USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1112 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 9 MET CE :methyl 167:sc= -0.363 (180deg=-0.594) USER MOD Set 1.2: A 118 CYS SG : rot 38:sc= 0.0338 USER MOD Set 2.1: A 83 HIS : no HE2:sc= 1.14 K(o=0.7,f=-4.3!) USER MOD Set 2.2: A 86 THR OG1 : rot 180:sc= -0.443 USER MOD Set 3.1: A 81 HIS : +bothHN:sc= -0.712 K(o=-0.72,f=-8.5!) USER MOD Set 3.2: A 105 TYR OH : rot 180:sc=-0.00382 USER MOD Set 4.1: A 25 CYS SG : rot 12:sc= -0.0897 USER MOD Set 4.2: A 47 ASN : amide:sc= 0.692 K(o=0.6,f=-7.9!) USER MOD Set 5.1: A 1 MET CE :methyl 144:sc= -0.246 (180deg=-0.92) USER MOD Set 5.2: A 3 THR OG1 : rot -30:sc= 0 USER MOD Single : A 1 MET N :NH3+ -168:sc= 2.26 (180deg=2.01) USER MOD Single : A 5 THR OG1 : rot 180:sc= -3.16! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -165:sc= 1.28 (180deg=0.815) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.403 F(o=-2.5!,f=-0.4) USER MOD Single : A 12 MET CE :methyl -173:sc= -0.961 (180deg=-1.09) USER MOD Single : A 15 HIS : no HD1:sc= -1.1 X(o=-1.1,f=-1.3) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= 0.892 K(o=0.89,f=-0.099) USER MOD Single : A 43 TYR OH : rot -161:sc= 1.26 USER MOD Single : A 46 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.047) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 51 SER OG : rot 114:sc= 1.2 USER MOD Single : A 54 HIS : +bothHN:sc= 1.11 K(o=1.1,f=-8.2!) USER MOD Single : A 56 SER OG : rot 180:sc= -0.137 USER MOD Single : A 57 MET CE :methyl 147:sc= -0.121 (180deg=-1.06) USER MOD Single : A 62 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 64 THR OG1 : rot 85:sc= 1.22 USER MOD Single : A 67 LYS NZ :NH3+ -167:sc= -0.0195 (180deg=-0.203) USER MOD Single : A 69 MET CE :methyl -154:sc= -1.11 (180deg=-3.11!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 1.02 K(o=1,f=-0.0048) USER MOD Single : A 76 MET CE :methyl 163:sc= -0.148 (180deg=-0.651) USER MOD Single : A 79 ASN :FLIP amide:sc= 0.924 F(o=-0.038,f=0.92) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc=-0.00412 USER MOD Single : A 95 LYS NZ :NH3+ 159:sc= -0.0608 (180deg=-0.362) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 79:sc= -0.336 USER MOD Single : A 109 SER OG : rot -160:sc= -0.638 USER MOD Single : A 114 GLN : amide:sc= -0.0351 K(o=-0.035,f=-1.2!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -171:sc= 1.26 (180deg=0.982) USER MOD Single : A 120 SER OG : rot 180:sc=-0.00298 USER MOD Single : A 124 LYS NZ :NH3+ -114:sc= 0.00591 (180deg=-0.22) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ 158:sc= 0.845 (180deg=0.523) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.579 -3.011 4.486 1.00 0.00 N ATOM 2 CA MET A 1 -13.433 -2.827 3.025 1.00 0.00 C ATOM 3 C MET A 1 -12.465 -1.690 2.740 1.00 0.00 C ATOM 4 O MET A 1 -12.511 -0.644 3.391 1.00 0.00 O ATOM 5 CB MET A 1 -14.788 -2.520 2.386 1.00 0.00 C ATOM 6 CG MET A 1 -14.736 -2.323 0.880 1.00 0.00 C ATOM 7 SD MET A 1 -16.281 -1.673 0.216 1.00 0.00 S ATOM 8 CE MET A 1 -16.337 -0.062 1.001 1.00 0.00 C ATOM 0 H1 MET A 1 -14.073 -3.906 4.675 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.638 -3.035 4.929 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.128 -2.222 4.882 1.00 0.00 H new ATOM 0 HA MET A 1 -13.043 -3.751 2.597 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.476 -3.335 2.611 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.198 -1.620 2.845 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.923 -1.640 0.634 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.510 -3.275 0.400 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.768 0.664 0.312 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.950 -0.117 1.901 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.327 0.248 1.269 1.00 0.00 H new ATOM 20 N ILE A 2 -11.585 -1.896 1.778 1.00 0.00 N ATOM 21 CA ILE A 2 -10.657 -0.855 1.377 1.00 0.00 C ATOM 22 C ILE A 2 -11.074 -0.287 0.025 1.00 0.00 C ATOM 23 O ILE A 2 -11.368 -1.030 -0.915 1.00 0.00 O ATOM 24 CB ILE A 2 -9.188 -1.357 1.339 1.00 0.00 C ATOM 25 CG1 ILE A 2 -8.236 -0.200 1.024 1.00 0.00 C ATOM 26 CG2 ILE A 2 -9.012 -2.482 0.331 1.00 0.00 C ATOM 27 CD1 ILE A 2 -6.771 -0.582 1.071 1.00 0.00 C ATOM 0 H ILE A 2 -11.493 -2.771 1.262 1.00 0.00 H new ATOM 0 HA ILE A 2 -10.696 -0.065 2.127 1.00 0.00 H new ATOM 0 HB ILE A 2 -8.945 -1.753 2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.468 0.190 0.033 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -8.414 0.608 1.734 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -7.973 -2.810 0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -9.656 -3.318 0.603 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -9.281 -2.125 -0.663 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -6.160 0.290 0.837 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -6.521 -0.943 2.069 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -6.576 -1.368 0.341 1.00 0.00 H new ATOM 39 N THR A 3 -11.145 1.027 -0.050 1.00 0.00 N ATOM 40 CA THR A 3 -11.612 1.692 -1.249 1.00 0.00 C ATOM 41 C THR A 3 -10.531 2.601 -1.819 1.00 0.00 C ATOM 42 O THR A 3 -10.005 3.474 -1.124 1.00 0.00 O ATOM 43 CB THR A 3 -12.880 2.513 -0.948 1.00 0.00 C ATOM 44 OG1 THR A 3 -13.777 1.726 -0.152 1.00 0.00 O ATOM 45 CG2 THR A 3 -13.576 2.939 -2.235 1.00 0.00 C ATOM 0 H THR A 3 -10.884 1.657 0.709 1.00 0.00 H new ATOM 0 HA THR A 3 -11.850 0.928 -1.989 1.00 0.00 H new ATOM 0 HB THR A 3 -12.590 3.412 -0.404 1.00 0.00 H new ATOM 0 HG1 THR A 3 -13.658 0.777 -0.366 1.00 0.00 H new ATOM 0 HG21 THR A 3 -14.468 3.517 -1.992 1.00 0.00 H new ATOM 0 HG22 THR A 3 -12.898 3.551 -2.830 1.00 0.00 H new ATOM 0 HG23 THR A 3 -13.861 2.054 -2.805 1.00 0.00 H new ATOM 53 N LEU A 4 -10.187 2.379 -3.076 1.00 0.00 N ATOM 54 CA LEU A 4 -9.222 3.219 -3.764 1.00 0.00 C ATOM 55 C LEU A 4 -9.637 3.408 -5.212 1.00 0.00 C ATOM 56 O LEU A 4 -10.487 2.681 -5.724 1.00 0.00 O ATOM 57 CB LEU A 4 -7.799 2.647 -3.653 1.00 0.00 C ATOM 58 CG LEU A 4 -7.626 1.171 -4.034 1.00 0.00 C ATOM 59 CD1 LEU A 4 -7.425 1.012 -5.531 1.00 0.00 C ATOM 60 CD2 LEU A 4 -6.461 0.566 -3.268 1.00 0.00 C ATOM 0 H LEU A 4 -10.564 1.620 -3.643 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.208 4.196 -3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.141 3.243 -4.286 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.457 2.777 -2.626 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.538 0.638 -3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.305 -0.044 -5.772 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.292 1.408 -6.059 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.533 1.558 -5.838 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.347 -0.482 -3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.546 1.107 -3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.653 0.638 -2.197 1.00 0.00 H new ATOM 72 N THR A 5 -9.053 4.385 -5.868 1.00 0.00 N ATOM 73 CA THR A 5 -9.489 4.753 -7.200 1.00 0.00 C ATOM 74 C THR A 5 -8.637 4.094 -8.274 1.00 0.00 C ATOM 75 O THR A 5 -7.601 3.489 -7.982 1.00 0.00 O ATOM 76 CB THR A 5 -9.453 6.279 -7.388 1.00 0.00 C ATOM 77 OG1 THR A 5 -8.104 6.756 -7.337 1.00 0.00 O ATOM 78 CG2 THR A 5 -10.265 6.962 -6.306 1.00 0.00 C ATOM 0 H THR A 5 -8.277 4.939 -5.504 1.00 0.00 H new ATOM 0 HA THR A 5 -10.515 4.399 -7.305 1.00 0.00 H new ATOM 0 HB THR A 5 -9.881 6.512 -8.363 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.096 7.728 -7.460 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.230 8.042 -6.452 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.299 6.622 -6.358 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.850 6.714 -5.329 1.00 0.00 H new ATOM 86 N LYS A 6 -9.091 4.210 -9.516 1.00 0.00 N ATOM 87 CA LYS A 6 -8.342 3.728 -10.664 1.00 0.00 C ATOM 88 C LYS A 6 -6.964 4.378 -10.702 1.00 0.00 C ATOM 89 O LYS A 6 -5.958 3.714 -10.949 1.00 0.00 O ATOM 90 CB LYS A 6 -9.118 4.047 -11.941 1.00 0.00 C ATOM 91 CG LYS A 6 -10.475 3.364 -12.001 1.00 0.00 C ATOM 92 CD LYS A 6 -11.304 3.840 -13.186 1.00 0.00 C ATOM 93 CE LYS A 6 -10.674 3.459 -14.519 1.00 0.00 C ATOM 94 NZ LYS A 6 -11.547 3.822 -15.669 1.00 0.00 N ATOM 0 H LYS A 6 -9.985 4.639 -9.753 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.209 2.649 -10.585 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.257 5.126 -12.014 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.526 3.742 -12.804 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.335 2.285 -12.067 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.019 3.558 -11.077 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.304 3.411 -13.123 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.418 4.923 -13.136 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.711 3.960 -14.622 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.479 2.387 -14.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.083 3.546 -16.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.457 3.325 -15.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.712 4.849 -15.669 1.00 0.00 H new ATOM 108 N LYS A 7 -6.940 5.676 -10.422 1.00 0.00 N ATOM 109 CA LYS A 7 -5.710 6.450 -10.360 1.00 0.00 C ATOM 110 C LYS A 7 -4.732 5.842 -9.352 1.00 0.00 C ATOM 111 O LYS A 7 -3.560 5.660 -9.659 1.00 0.00 O ATOM 112 CB LYS A 7 -6.056 7.883 -9.946 1.00 0.00 C ATOM 113 CG LYS A 7 -5.188 8.966 -10.566 1.00 0.00 C ATOM 114 CD LYS A 7 -3.707 8.747 -10.303 1.00 0.00 C ATOM 115 CE LYS A 7 -2.930 10.049 -10.370 1.00 0.00 C ATOM 116 NZ LYS A 7 -3.046 10.820 -9.104 1.00 0.00 N ATOM 0 H LYS A 7 -7.780 6.223 -10.231 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.232 6.443 -11.340 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.096 8.079 -10.209 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.982 7.958 -8.861 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.362 8.995 -11.642 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.485 9.937 -10.169 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.574 8.293 -9.321 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.307 8.045 -11.035 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.880 9.837 -10.573 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.300 10.652 -11.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.728 11.798 -9.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.037 10.825 -8.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.453 10.378 -8.373 1.00 0.00 H new ATOM 130 N GLN A 8 -5.222 5.531 -8.154 1.00 0.00 N ATOM 131 CA GLN A 8 -4.376 4.957 -7.103 1.00 0.00 C ATOM 132 C GLN A 8 -3.779 3.632 -7.563 1.00 0.00 C ATOM 133 O GLN A 8 -2.597 3.364 -7.347 1.00 0.00 O ATOM 134 CB GLN A 8 -5.183 4.726 -5.817 1.00 0.00 C ATOM 135 CG GLN A 8 -5.984 5.932 -5.351 1.00 0.00 C ATOM 136 CD GLN A 8 -5.131 7.153 -5.080 1.00 0.00 C ATOM 137 OE1 GLN A 8 -4.667 7.283 -3.850 1.00 0.00 O flip ATOM 138 NE2 GLN A 8 -4.902 7.977 -5.965 1.00 0.00 N flip ATOM 0 H GLN A 8 -6.197 5.665 -7.885 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.574 5.666 -6.899 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.866 3.891 -5.976 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.499 4.431 -5.022 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.728 6.179 -6.108 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.527 5.669 -4.443 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.280 7.838 -6.902 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.334 8.799 -5.762 1.00 0.00 H new ATOM 147 N MET A 9 -4.605 2.810 -8.201 1.00 0.00 N ATOM 148 CA MET A 9 -4.149 1.542 -8.751 1.00 0.00 C ATOM 149 C MET A 9 -3.069 1.790 -9.797 1.00 0.00 C ATOM 150 O MET A 9 -2.033 1.137 -9.799 1.00 0.00 O ATOM 151 CB MET A 9 -5.318 0.768 -9.368 1.00 0.00 C ATOM 152 CG MET A 9 -4.922 -0.582 -9.950 1.00 0.00 C ATOM 153 SD MET A 9 -4.218 -1.701 -8.717 1.00 0.00 S ATOM 154 CE MET A 9 -5.616 -1.924 -7.620 1.00 0.00 C ATOM 0 H MET A 9 -5.596 3.001 -8.349 1.00 0.00 H new ATOM 0 HA MET A 9 -3.731 0.941 -7.943 1.00 0.00 H new ATOM 0 HB2 MET A 9 -6.082 0.615 -8.606 1.00 0.00 H new ATOM 0 HB3 MET A 9 -5.768 1.374 -10.154 1.00 0.00 H new ATOM 0 HG2 MET A 9 -5.798 -1.049 -10.399 1.00 0.00 H new ATOM 0 HG3 MET A 9 -4.197 -0.429 -10.750 1.00 0.00 H new ATOM 0 HE1 MET A 9 -5.420 -2.758 -6.946 1.00 0.00 H new ATOM 0 HE2 MET A 9 -5.770 -1.015 -7.038 1.00 0.00 H new ATOM 0 HE3 MET A 9 -6.510 -2.135 -8.208 1.00 0.00 H new ATOM 164 N GLU A 10 -3.316 2.764 -10.663 1.00 0.00 N ATOM 165 CA GLU A 10 -2.376 3.155 -11.692 1.00 0.00 C ATOM 166 C GLU A 10 -1.070 3.673 -11.088 1.00 0.00 C ATOM 167 O GLU A 10 0.013 3.385 -11.599 1.00 0.00 O ATOM 168 CB GLU A 10 -3.036 4.225 -12.555 1.00 0.00 C ATOM 169 CG GLU A 10 -4.093 3.675 -13.498 1.00 0.00 C ATOM 170 CD GLU A 10 -3.499 2.860 -14.626 1.00 0.00 C ATOM 171 OE1 GLU A 10 -3.033 1.727 -14.377 1.00 0.00 O ATOM 172 OE2 GLU A 10 -3.481 3.359 -15.766 1.00 0.00 O ATOM 0 H GLU A 10 -4.181 3.305 -10.667 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.119 2.288 -12.300 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.492 4.973 -11.907 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.269 4.734 -13.139 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.790 3.055 -12.934 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.668 4.502 -13.916 1.00 0.00 H new ATOM 179 N GLU A 11 -1.184 4.431 -10.003 1.00 0.00 N ATOM 180 CA GLU A 11 -0.031 4.954 -9.286 1.00 0.00 C ATOM 181 C GLU A 11 0.810 3.827 -8.690 1.00 0.00 C ATOM 182 O GLU A 11 2.040 3.841 -8.782 1.00 0.00 