1.00 0.00 C ATOM 817 O ASP A 53 5.505 9.307 -1.080 1.00 0.00 O ATOM 818 CB ASP A 53 6.762 8.138 -3.316 1.00 0.00 C ATOM 819 CG ASP A 53 7.134 7.202 -4.467 1.00 0.00 C ATOM 820 OD1 ASP A 53 6.591 6.076 -4.480 1.00 0.00 O ATOM 821 OD2 ASP A 53 7.953 7.632 -5.307 1.00 0.00 O ATOM 0 H ASP A 53 6.149 10.697 -3.637 1.00 0.00 H new ATOM 0 HA ASP A 53 4.733 8.135 -4.037 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.500 8.938 -3.266 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.829 7.583 -2.380 1.00 0.00 H new ATOM 826 N TYR A 54 3.541 8.506 -1.866 1.00 0.00 N ATOM 827 CA TYR A 54 2.873 8.566 -0.576 1.00 0.00 C ATOM 828 C TYR A 54 1.757 7.523 -0.488 1.00 0.00 C ATOM 829 O TYR A 54 1.313 6.996 -1.507 1.00 0.00 O ATOM 830 CB TYR A 54 2.257 9.964 -0.486 1.00 0.00 C ATOM 831 CG TYR A 54 1.161 10.229 -1.519 1.00 0.00 C ATOM 832 CD1 TYR A 54 1.450 10.157 -2.867 1.00 0.00 C ATOM 833 CD2 TYR A 54 -0.118 10.540 -1.104 1.00 0.00 C ATOM 834 CE1 TYR A 54 0.419 10.406 -3.840 1.00 0.00 C ATOM 835 CE2 TYR A 54 -1.150 10.790 -2.078 1.00 0.00 C ATOM 836 CZ TYR A 54 -0.830 10.711 -3.398 1.00 0.00 C ATOM 837 OH TYR A 54 -1.805 10.946 -4.316 1.00 0.00 O ATOM 0 H TYR A 54 2.963 8.157 -2.630 1.00 0.00 H new ATOM 0 HA TYR A 54 3.577 8.366 0.232 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.842 10.103 0.512 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.046 10.706 -0.610 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.451 9.914 -3.192 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.345 10.596 -0.050 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.633 10.352 -4.897 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.155 11.035 -1.767 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.551 10.328 -4.167 1.00 0.00 H new ATOM 847 N GLY A 55 1.335 7.258 0.739 1.00 0.00 N ATOM 848 CA GLY A 55 0.279 6.287 0.974 1.00 0.00 C ATOM 849 C GLY A 55 0.775 5.139 1.855 1.00 0.00 C ATOM 850 O GLY A 55 1.974 4.868 1.911 1.00 0.00 O ATOM 0 H GLY A 55 1.705 7.698 1.581 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.570 6.776 1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.075 5.892 0.022 1.00 0.00 H new ATOM 854 N ILE A 56 -0.171 4.496 2.523 1.00 0.00 N ATOM 855 CA ILE A 56 0.155 3.384 3.400 1.00 0.00 C ATOM 856 C ILE A 56 1.099 2.426 2.672 1.00 0.00 C ATOM 857 O ILE A 56 1.985 1.834 3.287 1.00 0.00 O ATOM 858 CB ILE A 56 -1.122 2.715 3.915 1.00 0.00 C ATOM 859 CG1 ILE A 56 -0.792 1.553 4.853 1.00 0.00 C ATOM 860 CG2 ILE A 56 -2.018 2.279 2.754 1.00 0.00 C ATOM 861 CD1 ILE A 56 -1.223 1.867 6.287 1.00 0.00 C ATOM 0 H ILE A 56 -1.164 4.724 2.475 1.00 0.00 H new ATOM 0 HA ILE A 56 0.681 3.740 4.286 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.682 3.448 4.496 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.294 0.649 4.508 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.279 1.353 4.827 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.918 1.807 3.147 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.295 3.151 2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.480 1.569 2.126 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.977 1.025 6.934 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.701 2.758 6.637 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.298 2.043 6.313 1.00 0.00 H new ATOM 873 N PHE A 57 0.880 2.304 1.371 1.00 0.00 N ATOM 874 CA PHE A 57 1.700 1.428 0.552 1.00 0.00 C ATOM 875 C PHE A 57 2.656 2.237 -0.328 1.00 0.00 C ATOM 876 O PHE A 57 3.124 1.747 -1.355 1.00 0.00 O ATOM 877 CB PHE A 57 0.749 0.633 -0.345 1.00 0.00 C ATOM 878 CG PHE A 57 0.096 -0.565 0.349 1.00 0.00 C ATOM 879 CD1 PHE A 57 0.859 -1.434 1.064 1.00 0.00 C ATOM 880 CD2 PHE A 57 -1.247 -0.760 0.248 1.00 0.00 C ATOM 881 CE1 PHE A 57 0.252 -2.546 1.707 1.00 0.00 C ATOM 882 CE2 PHE A 57 -1.852 -1.871 0.891 1.00 0.00 C ATOM 883 CZ PHE A 57 -1.090 -2.741 1.606 1.00 0.00 C ATOM 0 H PHE A 57 0.146 2.798 0.864 1.00 0.00 H new ATOM 0 HA PHE A 57 2.298 0.776 1.189 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.033 1.299 -0.709 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.299 0.279 -1.217 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.925 -1.279 1.143 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.852 -0.070 -0.321 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.857 -3.237 2.276 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.918 -2.026 0.812 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.551 -3.587 2.094 1.00 0.00 H new ATOM 893 N GLN A 58 2.916 3.461 0.106 1.00 0.00 N ATOM 894 CA GLN A 58 3.808 4.342 -0.629 1.00 0.00 C ATOM 895 C GLN A 58 3.596 4.175 -2.135 1.00 0.00 C ATOM 896 O GLN A 58 4.304 3.407 -2.783 1.00 0.00 O ATOM 897 CB GLN A 58 5.267 4.087 -0.249 1.00 0.00 C ATOM 898 CG GLN A 58 6.111 5.349 -0.438 1.00 0.00 C ATOM 899 CD GLN A 58 6.804 5.746 0.867 1.00 0.00 C ATOM 900 OE1 GLN A 58 6.950 4.958 1.787 1.00 0.00 O ATOM 901 NE2 GLN A 58 7.222 7.008 0.895 1.00 0.00 N ATOM 0 H GLN A 58 2.525 3.864 0.957 1.00 0.00 H new ATOM 0 HA GLN A 58 3.572 5.372 -0.360 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.324 3.759 0.789 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.670 3.280 -0.861 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.858 5.178 -1.213 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.477 6.167 -0.781 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.067 7.614 0.090 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.697 7.370 1.722 1.00 0.00 H new ATOM 910 N ILE A 59 2.617 4.907 -2.647 1.00 0.00 N ATOM 911 CA ILE A 59 2.303 4.848 -4.065 1.00 0.00 C ATOM 912 C ILE A 59 2.831 6.109 -4.752 1.00 0.00 C ATOM 913 O ILE A 59 2.822 7.191 -4.165 1.00 0.00 O ATOM 914 CB ILE A 59 0.804 4.617 -4.273 1.00 0.00 C ATOM 915 CG1 ILE A 59 0.417 3.180 -3.917 1.00 0.00 C ATOM 916 CG2 ILE A 59 0.385 4.988 -5.697 1.00 0.00 C ATOM 917 CD1 ILE A 59 -1.103 3.027 -3.834 1.00 0.00 C ATOM 0 H ILE A 59 2.031 5.543 -2.106 1.00 0.00 H new ATOM 0 HA ILE A 59 2.801 3.997 -4.530 1.00 0.00 H new ATOM 0 HB ILE A 59 0.259 5.274 -3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.815 2.496 -4.667 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.867 2.904 -2.963 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.684 4.815 -5.818 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.605 6.040 -5.879 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.935 4.374 -6.410 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.352 1.997 -3.580 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.495 3.695 -3.067 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.547 3.280 -4.797 1.00 0.00 H new ATOM 929 N ASN A 60 3.280 5.929 -5.986 1.00 0.00 N ATOM 930 CA ASN A 60 3.811 7.039 -6.758 1.00 0.00 C ATOM 931 C ASN A 60 2.681 7.677 -7.570 1.00 0.00 C ATOM 932 O ASN A 60 1.836 6.974 -8.122 1.00 0.00 O ATOM 933 CB ASN A 60 4.886 6.563 -7.738 1.00 0.00 C ATOM 934 CG ASN A 60 6.281 6.978 -7.266 1.00 0.00 C ATOM 935 OD1 ASN A 60 7.063 5.957 -6.926 1.00 0.00 O flip ATOM 936 ND2 ASN A 60 6.623 8.148 -7.213 1.00 0.00 N flip ATOM 0 H ASN A 60 3.287 5.031 -6.470 1.00 0.00 H new ATOM 0 HA ASN A 60 4.248 7.755 -6.062 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.839 5.478 -7.836 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.693 6.981 -8.726 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.972 8.883 -7.489 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.560 8.391 -6.892 1.00 0.00 H new ATOM 943 N SER A 61 2.703 9.001 -7.615 1.00 0.00 N ATOM 944 CA SER A 61 1.691 9.741 -8.350 1.00 0.00 C ATOM 945 C SER A 61 2.159 9.983 -9.786 1.00 0.00 C ATOM 946 O SER A 61 1.534 10.740 -10.528 1.00 0.00 O ATOM 947 CB SER A 61 1.376 11.072 -7.663 1.00 0.00 C ATOM 948 OG SER A 61 0.606 11.934 -8.497 1.00 0.00 O ATOM 0 H SER A 61 3.405 9.580 -7.155 1.00 0.00 H new ATOM 0 HA SER A 61 0.778 9.146 -8.368 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.832 10.883 -6.737 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.307 11.568 -7.390 1.00 0.00 H new ATOM 0 HG SER A 61 -0.298 11.569 -8.599 1.00 0.00 H new ATOM 954 N ARG A 62 3.255 9.325 -10.136 1.00 0.00 N ATOM 955 CA ARG A 62 3.813 9.460 -11.471 1.00 0.00 C ATOM 956 C ARG A 62 3.205 8.415 -12.408 1.00 0.00 C ATOM 957 O ARG A 62 3.134 8.626 -13.618 1.00 0.00 O ATOM 958 CB ARG A 62 5.334 9.292 -11.451 1.00 0.00 C ATOM 959 CG ARG A 62 5.857 8.867 -12.824 1.00 0.00 C ATOM 960 CD ARG A 62 7.315 9.292 -13.011 1.00 0.00 C ATOM 961 NE ARG A 62 7.543 9.714 -14.411 1.00 0.00 N ATOM 962 CZ ARG A 62 7.845 8.873 -15.411 1.00 0.00 C ATOM 963 NH1 ARG A 62 7.956 7.560 -15.170 1.00 0.00 N ATOM 964 NH2 ARG A 62 8.035 9.346 -16.650 1.00 0.00 N ATOM 0 H ARG A 62 3.771 8.698 -9.519 1.00 0.00 H new ATOM 0 HA ARG A 62 3.573 10.460 -11.831 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.803 10.230 -11.154 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.611 8.547 -10.706 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.773 7.785 -12.930 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.241 9.313 -13.605 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.554 10.111 -12.332 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.979 8.465 -12.759 1.00 0.00 H new ATOM 0 HE ARG A 62 7.466 10.707 -14.629 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.811 7.201 -14.227 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.186 6.920 -15.930 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.950 10.346 -16.833 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.265 8.706 -17.410 1.00 0.00 H new ATOM 978 N TYR A 63 2.782 7.308 -11.815 1.00 0.00 N ATOM 979 CA TYR A 63 2.182 6.229 -12.581 1.00 0.00 C ATOM 980 C TYR A 63 0.726 6.006 -12.166 1.00 0.00 C ATOM 981 O TYR A 63 -0.170 6.000 -13.009 1.00 0.00 O ATOM 982 CB TYR A 63 2.993 4.975 -12.251 1.00 0.00 C ATOM 983 CG TYR A 63 3.329 4.113 -13.469 1.00 0.00 C ATOM 984 CD1 TYR A 63 2.456 3.125 -13.877 1.00 0.00 C ATOM 985 CD2 TYR A 63 4.506 4.323 -14.160 1.00 0.00 C ATOM 986 CE1 TYR A 63 2.773 2.313 -15.024 1.00 0.00 C ATOM 987 CE2 TYR A 63 4.822 3.511 -15.306 1.00 0.00 C ATOM 988 CZ TYR A 63 3.940 2.547 -15.682 1.00 0.00 C ATOM 989 OH TYR A 63 4.239 1.780 -16.765 1.00 0.00 O ATOM 0 H TYR A 63 2.843 7.135 -10.812 1.00 0.00 H new ATOM 0 HA TYR A 63 2.191 6.463 -13.646 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.921 5.273 -11.763 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.435 4.372 -11.535 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.535 2.961 -13.337 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.189 5.096 -13.841 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.099 1.536 -15.354 1.00 0.00 H new ATOM 0 HE2 TYR A 63 5.739 3.664 -15.855 1.00 0.00 H new ATOM 0 HH TYR A 63 5.102 2.060 -17.136 1.00 0.00 H new ATOM 999 N TRP A 64 0.536 5.825 -10.867 1.00 0.00 N ATOM 1000 CA TRP A 64 -0.795 5.600 -10.330 1.00 0.00 C ATOM 1001 C TRP A 64 -1.305 6.927 -9.760 1.00 0.00 C ATOM 1002 O TRP A 64 -0.518 7.829 -9.481 1.00 0.00 O ATOM 1003 CB TRP A 64 -0.787 4.470 -9.298 1.00 0.00 C ATOM 1004 CG TRP A 64 -0.146 3.175 -9.800 1.00 0.00 C ATOM 1005 CD1 TRP A 64 1.033 2.646 -9.444 1.00 0.00 C ATOM 1006 CD2 TRP A 64 -0.699 2.261 -10.770 1.00 0.00 C ATOM 1007 NE1 TRP A 64 1.279 1.463 -10.111 1.00 0.00 N ATOM 1008 CE2 TRP A 64 0.191 1.221 -10.942 1.00 0.00 C ATOM 1009 CE3 TRP A 64 -1.913 2.311 -11.478 1.00 0.00 C ATOM 1010 CZ2 TRP A 64 -0.037 0.153 -11.819 1.00 0.00 C ATOM 1011 CZ3 TRP A 64 -2.126 1.237 -12.350 1.00 0.00 C ATOM 1012 CH2 TRP A 64 -1.240 0.182 -12.534 1.00 0.00 C ATOM 0 H TRP A 64 1.282 5.830 -10.171 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.477 5.272 -11.115 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.253 4.807 -8.409 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.813 4.262 -8.994 1.00 0.00 H new ATOM 0 HD1 TRP A 64 1.706 3.090 -8.725 1.00 0.00 H new ATOM 0 HE1 TRP A 64 2.106 0.875 -10.012 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.625 3.114 -11.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 0.676 -0.649 -11.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.043 1.227 -12.920 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -1.479 -0.612 -13.226 1.00 0.00 H new ATOM 1023 N CYS A 65 -2.618 7.001 -9.605 1.00 0.00 N ATOM 1024 CA CYS A 65 -3.242 8.201 -9.074 1.00 0.00 C ATOM 1025 C CYS A 65 -2.915 9.366 -10.009 1.00 0.00 C ATOM 1026 O CYS A 65 -1.890 9.352 -10.689 1.00 0.00 O ATOM 1027 CB CYS A 65 -2.798 8.480 -7.636 1.00 0.00 C ATOM 1028 SG CYS A 65 -1.551 9.807 -7.462 1.00 0.00 S ATOM 0 H CYS A 65 -3.267 6.250 -9.838 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.322 8.064 -9.031 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.675 8.745 -7.045 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.393 7.562 -7.211 1.00 0.00 H new ATOM 1033 N ASN A 66 -3.803 10.349 -10.011 1.00 0.00 N ATOM 1034 CA ASN A 66 -3.622 11.521 -10.851 1.00 0.00 C ATOM 1035 C ASN A 66 -3.749 12.782 -9.995 1.00 0.00 C ATOM 1036 O ASN A 66 -4.153 12.711 -8.835 1.00 0.00 O ATOM 1037 CB ASN A 66 -4.688 11.583 -11.947 1.00 0.00 C ATOM 1038 CG ASN A 66 -5.958 10.846 -11.520 1.00 0.00 C ATOM 1039 OD1 ASN A 66 -6.067 9.635 -11.617 1.00 0.00 O ATOM 1040 ND2 ASN A 66 -6.910 11.641 -11.040 1.00 0.00 N ATOM 0 H ASN A 66 -4.651 10.358 -9.444 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.636 11.457 -11.311 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.925 12.623 -12.170 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.298 11.141 -12.864 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.796 11.244 -10.726 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.754 12.648 -10.986 1.00 0.00 H new ATOM 1047 N ASP A 67 -3.396 13.907 -10.599 1.00 0.00 N ATOM 1048 CA ASP A 67 -3.467 15.182 -9.906 1.00 0.00 C ATOM 1049 C ASP A 67 -4.254 16.179 -10.759 1.00 0.00 C ATOM 1050 O ASP A 67 -5.128 16.881 -10.253 1.00 0.00 O ATOM 1051 CB ASP A 67 -2.069 15.760 -9.673 1.00 0.00 C ATOM 1052 CG ASP A 67 -1.212 15.909 -10.932 1.00 0.00 C ATOM 1053 OD1 ASP A 67 -0.980 14.870 -11.587 1.00 0.00 O ATOM 1054 OD2 ASP A 67 -0.810 17.059 -11.210 1.00 0.00 O ATOM 0 H ASP A 67 -3.060 13.962 -11.561 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.955 15.017 -8.945 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.171 16.738 -9.203 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.541 15.120 -8.966 1.00 0.00 H new ATOM 1059 N GLY A 68 -3.914 16.210 -12.040 1.00 0.00 N ATOM 1060 CA GLY A 68 -4.579 17.109 -12.969 1.00 0.00 C ATOM 1061 C GLY A 68 -3.815 18.429 -13.093 1.00 0.00 C ATOM 1062 O GLY A 68 -4.222 19.317 -13.841 1.00 0.00 O ATOM 0 H GLY A 68 -3.187 15.628 -12.456 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.656 16.635 -13.948 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.596 17.303 -12.628 1.00 0.00 H new ATOM 1066 N LYS A 69 -2.722 18.516 -12.350 1.00 0.00 N ATOM 1067 CA LYS A 69 -1.898 19.713 -12.368 1.00 0.00 C ATOM 1068 C LYS A 69 -0.817 19.567 -13.441 1.00 0.00 C ATOM 1069 O LYS A 69 -0.200 20.552 -13.845 1.00 0.00 O ATOM 1070 CB LYS A 69 -1.344 20.003 -10.973 1.00 0.00 C ATOM 1071 CG LYS A 69 -1.952 21.283 -10.396 1.00 0.00 C ATOM 1072 CD LYS A 69 -1.342 21.615 -9.033 1.00 0.00 C ATOM 1073 CE LYS A 69 -1.977 20.771 -7.927 1.00 0.00 C ATOM 1074 NZ LYS A 69 -1.059 19.689 -7.509 1.00 0.00 N ATOM 0 H LYS A 69 -2.387 17.777 -11.731 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.497 20.584 -12.635 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.559 19.164 -10.311 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.260 20.101 -11.022 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.785 22.111 -11.084 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.031 21.164 -10.296 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.267 21.437 -9.059 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.485 22.673 -8.815 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.217 21.403 -7.072 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.915 20.344 -8.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.584 18.983 -6.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.651 19.235 -8.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.295 20.088 -6.927 1.00 0.00 H new ATOM 1088 N THR A 70 -0.622 18.330 -13.873 1.00 0.00 N ATOM 1089 CA THR A 70 0.375 18.042 -14.891 1.00 0.00 C ATOM 1090 C THR A 70 -0.158 17.002 -15.879 1.00 0.00 C ATOM 1091 O THR A 70 -0.262 15.822 -15.550 1.00 0.00 O ATOM 1092 CB THR A 70 1.660 17.606 -14.186 1.00 0.00 C ATOM 1093 OG1 THR A 70 2.343 18.828 -13.922 1.00 0.00 O ATOM 1094 CG2 THR A 70 2.607 16.842 -15.113 1.00 0.00 C ATOM 0 H THR A 70 -1.137 17.516 -13.537 1.00 0.00 H new ATOM 0 HA THR A 70 0.599 18.927 -15.486 1.00 0.00 H new ATOM 0 HB THR A 70 1.409 16.981 -13.329 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.715 19.577 -13.997 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.503 16.556 -14.562 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.109 15.947 -15.485 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.885 17.478 -15.953 1.00 0.00 H new ATOM 1102 N PRO A 71 -0.491 17.491 -17.105 1.00 0.00 N ATOM 1103 CA PRO A 71 -1.011 16.618 -18.143 1.00 0.00 C ATOM 1104 C PRO A 71 0.104 15.763 -18.749 1.00 0.00 C ATOM 1105 O PRO A 71 0.334 15.802 -19.956 1.00 0.00 O ATOM 1106 CB PRO A 71 -1.660 17.551 -19.152 1.00 0.00 C ATOM 1107 CG PRO A 71 -1.077 18.929 -18.882 1.00 0.00 C ATOM 1108 CD PRO A 71 -0.382 18.883 -17.532 1.00 0.00 C ATOM 0 HA PRO A 71 -1.735 15.897 -17.764 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.449 17.231 -20.172 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.744 17.556 -19.038 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.372 19.205 -19.666 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.864 19.683 -18.881 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.660 19.192 -17.613 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -0.859 19.555 -16.818 1.00 0.00 H new ATOM 1116 N ARG A 72 0.766 15.011 -17.883 1.00 0.00 N ATOM 1117 CA ARG A 72 1.851 14.148 -18.317 1.00 0.00 C ATOM 1118 C ARG A 72 1.729 12.770 -17.662 1.00 0.00 C ATOM 1119 O ARG