O ATOM 183 CB GLU A 11 -0.505 5.924 -8.196 1.00 0.00 C ATOM 184 CG GLU A 11 -0.718 7.344 -8.702 1.00 0.00 C ATOM 185 CD GLU A 11 -1.052 8.329 -7.594 1.00 0.00 C ATOM 186 OE1 GLU A 11 -1.370 7.888 -6.475 1.00 0.00 O ATOM 187 OE2 GLU A 11 -1.001 9.557 -7.843 1.00 0.00 O ATOM 0 H GLU A 11 -2.080 4.699 -9.597 1.00 0.00 H new ATOM 0 HA GLU A 11 0.606 5.492 -9.989 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.438 5.554 -7.771 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.228 5.940 -7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.182 7.678 -9.218 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.524 7.345 -9.436 1.00 0.00 H new ATOM 194 N MET A 12 0.145 2.846 -8.097 1.00 0.00 N ATOM 195 CA MET A 12 0.835 1.693 -7.531 1.00 0.00 C ATOM 196 C MET A 12 1.410 0.810 -8.636 1.00 0.00 C ATOM 197 O MET A 12 2.567 0.395 -8.570 1.00 0.00 O ATOM 198 CB MET A 12 -0.107 0.875 -6.642 1.00 0.00 C ATOM 199 CG MET A 12 -0.567 1.617 -5.397 1.00 0.00 C ATOM 200 SD MET A 12 -1.632 0.623 -4.332 1.00 0.00 S ATOM 201 CE MET A 12 -2.975 0.243 -5.451 1.00 0.00 C ATOM 0 H MET A 12 -0.870 2.824 -7.995 1.00 0.00 H new ATOM 0 HA MET A 12 1.656 2.064 -6.918 1.00 0.00 H new ATOM 0 HB2 MET A 12 -0.981 0.583 -7.225 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.397 -0.044 -6.342 1.00 0.00 H new ATOM 0 HG2 MET A 12 0.306 1.938 -4.829 1.00 0.00 H new ATOM 0 HG3 MET A 12 -1.102 2.519 -5.696 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.772 -0.261 -4.905 1.00 0.00 H new ATOM 0 HE2 MET A 12 -3.359 1.166 -5.885 1.00 0.00 H new ATOM 0 HE3 MET A 12 -2.613 -0.408 -6.246 1.00 0.00 H new ATOM 211 N LEU A 13 0.599 0.550 -9.659 1.00 0.00 N ATOM 212 CA LEU A 13 0.994 -0.310 -10.772 1.00 0.00 C ATOM 213 C LEU A 13 2.198 0.250 -11.522 1.00 0.00 C ATOM 214 O LEU A 13 3.112 -0.496 -11.877 1.00 0.00 O ATOM 215 CB LEU A 13 -0.182 -0.518 -11.735 1.00 0.00 C ATOM 216 CG LEU A 13 -1.201 -1.571 -11.293 1.00 0.00 C ATOM 217 CD1 LEU A 13 -2.261 -1.774 -12.365 1.00 0.00 C ATOM 218 CD2 LEU A 13 -0.503 -2.887 -10.978 1.00 0.00 C ATOM 0 H LEU A 13 -0.345 0.927 -9.740 1.00 0.00 H new ATOM 0 HA LEU A 13 1.284 -1.273 -10.352 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.698 0.433 -11.865 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.213 -0.803 -12.710 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.693 -1.215 -10.388 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.976 -2.526 -12.032 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.781 -0.833 -12.545 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.786 -2.108 -13.288 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.242 -3.625 -10.665 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.015 -3.246 -11.867 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.218 -2.733 -10.176 1.00 0.00 H new ATOM 230 N ALA A 14 2.201 1.557 -11.756 1.00 0.00 N ATOM 231 CA ALA A 14 3.316 2.201 -12.444 1.00 0.00 C ATOM 232 C ALA A 14 4.603 2.025 -11.652 1.00 0.00 C ATOM 233 O ALA A 14 5.643 1.669 -12.202 1.00 0.00 O ATOM 234 CB ALA A 14 3.032 3.680 -12.663 1.00 0.00 C ATOM 0 H ALA A 14 1.449 2.189 -11.482 1.00 0.00 H new ATOM 0 HA ALA A 14 3.436 1.725 -13.417 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.876 4.140 -13.177 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.133 3.792 -13.269 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.884 4.169 -11.700 1.00 0.00 H new ATOM 240 N HIS A 15 4.515 2.254 -10.345 1.00 0.00 N ATOM 241 CA HIS A 15 5.664 2.121 -9.456 1.00 0.00 C ATOM 242 C HIS A 15 6.132 0.667 -9.386 1.00 0.00 C ATOM 243 O HIS A 15 7.324 0.391 -9.275 1.00 0.00 O ATOM 244 CB HIS A 15 5.298 2.630 -8.058 1.00 0.00 C ATOM 245 CG HIS A 15 6.467 2.787 -7.130 1.00 0.00 C ATOM 246 ND1 HIS A 15 7.486 3.690 -7.341 1.00 0.00 N ATOM 247 CD2 HIS A 15 6.764 2.157 -5.970 1.00 0.00 C ATOM 248 CE1 HIS A 15 8.356 3.611 -6.352 1.00 0.00 C ATOM 249 NE2 HIS A 15 7.941 2.687 -5.500 1.00 0.00 N ATOM 0 H HIS A 15 3.654 2.534 -9.876 1.00 0.00 H new ATOM 0 HA HIS A 15 6.483 2.721 -9.853 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.795 3.592 -8.155 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.583 1.940 -7.609 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.182 1.379 -5.499 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.255 4.201 -6.254 1.00 0.00 H new ATOM 0 HE2 HIS A 15 8.415 2.414 -4.639 1.00 0.00 H new ATOM 258 N ALA A 16 5.180 -0.250 -9.451 1.00 0.00 N ATOM 259 CA ALA A 16 5.475 -1.679 -9.393 1.00 0.00 C ATOM 260 C ALA A 16 6.210 -2.158 -10.644 1.00 0.00 C ATOM 261 O ALA A 16 7.258 -2.795 -10.549 1.00 0.00 O ATOM 262 CB ALA A 16 4.193 -2.475 -9.196 1.00 0.00 C ATOM 0 H ALA A 16 4.188 -0.031 -9.545 1.00 0.00 H new ATOM 0 HA ALA A 16 6.134 -1.845 -8.541 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.428 -3.539 -9.155 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.716 -2.172 -8.264 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.515 -2.285 -10.028 1.00 0.00 H new ATOM 268 N ARG A 17 5.665 -1.842 -11.812 1.00 0.00 N ATOM 269 CA ARG A 17 6.262 -2.274 -13.078 1.00 0.00 C ATOM 270 C ARG A 17 7.631 -1.633 -13.284 1.00 0.00 C ATOM 271 O ARG A 17 8.533 -2.233 -13.870 1.00 0.00 O ATOM 272 CB ARG A 17 5.355 -1.916 -14.254 1.00 0.00 C ATOM 273 CG ARG A 17 4.000 -2.603 -14.221 1.00 0.00 C ATOM 274 CD ARG A 17 3.128 -2.170 -15.389 1.00 0.00 C ATOM 275 NE ARG A 17 2.948 -0.720 -15.427 1.00 0.00 N ATOM 276 CZ ARG A 17 1.763 -0.110 -15.478 1.00 0.00 C ATOM 277 NH1 ARG A 17 0.639 -0.823 -15.516 1.00 0.00 N ATOM 278 NH2 ARG A 17 1.705 1.213 -15.504 1.00 0.00 N ATOM 0 H ARG A 17 4.813 -1.290 -11.913 1.00 0.00 H new ATOM 0 HA ARG A 17 6.380 -3.357 -13.032 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.203 -0.837 -14.267 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.861 -2.178 -15.183 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.138 -3.684 -14.249 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.496 -2.371 -13.283 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.580 -2.504 -16.323 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.155 -2.655 -15.315 1.00 0.00 H new ATOM 0 HE ARG A 17 3.784 -0.136 -15.414 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.681 -1.842 -15.506 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.264 -0.350 -15.555 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.565 1.762 -15.485 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.801 1.683 -15.543 1.00 0.00 H new ATOM 292 N GLN A 18 7.768 -0.410 -12.793 1.00 0.00 N ATOM 293 CA GLN A 18 9.006 0.347 -12.908 1.00 0.00 C ATOM 294 C GLN A 18 10.111 -0.283 -12.065 1.00 0.00 C ATOM 295 O GLN A 18 11.296 -0.156 -12.371 1.00 0.00 O ATOM 296 CB GLN A 18 8.759 1.782 -12.446 1.00 0.00 C ATOM 297 CG GLN A 18 9.885 2.745 -12.763 1.00 0.00 C ATOM 298 CD GLN A 18 9.626 4.128 -12.206 1.00 0.00 C ATOM 299 OE1 GLN A 18 10.005 4.437 -11.075 1.00 0.00 O ATOM 300 NE2 GLN A 18 8.969 4.969 -12.986 1.00 0.00 N ATOM 0 H GLN A 18 7.023 0.086 -12.303 1.00 0.00 H new ATOM 0 HA GLN A 18 9.327 0.340 -13.950 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.843 2.148 -12.910 1.00 0.00 H new ATOM 0 HB3 GLN A 18 8.591 1.780 -11.369 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.818 2.359 -12.353 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.014 2.808 -13.844 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.672 4.675 -13.917 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.759 5.912 -12.657 1.00 0.00 H new ATOM 309 N ALA A 19 9.712 -0.968 -11.005 1.00 0.00 N ATOM 310 CA ALA A 19 10.661 -1.552 -10.066 1.00 0.00 C ATOM 311 C ALA A 19 11.159 -2.919 -10.528 1.00 0.00 C ATOM 312 O ALA A 19 12.119 -3.451 -9.971 1.00 0.00 O ATOM 313 CB ALA A 19 10.033 -1.667 -8.689 1.00 0.00 C ATOM 0 H ALA A 19 8.733 -1.135 -10.771 1.00 0.00 H new ATOM 0 HA ALA A 19 11.523 -0.886 -10.020 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.752 -2.105 -7.997 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.746 -0.676 -8.336 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.149 -2.303 -8.744 1.00 0.00 H new ATOM 319 N LEU A 20 10.513 -3.477 -11.547 1.00 0.00 N ATOM 320 CA LEU A 20 10.870 -4.796 -12.060 1.00 0.00 C ATOM 321 C LEU A 20 12.330 -4.836 -12.517 1.00 0.00 C ATOM 322 O LEU A 20 12.871 -3.828 -12.982 1.00 0.00 O ATOM 323 CB LEU A 20 9.948 -5.182 -13.221 1.00 0.00 C ATOM 324 CG LEU A 20 8.486 -5.428 -12.841 1.00 0.00 C ATOM 325 CD1 LEU A 20 7.663 -5.751 -14.081 1.00 0.00 C ATOM 326 CD2 LEU A 20 8.384 -6.553 -11.820 1.00 0.00 C ATOM 0 H LEU A 20 9.735 -3.034 -12.036 1.00 0.00 H new ATOM 0 HA LEU A 20 10.746 -5.515 -11.250 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.983 -4.391 -13.970 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.341 -6.084 -13.691 1.00 0.00 H new ATOM 0 HG LEU A 20 8.086 -4.520 -12.390 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.626 -5.923 -13.794 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.713 -4.915 -14.779 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.061 -6.646 -14.559 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.338 -6.715 -11.561 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.799 -7.468 -12.244 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.942 -6.283 -10.924 1.00 0.00 H new ATOM 338 N PRO A 21 12.990 -6.005 -12.400 1.00 0.00 N ATOM 339 CA PRO A 21 12.366 -7.250 -11.936 1.00 0.00 C ATOM 340 C PRO A 21 12.378 -7.398 -10.413 1.00 0.00 C ATOM 341 O PRO A 21 12.248 -8.503 -9.883 1.00 0.00 O ATOM 342 CB PRO A 21 13.241 -8.317 -12.583 1.00 0.00 C ATOM 343 CG PRO A 21 14.602 -7.706 -12.659 1.00 0.00 C ATOM 344 CD PRO A 21 14.416 -6.206 -12.712 1.00 0.00 C ATOM 0 HA PRO A 21 11.311 -7.304 -12.203 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.251 -9.232 -11.990 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.872 -8.583 -13.573 1.00 0.00 H new ATOM 0 HG2 PRO A 21 15.200 -7.989 -11.793 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.134 -8.059 -13.543 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.056 -5.700 -11.990 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.668 -5.808 -13.695 1.00 0.00 H new ATOM 352 N ASN A 22 12.528 -6.281 -9.721 1.00 0.00 N ATOM 353 CA ASN A 22 12.478 -6.265 -8.267 1.00 0.00 C ATOM 354 C ASN A 22 11.036 -6.081 -7.830 1.00 0.00 C ATOM 355 O ASN A 22 10.109 -6.297 -8.611 1.00 0.00 O ATOM 356 CB ASN A 22 13.330 -5.120 -7.700 1.00 0.00 C ATOM 357 CG ASN A 22 14.692 -5.011 -8.357 1.00 0.00 C ATOM 358 OD1 ASN A 22 15.650 -5.652 -7.934 1.00 0.00 O ATOM 359 ND2 ASN A 22 14.790 -4.183 -9.387 1.00 0.00 N ATOM 0 H ASN A 22 12.686 -5.367 -10.145 1.00 0.00 H new ATOM 0 HA ASN A 22 12.875 -7.207 -7.890 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.795 -4.179 -7.828 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.461 -5.269 -6.628 1.00 0.00 H new ATOM 0 HD21 ASN A 22 15.686 -4.060 -9.859 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.970 -3.669 -9.708 1.00 0.00 H new ATOM 366 N GLU A 23 10.841 -5.677 -6.590 1.00 0.00 N ATOM 367 CA GLU A 23 9.512 -5.374 -6.111 1.00 0.00 C ATOM 368 C GLU A 23 9.442 -3.901 -5.717 1.00 0.00 C ATOM 369 O GLU A 23 10.468 -3.217 -5.676 1.00 0.00 O ATOM 370 CB GLU A 23 9.137 -6.307 -4.953 1.00 0.00 C ATOM 371 CG GLU A 23 9.804 -5.995 -3.624 1.00 0.00 C ATOM 372 CD GLU A 23 8.999 -5.014 -2.800 1.00 0.00 C ATOM 373 OE1 GLU A 23 7.751 -5.081 -2.847 1.00 0.00 O ATOM 374 OE2 GLU A 23 9.603 -4.171 -2.117 1.00 0.00 O ATOM 0 H GLU A 23 11.583 -5.552 -5.901 1.00 0.00 H new ATOM 0 HA GLU A 23 8.782 -5.545 -6.902 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.056 -6.272 -4.815 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.389 -7.329 -5.236 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.937 -6.918 -3.060 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.798 -5.586 -3.805 1.00 0.00 H new ATOM 381 N ALA A 24 8.248 -3.416 -5.426 1.00 0.00 N ATOM 382 CA ALA A 24 8.050 -2.000 -5.171 1.00 0.00 C ATOM 383 C ALA A 24 7.620 -1.743 -3.736 1.00 0.00 C ATOM 384 O ALA A 24 6.764 -2.441 -3.198 1.00 0.00 O ATOM 385 CB ALA A 24 7.019 -1.434 -6.133 1.00 0.00 C ATOM 0 H ALA A 24 7.401 -3.981 -5.360 1.00 0.00 H new ATOM 0 HA ALA A 24 9.005 -1.498 -5.328 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.879 -0.372 -5.932 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.366 -1.567 -7.158 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.072 -1.957 -6.000 1.00 0.00 H new ATOM 391 N CYS A 25 8.185 -0.705 -3.142 1.00 0.00 N ATOM 392 CA CYS A 25 7.844 -0.321 -1.784 1.00 0.00 C ATOM 393 C CYS A 25 7.138 1.027 -1.796 1.00 0.00 C ATOM 394 O CYS A 25 7.330 1.837 -2.710 1.00 0.00 O ATOM 395 CB CYS A 25 9.104 -0.208 -0.913 1.00 0.00 C ATOM 396 SG CYS A 25 10.015 -1.747 -0.662 1.00 0.00 S ATOM 0 H CYS A 25 8.886 -0.110 -3.583 1.00 0.00 H new ATOM 0 HA CYS A 25 7.191 -1.088 -1.369 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.775 0.521 -1.368 1.00 0.00 H new ATOM 0 HB3 CYS A 25 8.817 0.187 0.061 1.00 0.00 H new ATOM 0 HG CYS A 25 9.577 -2.650 -1.488 1.00 0.00 H new ATOM 402 N GLY A 26 6.315 1.252 -0.791 1.00 0.00 N ATOM 403 CA GLY A 26 5.624 2.510 -0.660 1.00 0.00 C ATOM 404 C GLY A 26 4.649 2.472 0.489 1.00 0.00 C ATOM 405 O GLY A 26 4.484 1.433 1.118 1.00 0.00 O ATOM 0 H GLY A 26 6.111 0.576 -0.055 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.346 3.311 -0.503 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.093 2.736 -1.585 1.00 0.00 H new ATOM 409 N LEU A 27 4.003 3.589 0.758 1.00 0.00 N ATOM 410 CA LEU A 27 