A 72 1.767 11.748 -18.344 1.00 0.00 O ATOM 1120 CB ARG A 72 3.212 14.753 -17.967 1.00 0.00 C ATOM 1121 CG ARG A 72 4.226 14.507 -19.084 1.00 0.00 C ATOM 1122 CD ARG A 72 4.402 15.756 -19.951 1.00 0.00 C ATOM 1123 NE ARG A 72 5.812 16.201 -19.916 1.00 0.00 N ATOM 1124 CZ ARG A 72 6.349 17.065 -20.789 1.00 0.00 C ATOM 1125 NH1 ARG A 72 5.596 17.581 -21.770 1.00 0.00 N ATOM 1126 NH2 ARG A 72 7.639 17.413 -20.681 1.00 0.00 N ATOM 0 H ARG A 72 0.572 14.981 -16.882 1.00 0.00 H new ATOM 0 HA ARG A 72 1.780 14.047 -19.400 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.105 15.824 -17.798 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.578 14.319 -17.037 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.185 14.222 -18.652 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.895 13.674 -19.704 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.105 15.541 -20.978 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.751 16.553 -19.591 1.00 0.00 H new ATOM 0 HE ARG A 72 6.413 15.827 -19.182 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.614 17.316 -21.852 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.004 18.238 -22.434 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.212 17.020 -19.934 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.047 18.070 -21.345 1.00 0.00 H new ATOM 1140 N ALA A 73 1.586 12.788 -16.344 1.00 0.00 N ATOM 1141 CA ALA A 73 1.458 11.554 -15.589 1.00 0.00 C ATOM 1142 C ALA A 73 0.481 10.620 -16.307 1.00 0.00 C ATOM 1143 O ALA A 73 -0.333 11.068 -17.114 1.00 0.00 O ATOM 1144 CB ALA A 73 1.015 11.873 -14.159 1.00 0.00 C ATOM 0 H ALA A 73 1.556 13.638 -15.781 1.00 0.00 H new ATOM 0 HA ALA A 73 2.418 11.042 -15.526 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.919 10.947 -13.593 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.757 12.514 -13.683 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.053 12.386 -14.182 1.00 0.00 H new ATOM 1150 N VAL A 74 0.593 9.339 -15.987 1.00 0.00 N ATOM 1151 CA VAL A 74 -0.270 8.338 -16.592 1.00 0.00 C ATOM 1152 C VAL A 74 -1.008 7.575 -15.490 1.00 0.00 C ATOM 1153 O VAL A 74 -0.783 6.382 -15.300 1.00 0.00 O ATOM 1154 CB VAL A 74 0.549 7.426 -17.507 1.00 0.00 C ATOM 1155 CG1 VAL A 74 1.626 6.681 -16.716 1.00 0.00 C ATOM 1156 CG2 VAL A 74 -0.357 6.446 -18.256 1.00 0.00 C ATOM 0 H VAL A 74 1.268 8.971 -15.317 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.025 8.812 -17.220 1.00 0.00 H new ATOM 0 HB VAL A 74 1.049 8.053 -18.246 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.194 6.040 -17.390 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.298 7.401 -16.248 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.155 6.071 -15.945 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.250 5.809 -18.900 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.896 5.828 -17.538 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.070 7.002 -18.864 1.00 0.00 H new ATOM 1166 N ASN A 75 -1.873 8.296 -14.793 1.00 0.00 N ATOM 1167 CA ASN A 75 -2.646 7.702 -13.715 1.00 0.00 C ATOM 1168 C ASN A 75 -3.340 6.438 -14.228 1.00 0.00 C ATOM 1169 O ASN A 75 -4.440 6.509 -14.775 1.00 0.00 O ATOM 1170 CB ASN A 75 -3.725 8.664 -13.215 1.00 0.00 C ATOM 1171 CG ASN A 75 -4.478 9.301 -14.386 1.00 0.00 C ATOM 1172 OD1 ASN A 75 -3.927 9.565 -15.442 1.00 0.00 O ATOM 1173 ND2 ASN A 75 -5.764 9.532 -14.141 1.00 0.00 N ATOM 0 H ASN A 75 -2.056 9.287 -14.953 1.00 0.00 H new ATOM 0 HA ASN A 75 -1.963 7.471 -12.898 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -4.426 8.128 -12.575 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.268 9.443 -12.605 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.352 9.955 -14.859 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.163 9.287 -13.235 1.00 0.00 H new ATOM 1180 N ALA A 76 -2.669 5.313 -14.032 1.00 0.00 N ATOM 1181 CA ALA A 76 -3.208 4.035 -14.469 1.00 0.00 C ATOM 1182 C ALA A 76 -4.256 3.558 -13.461 1.00 0.00 C ATOM 1183 O ALA A 76 -4.958 2.579 -13.708 1.00 0.00 O ATOM 1184 CB ALA A 76 -2.066 3.032 -14.642 1.00 0.00 C ATOM 0 H ALA A 76 -1.758 5.259 -13.577 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.702 4.136 -15.435 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.470 2.074 -14.970 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.365 3.405 -15.389 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.549 2.902 -13.691 1.00 0.00 H new ATOM 1190 N CYS A 77 -4.328 4.273 -12.348 1.00 0.00 N ATOM 1191 CA CYS A 77 -5.278 3.935 -11.302 1.00 0.00 C ATOM 1192 C CYS A 77 -6.576 4.701 -11.566 1.00 0.00 C ATOM 1193 O CYS A 77 -7.666 4.171 -11.360 1.00 0.00 O ATOM 1194 CB CYS A 77 -4.715 4.229 -9.910 1.00 0.00 C ATOM 1195 SG CYS A 77 -5.380 3.168 -8.574 1.00 0.00 S ATOM 0 H CYS A 77 -3.744 5.085 -12.148 1.00 0.00 H new ATOM 0 HA CYS A 77 -5.479 2.864 -11.322 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -3.631 4.115 -9.940 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -4.919 5.271 -9.663 1.00 0.00 H new ATOM 1200 N GLY A 78 -6.415 5.936 -12.018 1.00 0.00 N ATOM 1201 CA GLY A 78 -7.561 6.780 -12.313 1.00 0.00 C ATOM 1202 C GLY A 78 -8.343 7.106 -11.039 1.00 0.00 C ATOM 1203 O GLY A 78 -9.548 6.871 -10.970 1.00 0.00 O ATOM 0 H GLY A 78 -5.509 6.373 -12.187 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.225 7.704 -12.785 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.214 6.277 -13.026 1.00 0.00 H new ATOM 1207 N ILE A 79 -7.625 7.643 -10.063 1.00 0.00 N ATOM 1208 CA ILE A 79 -8.238 8.004 -8.796 1.00 0.00 C ATOM 1209 C ILE A 79 -7.581 9.279 -8.262 1.00 0.00 C ATOM 1210 O ILE A 79 -6.459 9.610 -8.643 1.00 0.00 O ATOM 1211 CB ILE A 79 -8.180 6.829 -7.819 1.00 0.00 C ATOM 1212 CG1 ILE A 79 -6.952 6.928 -6.912 1.00 0.00 C ATOM 1213 CG2 ILE A 79 -8.235 5.493 -8.564 1.00 0.00 C ATOM 1214 CD1 ILE A 79 -5.674 6.587 -7.681 1.00 0.00 C ATOM 0 H ILE A 79 -6.625 7.837 -10.124 1.00 0.00 H new ATOM 0 HA ILE A 79 -9.297 8.223 -8.934 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.059 6.877 -7.176 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.877 7.936 -6.504 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.064 6.249 -6.067 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.192 4.674 -7.846 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -9.164 5.430 -9.131 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.388 5.422 -9.246 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -4.816 6.665 -7.013 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.742 5.570 -8.067 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.552 7.283 -8.511 1.00 0.00 H new ATOM 1226 N ASN A 80 -8.309 9.960 -7.389 1.00 0.00 N ATOM 1227 CA ASN A 80 -7.811 11.192 -6.800 1.00 0.00 C ATOM 1228 C ASN A 80 -6.553 10.890 -5.984 1.00 0.00 C ATOM 1229 O ASN A 80 -6.592 10.095 -5.046 1.00 0.00 O ATOM 1230 CB ASN A 80 -8.848 11.809 -5.859 1.00 0.00 C ATOM 1231 CG ASN A 80 -8.979 13.315 -6.099 1.00 0.00 C ATOM 1232 OD1 ASN A 80 -9.015 13.789 -7.223 1.00 0.00 O ATOM 1233 ND2 ASN A 80 -9.050 14.036 -4.985 1.00 0.00 N ATOM 0 H ASN A 80 -9.239 9.682 -7.075 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.596 11.890 -7.609 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.814 11.328 -6.011 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.560 11.626 -4.824 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.141 15.051 -5.039 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.014 13.575 -4.076 1.00 0.00 H new ATOM 1240 N CYS A 81 -5.466 11.540 -6.372 1.00 0.00 N ATOM 1241 CA CYS A 81 -4.197 11.350 -5.689 1.00 0.00 C ATOM 1242 C CYS A 81 -4.432 11.508 -4.186 1.00 0.00 C ATOM 1243 O CYS A 81 -3.963 10.694 -3.392 1.00 0.00 O ATOM 1244 CB CYS A 81 -3.127 12.317 -6.203 1.00 0.00 C ATOM 1245 SG CYS A 81 -1.977 11.605 -7.434 1.00 0.00 S ATOM 0 H CYS A 81 -5.437 12.199 -7.150 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.818 10.349 -5.894 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -3.621 13.182 -6.646 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.548 12.681 -5.354 1.00 0.00 H new ATOM 1250 N SER A 82 -5.159 12.560 -3.840 1.00 0.00 N ATOM 1251 CA SER A 82 -5.463 12.835 -2.446 1.00 0.00 C ATOM 1252 C SER A 82 -6.025 11.579 -1.776 1.00 0.00 C ATOM 1253 O SER A 82 -5.932 11.426 -0.559 1.00 0.00 O ATOM 1254 CB SER A 82 -6.453 13.994 -2.315 1.00 0.00 C ATOM 1255 OG SER A 82 -5.804 15.213 -1.963 1.00 0.00 O ATOM 0 H SER A 82 -5.547 13.233 -4.501 1.00 0.00 H new ATOM 0 HA SER A 82 -4.539 13.125 -1.946 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.984 14.125 -3.258 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.200 13.749 -1.559 1.00 0.00 H new ATOM 0 HG SER A 82 -6.469 15.929 -1.891 1.00 0.00 H new ATOM 1261 N ALA A 83 -6.595 10.713 -2.599 1.00 0.00 N ATOM 1262 CA ALA A 83 -7.173 9.475 -2.102 1.00 0.00 C ATOM 1263 C ALA A 83 -6.071 8.622 -1.471 1.00 0.00 C ATOM 1264 O ALA A 83 -6.357 7.652 -0.770 1.00 0.00 O ATOM 1265 CB ALA A 83 -7.889 8.751 -3.243 1.00 0.00 C ATOM 0 H ALA A 83 -6.670 10.843 -3.608 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.915 9.680 -1.330 