3.042 3.672 1.846 1.00 0.00 C ATOM 411 C LEU A 27 1.696 4.147 1.317 1.00 0.00 C ATOM 412 O LEU A 27 1.628 4.813 0.284 1.00 0.00 O ATOM 413 CB LEU A 27 3.543 4.631 2.933 1.00 0.00 C ATOM 414 CG LEU A 27 4.829 4.202 3.650 1.00 0.00 C ATOM 415 CD1 LEU A 27 5.276 5.268 4.638 1.00 0.00 C ATOM 416 CD2 LEU A 27 4.624 2.875 4.366 1.00 0.00 C ATOM 0 H LEU A 27 4.125 4.457 0.237 1.00 0.00 H new ATOM 0 HA LEU A 27 2.926 2.680 2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.708 5.609 2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.756 4.752 3.677 1.00 0.00 H new ATOM 0 HG LEU A 27 5.610 4.077 2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.190 4.943 5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.464 6.201 4.106 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.495 5.425 5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.547 2.587 4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.827 2.978 5.102 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.351 2.108 3.641 1.00 0.00 H new ATOM 428 N LEU A 28 0.631 3.797 2.021 1.00 0.00 N ATOM 429 CA LEU A 28 -0.707 4.210 1.629 1.00 0.00 C ATOM 430 C LEU A 28 -1.347 5.034 2.735 1.00 0.00 C ATOM 431 O LEU A 28 -1.414 4.599 3.889 1.00 0.00 O ATOM 432 CB LEU A 28 -1.571 2.988 1.309 1.00 0.00 C ATOM 433 CG LEU A 28 -1.097 2.148 0.118 1.00 0.00 C ATOM 434 CD1 LEU A 28 -1.992 0.933 -0.061 1.00 0.00 C ATOM 435 CD2 LEU A 28 -1.080 2.985 -1.153 1.00 0.00 C ATOM 0 H LEU A 28 0.667 3.228 2.867 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.633 4.825 0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.610 2.349 2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.589 3.324 1.114 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.082 1.806 0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.643 0.346 -0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.960 0.321 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.016 1.259 -0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.741 2.372 -1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.085 3.355 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.402 3.829 -1.024 1.00 0.00 H new ATOM 447 N GLY A 29 -1.810 6.220 2.380 1.00 0.00 N ATOM 448 CA GLY A 29 -2.417 7.093 3.354 1.00 0.00 C ATOM 449 C GLY A 29 -3.797 7.540 2.936 1.00 0.00 C ATOM 450 O GLY A 29 -4.137 7.512 1.749 1.00 0.00 O ATOM 0 H GLY A 29 -1.775 6.593 1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.478 6.578 4.313 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.783 7.967 3.502 1.00 0.00 H new ATOM 454 N GLY A 30 -4.596 7.943 3.907 1.00 0.00 N ATOM 455 CA GLY A 30 -5.928 8.409 3.612 1.00 0.00 C ATOM 456 C GLY A 30 -6.821 8.412 4.830 1.00 0.00 C ATOM 457 O GLY A 30 -6.461 8.957 5.875 1.00 0.00 O ATOM 0 H GLY A 30 -4.345 7.955 4.895 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.874 9.417 3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.370 7.775 2.843 1.00 0.00 H new ATOM 461 N ARG A 31 -7.976 7.787 4.698 1.00 0.00 N ATOM 462 CA ARG A 31 -8.976 7.772 5.754 1.00 0.00 C ATOM 463 C ARG A 31 -9.252 6.350 6.203 1.00 0.00 C ATOM 464 O ARG A 31 -9.330 5.446 5.381 1.00 0.00 O ATOM 465 CB ARG A 31 -10.282 8.384 5.246 1.00 0.00 C ATOM 466 CG ARG A 31 -10.216 9.873 4.965 1.00 0.00 C ATOM 467 CD ARG A 31 -11.420 10.325 4.154 1.00 0.00 C ATOM 468 NE ARG A 31 -12.678 9.801 4.693 1.00 0.00 N ATOM 469 CZ ARG A 31 -13.711 9.421 3.941 1.00 0.00 C ATOM 470 NH1 ARG A 31 -13.654 9.531 2.616 1.00 0.00 N ATOM 471 NH2 ARG A 31 -14.800 8.930 4.515 1.00 0.00 N ATOM 0 H ARG A 31 -8.249 7.276 3.859 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.592 8.352 6.593 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.578 7.868 4.333 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.064 8.201 5.983 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.178 10.423 5.905 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.299 10.105 4.423 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.458 11.414 4.140 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.304 9.997 3.121 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.769 9.722 5.706 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.817 9.908 2.171 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -14.447 9.239 2.045 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -14.847 8.844 5.530 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -15.592 8.639 3.941 1.00 0.00 H new ATOM 485 N ARG A 32 -9.379 6.137 7.498 1.00 0.00 N ATOM 486 CA ARG A 32 -9.870 4.868 7.993 1.00 0.00 C ATOM 487 C ARG A 32 -10.816 5.096 9.154 1.00 0.00 C ATOM 488 O ARG A 32 -10.465 5.732 10.147 1.00 0.00 O ATOM 489 CB ARG A 32 -8.728 3.920 8.379 1.00 0.00 C ATOM 490 CG ARG A 32 -7.867 4.368 9.552 1.00 0.00 C ATOM 491 CD ARG A 32 -6.774 3.350 9.835 1.00 0.00 C ATOM 492 NE ARG A 32 -6.036 3.644 11.059 1.00 0.00 N ATOM 493 CZ ARG A 32 -5.203 2.782 11.649 1.00 0.00 C ATOM 494 NH1 ARG A 32 -5.023 1.566 11.143 1.00 0.00 N ATOM 495 NH2 ARG A 32 -4.559 3.131 12.753 1.00 0.00 N ATOM 0 H ARG A 32 -9.151 6.820 8.220 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.418 4.380 7.187 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.154 2.945 8.616 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.084 3.784 7.510 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.420 5.338 9.332 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.489 4.497 10.438 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.218 2.358 9.913 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.081 3.324 8.994 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.163 4.560 11.489 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.522 1.286 10.299 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.385 0.913 11.599 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.699 4.059 13.153 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.923 2.472 13.203 1.00 0.00 H new ATOM 509 N ASP A 33 -12.027 4.591 9.016 1.00 0.00 N ATOM 510 CA ASP A 33 -13.035 4.757 10.056 1.00 0.00 C ATOM 511 C ASP A 33 -13.148 3.492 10.884 1.00 0.00 C ATOM 512 O ASP A 33 -14.166 3.235 11.523 1.00 0.00 O ATOM 513 CB ASP A 33 -14.393 5.132 9.454 1.00 0.00 C ATOM 514 CG ASP A 33 -14.523 6.622 9.190 1.00 0.00 C ATOM 515 OD1 ASP A 33 -14.713 7.391 10.160 1.00 0.00 O ATOM 516 OD2 ASP A 33 -14.433 7.037 8.019 1.00 0.00 O ATOM 0 H ASP A 33 -12.340 4.065 8.200 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.722 5.574 10.706 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.535 4.588 8.521 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -15.186 4.816 10.131 1.00 0.00 H new ATOM 521 N GLY A 34 -12.080 2.711 10.875 1.00 0.00 N ATOM 522 CA GLY A 34 -12.048 1.475 11.623 1.00 0.00 C ATOM 523 C GLY A 34 -12.592 0.322 10.820 1.00 0.00 C ATOM 524 O GLY A 34 -11.879 -0.638 10.523 1.00 0.00 O ATOM 0 H GLY A 34 -11.226 2.915 10.356 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.023 1.258 11.923 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.630 1.588 12.537 1.00 0.00 H new ATOM 528 N ASP A 35 -13.853 0.438 10.456 1.00 0.00 N ATOM 529 CA ASP A 35 -14.529 -0.590 9.678 1.00 0.00 C ATOM 530 C ASP A 35 -14.042 -0.577 8.233 1.00 0.00 C ATOM 531 O ASP A 35 -13.766 -1.626 7.649 1.00 0.00 O ATOM 532 CB ASP A 35 -16.045 -0.389 9.732 1.00 0.00 C ATOM 533 CG ASP A 35 -16.806 -1.573 9.169 1.00 0.00 C ATOM 534 OD1 ASP A 35 -16.736 -2.664 9.763 1.00 0.00 O ATOM 535 OD2 ASP A 35 -17.492 -1.415 8.140 1.00 0.00 O ATOM 0 H ASP A 35 -14.438 1.241 10.687 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.291 -1.561 10.112 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -16.350 -0.223 10.765 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -16.310 0.509 9.173 1.00 0.00 H new ATOM 540 N ASP A 36 -13.912 0.616 7.662 1.00 0.00 N ATOM 541 CA ASP A 36 -13.446 0.743 6.286 1.00 0.00 C ATOM 542 C ASP A 36 -12.267 1.689 6.178 1.00 0.00 C ATOM 543 O ASP A 36 -12.020 2.524 7.054 1.00 0.00 O ATOM 544 CB ASP A 36 -14.550 1.222 5.347 1.00 0.00 C ATOM 545 CG ASP A 36 -15.668 0.214 5.178 1.00 0.00 C ATOM 546 OD1 ASP A 36 -15.374 -0.989 4.997 1.00 0.00 O ATOM 547 OD2 ASP A 36 -16.847 0.618 5.216 1.00 0.00 O ATOM 0 H ASP A 36 -14.120 1.501 8.125 1.00 0.00 H new ATOM 0 HA ASP A 36 -13.135 -0.257 5.984 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -14.965 2.154 5.730 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -14.118 1.443 4.371 1.00 0.00 H new ATOM 552 N ARG A 37 -11.552 1.532 5.084 1.00 0.00 N ATOM 553 CA ARG A 37 -10.346 2.291 4.794 1.00 0.00 C ATOM 554 C ARG A 37 -10.394 2.870 3.380 1.00 0.00 C ATOM 555 O ARG A 37 -10.667 2.151 2.419 1.00 0.00 O ATOM 556 CB ARG A 37 -9.118 1.394 4.967 1.00 0.00 C ATOM 557 CG ARG A 37 -8.774 1.130 6.426 1.00 0.00 C ATOM 558 CD ARG A 37 -8.120 -0.227 6.634 1.00 0.00 C ATOM 559 NE ARG A 37 -9.085 -1.323 6.520 1.00 0.00 N ATOM 560 CZ ARG A 37 -9.816 -1.785 7.541 1.00 0.00 C ATOM 561 NH1 ARG A 37 -9.704 -1.244 8.749 1.00 0.00 N ATOM 562 NH2 ARG A 37 -10.654 -2.791 7.351 1.00 0.00 N ATOM 0 H ARG A 37 -11.795 0.861 4.355 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.279 3.124 5.494 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.296 0.444 4.464 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.263 1.859 4.477 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.104 1.911 6.785 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.682 1.188 7.026 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.327 -0.364 5.899 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.651 -0.257 7.618 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.207 -1.761 5.607 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.057 -0.471 8.903 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.265 -1.602 9.522 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.742 -3.214 6.427 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.212 -3.144 8.129 1.00 0.00 H new ATOM 576 N TRP A 38 -10.129 4.160 3.262 1.00 0.00 N ATOM 577 CA TRP A 38 -10.113 4.842 1.976 1.00 0.00 C ATOM 578 C TRP A 38 -8.709 5.329 1.642 1.00 0.00 C ATOM 579 O TRP A 38 -8.090 6.042 2.435 1.00 0.00 O ATOM 580 CB TRP A 38 -11.059 6.040 1.999 1.00 0.00 C ATOM 581 CG TRP A 38 -12.493 5.667 2.170 1.00 0.00 C ATOM 582 CD1 TRP A 38 -13.397 5.460 1.178 1.00 0.00 C ATOM 583 CD2 TRP A 38 -13.189 5.457 3.402 1.00 0.00 C ATOM 584 NE1 TRP A 38 -14.619 5.142 1.711 1.00 0.00 N ATOM 585 CE2 TRP A 38 -14.519 5.133 3.077 1.00 0.00 C ATOM 586 CE3 TRP A 38 -12.821 5.517 4.747 1.00 0.00 C ATOM 587 CZ2 TRP A 38 -15.477 4.864 4.050 1.00 0.00 C ATOM 588 CZ3 TRP A 38 -13.771 5.249 5.710 1.00 0.00 C ATOM 589 CH2 TRP A 38 -15.088 4.930 5.359 1.00 0.00 C ATOM 0 H TRP A 38 -9.918 4.766 4.055 1.00 0.00 H new ATOM 0 HA TRP A 38 -10.438 4.131 1.217 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -10.767 6.707 2.810 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -10.946 6.599 1.070 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -13.184 5.535 0.122 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -15.465 4.944 1.177 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -11.809 5.769 5.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -16.492 4.612 3.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -13.494 5.286 6.753 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -15.811 4.732 6.137 1.00 0.00 H new ATOM 600 N VAL A 39 -8.217 4.952 0.471 1.00 0.00 N ATOM 601 CA VAL A 39 -6.895 5.377 0.026 1.00 0.00 C ATOM 602 C VAL A 39 -7.002 6.629 -0.835 1.00 0.00 C ATOM 603 O VAL A 39 -7.305 6.545 -2.029 1.00 0.00 O ATOM 604 CB VAL A 39 -6.182 4.277 -0.788 1.00 0.00 C ATOM 605 CG1 VAL A 39 -4.753 4.679 -1.119 1.00 0.00 C ATOM 606 CG2 VAL A 39 -6.191 2.961 -0.038 1.00 0.00 C ATOM 0 H VAL A 39 -8.712 4.353 -0.189 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.310 5.584 0.922 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.729 4.151 -1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.275 3.885 -1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.760 5.597 -1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.198 4.843 -0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.683 2.201 -0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.676 3.082 0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.221 2.652 0.143 1.00 0.00 H new ATOM 616 N GLU A 40 -6.759 7.782 -0.234 1.00 0.00 N ATOM 617 CA GLU A 40 -6.884 9.042 -0.951 1.00 0.00 C ATOM 618 C GLU A 40 -5.532 9.525 -1.470 1.00 0.00 C ATOM 619 O GLU A 40 -5.470 10.430 -2.304 1.00 0.00 O ATOM 620 CB GLU A 40 -7.527 10.110 -0.064 1.00 0.00 C ATOM 621 CG GLU A 40 -8.922 9.742 0.418 1.00 0.00 C ATOM 622 CD GLU A 40 -9.663 10.919 1.020 1.00 0.00 C ATOM 623 OE1 GLU A 40 -9.215 11.442 2.062 1.00 0.00 O ATOM 624 OE2 GLU A 40 -10.699 11.330 0.454 1.00 0.00 O ATOM 0 H GLU A 40 -6.476 7.873 0.742 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.531 8.868 -1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.887 10.285 0.801 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.578 11.047 -0.618 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.498 9.345 -0.418 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.847 8.947 1.160 1.00 0.00 H new ATOM 631 N ARG A 41 -4.447 8.924 -0.987 1.00 0.00 N ATOM 632 CA ARG A 41 -3.124 9.309 -1.453 1.00 0.00 C ATOM 633 C ARG A 41 -2.139 8.145 -1.379 1.00 0.00 C ATOM 634 O ARG A 41 -2.024 7.470 -0.352 1.00 0.00 O ATOM 635 CB ARG A 41 -2.598 10.490 -0.637 1.00 0.00 C ATOM 636 CG ARG A 41 -1.425 11.201 -1.295 1.00 0.00 C ATOM 637 CD ARG A 41 -1.792 11.671 -2.692 1.00 0.00 C ATOM 638 NE ARG A 41 -0.687 12.345 -3.362 1.00 0.00 N ATOM 639 CZ ARG A 41 -0.325 12.104 -4.622 1.00 0.00 C ATOM 640 NH1 ARG A 41 -0.941 11.162 -5.333 1.00 0.00 N ATOM 641 NH2 ARG A 41 0.661 12.796 -5.171 1.00 0.00 N ATOM 0 H ARG A 41 -4.459 8.183 -0.286 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.216 9.604 -2.498 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.406 11.204 -0.482 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.293 10.135 0.348 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.124 12.054 -0.687 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.569 10.528 -1.346 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.107 10.815 -3.289 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.644 12.348 -2.632 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.160 13.042 -2.836 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.696 10.619 -4.914 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.658 10.984 -6.297 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.144 13.513 -4.630 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.938 12.612 -6.135 1.00 0.00 H new ATOM 655 N VAL A 42 -1.446 7.910 -2.484 1.00 0.00 N ATOM 656 CA VAL A 42 -0.402 6.897 -2.539 1.00 0.00 C ATOM 657 C VAL A 42 0.964 7.553 -2.360 1.00 0.00 C ATOM 658 O VAL A 42 1.236 8.611 -2.929 1.00 0.00 O ATOM 659 CB VAL A 42 -0.429 6.120 -3.878 1.00 0.00 C ATOM 660 CG1 VAL A 42 0.686 5.086 -3.931 1.00 0.00 C ATOM 661 CG2 VAL A 42 -1.783 5.458 -4.087 1.00 0.00 C ATOM 0 H VAL A 42 -1.590 8.411 -3.361 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.585 6.187 -1.732 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.266 6.834 -4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.644 4.554 -4.882 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.650 5.585 -3.836 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.563 4.376 -3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.781 4.917 -5.033 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.977 4.762 -3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.562 6.220 -4.106 1.00 0.00 H new ATOM 671 N TYR A 43 1.810 6.934 -1.551 1.00 0.00 N ATOM 672 CA TYR A 43 3.147 7.446 -1.295 1.00 0.00 C ATOM 673 C TYR A 43 4.196 6.436 -1.743 1.00 0.00 C ATOM 674 O TYR A 43 4.607 5.573 -0.971 1.00 0.00 O ATOM 675 CB TYR A 43 3.329 7.771 0.191 1.00 0.00 C ATOM 676 CG TYR A 43 2.460 8.909 0.677 1.00 0.00 C ATOM 677 CD1 TYR A 43 1.145 8.691 1.068 1.00 0.00 C ATOM 678 CD2 TYR A 43 2.959 10.202 0.745 1.00 0.00 C ATOM 679 CE1 TYR A 43 0.352 9.732 1.510 1.00 0.00 C ATOM 680 CE2 TYR A 43 2.173 11.248 1.189 1.00 0.00 C ATOM 681 CZ TYR A 43 0.871 11.009 1.570 1.00 0.00 C ATOM 682 OH TYR A 43 0.087 12.050 2.015 1.00 0.00 O ATOM 0 H TYR A 43 1.591 6.069 -1.057 1.00 0.00 H new ATOM 0 HA TYR A 43 3.275 8.365 -1.867 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.107 6.880 0.778 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.374 8.021 0.374 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.736 7.692 1.026 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.979 10.394 0.446 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.670 9.547 1.807 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.578 12.248 1.237 1.00 0.00 H new ATOM 0 HH TYR A 43 0.474 12.900 1.719 1.00 0.00 H new ATOM 692 N PRO A 44 4.598 6.484 -3.017 1.00 0.00 N ATOM 693 CA PRO A 44 5.605 5.581 -3.560 1.00 0.00 C ATOM 694 C PRO A 44 7.027 5.986 -3.166 1.00 0.00 C ATOM 695 O PRO A 44 7.611 6.894 -3.756 1.00 0.00 O ATOM 696 CB PRO A 44 5.419 5.694 -5.084 1.00 0.00 C ATOM 697 CG PRO A 44 4.243 6.598 -5.293 1.00 0.00 C ATOM 698 CD PRO A 44 4.108 7.410 -4.039 1.00 0.00 C ATOM 0 HA PRO A 44 5.481 4.567 -3.179 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.313 6.102 -5.557 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.242 4.715 -5.529 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.397 7.242 -6.159 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.338 6.021 -5.482 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.702 8.323 -4.079 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.076 7.709 -3.857 1.00 0.00 H new ATOM 706 N LEU A 45 7.574 5.316 -2.157 1.00 0.00 N ATOM 707 CA LEU A 45 8.948 5.561 -1.733 1.00 0.00 C ATOM 708 C LEU A 45 9.907 4.672 -2.518 1.00 0.00 C ATOM 709 O LEU A 45 9.475 3.826 -3.308 1.00 0.00 O ATOM 710 CB LEU A 45 9.127 5.314 -0.226 1.00 0.00 C ATOM 711 CG LEU A 45 8.450 6.323 0.716 1.00 0.00 C ATOM 712 CD1 LEU A 45 8.646 7.749 0.224 1.00 0.00 C ATOM 713 CD2 LEU A 45 6.975 6.006 0.891 1.00 0.00 C ATOM 0 H LEU A 45 7.087 4.600 -1.618 1.00 0.00 H new ATOM 0 HA LEU A 45 9.174 6.608 -1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.744 4.320 0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.194 5.304 -0.006 1.00 0.00 H new ATOM 0 HG LEU A 45 8.928 6.237 1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.157 8.441 0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.711 7.975 0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.211 7.854 -0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.523 6.736 1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.477 6.046 -0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.865 5.008 1.314 1.00 0.00 H new ATOM 725 N ASN A 46 11.201 4.863 -2.302 1.00 0.00 N ATOM 726 CA ASN A 46 12.212 4.065 -2.984 1.00 0.00 C ATOM 727 C ASN A 46 12.484 2.780 -2.213 1.00 0.00 C ATOM 728 O ASN A 46 12.422 2.759 -0.983 1.00 0.00 O ATOM 729 CB ASN A 46 13.506 4.871 -3.160 1.00 0.00 C ATOM 730 CG ASN A 46 14.586 4.102 -3.908 1.00 0.00 C ATOM 731 OD1 ASN A 46 14.614 4.085 -5.139 1.00 0.00 O ATOM 732 ND2 ASN A 46 15.495 3.477 -3.172 1.00 0.00 N ATOM 0 H ASN A 46 11.576 5.562 -1.661 1.00 0.00 H new ATOM 0 HA ASN A 46 11.835 3.802 -3.972 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.284 5.792 -3.699 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.885 5.159 -2.179 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.249 2.960 -3.624 1.00 0.00 H new ATOM 0 HD22 ASN A 46 15.440 3.513 -2.154 1.00 0.00 H new ATOM 739 N ASN A 47 12.773 1.713 -2.939 1.00 0.00 N ATOM 740 CA ASN A 47 13.033 0.419 -2.324 1.00 0.00 C ATOM 741 C ASN A 47 14.490 0.339 -1.883 1.00 0.00 C ATOM 742 O ASN A 47 15.391 0.223 -2.715 1.00 0.00 O ATOM 743 CB ASN A 47 12.720 -0.717 -3.303 1.00 0.00 C ATOM 744 CG ASN A 47 12.639 -2.072 -2.621 1.00 0.00 C ATOM 745 OD1 ASN A 47 13.283 -2.315 -1.600 1.00 0.00 O ATOM 746 ND2 ASN A 47 11.853 -2.968 -3.192 1.00 0.00 N ATOM 0 H ASN A 47 12.834 1.716 -3.957 1.00 0.00 H new ATOM 0 HA ASN A 47 12.387 0.312 -1.453 1.00 0.00 H new ATOM 0 HB2 ASN A 47 11.774 -0.510 -3.804 1.00 0.00 H new ATOM 0 HB3 ASN A 47 13.489 -0.748 -4.075 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.764 -3.900 -2.787 1.00 0.00 H new ATOM 0 HD22 ASN A 47 11.336 -2.728 -4.038 1.00 0.00 H new ATOM 753 N LEU A 48 14.713 0.420 -0.578 1.00 0.00 N ATOM 754 CA LEU A 48 16.059 0.402 -0.024 1.00 0.00 C ATOM 755 C LEU A 48 16.712 -0.964 -0.172 1.00 0.00 C ATOM 756 O LEU A 48 17.896 -1.058 -0.497 1.00 0.00 O ATOM 757 CB LEU A 48 16.024 0.816 1.448 1.00 0.00 C ATOM 758 CG LEU A 48 16.096 2.322 1.716 1.00 0.00 C ATOM 759 CD1 LEU A 48 17.511 2.832 1.497 1.00 0.00 C ATOM 760 CD2 LEU A 48 15.121 3.096 0.839 1.00 0.00 C ATOM 0 H LEU A 48 13.973 0.499 0.120 1.00 0.00 H new ATOM 0 HA LEU A 48 16.661 1.116 -0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.107 0.430 1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.856 0.334 1.962 1.00 0.00 H new ATOM 0 HG LEU A 48 15.813 2.484 2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.546 3.904 1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 48 18.192 2.318 2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 48 17.812 2.640 0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.201 4.161 1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 48 15.359 2.922 -0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.104 2.760 1.041 1.00 0.00 H new ATOM 772 N ASP A 49 15.949 -2.028 0.055 1.00 0.00 N ATOM 773 CA ASP A 49 16.512 -3.367 -0.047 1.00 0.00 C ATOM 774 C ASP A 49 16.663 -3.744 -1.512 1.00 0.00 C ATOM 775 O ASP A 49 17.644 -4.377 -1.908 1.00 0.00 O ATOM 776 CB ASP A 49 15.632 -4.400 0.659 1.00 0.00 C ATOM 777 CG ASP A 49 16.441 -5.553 1.216 1.00 0.00 C ATOM 778 OD1 ASP A 49 17.119 -6.249 0.434 1.00 0.00 O ATOM 779 OD2 ASP A 49 16.411 -5.766 2.447 1.00 0.00 O ATOM 0 H ASP A 49 14.961 -1.992 0.305 1.00 0.00 H new ATOM 0 HA ASP A 49 17.487 -3.363 0.441 1.00 0.00 H new ATOM 0 HB2 ASP A 49 15.085 -3.917 1.469 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.890 -4.783 -0.042 1.00 0.00 H new ATOM 784 N GLN A 50 15.675 -3.334 -2.312 1.00 0.00 N ATOM 785 CA GLN A 50 15.653 -3.594 -3.749 1.00 0.00 C ATOM 786 C GLN A 50 15.596 -5.101 -4.003 1.00 0.00 C ATOM 787 O GLN A 50 16.007 -5.595 -5.050 1.00 0.00 O ATOM 788 CB GLN A 50 16.880 -2.959 -4.419 1.00 0.00 C ATOM 789 CG GLN A 50 16.796 -2.880 -5.935 1.00 0.00 C ATOM 790 CD GLN A 50 18.024 -2.241 -6.550 1.00 0.00 C ATOM 791 OE1 GLN A 50 19.124 -2.325 -6.001 1.00 0.00 O ATOM 792 NE2 GLN A 50 17.847 -1.590 -7.689 1.00 0.00 N ATOM 0 H GLN A 50 14.866 -2.811 -1.977 1.00 0.00 H new ATOM 0 HA GLN A 50 14.762 -3.143 -4.186 1.00 0.00 H new ATOM 0 HB2 GLN A 50 17.016 -1.953 -4.022 1.00 0.00 H new ATOM 0 HB3 GLN A 50 17.766 -3.532 -4.146 1.00 0.00 H new ATOM 0 HG2 GLN A 50 16.670 -3.883 -6.342 1.00 0.00 H new ATOM 0 HG3 GLN A 50 15.912 -2.308 -6.218 1.00 0.00 H new ATOM 0 HE21 GLN A 50 16.920 -1.544 -8.111 1.00 0.00 H new ATOM 0 HE22 GLN A 50 18.638 -1.135 -8.144 1.00 0.00 H new ATOM 801 N SER A 51 15.054 -5.825 -3.036 1.00 0.00 N ATOM 802 CA SER A 51 14.976 -7.270 -3.117 1.00 0.00 C ATOM 803 C SER A 51 13.516 -7.722 -3.133 1.00 0.00 C ATOM 804 O SER A 51 12.684 -7.149 -2.438 1.00 0.00 O ATOM 805 CB SER A 51 15.710 -7.877 -1.921 1.00 0.00 C ATOM 806 OG SER A 51 17.063 -7.452 -1.885 1.00 0.00 O ATOM 0 H SER A 51 14.660 -5.430 -2.182 1.00 0.00 H new ATOM 0 HA SER A 51 15.446 -7.609 -4.040 1.00 0.00 H new ATOM 0 HB2 SER A 51 15.209 -7.587 -0.997 1.00 0.00 H new ATOM 0 HB3 SER A 51 15.668 -8.965 -1.978 1.00 0.00 H new ATOM 0 HG SER A 51 17.208 -6.890 -1.095 1.00 0.00 H new ATOM 812 N PRO A 52 13.195 -8.768 -3.912 1.00 0.00 N ATOM 813 CA PRO A 52 11.820 -9.269 -4.047 1.00 0.00 C ATOM 814 C PRO A 52 11.369 -10.094 -2.843 1.00 0.00 C ATOM 815 O PRO A 52 10.173 -10.273 -2.607 1.00 0.00 O ATOM 816 CB PRO A 52 11.892 -10.146 -5.297 1.00 0.00 C ATOM 817 CG PRO A 52 13.304 -10.621 -5.353 1.00 0.00 C ATOM 818 CD PRO A 52 14.147 -9.531 -4.744 1.00 0.00 C ATOM 0 HA PRO A 52 11.097 -8.456 -4.113 1.00 0.00 H new ATOM 0 HB2 PRO A 52 11.196 -10.983 -5.233 1.00 0.00 H new ATOM 0 HB3 PRO A 52 11.630 -9.581 -6.191 1.00 0.00 H new ATOM 0 HG2 PRO A 52 13.421 -11.555 -4.803 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.607 -10.817 -6.382 1.00 0.00 H new ATOM 0 HD2 PRO A 52 14.960 -9.942 -4.146 1.00 0.00 H new ATOM 0 HD3 PRO A 52 14.601 -8.902 -5.510 1.00 0.00 H new ATOM 826 N GLU A 53 12.335 -10.596 -2.090 1.00 0.00 N ATOM 827 CA GLU A 53 12.049 -11.409 -0.915 1.00 0.00 C ATOM 828 C GLU A 53 12.022 -10.546 0.334 1.00 0.00 C ATOM 829 O GLU A 53 11.834 -11.042 1.445 1.00 0.00 O ATOM 830 CB GLU A 53 13.110 -12.493 -0.758 1.00 0.00 C ATOM 831 CG GLU A 53 13.191 -13.438 -1.941 1.00 0.00 C ATOM 832 CD GLU A 53 11.990 -14.355 -2.028 1.00 0.00 C ATOM 833 OE1 GLU A 53 10.941 -13.932 -2.561 1.00 0.00 O ATOM 834 OE2 GLU A 53 12.094 -15.509 -1.559 1.00 0.00 O ATOM 0 H GLU A 53 13.329 -10.455 -2.272 1.00 0.00 H new ATOM 0 HA GLU A 53 11.072 -11.873 -1.048 1.00 0.00 H new ATOM 0 HB2 GLU A 53 14.082 -12.021 -0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 53 12.899 -13.069 0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.270 -12.859 -2.861 1.00 0.00 H new ATOM 0 HG3 GLU A 53 14.098 -14.037 -1.863 1.00 0.00 H new ATOM 841 N HIS A 54 12.221 -9.255 0.138 1.00 0.00 N ATOM 842 CA HIS A 54 12.330 -8.313 1.239 1.00 0.00 C ATOM 843 C HIS A 54 11.430 -7.111 1.008 1.00 0.00 C ATOM 844 O HIS A 54 10.818 -6.981 -0.050 1.00 0.00 O ATOM 845 CB HIS A 54 13.782 -7.848 1.404 1.00 0.00 C ATOM 846 CG HIS A 54 14.626 -8.734 2.271 1.00 0.00 C ATOM 847 ND1 HIS A 54 15.708 -8.271 2.985 1.00 0.00 N ATOM 848 CD2 HIS A 54 14.536 -10.053 2.548 1.00 0.00 C ATOM 849 CE1 HIS A 54 16.240 -9.265 3.669 1.00 0.00 C ATOM 850 NE2 HIS A 54 15.547 -10.362 3.425 1.00 0.00 N ATOM 0 H HIS A 54 12.311 -8.830 -0.785 1.00 0.00 H new ATOM 0 HA HIS A 54 12.013 -8.820 2.150 1.00 0.00 H new ATOM 0 HB2 HIS A 54 14.243 -7.781 0.418 1.00 0.00 H new ATOM 0 HB3 HIS A 54 13.782 -6.843 1.825 1.00 0.00 H new ATOM 0 HD1 HIS A 54 16.046 -7.309 2.985 1.00 0.00 H new ATOM 0 HD2 HIS A 54 13.803 -10.740 2.152 1.00 0.00 H new ATOM 0 HE1 HIS A 54 17.099 -9.194 4.320 1.00 0.00 H new ATOM 0 HE2 HIS A 54 15.731 -11.284 3.821 1.00 0.00 H new ATOM 859 N PHE A 55 11.364 -6.248 2.008 1.00 0.00 N ATOM 860 CA PHE A 55 10.583 -5.022 1.934 1.00 0.00 C ATOM 861 C PHE A 55 11.084 -4.055 2.994 1.00 0.00 C ATOM 862 O PHE A 55 10.831 -4.232 4.186 1.00 0.00 O ATOM 863 CB PHE A 55 9.090 -5.323 2.136 1.00 0.00 C ATOM 864 CG PHE A 55 8.202 -4.104 2.112 1.00 0.00 C ATOM 865 CD1 PHE A 55 7.733 -3.594 0.911 1.00 0.00 C ATOM 866 CD2 PHE A 55 7.828 -3.477 3.291 1.00 0.00 C ATOM 867 CE1 PHE A 55 6.911 -2.484 0.887 1.00 0.00 C ATOM 868 CE2 PHE A 55 7.008 -2.365 3.271 1.00 0.00 C ATOM 869 CZ PHE A 55 6.549 -1.869 2.068 1.00 0.00 C