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.322 7.823 -2.870 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.681 9.388 -3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.175 8.525 -4.035 1.00 0.00 H new ATOM 1271 N LEU A 84 -4.834 9.014 -1.742 1.00 0.00 N ATOM 1272 CA LEU A 84 -3.688 8.296 -1.209 1.00 0.00 C ATOM 1273 C LEU A 84 -3.087 9.093 -0.050 1.00 0.00 C ATOM 1274 O LEU A 84 -1.951 8.849 0.353 1.00 0.00 O ATOM 1275 CB LEU A 84 -2.689 7.981 -2.322 1.00 0.00 C ATOM 1276 CG LEU A 84 -3.257 7.275 -3.555 1.00 0.00 C ATOM 1277 CD1 LEU A 84 -2.205 7.169 -4.660 1.00 0.00 C ATOM 1278 CD2 LEU A 84 -3.840 5.910 -3.185 1.00 0.00 C ATOM 0 H LEU A 84 -4.601 9.819 -2.323 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.996 7.331 -0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.227 8.915 -2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.896 7.360 -1.906 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.075 7.879 -3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.635 6.663 -5.524 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.879 8.168 -4.949 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.350 6.600 -4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.237 5.429 -4.079 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.058 5.285 -2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.641 6.042 -2.458 1.00 0.00 H new ATOM 1290 N LEU A 85 -3.876 10.032 0.454 1.00 0.00 N ATOM 1291 CA LEU A 85 -3.436 10.867 1.558 1.00 0.00 C ATOM 1292 C LEU A 85 -4.611 11.113 2.506 1.00 0.00 C ATOM 1293 O LEU A 85 -4.556 12.005 3.351 1.00 0.00 O ATOM 1294 CB LEU A 85 -2.789 12.150 1.035 1.00 0.00 C ATOM 1295 CG LEU A 85 -1.446 12.529 1.663 1.00 0.00 C ATOM 1296 CD1 LEU A 85 -0.774 13.659 0.881 1.00 0.00 C ATOM 1297 CD2 LEU A 85 -1.611 12.876 3.144 1.00 0.00 C ATOM 0 H LEU A 85 -4.818 10.232 0.117 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.662 10.360 2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.649 12.050 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.486 12.974 1.190 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.787 11.663 1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.178 13.909 1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.601 13.338 -0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.420 14.537 0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.642 13.142 3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.294 13.719 3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.015 12.015 3.677 1.00 0.00 H new ATOM 1309 N GLN A 86 -5.648 10.306 2.333 1.00 0.00 N ATOM 1310 CA GLN A 86 -6.836 10.426 3.162 1.00 0.00 C ATOM 1311 C GLN A 86 -6.847 9.334 4.234 1.00 0.00 C ATOM 1312 O GLN A 86 -5.847 8.644 4.433 1.00 0.00 O ATOM 1313 CB GLN A 86 -8.106 10.372 2.312 1.00 0.00 C ATOM 1314 CG GLN A 86 -8.077 11.438 1.215 1.00 0.00 C ATOM 1315 CD GLN A 86 -9.391 12.221 1.174 1.00 0.00 C ATOM 1316 OE1 GLN A 86 -10.470 11.683 1.362 1.00 0.00 O ATOM 1317 NE2 GLN A 86 -9.242 13.517 0.921 1.00 0.00 N ATOM 0 H GLN A 86 -5.690 9.567 1.631 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.812 11.396 3.659 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.205 9.384 1.862 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -8.979 10.522 2.947 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.247 12.123 1.391 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.901 10.965 0.249 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -8.310 13.904 0.773 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -10.060 14.125 0.875 1.00 0.00 H new ATOM 1326 N ASP A 87 -7.988 9.209 4.895 1.00 0.00 N ATOM 1327 CA ASP A 87 -8.142 8.213 5.941 1.00 0.00 C ATOM 1328 C ASP A 87 -8.509 6.869 5.308 1.00 0.00 C ATOM 1329 O ASP A 87 -7.698 5.944 5.293 1.00 0.00 O ATOM 1330 CB ASP A 87 -9.261 8.599 6.910 1.00 0.00 C ATOM 1331 CG ASP A 87 -9.642 7.518 7.922 1.00 0.00 C ATOM 1332 OD1 ASP A 87 -10.173 6.479 7.470 1.00 0.00 O ATOM 1333 OD2 ASP A 87 -9.397 7.754 9.125 1.00 0.00 O ATOM 0 H ASP A 87 -8.815 9.781 4.726 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.200 8.148 6.486 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.957 9.494 7.454 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.147 8.862 6.332 1.00 0.00 H new ATOM 1338 N ASP A 88 -9.731 6.802 4.802 1.00 0.00 N ATOM 1339 CA ASP A 88 -10.215 5.587 4.170 1.00 0.00 C ATOM 1340 C ASP A 88 -9.121 5.019 3.263 1.00 0.00 C ATOM 1341 O ASP A 88 -8.592 5.725 2.405 1.00 0.00 O ATOM 1342 CB ASP A 88 -11.447 5.868 3.306 1.00 0.00 C ATOM 1343 CG ASP A 88 -12.724 6.180 4.086 1.00 0.00 C ATOM 1344 OD1 ASP A 88 -13.259 5.233 4.703 1.00 0.00 O ATOM 1345 OD2 ASP A 88 -13.140 7.358 4.047 1.00 0.00 O ATOM 0 H ASP A 88 -10.401 7.571 4.817 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.480 4.880 4.956 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.227 6.708 2.648 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.630 5.003 2.669 1.00 0.00 H new ATOM 1350 N ILE A 89 -8.814 3.749 3.483 1.00 0.00 N ATOM 1351 CA ILE A 89 -7.793 3.078 2.696 1.00 0.00 C ATOM 1352 C ILE A 89 -8.446 2.412 1.483 1.00 0.00 C ATOM 1353 O ILE A 89 -7.772 1.746 0.699 1.00 0.00 O ATOM 1354 CB ILE A 89 -6.992 2.112 3.571 1.00 0.00 C ATOM 1355 CG1 ILE A 89 -7.894 1.023 4.155 1.00 0.00 C ATOM 1356 CG2 ILE A 89 -6.226 2.866 4.661 1.00 0.00 C ATOM 1357 CD1 ILE A 89 -7.071 -0.177 4.627 1.00 0.00 C ATOM 0 H ILE A 89 -9.255 3.167 4.195 1.00 0.00 H new ATOM 0 HA ILE A 89 -7.071 3.799 2.314 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.253 1.615 2.942 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.465 1.428 4.991 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.615 0.701 3.403 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.665 2.156 5.269 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.536 3.572 4.199 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.930 3.407 5.293 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -7.737 -0.936 5.038 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -6.520 -0.595 3.784 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -6.368 0.144 5.396 1.00 0.00 H new ATOM 1369 N THR A 90 -9.750 2.617 1.366 1.00 0.00 N ATOM 1370 CA THR A 90 -10.501 2.044 0.262 1.00 0.00 C ATOM 1371 C THR A 90 -9.730 2.208 -1.049 1.00 0.00 C ATOM 1372 O THR A 90 -9.640 1.272 -1.842 1.00 0.00 O ATOM 1373 CB THR A 90 -11.883 2.700 0.240 1.00 0.00 C ATOM 1374 OG1 THR A 90 -12.780 1.629 0.514 1.00 0.00 O ATOM 1375 CG2 THR A 90 -12.284 3.173 -1.159 1.00 0.00 C ATOM 0 H THR A 90 -10.305 3.172 2.017 1.00 0.00 H new ATOM 0 HA THR A 90 -10.637 0.970 0.391 1.00 0.00 H new ATOM 0 HB THR A 90 -11.894 3.546 0.927 1.00 0.00 H new ATOM 0 HG1 THR A 90 -13.700 1.966 0.520 1.00 0.00 H new ATOM 0 HG21 THR A 90 -13.272 3.631 -1.119 1.00 0.00 H new ATOM 0 HG22 THR A 90 -11.560 3.904 -1.517 1.00 0.00 H new ATOM 0 HG23 THR A 90 -12.306 2.321 -1.839 1.00 0.00 H new ATOM 1383 N ALA A 91 -9.191 3.405 -1.236 1.00 0.00 N ATOM 1384 CA ALA A 91 -8.430 3.703 -2.438 1.00 0.00 C ATOM 1385 C ALA A 91 -7.085 2.978 -2.377 1.00 0.00 C ATOM 1386 O ALA A 91 -6.591 2.489 -3.392 1.00 0.00 O ATOM 1387 CB ALA A 91 -8.271 5.218 -2.578 1.00 0.00 C ATOM 0 H ALA A 91 -9.266 4.179 -0.576 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.956 3.347 -3.324 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.700 5.442 -3.479 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.255 5.682 -2.647 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.744 5.611 -1.708 1.00 0.00 H new ATOM 1393 N ALA A 92 -6.528 2.931 -1.175 1.00 0.00 N ATOM 1394 CA ALA A 92 -5.249 2.274 -0.968 1.00 0.00 C ATOM 1395 C ALA A 92 -5.361 0.805 -1.383 1.00 0.00 C ATOM 1396 O ALA A 92 -4.474 0.275 -2.048 1.00 0.00 O ATOM 1397 CB ALA A 92 -4.821 2.437 0.491 1.00 0.00 C ATOM 0 H ALA A 92 -6.940 3.337 -0.335 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.478 2.733 -1.587 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.861 1.944 0.646 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.726 3.497 0.726 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.570 1.986 1.142 1.00 0.00 H new ATOM 1403 N ILE A 93 -6.461 0.191 -0.972 1.00 0.00 N ATOM 1404 CA ILE A 93 -6.701 -1.206 -1.292 1.00 0.00 C ATOM 1405 C ILE A 93 -7.043 -1.333 -2.778 1.00 0.00 C ATOM 1406 O ILE A 93 -6.466 -2.159 -3.484 1.00 0.00 O ATOM 1407 CB ILE A 93 -7.766 -1.793 -0.364 1.00 0.00 C ATOM 1408 CG1 ILE A 93 -7.477 -1.437 1.096 1.00 0.00 C ATOM 1409 CG2 ILE A 93 -7.901 -3.303 -0.569 1.00 0.00 C ATOM 1410 CD1 ILE A 93 -8.567 -1.986 2.021 1.00 0.00 C ATOM 0 H ILE A 93 -7.195 0.635 -0.421 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.801 -1.796 -1.120 1.00 0.00 H new ATOM 0 HB ILE A 93 -8.726 -1.346 -0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.509 -1.843 1.388 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -7.414 -0.354 1.204 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.665 -3.695 0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -8.187 -3.506 -1.601 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.947 -3.786 -0.355 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.337 -1.719 3.053 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -9.530 -1.559 1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -8.610 -3.071 1.928 1.00 0.00 H new ATOM 1422 N GLN A 94 -7.982 -0.502 -3.209 1.00 0.00 N ATOM 1423 CA GLN A 94 -8.408 -0.511 -4.599 1.00 0.00 C ATOM 1424 C GLN A 94 -7.208 -0.290 -5.523 1.00 0.00 C ATOM 1425 O GLN A 94 -7.011 -1.040 -6.478 1.00 0.00 O ATOM 1426 CB GLN A 94 -9.492 0.540 -4.846 1.00 0.00 C ATOM 1427 CG GLN A 94 -10.278 0.227 -6.120 1.00 0.00 C ATOM 1428 CD GLN A 94 -11.784 0.229 -5.850 1.00 0.00 C ATOM 1429 OE1 GLN A 94 -12.254 -0.199 -4.809 1.00 0.00 O ATOM 1430 NE2 GLN A 94 -12.511 0.733 -6.843 1.00 0.00 N ATOM 0 H GLN A 94 -8.459 0.181 -2.621 1.00 0.00 H new ATOM 0 HA GLN A 94 -8.838 -1.488 -4.822 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -10.171 0.574 -3.994 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -9.035 1.526 -4.929 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -10.042 0.964 -6.888 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -9.976 -0.746 -6.508 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -12.053 1.074 -7.688 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -13.527 0.778 -6.759 1.00 0.00 H new ATOM 1439 N CYS A 95 -6.439 0.740 -5.206 1.00 0.00 N ATOM 1440 CA CYS A 95 -5.265 1.069 -5.996 1.00 0.00 C ATOM 1441 C CYS A 95 -4.232 -0.045 -5.808 1.00 0.00 C ATOM 1442 O CYS A 95 -3.602 -0.480 -6.770 1.00 0.00 O ATOM 1443 CB CYS A 95 -4.698 2.440 -5.623 1.00 0.00 C ATOM 1444 SG CYS A 95 -3.993 3.385 -7.023 1.00 0.00 S ATOM 0 H CYS A 95 -6.606 1.358 -4.412 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.539 1.136 -7.049 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -5.490 3.033 -5.165 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -3.924 2.304 -4.868 1.00 0.00 H new ATOM 1449 N ALA A 96 -4.092 -0.475 -4.562 1.00 0.00 N ATOM 1450 CA ALA A 96 -3.148 -1.531 -4.237 1.00 0.00 C ATOM 1451 C ALA A 96 -3.354 -2.707 -5.193 1.00 0.00 C ATOM 1452 O ALA A 96 -2.398 -3.207 -5.783 1.00 0.00 O ATOM 1453 CB ALA A 96 -3.318 -1.933 -2.771 1.00 0.00 C ATOM 0 H ALA A 96 -4.616 -0.111 -3.766 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.123 -1.182 -4.363 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.610 -2.725 -2.527 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -3.131 -1.069 -2.133 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.334 -2.291 -2.608 1.00 0.00 H new ATOM 1459 N LYS A 97 -4.608 -3.115 -5.316 1.00 0.00 N ATOM 1460 CA LYS A 97 -4.952 -4.223 -6.190 1.00 0.00 C ATOM 1461 C LYS A 97 -4.807 -3.781 -7.648 1.00 0.00 C ATOM 1462 O LYS A 97 -4.313 -4.538 -8.483 1.00 0.00 O ATOM 1463 CB LYS A 97 -6.342 -4.765 -5.848 1.00 0.00 C ATOM 1464 CG LYS A 97 -7.418 -3.702 -6.082 1.00 0.00 C ATOM 1465 CD LYS A 97 -8.806 -4.338 -6.170 1.00 0.00 C ATOM 1466 CE LYS A 97 -9.269 -4.449 -7.623 1.00 0.00 C ATOM 1467 NZ LYS A 97 -10.515 -5.242 -7.712 1.00 0.00 N ATOM 0 H LYS A 97 -5.399 -2.698 -4.825 1.00 0.00 H new ATOM 0 HA LYS A 97 -4.264 -5.055 -6.038 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.554 -5.643 -6.458 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.365 -5.087 -4.807 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.398 -2.974 -5.271 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.204 -3.159 -7.002 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.785 -5.328 -5.715 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.520 -3.741 -5.602 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.435 -3.453 -8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.490 -4.917 -8.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -10.815 -5.307 -8.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.346 -6.198 -7.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.261 -4.779 -7.155 1.00 0.00 H new ATOM 1481 N ARG A 98 -5.244 -2.559 -7.909 1.00 0.00 N ATOM 1482 CA ARG A 98 -5.169 -2.008 -9.251 1.00 0.00 C ATOM 1483 C ARG A 98 -3.709 -1.859 -9.683 1.00 0.00 C ATOM 1484 O ARG A 98 -3.414 -1.793 -10.875 1.00 0.00 O ATOM 1485 CB ARG A 98 -5.857 -0.643 -9.325 1.00 0.00 C ATOM 1486 CG ARG A 98 -5.976 -0.166 -10.774 1.00 0.00 C ATOM 1487 CD ARG A 98 -7.330 0.499 -11.023 1.00 0.00 C ATOM 1488 NE ARG A 98 -7.830 0.143 -12.371 1.00 0.00 N ATOM 1489 CZ ARG A 98 -8.487 -0.990 -12.652 1.00 0.00 C ATOM 1490 NH1 ARG A 98 -8.729 -1.884 -11.684 1.00 0.00 N ATOM 1491 NH2 ARG A 98 -8.904 -1.229 -13.904 1.00 0.00 N ATOM 0 H ARG A 98 -5.652 -1.934 -7.214 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.681 -2.698 -9.922 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.849 -0.707 -8.877 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.291 0.085 -8.744 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.175 0.539 -10.995 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.853 -1.012 -11.450 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.046 0.180 -10.265 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.234 1.581 -10.936 1.00 0.00 H new ATOM 0 HE ARG A 98 -7.664 0.801 -13.132 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -8.413 -1.702 -10.731 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -9.229 -2.746 -11.900 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.721 -0.548 -14.641 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.404 -2.091 -14.119 1.00 0.00 H new ATOM 1505 N VAL A 99 -2.833 -1.810 -8.690 1.00 0.00 N ATOM 1506 CA VAL A 99 -1.411 -1.671 -8.952 1.00 0.00 C ATOM 1507 C VAL A 99 -0.790 -3.059 -9.121 1.00 0.00 C ATOM 1508 O VAL A 99 -0.202 -3.358 -10.160 1.00 0.00 O ATOM 1509 CB VAL A 99 -0.751 -0.854 -7.839 1.00 0.00 C ATOM 1510 CG1 VAL A 99 0.774 -0.929 -7.934 1.00 0.00 C ATOM 1511 CG2 VAL A 99 -1.232 0.599 -7.868 1.00 0.00 C ATOM 0 H VAL A 99 -3.081 -1.864 -7.702 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.246 -1.125 -9.881 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.048 -1.287 -6.884 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.218 -0.340 -7.132 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.094 -1.967 -7.842 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.098 -0.534 -8.897 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.748 1.158 -7.067 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.978 1.047 -8.829 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.313 0.627 -7.729 1.00 0.00 H new ATOM 1521 N VAL A 100 -0.940 -3.870 -8.085 1.00 0.00 N ATOM 1522 CA VAL A 100 -0.401 -5.220 -8.106 1.00 0.00 C ATOM 1523 C VAL A 100 -0.981 -5.977 -9.303 1.00 0.00 C ATOM 1524 O VAL A 100 -0.343 -6.881 -9.839 1.00 0.00 O ATOM 1525 CB VAL A 100 -0.675 -5.914 -6.770 1.00 0.00 C ATOM 1526 CG1 VAL A 100 -0.143 -7.349 -6.779 1.00 0.00 C ATOM 1527 CG2 VAL A 100 -0.082 -5.117 -5.607 1.00 0.00 C ATOM 0 H VAL A 100 -1.427 -3.619 -7.225 1.00 0.00 H new ATOM 0 HA VAL A 100 0.682 -5.197 -8.229 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.755 -5.958 -6.630 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.350 -7.820 -5.818 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.632 -7.913 -7.573 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.933 -7.337 -6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.291 -5.632 -4.669 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.996 -5.027 -5.740 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.528 -4.123 -5.582 1.00 0.00 H new ATOM 1537 N ARG A 101 -2.187 -5.580 -9.686 1.00 0.00 N ATOM 1538 CA ARG A 101 -2.859 -6.210 -10.809 1.00 0.00 C ATOM 1539 C ARG A 101 -1.958 -6.192 -12.046 1.00 0.00 C ATOM 1540 O ARG A 101 -2.172 -6.959 -12.984 1.00 0.00 O ATOM 1541 CB ARG A 101 -4.174 -5.497 -11.134 1.00 0.00 C ATOM 1542 CG ARG A 101 -5.372 -6.292 -10.613 1.00 0.00 C ATOM 1543 CD ARG A 101 -5.985 -7.150 -11.721 1.00 0.00 C ATOM 1544 NE ARG A 101 -6.499 -8.417 -11.155 1.00 0.00 N ATOM 1545 CZ ARG A 101 -7.589 -9.054 -11.604 1.00 0.00 C ATOM 1546 NH1 ARG A 101 -8.286 -8.546 -12.629 1.00 0.00 N ATOM 1547 NH2 ARG A 101 -7.981 -10.199 -11.029 1.00 0.00 N ATOM 0 H ARG A 101 -2.715 -4.831 -9.238 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.077 -7.241 -10.529 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -4.172 -4.502 -10.689 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.263 -5.364 -12.212 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.058 -6.929 -9.786 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.124 -5.608 -10.220 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -6.794 -6.605 -12.208 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -5.237 -7.361 -12.485 1.00 0.00 H new ATOM 0 HE ARG A 101 -5.991 -8.832 -10.374 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -7.987 -7.675 -13.067 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -9.116 -9.030 -12.971 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -7.450 -10.586 -10.249 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -8.811 -10.684 -11.371 1.00 0.00 H new ATOM 1561 N ASP A 102 -0.971 -5.310 -12.007 1.00 0.00 N ATOM 1562 CA ASP A 102 -0.037 -5.183 -13.113 1.00 0.00 C ATOM 1563 C ASP A 102 1.010 -6.295 -13.020 1.00 0.00 C ATOM 1564 O ASP A 102 1.004 -7.081 -12.074 1.00 0.00 O ATOM 1565 CB ASP A 102 0.694 -3.840 -13.064 1.00 0.00 C ATOM 1566 CG ASP A 102 0.443 -2.923 -14.264 1.00 0.00 C ATOM 1567 OD1 ASP A 102 -0.676 -3.004 -14.816 1.00 0.00 O ATOM 1568 OD2 ASP A 102 1.376 -2.164 -14.603 1.00 0.00 O ATOM 0 H ASP A 102 -0.797 -4.676 -11.227 1.00 0.00 H new ATOM 0 HA ASP A 102 -0.602 -5.252 -14.042 1.00 0.00 H new ATOM 0 HB2 ASP A 102 0.397 -3.315 -12.156 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.765 -4.029 -12.988 1.00 0.00 H new ATOM 1573 N PRO A 103 1.907 -6.325 -14.042 1.00 0.00 N ATOM 1574 CA PRO A 103 2.959 -7.327 -14.085 1.00 0.00 C ATOM 1575 C PRO A 103 4.064 -7.005 -13.077 1.00 0.00 C ATOM 1576 O PRO A 103 5.069 -7.712 -13.006 1.00 0.00 O ATOM 1577 CB PRO A 103 3.447 -7.323 -15.524 1.00 0.00 C ATOM 1578 CG PRO A 103 2.979 -6.005 -16.120 1.00 0.00 C ATOM 1579 CD PRO A 103 1.945 -5.410 -15.179 1.00 0.00 C ATOM 0 HA PRO A 103 2.608 -8.319 -13.801 1.00 0.00 H new ATOM 0 HB2 PRO A 103 4.533 -7.408 -15.568 1.00 0.00 H new ATOM 0 HB3 PRO A 103 3.038 -8.169 -16.077 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.820 -5.322 -16.245 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.549 -6.164 -17.109 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.226 -4.404 -14.868 1.00 0.00 H new ATOM 0 HD3 PRO A 103 0.969 -5.335 -15.659 1.00 0.00 H new ATOM 1587 N GLN A 104 3.841 -5.939 -12.323 1.00 0.00 N ATOM 1588 CA GLN A 104 4.807 -5.515 -11.323 1.00 0.00 C ATOM 1589 C GLN A 104 4.832 -6.506 -10.158 1.00 0.00 C ATOM 1590 O GLN A 104 5.856 -7.136 -9.896 1.00 0.00 O ATOM 1591 CB GLN A 104 4.502 -4.099 -10.832 1.00 0.00 C ATOM 1592 CG GLN A 104 4.418 -3.119 -12.004 1.00 0.00 C ATOM 1593 CD GLN A 104 5.724 -2.335 -12.156 1.00 0.00 C ATOM 1594 OE1 GLN A 104 6.800 -2.797 -11.812 1.00 0.00 O ATOM 1595 NE2 GLN A 104 5.571 -1.127 -12.689 1.00 0.00 N ATOM 0 H GLN A 104 3.006 -5.356 -12.384 1.00 0.00 H new ATOM 0 HA GLN A 104 5.795 -5.499 -11.783 1.00 0.00 H new ATOM 0 HB2 GLN A 104 3.561 -4.096 -10.282 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.278 -3.776 -10.138 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.207 -3.664 -12.924 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.590 -2.427 -11.846 1.00 0.00 H new ATOM 0 HE21 GLN A 104 4.642 -0.801 -12.955 1.00 0.00 H new ATOM 0 HE22 GLN A 104 6.383 -0.526 -12.832 1.00 0.00 H new ATOM 1604 N GLY A 105 3.694 -6.613 -9.488 1.00 0.00 N ATOM 1605 CA GLY A 105 3.573 -7.517 -8.357 1.00 0.00 C ATOM 1606 C GLY A 105 4.219 -6.917 -7.106 1.00 0.00 C ATOM 1607 O GLY A 105 5.028 -5.995 -7.200 1.00 0.00 O ATOM 0 H GLY A 105 2.847 -6.088 -9.707 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.521 -7.725 -8.164 1.00 0.00 H new ATOM 0 HA3 GLY A 105 4.047 -8.469 -8.595 1.00 0.00 H new ATOM 1611 N ILE A 106 3.836 -7.465 -5.961 1.00 0.00 N ATOM 1612 CA ILE A 106 4.368 -6.997 -4.693 1.00 0.00 C ATOM 1613 C ILE A 106 5.863 -6.710 -4.846 1.00 0.00 C ATOM 1614 O ILE A 106 6.409 -5.851 -4.155 1.00 0.00 O ATOM 1615 CB ILE A 106 4.043 -7.990 -3.576 1.00 0.00 C ATOM 1616 CG1 ILE A 106 2.595 -7.835 -3.107 1.00 0.00 C ATOM 1617 CG2 ILE A 106 5.036 -7.859 -2.419 1.00 0.00 C ATOM 1618 CD1 ILE A 106 2.410 -6.539 -2.317 1.00 0.00 C ATOM 0 H ILE A 106 3.164 -8.228 -5.886 1.00 0.00 H new ATOM 0 HA ILE A 106 3.892 -6.060 -4.403 1.00 0.00 H new ATOM 0 HB ILE A 106 4.146 -8.998 -3.977 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.928 -7.838 -3.969 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.317 -8.686 -2.486 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.782 -8.576 -1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.045 -8.058 -2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.990 -6.849 -2.012 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.372 -6.454 -1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.061 -6.550 -1.443 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.665 -5.688 -2.949 1.00 0.00 H new ATOM 1630 N ARG A 107 6.484 -7.447 -5.756 1.00 0.00 N ATOM 1631 CA ARG A 107 7.905 -7.284 -6.007 1.00 0.00 C ATOM 1632 C ARG A 107 8.276 -5.799 -6.012 1.00 0.00 C ATOM 1633 O ARG A 107 9.352 -5.423 -5.550 1.00 0.00 O ATOM 1634 CB ARG A 107 8.302 -7.905 -7.348 1.00 0.00 C ATOM 1635 CG ARG A 107 9.778 -8.310 -7.350 1.00 0.00 C ATOM 1636 CD ARG A 107 10.078 -9.284 -8.491 1.00 0.00 C ATOM 1637 NE ARG A 107 9.712 -10.661 -8.092 1.00 0.00 N ATOM 1638 CZ ARG A 107 10.490 -11.458 -7.347 1.00 0.00 C ATOM 1639 NH1 ARG A 107 11.681 -11.022 -6.917 1.00 0.00 N ATOM 1640 NH2 ARG A 107 10.076 -12.694 -7.032 1.00 0.00 N ATOM 0 H ARG A 107 6.028 -8.158 -6.328 1.00 0.00 H new ATOM 0 HA ARG A 107 8.443 -7.795 -5.209 1.00 0.00 H new ATOM 0 HB2 ARG A 107 7.681 -8.779 -7.546 1.00 0.00 H new ATOM 0 HB3 ARG A 107 8.116 -7.193 -8.152 1.00 0.00 H new ATOM 0 HG2 ARG A 107 10.402 -7.422 -7.451 1.00 0.00 H new ATOM 0 HG3 ARG A 107 10.033 -8.772 -6.396 1.00 0.00 H new ATOM 0 HD2 ARG A 107 9.521 -8.995 -9.382 1.00 0.00 H new ATOM 0 HD3 ARG A 107 11.136 -9.240 -8.748 1.00 0.00 H new ATOM 0 HE ARG A 107 8.812 -11.026 -8.403 1.00 0.00 H new ATOM 0 HH11 ARG A 107 11.997 -10.082 -7.157 1.00 0.00 H new ATOM 0 HH12 ARG A 107 12.272 -11.630 -6.350 1.00 0.00 H new ATOM 0 HH21 ARG A 107 9.169 -13.027 -7.360 1.00 0.00 H new ATOM 0 HH22 ARG A 107 10.668 -13.301 -6.465 1.00 0.00 H new ATOM 1654 N ALA A 108 7.364 -4.995 -6.541 1.00 0.00 N ATOM 1655 CA ALA A 108 7.582 -3.561 -6.611 1.00 0.00 C ATOM 1656 C ALA A 108 8.170 -3.072 -5.286 1.00 0.00 C ATOM 1657 O ALA A 108 8.994 -2.158 -5.267 1.00 0.00 O ATOM 1658 CB ALA A 108 6.266 -2.861 -6.958 1.00 0.00 C ATOM 0 H ALA A 108 6.473 -5.310 -6.925 1.00 0.00 H new ATOM 0 HA ALA A 108 8.297 -3.320 -7.397 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.429 -1.785 -7.011 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.906 -3.221 -7.922 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.525 -3.078 -6.189 1.00 0.00 H new ATOM 1664 N TRP A 109 7.725 -3.704 -4.209 1.00 0.00 N ATOM 1665 CA TRP A 109 8.197 -3.344 -2.883 1.00 0.00 C ATOM 1666 C TRP A 109 9.248 -4.373 -2.462 1.00 0.00 C ATOM 1667 O TRP A 109 9.052 -5.104 -1.491 1.00 0.00 O ATOM 1668 CB TRP A 109 7.033 -3.240 -1.897 1.00 0.00 C ATOM 1669 CG TRP A 109 5.982 -2.196 -2.282 1.00 0.00 C ATOM 1670 CD1 TRP A 109 5.984 -0.885 -2.008 1.00 0.00 C ATOM 1671 CD2 TRP A 109 4.769 -2.432 -3.027 1.00 0.00 C ATOM 1672 NE1 TRP A 109 4.865 -0.260 -2.520 1.00 0.00 N ATOM 1673 CE2 TRP A 109 4.103 -1.230 -3.158 1.00 0.00 C ATOM 1674 CE3 TRP A 109 4.252 -3.620 -3.570 1.00 0.00 C ATOM 1675 CZ2 TRP A 109 2.882 -1.101 -3.832 1.00 0.00 C ATOM 1676 CZ3 TRP A 109 3.031 -3.474 -4.240 1.00 0.00 C ATOM 1677 CH2 TRP A 109 2.348 -2.271 -4.382 1.00 0.00 C ATOM 0 H TRP A 109 7.043 -4.462 -4.228 1.00 0.00 H new ATOM 0 HA TRP A 109 8.659 -2.357 -2.891 1.00 0.00 H new ATOM 0 HB2 TRP A 109 6.550 -4.214 -1.817 1.00 0.00 H new ATOM 0 HB3 TRP A 109 7.427 -2.997 -0.910 1.00 0.00 H new ATOM 0 HD1 TRP A 109 6.763 -0.380 -1.456 1.00 0.00 H new ATOM 0 HE1 TRP A 109 4.639 0.732 -2.444 1.00 0.00 H new ATOM 0 HE3 TRP A 109 4.756 -4.571 -3.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 2.380 -0.149 -3.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 2.589 -4.357 -4.677 1.00 0.00 H new ATOM 0 HH2 TRP A 109 1.409 -2.240 -4.915 1.00 0.00 H new ATOM 1688 N VAL A 110 10.341 -4.398 -3.211 1.00 0.00 N ATOM 1689 CA VAL A 110 11.422 -5.326 -2.926 1.00 0.00 C ATOM 1690 C VAL A 110 11.616 -5.428 -1.412 1.00 0.00 C ATOM 1691 O VAL A 110 12.011 -6.475 -0.902 1.00 0.00 O ATOM 1692 CB VAL A 110 12.691 -4.891 -3.663 1.00 0.00 C ATOM 1693 CG1 VAL A 110 13.253 -3.596 -3.071 1.00 0.00 C ATOM 1694 CG2 VAL A 110 13.742 -6.003 -3.648 1.00 0.00 C ATOM 0 H VAL A 110 10.501 -3.791 -4.015 1.00 0.00 H new ATOM 0 HA VAL A 110 11.175 -6.324 -3.289 1.00 0.00 H new ATOM 0 HB VAL A 110 12.425 -4.696 -4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 110 14.154 -3.309 -3.613 1.00 0.00 H new ATOM 0 HG12 VAL A 110 12.510 -2.804 -3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 110 13.496 -3.752 -2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 110 14.634 -5.668 -4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 110 14.002 -6.244 -2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 110 13.340 -6.890 -4.138 1.00 0.00 H new ATOM 1704 N ALA A 111 11.328 -4.326 -0.735 1.00 0.00 N ATOM 1705 CA ALA A 111 11.465 -4.278 0.711 1.00 0.00 C ATOM 1706 C ALA A 111 10.870 -5.551 1.317 1.00 0.00 C ATOM 1707 O ALA A 111 11.520 -6.225 2.115 1.00 0.00 O ATOM 1708 CB ALA A 111 10.798 -3.010 1.246 1.00 0.00 C ATOM 0 H ALA A 111 11.000 -3.459 -1.161 1.00 0.00 H new ATOM 0 HA ALA A 111 12.516 -4.237 0.996 1.00 0.00 H new ATOM 0 HB1 ALA A 111 10.901 -2.975 2.331 1.00 0.00 H new ATOM 0 HB2 ALA A 111 11.276 -2.134 0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 111 9.740 -3.016 0.982 1.00 0.00 H new ATOM 1714 N TRP A 112 9.641 -5.841 0.916 1.00 0.00 N ATOM 1715 CA TRP A 112 8.951 -7.020 1.410 1.00 0.00 C ATOM 1716 C TRP A 112 9.787 -8.246 1.042 1.00 0.00 C ATOM 1717 O TRP A 112 9.879 -9.195 1.819 1.00 0.00 O ATOM 1718 CB TRP A 112 7.521 -7.086 0.868 1.00 0.00 C ATOM 1719 CG TRP A 112 7.085 -8.487 0.433 1.00 0.00 C ATOM 1720 CD1 TRP A 112 6.312 -9.355 1.102 1.00 0.00 C ATOM 1721 CD2 TRP A 112 7.430 -9.151 -0.800 1.00 0.00 C ATOM 1722 NE1 TRP A 112 6.134 -10.524 0.391 1.00 0.00 N ATOM 1723 CE2 TRP A 112 6.836 -10.396 -0.802 1.00 0.00 C ATOM 1724 CE3 TRP A 112 8.218 -8.713 -1.879 1.00 0.00 C ATOM 1725 CZ2 TRP A 112 6.966 -11.307 -1.858 1.00 0.00 C ATOM 1726 CZ3 TRP A 112 8.339 -9.635 -2.926 1.00 0.00 C ATOM 1727 CH2 TRP A 112 7.747 -10.892 -2.944 1.00 0.00 C ATOM 0 H TRP A 112 9.105 -5.279 0.254 1.00 0.00 H new ATOM 0 HA TRP A 112 8.849 -6.981 2.495 1.00 0.00 H new ATOM 0 HB2 TRP A 112 6.836 -6.725 1.635 1.00 0.00 H new ATOM 0 HB3 TRP A 112 7.434 -6.409 0.018 1.00 0.00 H new ATOM 0 HD1 TRP A 112 5.883 -9.163 2.074 1.00 0.00 H new ATOM 0 HE1 TRP A 112 5.588 -11.333 0.686 1.00 0.00 H new ATOM 0 HE3 TRP A 112 8.692 -7.743 -1.