ATOM 0 H PHE A 55 11.850 -6.377 2.895 1.00 0.00 H new ATOM 0 HA PHE A 55 10.701 -4.572 0.948 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.762 -6.012 1.358 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.960 -5.834 3.090 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.014 -4.070 -0.017 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.182 -3.862 4.236 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.552 -2.098 -0.056 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.727 -1.884 4.196 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.907 -1.001 2.051 1.00 0.00 H new ATOM 879 N SER A 56 11.835 -3.055 2.571 1.00 0.00 N ATOM 880 CA SER A 56 12.411 -2.108 3.508 1.00 0.00 C ATOM 881 C SER A 56 12.635 -0.756 2.850 1.00 0.00 C ATOM 882 O SER A 56 13.086 -0.671 1.705 1.00 0.00 O ATOM 883 CB SER A 56 13.731 -2.647 4.068 1.00 0.00 C ATOM 884 OG SER A 56 13.538 -3.912 4.684 1.00 0.00 O ATOM 0 H SER A 56 12.059 -2.878 1.592 1.00 0.00 H new ATOM 0 HA SER A 56 11.706 -1.976 4.329 1.00 0.00 H new ATOM 0 HB2 SER A 56 14.463 -2.736 3.265 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.138 -1.943 4.793 1.00 0.00 H new ATOM 0 HG SER A 56 14.393 -4.239 5.034 1.00 0.00 H new ATOM 890 N MET A 57 12.312 0.291 3.584 1.00 0.00 N ATOM 891 CA MET A 57 12.506 1.648 3.123 1.00 0.00 C ATOM 892 C MET A 57 13.240 2.434 4.197 1.00 0.00 C ATOM 893 O MET A 57 13.285 2.012 5.353 1.00 0.00 O ATOM 894 CB MET A 57 11.162 2.302 2.797 1.00 0.00 C ATOM 895 CG MET A 57 10.210 2.377 3.979 1.00 0.00 C ATOM 896 SD MET A 57 8.588 3.031 3.528 1.00 0.00 S ATOM 897 CE MET A 57 7.985 1.738 2.445 1.00 0.00 C ATOM 0 H MET A 57 11.907 0.222 4.518 1.00 0.00 H new ATOM 0 HA MET A 57 13.101 1.641 2.210 1.00 0.00 H new ATOM 0 HB2 MET A 57 11.341 3.310 2.423 1.00 0.00 H new ATOM 0 HB3 MET A 57 10.683 1.744 1.992 1.00 0.00 H new ATOM 0 HG2 MET A 57 10.090 1.382 4.407 1.00 0.00 H new ATOM 0 HG3 MET A 57 10.648 3.006 4.754 1.00 0.00 H new ATOM 0 HE1 MET A 57 6.903 1.653 2.547 1.00 0.00 H new ATOM 0 HE2 MET A 57 8.234 1.983 1.412 1.00 0.00 H new ATOM 0 HE3 MET A 57 8.450 0.790 2.716 1.00 0.00 H new ATOM 907 N ASP A 58 13.820 3.557 3.818 1.00 0.00 N ATOM 908 CA ASP A 58 14.614 4.351 4.746 1.00 0.00 C ATOM 909 C ASP A 58 13.699 5.133 5.682 1.00 0.00 C ATOM 910 O ASP A 58 12.620 5.565 5.273 1.00 0.00 O ATOM 911 CB ASP A 58 15.523 5.307 3.961 1.00 0.00 C ATOM 912 CG ASP A 58 16.542 6.011 4.836 1.00 0.00 C ATOM 913 OD1 ASP A 58 16.211 7.064 5.414 1.00 0.00 O ATOM 914 OD2 ASP A 58 17.679 5.514 4.949 1.00 0.00 O ATOM 0 H ASP A 58 13.758 3.943 2.876 1.00 0.00 H new ATOM 0 HA ASP A 58 15.236 3.687 5.347 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.044 4.747 3.184 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.908 6.053 3.458 1.00 0.00 H new ATOM 919 N PRO A 59 14.100 5.307 6.955 1.00 0.00 N ATOM 920 CA PRO A 59 13.341 6.108 7.923 1.00 0.00 C ATOM 921 C PRO A 59 12.981 7.493 7.386 1.00 0.00 C ATOM 922 O PRO A 59 11.926 8.039 7.711 1.00 0.00 O ATOM 923 CB PRO A 59 14.298 6.231 9.106 1.00 0.00 C ATOM 924 CG PRO A 59 15.151 5.016 9.028 1.00 0.00 C ATOM 925 CD PRO A 59 15.302 4.705 7.564 1.00 0.00 C ATOM 0 HA PRO A 59 12.386 5.644 8.171 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.896 7.140 9.039 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.756 6.275 10.051 1.00 0.00 H new ATOM 0 HG2 PRO A 59 16.122 5.191 9.491 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.691 4.182 9.558 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.216 5.135 7.155 1.00 0.00 H new ATOM 0 HD3 PRO A 59 15.347 3.631 7.385 1.00 0.00 H new ATOM 933 N ARG A 60 13.853 8.048 6.557 1.00 0.00 N ATOM 934 CA ARG A 60 13.623 9.360 5.965 1.00 0.00 C ATOM 935 C ARG A 60 12.498 9.295 4.935 1.00 0.00 C ATOM 936 O ARG A 60 11.711 10.236 4.803 1.00 0.00 O ATOM 937 CB ARG A 60 14.911 9.872 5.325 1.00 0.00 C ATOM 938 CG ARG A 60 16.051 10.021 6.321 1.00 0.00 C ATOM 939 CD ARG A 60 17.402 10.028 5.630 1.00 0.00 C ATOM 940 NE ARG A 60 18.504 10.017 6.592 1.00 0.00 N ATOM 941 CZ ARG A 60 19.144 8.912 6.979 1.00 0.00 C ATOM 942 NH1 ARG A 60 18.763 7.720 6.529 1.00 0.00 N ATOM 943 NH2 ARG A 60 20.157 9.001 7.831 1.00 0.00 N ATOM 0 H ARG A 60 14.730 7.609 6.277 1.00 0.00 H new ATOM 0 HA ARG A 60 13.321 10.053 6.750 1.00 0.00 H new ATOM 0 HB2 ARG A 60 15.214 9.187 4.534 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.718 10.836 4.855 1.00 0.00 H new ATOM 0 HG2 ARG A 60 15.925 10.946 6.883 1.00 0.00 H new ATOM 0 HG3 ARG A 60 16.015 9.203 7.041 1.00 0.00 H new ATOM 0 HD2 ARG A 60 17.481 9.159 4.977 1.00 0.00 H new ATOM 0 HD3 ARG A 60 17.482 10.911 4.996 1.00 0.00 H new ATOM 0 HE ARG A 60 18.801 10.908 6.991 1.00 0.00 H new ATOM 0 HH11 ARG A 60 17.977 7.646 5.884 1.00 0.00 H new ATOM 0 HH12 ARG A 60 19.257 6.880 6.829 1.00 0.00 H new ATOM 0 HH21 ARG A 60 20.444 9.912 8.188 1.00 0.00 H new ATOM 0 HH22 ARG A 60 20.648 8.158 8.129 1.00 0.00 H new ATOM 957 N GLU A 61 12.419 8.175 4.218 1.00 0.00 N ATOM 958 CA GLU A 61 11.328 7.939 3.277 1.00 0.00 C ATOM 959 C GLU A 61 10.005 7.894 4.032 1.00 0.00 C ATOM 960 O GLU A 61 9.030 8.545 3.651 1.00 0.00 O ATOM 961 CB GLU A 61 11.528 6.612 2.529 1.00 0.00 C ATOM 962 CG GLU A 61 12.764 6.562 1.645 1.00 0.00 C ATOM 963 CD GLU A 61 12.650 7.447 0.423 1.00 0.00 C ATOM 964 OE1 GLU A 61 12.026 7.018 -0.574 1.00 0.00 O ATOM 965 OE2 GLU A 61 13.187 8.573 0.450 1.00 0.00 O ATOM 0 H GLU A 61 13.099 7.417 4.272 1.00 0.00 H new ATOM 0 HA GLU A 61 11.318 8.752 2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.587 5.804 3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.649 6.422 1.913 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.634 6.866 2.228 1.00 0.00 H new ATOM 0 HG3 GLU A 61 12.936 5.534 1.328 1.00 0.00 H new ATOM 972 N GLN A 62 10.000 7.138 5.128 1.00 0.00 N ATOM 973 CA GLN A 62 8.810 6.980 5.956 1.00 0.00 C ATOM 974 C GLN A 62 8.386 8.318 6.544 1.00 0.00 C ATOM 975 O GLN A 62 7.225 8.711 6.447 1.00 0.00 O ATOM 976 CB GLN A 62 9.075 5.995 7.097 1.00 0.00 C ATOM 977 CG GLN A 62 9.520 4.614 6.639 1.00 0.00 C ATOM 978 CD GLN A 62 9.789 3.670 7.795 1.00 0.00 C ATOM 979 OE1 GLN A 62 9.071 3.851 8.894 1.00 0.00 O flip ATOM 980 NE2 GLN A 62 10.638 2.782 7.704 1.00 0.00 N flip ATOM 0 H GLN A 62 10.814 6.623 5.464 1.00 0.00 H new ATOM 0 HA GLN A 62 8.012 6.594 5.322 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.840 6.412 7.752 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.167 5.893 7.692 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.752 4.184 5.996 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.423 4.710 6.036 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.172 2.673 6.842 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.807 2.156 8.491 1.00 0.00 H new ATOM 989 N LEU A 63 9.348 9.020 7.135 1.00 0.00 N ATOM 990 CA LEU A 63 9.080 10.273 7.826 1.00 0.00 C ATOM 991 C LEU A 63 8.440 11.293 6.890 1.00 0.00 C ATOM 992 O LEU A 63 7.445 11.920 7.239 1.00 0.00 O ATOM 993 CB LEU A 63 10.376 10.840 8.416 1.00 0.00 C ATOM 994 CG LEU A 63 10.210 12.100 9.271 1.00 0.00 C ATOM 995 CD1 LEU A 63 9.313 11.823 10.468 1.00 0.00 C ATOM 996 CD2 LEU A 63 11.569 12.611 9.729 1.00 0.00 C ATOM 0 H LEU A 63 10.328 8.737 7.148 1.00 0.00 H new ATOM 0 HA LEU A 63 8.379 10.068 8.635 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.847 10.068 9.024 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.061 11.064 7.598 1.00 0.00 H new ATOM 0 HG LEU A 63 9.737 12.870 8.662 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.208 12.731 11.062 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.331 11.502 10.120 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.756 11.038 11.081 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.435 13.507 10.336 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.066 11.843 10.321 1.00 0.00 H new ATOM 0 HD23 LEU A 63 12.180 12.850 8.859 1.00 0.00 H new ATOM 1008 N THR A 64 9.002 11.438 5.697 1.00 0.00 N ATOM 1009 CA THR A 64 8.500 12.408 4.732 1.00 0.00 C ATOM 1010 C THR A 64 7.085 12.048 4.272 1.00 0.00 C ATOM 1011 O THR A 64 6.241 12.928 4.091 1.00 0.00 O ATOM 1012 CB THR A 64 9.444 12.498 3.517 1.00 0.00 C ATOM 1013 OG1 THR A 64 10.796 12.648 3.972 1.00 0.00 O ATOM 1014 CG2 THR A 64 9.079 13.673 2.623 1.00 0.00 C ATOM 0 H THR A 64 9.805 10.897 5.375 1.00 0.00 H new ATOM 0 HA THR A 64 8.462 13.380 5.224 1.00 0.00 H new ATOM 0 HB THR A 64 9.343 11.581 2.937 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.179 11.765 4.156 1.00 0.00 H new ATOM 0 HG21 THR A 64 9.762 13.711 1.775 1.00 0.00 H new ATOM 0 HG22 THR A 64 8.058 13.552 2.261 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.155 14.600 3.191 1.00 0.00 H new ATOM 1022 N ALA A 65 6.823 10.754 4.104 1.00 0.00 N ATOM 1023 CA ALA A 65 5.496 10.290 3.714 1.00 0.00 C ATOM 1024 C ALA A 65 4.478 10.591 4.812 1.00 0.00 C ATOM 1025 O ALA A 65 3.377 11.076 4.543 1.00 0.00 O ATOM 1026 CB ALA A 65 5.524 8.800 3.403 1.00 0.00 C ATOM 0 H ALA A 65 7.510 10.011 4.232 1.00 0.00 H new ATOM 0 HA ALA A 65 5.195 10.824 2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.526 8.470 3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.220 8.612 2.585 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.846 8.250 4.287 1.00 0.00 H new ATOM 1032 N VAL A 66 4.862 10.319 6.054 1.00 0.00 N ATOM 1033 CA VAL A 66 4.002 10.601 7.195 1.00 0.00 C ATOM 1034 C VAL A 66 3.834 12.107 7.383 1.00 0.00 C ATOM 1035 O VAL A 66 2.768 12.577 7.782 1.00 0.00 O ATOM 1036 CB VAL A 66 4.554 9.969 8.493 1.00 0.00 C ATOM 1037 CG1 VAL A 66 3.626 10.237 9.667 1.00 0.00 C ATOM 1038 CG2 VAL A 66 4.760 8.475 8.317 1.00 0.00 C ATOM 0 H VAL A 66 5.762 9.904 6.295 1.00 0.00 H new ATOM 0 HA VAL A 66 3.029 10.155 6.987 1.00 0.00 H new ATOM 0 HB VAL A 66 5.518 10.431 8.706 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.038 9.782 10.568 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.529 11.312 9.816 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.645 9.809 9.460 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.149 8.050 9.242 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.808 8.003 8.073 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.471 8.298 7.510 1.00 0.00 H new ATOM 1048 N LYS A 67 4.889 12.857 7.081 1.00 0.00 N ATOM 1049 CA LYS A 67 4.862 14.313 7.162 1.00 0.00 C ATOM 1050 C LYS A 67 3.781 14.900 6.261 1.00 0.00 C ATOM 1051 O LYS A 67 3.021 15.772 6.686 1.00 0.00 O ATOM 1052 CB LYS A 67 6.232 14.884 6.783 1.00 0.00 C ATOM 1053 CG LYS A 67 7.201 14.958 7.948 1.00 0.00 C ATOM 1054 CD LYS A 67 8.570 15.436 7.499 1.00 0.00 C ATOM 1055 CE LYS A 67 9.495 15.686 8.680 1.00 0.00 C ATOM 1056 NZ LYS A 67 9.049 16.837 9.508 1.00 0.00 N ATOM 0 H LYS A 67 5.783 12.474 6.774 1.00 0.00 H new ATOM 0 HA LYS A 67 4.628 14.590 8.190 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.668 14.268 5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.098 15.883 6.368 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.809 15.634 8.707 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.291 13.976 8.412 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.016 14.693 6.839 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.463 16.353 6.920 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.540 14.791 9.300 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.505 15.873 8.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.810 17.110 10.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.818 17.641 8.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.206 16.566 10.053 1.00 0.00 H new ATOM 1070 N ASP A 68 3.705 14.414 5.029 1.00 0.00 N ATOM 1071 CA ASP A 68 2.702 14.894 4.080 1.00 0.00 C ATOM 1072 C ASP A 68 1.305 14.513 4.554 1.00 0.00 C ATOM 1073 O ASP A 68 0.372 15.316 4.494 1.00 0.00 O ATOM 1074 CB ASP A 68 2.951 14.315 2.686 1.00 0.00 C ATOM 1075 CG ASP A 68 2.092 14.971 1.613 1.00 0.00 C ATOM 1076 OD1 ASP A 68 2.491 16.035 1.089 1.00 0.00 O ATOM 1077 OD2 ASP A 68 1.021 14.424 1.280 1.00 0.00 O ATOM 0 H ASP A 68 4.322 13.690 4.662 1.00 0.00 H new ATOM 0 HA ASP A 68 2.779 15.980 4.024 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.003 14.439 2.429 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.750 13.244 2.701 1.00 0.00 H new ATOM 1082 N MET A 69 1.177 13.288 5.045 1.00 0.00 N ATOM 1083 CA MET A 69 -0.098 12.809 5.578 1.00 0.00 C ATOM 1084 C MET A 69 -0.564 13.662 6.753 1.00 0.00 C ATOM 1085 O MET A 69 -1.713 14.092 6.788 1.00 0.00 O ATOM 1086 CB MET A 69 -0.010 11.340 5.999 1.00 0.00 C ATOM 1087 CG MET A 69 -0.160 10.369 4.841 1.00 0.00 C ATOM 1088 SD MET A 69 -0.201 8.642 5.360 1.00 0.00 S ATOM 1089 CE MET A 69 1.488 8.398 5.895 1.00 0.00 C ATOM 0 H MET A 69 1.936 12.607 5.087 1.00 0.00 H new ATOM 0 HA MET A 69 -0.832 12.895 4.777 1.00 0.00 H new ATOM 0 HB2 MET A 69 0.949 11.167 6.486 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.785 11.135 6.738 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.077 10.600 4.298 1.00 0.00 H new ATOM 0 HG3 MET A 69 0.667 10.513 4.146 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.750 7.344 5.803 1.00 0.00 H new ATOM 0 HE2 MET A 69 2.156 8.994 5.273 1.00 0.00 H new ATOM 0 HE3 MET A 69 1.588 8.707 6.935 1.00 0.00 H new ATOM 1099 N ARG A 70 0.330 13.929 7.703 1.00 0.00 N ATOM 1100 CA ARG A 70 -0.010 14.758 8.861 1.00 0.00 C ATOM 1101 C ARG A 70 -0.371 16.176 8.427 1.00 0.00 C ATOM 1102 O ARG A 70 -1.233 16.820 9.026 1.00 0.00 O ATOM 1103 CB ARG A 70 1.146 14.801 9.867 1.00 0.00 C ATOM 1104 CG ARG A 70 1.412 13.469 10.549 1.00 0.00 C ATOM 1105 CD ARG A 70 2.551 13.565 11.558 1.00 0.00 C ATOM 1106 NE ARG A 70 2.847 12.266 12.167 1.00 0.00 N ATOM 1107 CZ ARG A 70 3.975 11.976 12.826 1.00 0.00 C ATOM 1108 NH1 ARG A 70 4.880 12.920 13.066 1.00 0.00 N ATOM 1109 NH2 ARG A 70 4.184 10.739 13.266 1.00 0.00 N ATOM 0 H ARG A 70 1.291 13.586 7.696 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.876 14.306 9.345 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.052 15.123 9.353 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.927 15.551 10.627 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.507 13.133 11.054 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.655 12.718 9.797 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.444 13.947 11.063 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.288 14.280 12.337 1.00 0.00 H new ATOM 0 HE ARG A 70 2.144 11.531 12.083 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.718 13.875 12.747 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.737 12.689 13.569 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.486 10.014 13.101 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.043 10.515 13.769 1.00 0.00 H new ATOM 1123 N LYS A 71 0.285 16.645 7.374 1.00 0.00 N ATOM 1124 CA LYS A 71 0.041 17.980 6.843 1.00 0.00 C ATOM 1125 C LYS A 71 -1.368 18.088 6.265 1.00 0.00 C ATOM 1126 O LYS A 71 -2.035 19.109 6.419 1.00 0.00 O ATOM 1127 CB LYS A 71 1.077 18.305 5.765 1.00 0.00 C ATOM 1128 CG LYS A 71 1.022 19.739 5.267 1.00 0.00 C ATOM 1129 CD LYS A 71 2.150 20.026 4.291 1.00 0.00 C ATOM 1130 CE LYS A 71 2.146 21.476 3.845 1.00 0.00 C ATOM 1131 NZ LYS A 71 3.326 21.790 3.000 1.00 0.00 N ATOM 0 H LYS A 71 0.995 16.116 6.867 1.00 0.00 H new ATOM 0 HA LYS A 71 0.130 18.698 7.658 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.073 18.107 6.161 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.930 17.632 4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.063 19.922 4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.087 20.423 6.113 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.106 19.791 4.759 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.053 19.377 3.421 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.233 21.683 3.287 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.140 22.127 4.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.291 22.789 2.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.197 21.615 3.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.317 21.186 2.153 1.00 0.00 H new ATOM 1145 N ASN A 72 -1.813 17.027 5.607 1.00 0.00 N ATOM 1146 CA ASN A 72 -3.144 17.009 5.003 1.00 0.00 C ATOM 1147 C ASN A 72 -4.205 16.532 5.989 1.00 0.00 C ATOM 1148 O ASN A 72 -5.398 16.760 5.788 1.00 0.00 O ATOM 1149 CB ASN A 72 -3.169 16.119 3.761 1.00 0.00 C ATOM 1150 CG ASN A 72 -2.426 16.723 2.583 1.00 0.00 C ATOM 1151 OD1 ASN A 72 -2.991 17.505 1.816 1.00 0.00 O ATOM 1152 ND2 ASN A 72 -1.165 16.354 2.419 1.00 0.00 N ATOM 0 H ASN A 72 -1.277 16.169 5.476 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.375 18.035 4.716 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.728 15.152 4.005 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.204 15.934 3.474 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.625 16.720 1.635 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.734 15.704 3.077 1.00 0.00 H new ATOM 1159 N GLY A 73 -3.772 15.860 7.041 1.00 0.00 N ATOM 1160 CA GLY A 73 -4.700 15.358 8.033 1.00 0.00 C ATOM 1161 C GLY A 73 -5.088 13.915 7.779 1.00 0.00 C ATOM 1162 O GLY A 73 -6.082 13.429 8.322 1.00 0.00 O ATOM 0 H GLY A 73 -2.791 15.652 7.228 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -4.251 15.443 9.023 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.596 15.978 8.035 1.00 0.00 H new ATOM 1166 N TRP A 74 -4.307 13.232 6.954 1.00 0.00 N ATOM 1167 CA TRP A 74 -4.553 11.830 6.650 1.00 0.00 C ATOM 1168 C TRP A 74 -3.875 10.929 7.668 1.00 0.00 C ATOM 1169 O TRP A 74 -3.006 11.368 8.426 1.00 0.00 O ATOM 1170 CB TRP A 74 -4.047 11.476 5.254 1.00 0.00 C ATOM 1171 CG TRP A 74 -4.957 11.913 4.146 1.00 0.00 C ATOM 1172 CD1 TRP A 74 -6.309 11.754 4.092 1.00 0.00 C ATOM 1173 CD2 TRP A 74 -4.577 12.545 2.918 1.00 0.00 C ATOM 1174 NE1 TRP A 74 -6.796 12.250 2.911 1.00 0.00 N ATOM 1175 CE2 TRP A 74 -5.754 12.743 2.171 1.00 0.00 C ATOM 1176 CE3 TRP A 74 -3.358 12.964 2.375 1.00 0.00 C ATOM 1177 CZ2 TRP A 74 -5.746 13.345 0.915 1.00 0.00 C ATOM 1178 CZ3 TRP A 74 -3.352 13.560 1.127 1.00 0.00 C ATOM 1179 CH2 TRP A 74 -4.540 13.745 0.409 1.00 0.00 C ATOM 0 H TRP A 74 -3.494 13.628 6.482 1.00 0.00 H new ATOM 0 HA TRP A 74 -5.631 11.673 6.690 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.068 11.932 5.107 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -3.908 10.397 5.192 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -6.910 11.302 4.868 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.776 12.252 2.629 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -2.437 12.824 2.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.661 13.491 0.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -2.416 13.888 0.699 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -4.503 14.213 -0.564 1.00 0.00 H new ATOM 1190 N VAL A 75 -4.271 9.668 7.676 1.00 0.00 N ATOM 1191 CA VAL A 75 -3.682 8.681 8.563 1.00 0.00 C ATOM 1192 C VAL A 75 -2.986 7.600 7.752 1.00 0.00 C ATOM 1193 O VAL A 75 -3.339 7.360 6.595 1.00 0.00 O ATOM 1194 CB VAL A 75 -4.732 8.034 9.489 1.00 0.00 C ATOM 1195 CG1 VAL A 75 -5.321 9.067 10.429 1.00 0.00 C ATOM 1196 CG2 VAL A 75 -5.829 7.361 8.681 1.00 0.00 C ATOM 0 H VAL A 75 -5.006 9.301 7.071 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.957 9.201 9.190 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.233 7.269 10.084 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.060 8.592 11.075 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.528 9.497 11.040 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.800 9.856 9.849 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.556 6.913 9.358 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.325 8.101 8.054 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.393 6.585 8.051 1.00 0.00 H new ATOM 1206 N MET A 76 -2.002 6.955 8.362 1.00 0.00 N ATOM 1207 CA MET A 76 -1.234 5.920 7.687 1.00 0.00 C ATOM 1208 C MET A 76 -1.977 4.593 7.754 1.00 0.00 C ATOM 1209 O MET A 76 -2.039 3.952 8.807 1.00 0.00 O ATOM 1210 CB MET A 76 0.161 5.789 8.314 1.00 0.00 C ATOM 1211 CG MET A 76 1.070 4.795 7.602 1.00 0.00 C ATOM 1212 SD MET A 76 2.722 4.716 8.330 1.00 0.00 S ATOM 1213 CE MET A 76 2.335 4.144 9.983 1.00 0.00 C ATOM 0 H MET A 76 -1.717 7.131 9.325 1.00 0.00 H new ATOM 0 HA MET A 76 -1.112 6.200 6.641 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.641 6.768 8.315 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.053 5.485 9.355 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.615 3.805 7.635 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.153 5.073 6.551 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.239 3.760 10.456 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.942 4.973 10.572 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.589 3.351 9.928 1.00 0.00 H new ATOM 1223 N LEU A 77 -2.554 4.200 6.628 1.00 0.00 N ATOM 1224 CA LEU A 77 -3.324 2.970 6.549 1.00 0.00 C ATOM 1225 C LEU A 77 -2.394 1.767 6.581 1.00 0.00 C ATOM 1226 O LEU A 77 -2.553 0.854 7.393 1.00 0.00 O ATOM 1227 CB LEU A 77 -4.148 2.945 5.258 1.00 0.00 C ATOM 1228 CG LEU A 77 -5.015 4.180 5.011 1.00 0.00 C ATOM 1229 CD1 LEU A 77 -5.747 4.055 3.686 1.00 0.00 C ATOM 1230 CD2 LEU A 77 -6.003 4.376 6.148 1.00 0.00 C ATOM 0 H LEU A 77 -2.502 4.720 5.752 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.997 2.926 7.405 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.468 2.825 4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.793 2.066 5.275 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.365 5.054 4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.360 4.942 3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.022 3.962 2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.385 3.171 3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.611 5.260 5.954 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.649 3.501 6.224 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.460 4.508 7.084 1.00 0.00 H new ATOM 1242 N GLY A 78 -1.409 1.789 5.697 1.00 0.00 N ATOM 1243 CA GLY A 78 -0.480 0.694 5.583 1.00 0.00 C ATOM 1244 C GLY A 78 0.508 0.927 4.466 1.00 0.00 C ATOM 1245 O GLY A 78 1.089 2.006 4.362 1.00 0.00 O ATOM 0 H GLY A 78 -1.238 2.559 5.050 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.055 0.569 6.524 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.026 -0.232 5.401 1.00 0.00 H new ATOM 1249 N ASN A 79 0.676 -0.065 3.613 1.00 0.00 N ATOM 1250 CA ASN A 79 1.647 0.017 2.535 1.00 0.00 C ATOM 1251 C ASN A 79 1.313 -0.979 1.444 1.00 0.00 C ATOM 1252 O ASN A 79 0.374 -1.765 1.576 1.00 0.00 O ATOM 1253 CB ASN A 79 3.064 -0.251 3.054 1.00 0.00 C ATOM 1254 CG ASN A 79 3.216 -1.614 3.705 1.00 0.00 C ATOM 1255 OD1 ASN A 79 3.127 -1.653 5.025 1.00 0.00 O flip ATOM 1256 ND2 ASN A 79 3.439 -2.617 3.032 1.00 0.00 N flip ATOM 0 H ASN A 79 0.152 -0.940 3.644 1.00 0.00 H new ATOM 0 HA ASN A 79 1.606 1.027 2.126 1.00 0.00 H new ATOM 0 HB2 ASN A 79 3.768 -0.171 2.226 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.331 0.521 3.776 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.500 -2.546 2.016 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.563 -3.521 3.489 1.00 0.00 H new ATOM 1263 N PHE A 80 2.085 -0.946 0.374 1.00 0.00 N ATOM 1264 CA PHE A 80 1.930 -1.911 -0.696 1.00 0.00 C ATOM 1265 C PHE A 80 3.259 -2.594 -0.980 1.00 0.00 C ATOM 1266 O PHE A 80 4.316 -1.960 -0.979 1.00 0.00 O ATOM 1267 CB PHE A 80 1.346 -1.272 -1.965 1.00 0.00 C ATOM 1268 CG PHE A 80 2.175 -0.170 -2.575 1.00 0.00 C ATOM 1269 CD1 PHE A 80 2.035 1.141 -2.148 1.00 0.00 C ATOM 1270 CD2 PHE A 80 3.075 -0.445 -3.594 1.00 0.00 C ATOM 1271 CE1 PHE A 80 2.779 2.156 -2.720 1.00 0.00 C ATOM 1272 CE2 PHE A 80 3.825 0.567 -4.168 1.00 0.00 C ATOM 1273 CZ PHE A 80 3.674 1.868 -3.731 1.00 0.00 C ATOM 0 H PHE A 80 2.826 -0.261 0.224 1.00 0.00 H new ATOM 0 HA PHE A 80 1.214 -2.665 -0.369 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.204 -2.053 -2.712 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.359 -0.873 -1.729 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.336 1.373 -1.358 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.192 -1.460 -3.944 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.660 3.173 -2.376 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.527 0.339 -4.956 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.256 2.660 -4.180 1.00 0.00 H new ATOM 1283 N HIS A 81 3.186 -3.893 -1.199 1.00 0.00 N ATOM 1284 CA HIS A 81 4.357 -4.729 -1.383 1.00 0.00 C ATOM 1285 C HIS A 81 4.136 -5.627 -2.588 1.00 0.00 C ATOM 1286 O HIS A 81 3.062 -6.205 -2.753 1.00 0.00 O ATOM 1287 CB HIS A 81 4.572 -5.544 -0.105 1.00 0.00 C ATOM 1288 CG HIS A 81 5.721 -6.512 -0.103 1.00 0.00 C ATOM 1289 ND1 HIS A 81 6.924 -6.291 -0.726 1.00 0.00 N ATOM 1290 CD2 HIS A 81 5.846 -7.705 0.523 1.00 0.00 C ATOM 1291 CE1 HIS A 81 7.735 -7.303 -0.484 1.00 0.00 C ATOM 1292 NE2 HIS A 81 7.108 -8.178 0.279 1.00 0.00 N ATOM 0 H HIS A 81 2.304 -4.402 -1.255 1.00 0.00 H new ATOM 0 HA HIS A 81 5.248 -4.129 -1.568 1.00 0.00 H new ATOM 0 HB2 HIS A 81 4.713 -4.848 0.722 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.658 -6.101 0.100 1.00 0.00 H new ATOM 0 HD1 HIS A 81 7.155 -5.472 -1.288 1.00 0.00 H new ATOM 0 HD2 HIS A 81 5.085 -8.197 1.111 1.00 0.00 H new ATOM 0 HE1 HIS A 81 8.746 -7.399 -0.850 1.00 0.00 H new ATOM 0 HE2 HIS A 81 7.496 -9.055 0.627 1.00 0.00 H new ATOM 1301 N SER A 82 5.139 -5.748 -3.422 1.00 0.00 N ATOM 1302 CA SER A 82 4.976 -6.429 -4.691 1.00 0.00 C ATOM 1303 C SER A 82 5.797 -7.713 -4.740 1.00 0.00 C ATOM 1304 O SER A 82 6.754 -7.882 -3.990 1.00 0.00 O ATOM 1305 CB SER A 82 5.380 -5.494 -5.836 1.00 0.00 C ATOM 1306 OG SER A 82 5.099 -6.071 -7.100 1.00 0.00 O ATOM 0 H SER A 82 6.077 -5.386 -3.249 1.00 0.00 H new ATOM 0 HA SER A 82 3.927 -6.702 -4.801 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.847 -4.548 -5.740 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.444 -5.269 -5.766 1.00 0.00 H new ATOM 0 HG SER A 82 5.366 -5.450 -7.810 1.00 0.00 H new ATOM 1312 N HIS A 83 5.382 -8.640 -5.588 1.00 0.00 N ATOM 1313 CA HIS A 83 6.168 -9.831 -5.859 1.00 0.00 C ATOM 1314 C HIS A 83 6.292 -10.031 -7.363 1.00 0.00 C ATOM 1315 O HIS A 83 5.331 -9.821 -8.098 1.00 0.00 O ATOM 1316 CB HIS A 83 5.514 -11.067 -5.232 1.00 0.00 C ATOM 1317 CG HIS A 83 5.738 -11.214 -3.756 1.00 0.00 C ATOM 1318 ND1 HIS A 83 4.883 -11.915 -2.936 1.00 0.00 N ATOM 1319 CD2 HIS A 83 6.746 -10.784 -2.962 1.00 0.00 C ATOM 1320 CE1 HIS A 83 5.355 -11.911 -1.704 1.00 0.00 C ATOM 1321 NE2 HIS A 83 6.488 -11.232 -1.688 1.00 0.00 N ATOM 0 H HIS A 83 4.502 -8.589 -6.102 1.00 0.00 H new ATOM 0 HA HIS A 83 7.157 -9.699 -5.421 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.441 -11.029 -5.421 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.895 -11.957 -5.734 1.00 0.00 H new ATOM 0 HD1 HIS A 83 4.019 -12.367 -3.234 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.597 -10.196 -3.272 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.892 -12.384 -0.851 1.00 0.00 H new ATOM 1330 N PRO A 84 7.474 -10.444 -7.841 1.00 0.00 N ATOM 1331 CA PRO A 84 7.701 -10.719 -9.250 1.00 0.00 C ATOM 1332 C PRO A 84 7.541 -12.199 -9.610 1.00 0.00 C ATOM 1333 O PRO A 84 6.824 -12.547 -10.544 1.00 0.00 O ATOM 1334 CB PRO A 84 9.152 -10.270 -9.446 1.00 0.00 C ATOM 1335 CG PRO A 84 9.789 -10.296 -8.082 1.00 0.00 C ATOM 1336 CD PRO A 84 8.707 -10.596 -7.069 1.00 0.00 C ATOM 0 HA PRO A 84 6.979 -10.210 -9.888 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.676 -10.935 -10.133 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.195 -9.269 -9.876 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.571 -11.054 -8.041 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.261 -9.338 -7.863 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.805 -11.602 -6.661 1.00 0.00 H new ATOM 0 HD3 PRO A 84 8.742 -9.906 -6.226 1.00 0.00 H new ATOM 1344 N ALA A 85 8.210 -13.065 -8.858 1.00 0.00 N ATOM 1345 CA ALA A 85 8.190 -14.492 -9.137 1.00 0.00 C ATOM 1346 C ALA A 85 7.572 -15.254 -7.973 1.00 0.00 C ATOM 1347 O ALA A 85 7.888 -16.419 -7.735 1.00 0.00 O ATOM 1348 CB ALA A 85 9.601 -14.990 -9.414 1.00 0.00 C ATOM 0 H ALA A 85 8.773 -12.801 -8.050 1.00 0.00 H new ATOM 0 HA ALA A 85 7.579 -14.667 -10.022 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.575 -16.060 -9.622 1.00 0.00 H new ATOM 0 HB2 ALA A 85 10.010 -14.463 -10.276 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.230 -14.805 -8.543 1.00 0.00 H new ATOM 1354 N THR A 86 6.692 -14.584 -7.254 1.00 0.00 N ATOM 1355 CA THR A 86 5.997 -15.179 -6.127 1.00 0.00 C ATOM 1356 C THR A 86 4.560 -14.670 -6.080 1.00 0.00 C ATOM 1357 O THR A 86 4.273 -13.585 -6.584 1.00 0.00 O ATOM 1358 CB THR A 86 6.711 -14.861 -4.795 1.00 0.00 C ATOM 1359 OG1 THR A 86 7.361 -13.584 -4.879 1.00 0.00 O ATOM 1360 CG2 THR A 86 7.732 -15.934 -4.443 1.00 0.00 C ATOM 0 H THR A 86 6.438 -13.613 -7.434 1.00 0.00 H new ATOM 0 HA THR A 86 5.998 -16.261 -6.260 1.00 0.00 H new ATOM 0 HB THR A 86 5.957 -14.837 -4.008 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.810 -13.389 -4.030 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.217 -15.680 -3.500 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.229 -16.896 -4.345 1.00 0.00 H new ATOM 0 HG23 THR A 86 8.482 -15.995 -5.231 1.00 0.00 H new ATOM 1368 N PRO A 87 3.640 -15.444 -5.489 1.00 0.00 N ATOM 1369 CA PRO A 87 2.223 -15.080 -5.427 1.00 0.00 C ATOM 1370 C PRO A 87 1.922 -14.098 -4.298 1.00 0.00 C ATOM 1371 O PRO A 87 2.831 -13.623 -3.607 1.00 0.00 O ATOM 1372 CB PRO A 87 1.544 -16.424 -5.167 1.00 0.00 C ATOM 1373 CG PRO A 87 2.543 -17.198 -4.376 1.00 0.00 C ATOM 1374 CD PRO A 87 3.903 -16.739 -4.836 1.00 0.00 C ATOM 0 HA PRO A 87 1.883 -14.575 -6.331 1.00 0.00 H new ATOM 0 HB2 PRO A 87 0.612 -16.298 -4.616 1.00 0.00 H new ATOM 0 HB3 PRO A 87 1.297 -16.931 -6.100 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.414 -17.020 -3.308 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.420 -18.269 -4.538 1.00 0.00 H new ATOM 0 HD2 PRO A 87 4.592 -16.631 -3.999 1.00 0.00 H new ATOM 0 HD3 PRO A 87 4.352 -17.451 -5.528 1.00 0.00 H new ATOM 1382 N ALA A 88 0.644 -13.806 -4.103 1.00 0.00 N ATOM 1383 CA ALA A 88 0.224 -12.888 -3.059 1.00 0.00 C ATOM 1384 C ALA A 88 0.048 -13.618 -1.732 1.00 0.00 C ATOM 1385 O ALA A 88 -1.071 -13.850 -1.280 1.00 0.00 O ATOM 1386 CB ALA A 88 -1.057 -12.169 -3.454 1.00 0.00 C ATOM 0 H ALA A 88 -0.120 -14.194 -4.657 1.00 0.00 H new ATOM 0 HA ALA A 88 1.007 -12.140 -2.932 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.352 -11.487 -2.657 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.889 -11.604 -4.371 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.849 -12.900 -3.618 1.00 0.00 H new ATOM 1392 N ARG A 89 1.166 -14.014 -1.139 1.00 0.00 N ATOM 1393 CA ARG A 89 1.167 -14.643 0.176 1.00 0.00 C ATOM 1394 C ARG A 89 2.330 -14.110 1.000 1.00 0.00 C ATOM 1395 O ARG A 89 3.396 -13.821 0.455 1.00 0.00 O ATOM 1396 CB ARG A 89 1.275 -16.171 0.065 1.00 0.00 C ATOM 1397 CG ARG A 89 0.077 -16.832 -0.600 1.00 0.00 C ATOM 1398 CD ARG A 89 0.155 -18.350 -0.518 1.00 0.00 C ATOM 1399 NE ARG A 89 1.357 -18.884 -1.161 1.00 0.00 N ATOM 1400 CZ ARG A 89 1.329 -19.722 -2.197 1.00 0.00 C ATOM 1401 NH1 ARG A 89 0.164 -20.075 -2.732 1.00 0.00 N ATOM 1402 NH2 ARG A 89 2.460 -20.192 -2.714 1.00 0.00 N ATOM 0 H ARG A 89 2.093 -13.910 -1.552 1.00 0.00 H new ATOM 0 HA ARG A 89 0.224 -14.402 0.666 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.174 -16.421 -0.499 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.399 -16.589 1.064 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.840 -16.488 -0.122 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.026 -16.526 -1.645 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.140 -18.656 0.528 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.728 -18.782 -0.989 1.00 0.00 H new ATOM 0 HE ARG A 89 2.266 -18.599 -0.796 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.706 -19.705 -2.350 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.140 -20.716 -3.525 1.00 0.00 H new ATOM 0 HH21 ARG A 89 3.357 -19.912 -2.318 1.00 0.00 H new ATOM 0 HH22 ARG A 89 2.431 -20.833 -3.507 1.00 0.00 H new ATOM 1416 N PRO A 90 2.133 -13.949 2.316 1.00 0.00 N ATOM 1417 CA PRO A 90 3.183 -13.483 3.222 1.00 0.00 C ATOM 1418 C PRO A 90 4.234 -14.558 3.485 1.00 0.00 C ATOM 1419 O PRO A 90 3.900 -15.705 3.799 1.00 0.00 O ATOM 1420 CB PRO A 90 2.431 -13.146 4.524 1.00 0.00 C ATOM 1421 CG PRO A 90 0.975 -13.239 4.191 1.00 0.00 C ATOM 1422 CD PRO A 90 0.872 -14.184 3.030 1.00 0.00 C ATOM 0 HA PRO A 90 3.727 -12.637 2.803 1.00 0.00 H new ATOM 0 HB2 PRO A 90 2.695 -13.843 5.319 1.00 0.00 H new ATOM 0 HB3 PRO A 90 2.688 -12.147 4.877 1.00 0.00 H new ATOM 0 HG2 PRO A 90 0.403 -13.606 5.043 1.00 0.00 H new ATOM 0 HG3 PRO A 90 0.571 -12.260 3.933 1.00 0.00 H new ATOM 0 HD2 PRO A 90 0.778 -15.220 3.357 1.00 0.00 H new ATOM 0 HD3 PRO A 90 0.005 -13.967 2.406 1.00 0.00 H new ATOM 1430 N SER A 91 5.499 -14.187 3.349 1.00 0.00 N ATOM 1431 CA SER A 91 6.602 -15.095 3.628 1.00 0.00 C ATOM 1432 C SER A 91 6.912 -15.066 5.122 1.00 0.00 C ATOM 1433 O SER A 91 6.485 -14.150 5.821 1.00 0.00 O ATOM 1434 CB SER A 91 7.831 -14.686 2.804 1.00 0.00 C ATOM 1435 OG SER A 91 8.941 -15.539 3.040 1.00 0.00 O ATOM 0 H SER A 91 5.788 -13.257 3.045 1.00 0.00 H new ATOM 0 HA SER A 91 6.327 -16.112 3.348 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.579 -14.705 1.744 1.00 0.00 H new ATOM 0 HB3 SER A 91 8.105 -13.660 3.048 1.00 0.00 H new ATOM 0 HG SER A 91 9.701 -15.245 2.495 1.00 0.00 H new ATOM 1441 N ALA A 92 7.642 -16.063 5.613 1.00 0.00 N ATOM 1442 CA ALA A 92 7.979 -16.135 7.034 1.00 0.00 C ATOM 1443 C ALA A 92 8.840 -14.946 7.441 1.00 0.00 C ATOM 1444 O ALA A 92 8.598 -14.303 8.462 1.00 0.00 O ATOM 1445 CB ALA A 92 8.694 -17.441 7.348 1.00 0.00 C ATOM 0 H ALA A 92 8.011 -16.830 5.052 1.00 0.00 H new ATOM 0 HA ALA A 92 7.053 -16.102 7.608 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.937 -17.477 8.410 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.046 -18.280 7.096 1.00 0.00 H new ATOM 0 HB3 ALA A 92 9.612 -17.503 6.764 1.00 0.00 H new ATOM 1451 N GLU A 93 9.838 -14.654 6.622 1.00 0.00 N ATOM 1452 CA GLU A 93 10.735 -13.534 6.866 1.00 0.00 C ATOM 1453 C GLU A 93 10.026 -12.212 6.575 1.00 0.00 C ATOM 1454 O GLU A 93 10.225 -11.217 7.270 1.00 0.00 O ATOM 1455 CB GLU A 93 11.972 -13.685 5.983 1.00 0.00 C ATOM 1456 CG GLU A 93 13.064 -12.665 6.243 1.00 0.00 C ATOM 1457 CD GLU A 93 14.276 -12.889 5.363 1.00 0.00 C ATOM 1458 OE1 GLU A 93 14.300 -13.898 4.622 1.00 0.00 O ATOM 1459 OE2 GLU A 93 15.210 -12.062 5.404 1.00 0.00 O ATOM 0 H GLU A 93 10.049 -15.182 5.775 1.00 0.00 H new ATOM 0 HA GLU A 93 11.037 -13.530 7.913 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.385 -14.684 6.127 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.667 -13.613 4.939 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.672 -11.663 6.070 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.363 -12.714 7.290 1.00 0.00 H new ATOM 1466 N ASP A 94 9.180 -12.238 5.552 1.00 0.00 N ATOM 1467 CA ASP A 94 8.435 -11.060 5.102 1.00 0.00 C ATOM 1468 C ASP A 94 7.417 -10.627 6.160 1.00 0.00 C ATOM 1469 O ASP A 94 7.208 -9.437 6.396 1.00 0.00 O ATOM 1470 CB ASP A 94 7.727 -11.405 3.786 1.00 0.00 C ATOM 1471 CG ASP A 94 7.121 -10.209 3.083 1.00 0.00 C ATOM 1472 OD1 ASP A 94 7.868 -9.490 2.386 1.00 0.00 O ATOM 1473 OD2 ASP A 94 5.891 -10.024 3.175 1.00 0.00 O ATOM 0 H ASP A 94 8.988 -13.078 5.007 1.00 0.00 H new ATOM 0 HA ASP A 94 9.123 -10.229 4.946 1.00 0.00 H new ATOM 0 HB2 ASP A 94 8.440 -11.885 3.116 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.941 -12.132 3.988 1.00 0.00 H new ATOM 1478 N LYS A 95 6.818 -11.618 6.814 1.00 0.00 N ATOM 1479 CA LYS A 95 5.802 -11.402 7.845 1.00 0.00 C ATOM 1480 C LYS A 95 6.363 -10.579 9.012 1.00 0.00 C ATOM 1481 O LYS A 95 5.642 -9.804 9.644 1.00 0.00 O ATOM 1482 CB LYS A 95 5.306 -12.777 8.328 1.00 0.00 C ATOM 1483 CG LYS A 95 4.074 -12.766 9.230 1.00 0.00 C ATOM 1484 CD LYS A 95 4.420 -12.449 10.678 1.00 0.00 C ATOM 1485 CE LYS A 95 3.335 -12.933 11.629 1.00 0.00 C ATOM 1486 NZ LYS A 95 3.280 -14.420 11.681 1.00 0.00 N ATOM 0 H LYS A 95 7.024 -12.602 6.644 1.00 0.00 H new ATOM 0 HA LYS A 95 4.971 -10.834 7.428 1.00 0.00 H new ATOM 0 HB2 LYS A 95 5.086 -13.389 7.453 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.119 -13.267 8.863 1.00 0.00 H new ATOM 0 HG2 LYS A 95 3.362 -12.029 8.859 1.00 0.00 H new ATOM 0 HG3 LYS A 95 3.582 -13.737 9.181 1.00 0.00 H new ATOM 0 HD2 LYS A 95 5.369 -12.918 10.938 1.00 0.00 H new ATOM 0 HD3 LYS A 95 4.554 -11.374 10.794 1.00 0.00 H new ATOM 0 HE2 LYS A 95 3.523 -12.539 12.628 1.00 0.00 H new ATOM 0 HE3 LYS A 95 2.369 -12.543 11.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 2.811 -14.720 12.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.745 -14.776 10.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 4.246 -14.804 11.656 1.00 0.00 H new ATOM 1500 N ARG A 96 7.659 -10.732 9.268 1.00 0.00 N ATOM 1501 CA ARG A 96 8.317 -10.088 10.408 1.00 0.00 C ATOM 1502 C ARG A 96 8.316 -8.563 10.278 1.00 0.00 C ATOM 1503 O ARG A 96 8.548 -7.848 11.252 1.00 0.00 O ATOM 1504 CB ARG A 96 9.752 -10.603 10.547 1.00 0.00 C ATOM 1505 CG ARG A 96 9.830 -12.104 10.766 1.00 0.00 C ATOM 1506 CD ARG A 96 11.268 -12.599 10.809 1.00 0.00 C ATOM 1507 NE ARG A 96 11.328 -14.059 10.880 1.00 0.00 N ATOM 1508 CZ ARG A 96 12.438 -14.782 10.732 1.00 0.00 C ATOM 1509 NH1 ARG A 96 13.613 -14.189 10.533 1.00 0.00 N ATOM 1510 NH2 ARG A 96 12.364 -16.104 10.789 1.00 0.00 N ATOM 0 H ARG A 96 8.283 -11.302 8.696 1.00 0.00 H new ATOM 0 HA ARG A 96 7.751 -10.344 11.304 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.313 -10.344 9.649 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.234 -10.095 11.382 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.330 -12.361 11.700 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.294 -12.616 9.966 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.800 -12.254 9.922 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.776 -12.170 11.672 1.00 0.00 H new ATOM 0 HE ARG A 96 10.457 -14.560 11.056 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.670 -13.171 10.493 1.00 0.00 H new ATOM 0 HH12 ARG A 96 14.456 -14.752 10.421 1.00 0.00 H new ATOM 0 HH21 ARG A 96 11.464 -16.558 10.945 1.00 0.00 H new ATOM 0 HH22 ARG A 96 13.207 -16.667 10.677 1.00 0.00 H new ATOM 1524 N LEU A 97 8.060 -8.077 9.069 1.00 0.00 N ATOM 1525 CA LEU A 97 8.089 -6.648 8.782 1.00 0.00 C ATOM 1526 C LEU A 97 6.802 -5.948 9.240 1.00 0.00 C ATOM 1527 O LEU A 97 6.653 -4.735 9.089 1.00 0.00 O ATOM 1528 CB LEU A 97 8.293 -6.445 7.281 1.00 0.00 C ATOM 1529 CG LEU A 97 9.554 -7.098 6.713 1.00 0.00 C ATOM 1530 CD1 LEU A 97 9.544 -7.043 5.197 1.00 0.00 C ATOM 1531 CD2 LEU A 97 10.799 -6.421 7.266 1.00 0.00 C ATOM 0 H LEU A 97 7.828 -8.659 8.264 1.00 0.00 H new ATOM 0 HA LEU A 97 8.915 -6.202 9.337 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.426 -6.842 6.753 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.330 -5.375 7.075 1.00 0.00 H new ATOM 0 HG LEU A 97 9.569 -8.144 7.018 1.00 0.00 H new ATOM 0 HD11 LEU A 97 10.449 -7.512 4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.670 -7.574 4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.506 -6.004 4.871 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.687 -6.898 6.852 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.792 -5.366 6.991 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.811 -6.513 8.352 1.00 0.00 H new ATOM 1543 N ALA A 98 5.873 -6.715 9.800 1.00 0.00 N ATOM 1544 CA ALA A 98 4.621 -6.159 10.296 1.00 0.00 C ATOM 1545 C ALA A 98 4.800 -5.608 11.707 1.00 0.00 C ATOM 1546 O ALA A 98 4.753 -6.345 12.691 1.00 0.00 O ATOM 1547 CB ALA A 98 3.517 -7.204 10.259 1.00 0.00 C ATOM 0 H ALA A 98 5.964 -7.724 9.921 1.00 0.00 H new ATOM 0 HA ALA A 98 4.329 -5.336 9.644 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.591 -6.768 10.634 1.00 0.00 H new ATOM 0 HB2 ALA A 98 3.370 -7.542 9.233 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.798 -8.052 10.884 1.00 0.00 H new ATOM 1553 N PHE A 99 5.038 -4.309 11.791 1.00 0.00 N ATOM 1554 CA PHE A 99 5.255 -3.655 13.078 1.00 0.00 C ATOM 1555 C PHE A 99 3.937 -3.228 13.726 1.00 0.00 C ATOM 1556 O PHE A 99 3.842 -3.147 14.950 1.00 0.00 O ATOM 1557 CB PHE A 99 6.184 -2.449 12.916 1.00 0.00 C ATOM 1558 CG PHE A 99 7.547 -2.816 12.403 1.00 0.00 C ATOM 1559 CD1 PHE A 99 8.449 -3.493 13.210 1.00 0.00 