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 6.490 -12.276 -1.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 8.935 -9.349 -3.780 1.00 0.00 H new ATOM 0 HH2 TRP A 112 7.888 -11.546 -3.792 1.00 0.00 H new ATOM 1738 N ARG A 113 10.377 -8.186 -0.143 1.00 0.00 N ATOM 1739 CA ARG A 113 11.203 -9.280 -0.624 1.00 0.00 C ATOM 1740 C ARG A 113 12.441 -9.440 0.261 1.00 0.00 C ATOM 1741 O ARG A 113 13.125 -10.461 0.200 1.00 0.00 O ATOM 1742 CB ARG A 113 11.646 -9.043 -2.070 1.00 0.00 C ATOM 1743 CG ARG A 113 12.069 -10.353 -2.736 1.00 0.00 C ATOM 1744 CD ARG A 113 13.586 -10.538 -2.668 1.00 0.00 C ATOM 1745 NE ARG A 113 13.909 -11.928 -2.279 1.00 0.00 N ATOM 1746 CZ ARG A 113 15.137 -12.462 -2.350 1.00 0.00 C ATOM 1747 NH1 ARG A 113 16.164 -11.726 -2.795 1.00 0.00 N ATOM 1748 NH2 ARG A 113 15.337 -13.733 -1.975 1.00 0.00 N ATOM 0 H ARG A 113 10.299 -7.397 -0.784 1.00 0.00 H new ATOM 0 HA ARG A 113 10.603 -10.189 -0.584 1.00 0.00 H new ATOM 0 HB2 ARG A 113 10.830 -8.591 -2.634 1.00 0.00 H new ATOM 0 HB3 ARG A 113 12.476 -8.337 -2.089 1.00 0.00 H new ATOM 0 HG2 ARG A 113 11.575 -11.191 -2.245 1.00 0.00 H new ATOM 0 HG3 ARG A 113 11.745 -10.357 -3.777 1.00 0.00 H new ATOM 0 HD2 ARG A 113 14.032 -10.309 -3.636 1.00 0.00 H new ATOM 0 HD3 ARG A 113 14.014 -9.841 -1.947 1.00 0.00 H new ATOM 0 HE ARG A 113 13.150 -12.517 -1.935 1.00 0.00 H new ATOM 0 HH11 ARG A 113 16.012 -10.758 -3.080 1.00 0.00 H new ATOM 0 HH12 ARG A 113 17.098 -12.133 -2.849 1.00 0.00 H new ATOM 0 HH21 ARG A 113 14.555 -14.294 -1.636 1.00 0.00 H new ATOM 0 HH22 ARG A 113 16.271 -14.140 -2.029 1.00 0.00 H new ATOM 1762 N ALA A 114 12.692 -8.416 1.063 1.00 0.00 N ATOM 1763 CA ALA A 114 13.835 -8.429 1.959 1.00 0.00 C ATOM 1764 C ALA A 114 13.355 -8.200 3.394 1.00 0.00 C ATOM 1765 O ALA A 114 14.083 -7.642 4.214 1.00 0.00 O ATOM 1766 CB ALA A 114 14.850 -7.377 1.509 1.00 0.00 C ATOM 0 H ALA A 114 12.123 -7.571 1.111 1.00 0.00 H new ATOM 0 HA ALA A 114 14.335 -9.397 1.929 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.707 -7.387 2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.182 -7.602 0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.385 -6.391 1.529 1.00 0.00 H new ATOM 1772 N HIS A 115 12.133 -8.642 3.654 1.00 0.00 N ATOM 1773 CA HIS A 115 11.548 -8.492 4.975 1.00 0.00 C ATOM 1774 C HIS A 115 10.561 -9.632 5.231 1.00 0.00 C ATOM 1775 O HIS A 115 10.590 -10.257 6.290 1.00 0.00 O ATOM 1776 CB HIS A 115 10.911 -7.110 5.133 1.00 0.00 C ATOM 1777 CG HIS A 115 11.303 -6.395 6.404 1.00 0.00 C ATOM 1778 ND1 HIS A 115 10.429 -6.209 7.461 1.00 0.00 N ATOM 1779 CD2 HIS A 115 12.484 -5.822 6.777 1.00 0.00 C ATOM 1780 CE1 HIS A 115 11.065 -5.553 8.420 1.00 0.00 C ATOM 1781 NE2 HIS A 115 12.338 -5.314 7.994 1.00 0.00 N ATOM 0 H HIS A 115 11.532 -9.104 2.972 1.00 0.00 H new ATOM 0 HA HIS A 115 12.329 -8.557 5.732 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.191 -6.492 4.280 1.00 0.00 H new ATOM 0 HB3 HIS A 115 9.826 -7.216 5.108 1.00 0.00 H new ATOM 0 HD2 HIS A 115 13.385 -5.788 6.182 1.00 0.00 H new ATOM 0 HE1 HIS A 115 10.648 -5.259 9.372 1.00 0.00 H new ATOM 0 HE2 HIS A 115 13.060 -4.825 8.524 1.00 0.00 H new ATOM 1790 N CYS A 116 9.710 -9.869 4.244 1.00 0.00 N ATOM 1791 CA CYS A 116 8.715 -10.923 4.350 1.00 0.00 C ATOM 1792 C CYS A 116 9.332 -12.219 3.820 1.00 0.00 C ATOM 1793 O CYS A 116 9.321 -13.240 4.506 1.00 0.00 O ATOM 1794 CB CYS A 116 7.426 -10.560 3.609 1.00 0.00 C ATOM 1795 SG CYS A 116 5.955 -10.362 4.681 1.00 0.00 S ATOM 0 H CYS A 116 9.689 -9.349 3.367 1.00 0.00 H new ATOM 0 HA CYS A 116 8.431 -11.056 5.394 1.00 0.00 H new ATOM 0 HB2 CYS A 116 7.587 -9.631 3.062 1.00 0.00 H new ATOM 0 HB3 CYS A 116 7.218 -11.334 2.870 1.00 0.00 H new ATOM 1800 N GLN A 117 9.854 -12.136 2.606 1.00 0.00 N ATOM 1801 CA GLN A 117 10.474 -13.290 1.977 1.00 0.00 C ATOM 1802 C GLN A 117 11.815 -13.602 2.645 1.00 0.00 C ATOM 1803 O GLN A 117 12.848 -13.647 1.981 1.00 0.00 O ATOM 1804 CB GLN A 117 10.650 -13.066 0.473 1.00 0.00 C ATOM 1805 CG GLN A 117 9.701 -13.959 -0.328 1.00 0.00 C ATOM 1806 CD GLN A 117 10.436 -15.179 -0.888 1.00 0.00 C ATOM 1807 OE1 GLN A 117 11.647 -15.301 -0.798 1.00 0.00 O ATOM 1808 NE2 GLN A 117 9.640 -16.071 -1.469 1.00 0.00 N ATOM 0 H GLN A 117 9.861 -11.287 2.040 1.00 0.00 H new ATOM 0 HA GLN A 117 9.816 -14.149 2.109 1.00 0.00 H new ATOM 0 HB2 GLN A 117 10.461 -12.020 0.233 1.00 0.00 H new ATOM 0 HB3 GLN A 117 11.681 -13.277 0.188 1.00 0.00 H new ATOM 0 HG2 GLN A 117 8.879 -14.286 0.309 1.00 0.00 H new ATOM 0 HG3 GLN A 117 9.262 -13.388 -1.146 1.00 0.00 H new ATOM 0 HE21 GLN A 117 8.634 -15.907 -1.510 1.00 0.00 H new ATOM 0 HE22 GLN A 117 10.035 -16.920 -1.874 1.00 0.00 H new ATOM 1817 N ASN A 118 11.753 -13.810 3.953 1.00 0.00 N ATOM 1818 CA ASN A 118 12.949 -14.117 4.718 1.00 0.00 C ATOM 1819 C ASN A 118 12.586 -15.065 5.864 1.00 0.00 C ATOM 1820 O ASN A 118 13.025 -16.214 5.887 1.00 0.00 O ATOM 1821 CB ASN A 118 13.555 -12.850 5.325 1.00 0.00 C ATOM 1822 CG ASN A 118 15.042 -13.044 5.628 1.00 0.00 C ATOM 1823 OD1 ASN A 118 15.457 -14.018 6.236 1.00 0.00 O ATOM 1824 ND2 ASN A 118 15.819 -12.067 5.171 1.00 0.00 N ATOM 0 H ASN A 118 10.894 -13.772 4.501 1.00 0.00 H new ATOM 0 HA ASN A 118 13.673 -14.575 4.044 1.00 0.00 H new ATOM 0 HB2 ASN A 118 13.427 -12.015 4.636 1.00 0.00 H new ATOM 0 HB3 ASN A 118 13.024 -12.592 6.241 1.00 0.00 H new ATOM 0 HD21 ASN A 118 16.827 -12.104 5.321 1.00 0.00 H new ATOM 0 HD22 ASN A 118 15.407 -11.280 4.670 1.00 0.00 H new ATOM 1831 N ARG A 119 11.790 -14.546 6.788 1.00 0.00 N ATOM 1832 CA ARG A 119 11.364 -15.330 7.934 1.00 0.00 C ATOM 1833 C ARG A 119 9.837 -15.374 8.009 1.00 0.00 C ATOM 1834 O ARG A 119 9.153 -14.922 7.092 1.00 0.00 O ATOM 1835 CB ARG A 119 11.915 -14.747 9.237 1.00 0.00 C ATOM 1836 CG ARG A 119 12.374 -15.858 10.184 1.00 0.00 C ATOM 1837 CD ARG A 119 13.590 -15.414 11.001 1.00 0.00 C ATOM 1838 NE ARG A 119 13.774 -16.311 12.163 1.00 0.00 N ATOM 1839 CZ ARG A 119 14.627 -16.074 13.169 1.00 0.00 C ATOM 1840 NH1 ARG A 119 15.380 -14.966 13.159 1.00 0.00 N ATOM 1841 NH2 ARG A 119 14.727 -16.945 14.182 1.00 0.00 N ATOM 0 H ARG A 119 11.429 -13.592 6.766 1.00 0.00 H new ATOM 0 HA ARG A 119 11.755 -16.340 7.808 1.00 0.00 H new ATOM 0 HB2 ARG A 119 12.751 -14.083 9.018 1.00 0.00 H new ATOM 0 HB3 ARG A 119 11.148 -14.144 9.723 1.00 0.00 H new ATOM 0 HG2 ARG A 119 11.559 -16.128 10.856 1.00 0.00 H new ATOM 0 HG3 ARG A 119 12.623 -16.750 9.610 1.00 0.00 H new ATOM 0 HD2 ARG A 119 14.483 -15.427 10.376 1.00 0.00 H new ATOM 0 HD3 ARG A 119 13.455 -14.387 11.341 1.00 0.00 H new ATOM 0 HE ARG A 119 13.216 -17.164 12.201 1.00 0.00 H new ATOM 0 HH11 ARG A 119 15.304 -14.304 12.386 1.00 0.00 H new ATOM 0 HH12 ARG A 119 16.030 -14.784 13.924 1.00 0.00 H new ATOM 0 HH21 ARG A 119 14.154 -17.789 14.188 1.00 0.00 H new ATOM 0 HH22 ARG A 119 15.376 -16.764 14.948 1.00 0.00 H new ATOM 1855 N ASP A 120 9.346 -15.924 9.110 1.00 0.00 N ATOM 1856 CA ASP A 120 7.911 -16.033 9.316 1.00 0.00 C ATOM 1857 C ASP A 120 7.398 -14.755 9.983 1.00 0.00 C ATOM 1858 O ASP A 120 7.530 -14.586 11.195 1.00 0.00 O ATOM 1859 CB ASP A 120 7.575 -17.211 10.231 1.00 0.00 C ATOM 1860 CG ASP A 120 6.081 -17.512 10.377 1.00 0.00 C ATOM 1861 OD1 ASP A 120 5.396 -16.685 11.017 1.00 0.00 O ATOM 1862 OD2 ASP A 120 5.658 -18.560 9.845 1.00 0.00 O ATOM 0 H ASP A 120 9.916 -16.299 9.869 1.00 0.00 H new ATOM 0 HA ASP A 120 7.441 -16.185 8.344 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.074 -18.102 9.849 1.00 0.00 H new ATOM 0 HB3 ASP A 120 7.989 -17.013 11.220 1.00 0.00 H new ATOM 1867 N LEU A 121 6.824 -13.887 9.163 1.00 0.00 N ATOM 1868 CA LEU A 121 6.290 -12.629 9.658 1.00 0.00 C ATOM 1869 C LEU A 121 4.789 -12.782 9.913 1.00 0.00 C ATOM 1870 O LEU A 121 4.077 -11.790 10.064 1.00 0.00 O ATOM 1871 CB LEU A 121 6.638 -11.486 8.703 1.00 0.00 C ATOM 1872 CG LEU A 121 6.623 -10.080 9.306 1.00 0.00 C ATOM 1873 CD1 LEU A 121 7.815 -9.258 8.811 1.00 0.00 C ATOM 1874 CD2 LEU A 121 5.290 -9.380 9.030 1.00 0.00 C ATOM 0 H LEU A 121 6.717 -14.030 8.159 1.00 0.00 H new ATOM 0 HA LEU A 121 6.751 -12.369 10.611 1.00 0.00 H new ATOM 0 HB2 LEU A 121 7.630 -11.673 8.291 1.00 0.00 H new ATOM 0 HB3 LEU A 121 5.937 -11.510 7.869 1.00 0.00 H new ATOM 0 HG LEU A 121 6.722 -10.171 10.388 1.00 0.00 H new ATOM 0 HD11 LEU A 121 7.780 -8.263 9.255 1.00 0.00 H new ATOM 0 HD12 LEU A 121 8.743 -9.752 9.100 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.772 -9.173 7.725 1.00 0.00 H new ATOM 0 HD21 LEU A 121 5.305 -8.382 9.469 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.137 -9.300 7.954 1.00 0.00 H new ATOM 0 HD23 LEU A 121 4.478 -9.958 9.470 1.00 0.00 H new ATOM 1886 N SER A 122 4.352 -14.033 9.952 1.00 0.00 N ATOM 1887 CA SER A 122 2.949 -14.328 10.185 1.00 0.00 C ATOM 1888 C SER A 122 2.602 -14.089 11.656 1.00 0.00 C ATOM 1889 O SER A 122 1.438 -13.884 11.997 1.00 0.00 O ATOM 1890 CB SER A 122 2.616 -15.767 9.789 1.00 0.00 C ATOM 1891 OG SER A 122 2.585 -15.938 8.375 1.00 0.00 O ATOM 0 H SER A 122 4.945 -14.853 9.826 1.00 0.00 H new ATOM 0 HA SER A 122 2.351 -13.661 9.564 1.00 0.00 H new ATOM 0 HB2 SER A 122 3.356 -16.442 10.220 1.00 0.00 H new ATOM 0 HB3 SER A 122 1.649 -16.044 10.209 1.00 0.00 H new ATOM 0 HG SER A 122 2.371 -16.870 8.163 1.00 0.00 H new ATOM 1897 N GLN A 123 3.632 -14.124 12.488 1.00 0.00 N ATOM 1898 CA GLN A 123 3.451 -13.914 13.914 1.00 0.00 C ATOM 1899 C GLN A 123 3.071 -12.457 14.192 1.00 0.00 C ATOM 1900 O GLN A 123 2.671 -12.118 15.304 1.00 0.00 O ATOM 1901 CB GLN A 123 4.707 -14.310 14.691 1.00 0.00 C ATOM 1902 CG GLN A 123 4.464 -14.240 16.201 1.00 0.00 C ATOM 1903 CD GLN A 123 5.194 -15.371 16.927 1.00 0.00 C ATOM 1904 OE1 GLN A 123 6.171 -15.165 17.628 1.00 0.00 O ATOM 1905 NE2 GLN A 123 4.666 -16.575 16.722 1.00 0.00 N ATOM 0 H GLN A 123 4.596 -14.295 12.201 1.00 0.00 H new ATOM 0 HA GLN A 123 2.637 -14.553 14.255 1.00 0.00 H new ATOM 0 HB2 GLN A 123 5.007 -15.321 14.414 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.530 -13.648 14.421 1.00 0.00 H new ATOM 0 HG2 GLN A 123 4.805 -13.278 16.584 1.00 0.00 H new ATOM 0 HG3 GLN A 123 3.395 -14.303 16.404 1.00 0.00 H new ATOM 0 HE21 GLN A 123 3.847 -16.677 16.123 1.00 0.00 H new ATOM 0 HE22 GLN A 123 5.080 -17.396 17.164 1.00 0.00 H new ATOM 1914 N TYR A 124 3.211 -11.636 13.161 1.00 0.00 N ATOM 1915 CA TYR A 124 2.889 -10.225 13.280 1.00 0.00 C ATOM 1916 C TYR A 124 1.378 -9.997 13.192 1.00 0.00 C ATOM 1917 O TYR A 124 0.832 -9.148 13.894 1.00 0.00 O ATOM 1918 CB TYR A 124 3.566 -9.535 12.094 1.00 0.00 C ATOM 1919 CG TYR A 124 4.239 -8.208 12.448 1.00 0.00 C ATOM 1920 CD1 TYR A 124 5.426 -8.201 13.152 1.00 0.00 C ATOM 1921 CD2 TYR A 124 3.661 -7.016 12.061 1.00 0.00 C ATOM 1922 CE1 TYR A 124 6.059 -6.952 13.484 1.00 0.00 C ATOM 1923 CE2 TYR A 124 4.295 -5.766 12.394 1.00 0.00 C ATOM 1924 CZ TYR A 124 5.462 -5.796 13.089 1.00 0.00 C ATOM 1925 OH TYR A 124 6.061 -4.616 13.403 1.00 0.00 O ATOM 0 H TYR A 124 3.543 -11.922 12.240 1.00 0.00 H new ATOM 0 HA TYR A 124 3.228 -9.835 14.240 1.00 0.00 H new ATOM 0 HB2 TYR A 124 4.313 -10.208 11.673 1.00 0.00 H new ATOM 0 HB3 TYR A 124 2.822 -9.358 11.317 1.00 0.00 H new ATOM 0 HD1 TYR A 124 5.880 -9.133 13.454 1.00 0.00 H new ATOM 0 HD2 TYR A 124 2.733 -7.020 11.508 1.00 0.00 H new ATOM 0 HE1 TYR A 124 6.988 -6.933 14.035 1.00 0.00 H new ATOM 0 HE2 TYR A 124 3.853 -4.826 12.098 1.00 0.00 H new ATOM 0 HH TYR A 124 5.523 -3.874 13.056 1.00 0.00 H new ATOM 1935 N ILE A 125 0.746 -10.772 12.322 1.00 0.00 N ATOM 1936 CA ILE A 125 -0.690 -10.668 12.133 1.00 0.00 C ATOM 1937 C ILE A 125 -1.400 -11.600 13.116 1.00 0.00 C ATOM 1938 O ILE A 125 -2.508 -11.308 13.564 1.00 0.00 O ATOM 1939 CB ILE A 125 -1.058 -10.922 10.669 1.00 0.00 C ATOM 1940 CG1 ILE A 125 -0.601 -12.313 10.224 1.00 0.00 C ATOM 1941 CG2 ILE A 125 -0.503 -9.820 9.765 1.00 0.00 C ATOM 1942 CD1 ILE A 125 -1.727 -13.053 9.498 1.00 0.00 C ATOM 0 H ILE A 125 1.203 -11.474 11.740 1.00 0.00 H new ATOM 0 HA ILE A 125 -1.030 -9.656 12.352 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.144 -10.895 10.579 1.00 0.00 H new ATOM 0 HG12 ILE A 125 0.263 -12.223 9.566 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -0.282 -12.890 11.092 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -0.779 -10.025 8.731 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.917 -8.858 10.067 1.00 0.00 H new ATOM 0 HG23 ILE A 125 0.583 -9.791 9.852 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -1.377 -14.039 9.192 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -2.581 -13.163 10.167 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.027 -12.485 8.617 1.00 0.00 H new ATOM 1954 N ARG A 126 -0.732 -12.702 13.424 1.00 0.00 N ATOM 1955 CA ARG A 126 -1.285 -13.678 14.346 1.00 0.00 C ATOM 1956 C ARG A 126 -1.155 -13.181 15.787 1.00 0.00 C ATOM 1957 O ARG A 126 -0.113 -13.358 16.416 1.00 0.00 O ATOM 1958 CB ARG A 126 -0.574 -15.027 14.213 1.00 0.00 C ATOM 1959 CG ARG A 126 -1.230 -16.083 15.104 1.00 0.00 C ATOM 1960 CD ARG A 126 -2.411 -16.746 14.391 1.00 0.00 C ATOM 1961 NE ARG A 126 -3.249 -17.474 15.371 1.00 0.00 N ATOM 1962 CZ ARG A 126 -4.139 -18.419 15.042 1.00 0.00 C ATOM 1963 NH1 ARG A 126 -4.312 -18.758 13.756 1.00 0.00 N ATOM 1964 NH2 ARG A 126 -4.856 -19.027 15.996 1.00 0.00 N ATOM 0 H ARG A 126 0.187 -12.940 13.051 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.338 -13.809 14.097 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -0.601 -15.355 13.174 1.00 0.00 H new ATOM 0 HB3 ARG A 126 0.476 -14.917 14.486 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -0.495 -16.840 15.378 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -1.573 -15.621 16.030 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -3.008 -15.991 13.879 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -2.046 -17.435 13.629 1.00 0.00 H new ATOM 0 HE ARG A 126 -3.142 -17.241 16.358 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -3.766 -18.296 13.029 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -4.990 -19.478 13.505 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -4.724 -18.770 16.974 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -5.534 -19.747 15.744 1.00 0.00 H new ATOM 1978 N ASN A 127 -2.228 -12.570 16.267 1.00 0.00 N ATOM 1979 CA ASN A 127 -2.247 -12.046 17.623 1.00 0.00 C ATOM 1980 C ASN A 127 -3.518 -11.220 17.829 1.00 0.00 C ATOM 1981 O ASN A 127 -4.023 -11.118 18.946 1.00 0.00 O ATOM 1982 CB ASN A 127 -1.044 -11.133 17.877 1.00 0.00 C ATOM 1983 CG ASN A 127 -1.066 -10.583 19.304 1.00 0.00 C ATOM 1984 OD1 ASN A 127 -1.591 -11.190 20.224 1.00 0.00 O ATOM 1985 ND2 ASN A 127 -0.468 -9.403 19.438 1.00 0.00 N ATOM 0 H ASN A 127 -3.090 -12.426 15.742 1.00 0.00 H new ATOM 0 HA ASN A 127 -2.212 -12.891 18.311 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -0.120 -11.688 17.711 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -1.052 -10.308 17.165 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -0.429 -8.952 20.352 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -0.048 -8.949 18.627 1.00 0.00 H new ATOM 1992 N CYS A 128 -4.000 -10.652 16.733 1.00 0.00 N ATOM 1993 CA CYS A 128 -5.204 -9.839 16.779 1.00 0.00 C ATOM 1994 C CYS A 128 -6.405 -10.769 16.953 1.00 0.00 C ATOM 1995 O CYS A 128 -7.451 -10.352 17.450 1.00 0.00 O ATOM 1996 CB CYS A 128 -5.339 -8.957 15.536 1.00 0.00 C ATOM 1997 SG CYS A 128 -5.825 -7.227 15.871 1.00 0.00 S ATOM 0 H CYS A 128 -3.579 -10.739 15.808 1.00 0.00 H new ATOM 0 HA CYS A 128 -5.151 -9.154 17.625 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -4.388 -8.956 15.004 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -6.076 -9.404 14.869 1.00 0.00 H new ATOM 2002 N GLY A 129 -6.217 -12.012 16.535 1.00 0.00 N ATOM 2003 CA GLY A 129 -7.273 -13.004 16.638 1.00 0.00 C ATOM 2004 C GLY A 129 -7.793 -13.398 15.254 1.00 0.00 C ATOM 2005 O GLY A 129 -8.979 -13.680 15.089 1.00 0.00 O ATOM 0 H GLY A 129 -5.349 -12.355 16.124 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -6.898 -13.888 17.154 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -8.092 -12.608 17.239 1.00 0.00 H new ATOM 2009 N VAL A 130 -6.880 -13.406 14.294 1.00 0.00 N ATOM 2010 CA VAL A 130 -7.231 -13.761 12.930 1.00 0.00 C ATOM 2011 C VAL A 130 -7.065 -15.269 12.741 1.00 0.00 C ATOM 2012 O VAL A 130 -7.853 -15.901 12.039 1.00 0.00 O ATOM 2013 CB VAL A 130 -6.396 -12.940 11.945 1.00 0.00 C ATOM 2014 CG1 VAL A 130 -6.458 -13.542 10.539 1.00 0.00 C ATOM 2015 CG2 VAL A 130 -6.845 -11.477 11.933 1.00 0.00 C ATOM 0 H VAL A 130 -5.897 -13.172 14.434 1.00 0.00 H new ATOM 0 HA VAL A 130 -8.275 -13.522 12.730 1.00 0.00 H new ATOM 0 HB VAL A 130 -5.359 -12.971 12.278 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -5.856 -12.940 9.858 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -6.070 -14.560 10.562 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -7.492 -13.555 10.194 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -6.236 -10.915 11.225 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -7.892 -11.420 11.636 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -6.727 -11.052 12.930 1.00 0.00 H new