C ATOM 1560 CD2 PHE A 99 7.927 -2.483 11.113 1.00 0.00 C ATOM 1561 CE1 PHE A 99 9.705 -3.831 12.739 1.00 0.00 C ATOM 1562 CE2 PHE A 99 9.181 -2.820 10.637 1.00 0.00 C ATOM 1563 CZ PHE A 99 10.070 -3.495 11.451 1.00 0.00 C ATOM 0 H PHE A 99 5.086 -3.684 10.986 1.00 0.00 H new ATOM 0 HA PHE A 99 5.728 -4.381 13.739 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.726 -1.735 12.232 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.288 -1.947 13.878 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.168 -3.759 14.218 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.237 -1.955 10.472 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.399 -4.357 13.378 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.465 -2.556 9.629 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.049 -3.759 11.080 1.00 0.00 H new ATOM 1573 N ASP A 100 2.927 -2.954 12.907 1.00 0.00 N ATOM 1574 CA ASP A 100 1.606 -2.592 13.418 1.00 0.00 C ATOM 1575 C ASP A 100 0.715 -3.833 13.426 1.00 0.00 C ATOM 1576 O ASP A 100 0.820 -4.674 12.535 1.00 0.00 O ATOM 1577 CB ASP A 100 0.995 -1.472 12.556 1.00 0.00 C ATOM 1578 CG ASP A 100 -0.433 -1.108 12.935 1.00 0.00 C ATOM 1579 OD1 ASP A 100 -1.375 -1.781 12.463 1.00 0.00 O ATOM 1580 OD2 ASP A 100 -0.622 -0.138 13.697 1.00 0.00 O ATOM 0 H ASP A 100 2.995 -2.975 11.890 1.00 0.00 H new ATOM 0 HA ASP A 100 1.692 -2.217 14.438 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.620 -0.583 12.638 1.00 0.00 H new ATOM 0 HB3 ASP A 100 1.015 -1.780 11.511 1.00 0.00 H new ATOM 1585 N PRO A 101 -0.158 -3.969 14.442 1.00 0.00 N ATOM 1586 CA PRO A 101 -0.975 -5.177 14.645 1.00 0.00 C ATOM 1587 C PRO A 101 -2.032 -5.434 13.569 1.00 0.00 C ATOM 1588 O PRO A 101 -2.741 -6.438 13.629 1.00 0.00 O ATOM 1589 CB PRO A 101 -1.648 -4.932 16.000 1.00 0.00 C ATOM 1590 CG PRO A 101 -1.653 -3.453 16.160 1.00 0.00 C ATOM 1591 CD PRO A 101 -0.394 -2.970 15.503 1.00 0.00 C ATOM 0 HA PRO A 101 -0.346 -6.066 14.598 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -2.661 -5.335 16.017 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -1.099 -5.415 16.808 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -2.533 -3.011 15.692 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -1.677 -3.173 17.213 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.514 -1.968 15.092 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.437 -2.928 16.208 1.00 0.00 H new ATOM 1599 N SER A 102 -2.174 -4.533 12.612 1.00 0.00 N ATOM 1600 CA SER A 102 -3.135 -4.740 11.542 1.00 0.00 C ATOM 1601 C SER A 102 -2.612 -4.220 10.207 1.00 0.00 C ATOM 1602 O SER A 102 -2.542 -4.966 9.225 1.00 0.00 O ATOM 1603 CB SER A 102 -4.457 -4.057 11.891 1.00 0.00 C ATOM 1604 OG SER A 102 -4.961 -4.526 13.136 1.00 0.00 O ATOM 0 H SER A 102 -1.645 -3.663 12.553 1.00 0.00 H new ATOM 0 HA SER A 102 -3.296 -5.813 11.439 1.00 0.00 H new ATOM 0 HB2 SER A 102 -4.312 -2.978 11.937 1.00 0.00 H new ATOM 0 HB3 SER A 102 -5.187 -4.247 11.104 1.00 0.00 H new ATOM 0 HG SER A 102 -5.806 -4.073 13.338 1.00 0.00 H new ATOM 1610 N LEU A 103 -2.214 -2.949 10.198 1.00 0.00 N ATOM 1611 CA LEU A 103 -1.874 -2.236 8.971 1.00 0.00 C ATOM 1612 C LEU A 103 -2.940 -2.392 7.886 1.00 0.00 C ATOM 1613 O LEU A 103 -4.078 -2.791 8.136 1.00 0.00 O ATOM 1614 CB LEU A 103 -0.536 -2.721 8.410 1.00 0.00 C ATOM 1615 CG LEU A 103 0.713 -2.187 9.101 1.00 0.00 C ATOM 1616 CD1 LEU A 103 1.955 -2.600 8.329 1.00 0.00 C ATOM 1617 CD2 LEU A 103 0.651 -0.671 9.231 1.00 0.00 C ATOM 0 H LEU A 103 -2.119 -2.385 11.043 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.810 -1.183 9.244 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.517 -3.810 8.460 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.487 -2.450 7.355 1.00 0.00 H new ATOM 0 HG LEU A 103 0.762 -2.614 10.103 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.841 -2.213 8.832 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.010 -3.688 8.283 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.906 -2.196 7.318 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.552 -0.311 9.727 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.579 -0.223 8.240 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.223 -0.392 9.819 1.00 0.00 H new ATOM 1629 N SER A 104 -2.557 -1.993 6.691 1.00 0.00 N ATOM 1630 CA SER A 104 -3.264 -2.333 5.478 1.00 0.00 C ATOM 1631 C SER A 104 -2.216 -2.730 4.450 1.00 0.00 C ATOM 1632 O SER A 104 -1.667 -1.884 3.743 1.00 0.00 O ATOM 1633 CB SER A 104 -4.108 -1.154 4.988 1.00 0.00 C ATOM 1634 OG SER A 104 -4.987 -0.716 6.009 1.00 0.00 O ATOM 0 H SER A 104 -1.732 -1.414 6.535 1.00 0.00 H new ATOM 0 HA SER A 104 -3.957 -3.156 5.651 1.00 0.00 H new ATOM 0 HB2 SER A 104 -3.457 -0.334 4.684 1.00 0.00 H new ATOM 0 HB3 SER A 104 -4.681 -1.449 4.109 1.00 0.00 H new ATOM 0 HG SER A 104 -4.494 -0.162 6.650 1.00 0.00 H new ATOM 1640 N TYR A 105 -1.888 -4.010 4.434 1.00 0.00 N ATOM 1641 CA TYR A 105 -0.749 -4.504 3.679 1.00 0.00 C ATOM 1642 C TYR A 105 -1.202 -5.071 2.341 1.00 0.00 C ATOM 1643 O TYR A 105 -1.618 -6.224 2.253 1.00 0.00 O ATOM 1644 CB TYR A 105 -0.030 -5.576 4.506 1.00 0.00 C ATOM 1645 CG TYR A 105 1.432 -5.774 4.163 1.00 0.00 C ATOM 1646 CD1 TYR A 105 1.819 -6.522 3.060 1.00 0.00 C ATOM 1647 CD2 TYR A 105 2.429 -5.225 4.962 1.00 0.00 C ATOM 1648 CE1 TYR A 105 3.153 -6.718 2.762 1.00 0.00 C ATOM 1649 CE2 TYR A 105 3.768 -5.413 4.669 1.00 0.00 C ATOM 1650 CZ TYR A 105 4.123 -6.160 3.567 1.00 0.00 C ATOM 1651 OH TYR A 105 5.450 -6.359 3.269 1.00 0.00 O ATOM 0 H TYR A 105 -2.400 -4.733 4.940 1.00 0.00 H new ATOM 0 HA TYR A 105 -0.062 -3.683 3.477 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -0.108 -5.313 5.561 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -0.550 -6.525 4.375 1.00 0.00 H new ATOM 0 HD1 TYR A 105 1.064 -6.958 2.423 1.00 0.00 H new ATOM 0 HD2 TYR A 105 2.153 -4.641 5.827 1.00 0.00 H new ATOM 0 HE1 TYR A 105 3.435 -7.306 1.901 1.00 0.00 H new ATOM 0 HE2 TYR A 105 4.529 -4.978 5.299 1.00 0.00 H new ATOM 0 HH TYR A 105 6.007 -5.899 3.932 1.00 0.00 H new ATOM 1661 N LEU A 106 -1.137 -4.256 1.302 1.00 0.00 N ATOM 1662 CA LEU A 106 -1.556 -4.687 -0.023 1.00 0.00 C ATOM 1663 C LEU A 106 -0.410 -5.385 -0.737 1.00 0.00 C ATOM 1664 O LEU A 106 0.676 -4.829 -0.870 1.00 0.00 O ATOM 1665 CB LEU A 106 -2.048 -3.504 -0.868 1.00 0.00 C ATOM 1666 CG LEU A 106 -3.440 -2.961 -0.518 1.00 0.00 C ATOM 1667 CD1 LEU A 106 -3.433 -2.252 0.827 1.00 0.00 C ATOM 1668 CD2 LEU A 106 -3.939 -2.029 -1.613 1.00 0.00 C ATOM 0 H LEU A 106 -0.799 -3.295 1.349 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.384 -5.385 0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -1.328 -2.691 -0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.051 -3.807 -1.915 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.122 -3.808 -0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -4.433 -1.879 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -3.128 -2.951 1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.733 -1.417 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.927 -1.653 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.249 -1.192 -1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -3.998 -2.574 -2.555 1.00 0.00 H new ATOM 1680 N ILE A 107 -0.656 -6.601 -1.192 1.00 0.00 N ATOM 1681 CA ILE A 107 0.355 -7.357 -1.907 1.00 0.00 C ATOM 1682 C ILE A 107 -0.060 -7.539 -3.359 1.00 0.00 C ATOM 1683 O ILE A 107 -1.147 -8.048 -3.650 1.00 0.00 O ATOM 1684 CB ILE A 107 0.608 -8.742 -1.264 1.00 0.00 C ATOM 1685 CG1 ILE A 107 1.110 -8.580 0.175 1.00 0.00 C ATOM 1686 CG2 ILE A 107 1.612 -9.539 -2.084 1.00 0.00 C ATOM 1687 CD1 ILE A 107 1.344 -9.892 0.902 1.00 0.00 C ATOM 0 H ILE A 107 -1.547 -7.085 -1.079 1.00 0.00 H new ATOM 0 HA ILE A 107 1.284 -6.789 -1.854 1.00 0.00 H new ATOM 0 HB ILE A 107 -0.335 -9.288 -1.246 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.041 -8.013 0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.386 -7.990 0.737 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.776 -10.509 -1.615 1.00 0.00 H new ATOM 0 HG22 ILE A 107 1.225 -9.684 -3.092 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.555 -8.995 -2.132 1.00 0.00 H new ATOM 0 HD11 ILE A 107 1.698 -9.690 1.913 1.00 0.00 H new ATOM 0 HD12 ILE A 107 0.411 -10.453 0.950 1.00 0.00 H new ATOM 0 HD13 ILE A 107 2.092 -10.477 0.366 1.00 0.00 H new ATOM 1699 N ILE A 108 0.806 -7.107 -4.262 1.00 0.00 N ATOM 1700 CA ILE A 108 0.551 -7.224 -5.687 1.00 0.00 C ATOM 1701 C ILE A 108 1.390 -8.349 -6.275 1.00 0.00 C ATOM 1702 O ILE A 108 2.618 -8.352 -6.160 1.00 0.00 O ATOM 1703 CB ILE A 108 0.860 -5.906 -6.434 1.00 0.00 C ATOM 1704 CG1 ILE A 108 0.045 -4.755 -5.835 1.00 0.00 C ATOM 1705 CG2 ILE A 108 0.559 -6.057 -7.925 1.00 0.00 C ATOM 1706 CD1 ILE A 108 0.354 -3.408 -6.450 1.00 0.00 C ATOM 0 H ILE A 108 1.698 -6.669 -4.030 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.509 -7.445 -5.815 1.00 0.00 H new ATOM 0 HB ILE A 108 1.920 -5.678 -6.318 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.016 -4.968 -5.962 1.00 0.00 H new ATOM 0 HG13 ILE A 108 0.234 -4.707 -4.763 1.00 0.00 H new ATOM 0 HG21 ILE A 108 0.781 -5.121 -8.438 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.175 -6.854 -8.342 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.494 -6.304 -8.060 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.260 -2.642 -5.976 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.408 -3.172 -6.300 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.138 -3.437 -7.518 1.00 0.00 H new ATOM 1718 N SER A 109 0.720 -9.312 -6.881 1.00 0.00 N ATOM 1719 CA SER A 109 1.394 -10.434 -7.507 1.00 0.00 C ATOM 1720 C SER A 109 1.593 -10.148 -8.991 1.00 0.00 C ATOM 1721 O SER A 109 0.638 -10.185 -9.774 1.00 0.00 O ATOM 1722 CB SER A 109 0.582 -11.721 -7.308 1.00 0.00 C ATOM 1723 OG SER A 109 1.303 -12.860 -7.753 1.00 0.00 O ATOM 0 H SER A 109 -0.297 -9.339 -6.953 1.00 0.00 H new ATOM 0 HA SER A 109 2.370 -10.572 -7.041 1.00 0.00 H new ATOM 0 HB2 SER A 109 0.331 -11.836 -6.253 1.00 0.00 H new ATOM 0 HB3 SER A 109 -0.359 -11.648 -7.853 1.00 0.00 H new ATOM 0 HG SER A 109 0.680 -13.599 -7.915 1.00 0.00 H new ATOM 1729 N LEU A 110 2.828 -9.838 -9.361 1.00 0.00 N ATOM 1730 CA LEU A 110 3.169 -9.527 -10.742 1.00 0.00 C ATOM 1731 C LEU A 110 3.755 -10.762 -11.420 1.00 0.00 C ATOM 1732 O LEU A 110 4.556 -10.659 -12.350 1.00 0.00 O ATOM 1733 CB LEU A 110 4.167 -8.360 -10.783 1.00 0.00 C ATOM 1734 CG LEU A 110 3.744 -7.159 -11.638 1.00 0.00 C ATOM 1735 CD1 LEU A 110 4.732 -6.017 -11.471 1.00 0.00 C ATOM 1736 CD2 LEU A 110 3.632 -7.552 -13.105 1.00 0.00 C ATOM 0 H LEU A 110 3.617 -9.795 -8.716 1.00 0.00 H new ATOM 0 HA LEU A 110 2.268 -9.231 -11.280 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.338 -8.015 -9.763 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.120 -8.733 -11.158 1.00 0.00 H new ATOM 0 HG LEU A 110 2.763 -6.826 -11.298 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.418 -5.172 -12.084 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.764 -5.714 -10.424 1.00 0.00 H new ATOM 0 HD13 LEU A 110 5.723 -6.345 -11.785 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.331 -6.684 -13.692 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.597 -7.913 -13.460 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.887 -8.340 -13.215 1.00 0.00 H new ATOM 1748 N ALA A 111 3.330 -11.933 -10.946 1.00 0.00 N ATOM 1749 CA ALA A 111 3.755 -13.206 -11.522 1.00 0.00 C ATOM 1750 C ALA A 111 3.355 -13.286 -12.992 1.00 0.00 C ATOM 1751 O ALA A 111 3.961 -14.019 -13.777 1.00 0.00 O ATOM 1752 CB ALA A 111 3.150 -14.364 -10.743 1.00 0.00 C ATOM 0 H ALA A 111 2.687 -12.025 -10.159 1.00 0.00 H new ATOM 0 HA ALA A 111 4.841 -13.272 -11.457 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.475 -15.307 -11.183 1.00 0.00 H new ATOM 0 HB2 ALA A 111 3.479 -14.315 -9.705 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.063 -14.300 -10.783 1.00 0.00 H new ATOM 1758 N GLU A 112 2.318 -12.537 -13.353 1.00 0.00 N ATOM 1759 CA GLU A 112 1.917 -12.400 -14.741 1.00 0.00 C ATOM 1760 C GLU A 112 1.900 -10.913 -15.100 1.00 0.00 C ATOM 1761 O GLU A 112 1.443 -10.091 -14.305 1.00 0.00 O ATOM 1762 CB GLU A 112 0.516 -13.003 -14.929 1.00 0.00 C ATOM 1763 CG GLU A 112 0.080 -13.156 -16.376 1.00 0.00 C ATOM 1764 CD GLU A 112 0.729 -14.339 -17.058 1.00 0.00 C ATOM 1765 OE1 GLU A 112 1.946 -14.284 -17.325 1.00 0.00 O ATOM 1766 OE2 GLU A 112 0.022 -15.319 -17.352 1.00 0.00 O ATOM 0 H GLU A 112 1.739 -12.014 -12.696 1.00 0.00 H new ATOM 0 HA GLU A 112 2.617 -12.926 -15.390 1.00 0.00 H new ATOM 0 HB2 GLU A 112 0.489 -13.982 -14.450 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -0.208 -12.375 -14.410 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -1.003 -13.269 -16.415 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.326 -12.246 -16.924 1.00 0.00 H new ATOM 1773 N PRO A 113 2.373 -10.539 -16.300 1.00 0.00 N ATOM 1774 CA PRO A 113 2.364 -9.149 -16.755 1.00 0.00 C ATOM 1775 C PRO A 113 1.022 -8.744 -17.347 1.00 0.00 C ATOM 1776 O PRO A 113 0.677 -7.565 -17.406 1.00 0.00 O ATOM 1777 CB PRO A 113 3.459 -9.106 -17.833 1.00 0.00 C ATOM 1778 CG PRO A 113 4.026 -10.492 -17.914 1.00 0.00 C ATOM 1779 CD PRO A 113 3.021 -11.412 -17.280 1.00 0.00 C ATOM 0 HA PRO A 113 2.537 -8.456 -15.932 1.00 0.00 H new ATOM 0 HB2 PRO A 113 3.047 -8.798 -18.794 1.00 0.00 H new ATOM 0 HB3 PRO A 113 4.233 -8.384 -17.572 1.00 0.00 H new ATOM 0 HG2 PRO A 113 4.208 -10.775 -18.951 1.00 0.00 H new ATOM 0 HG3 PRO A 113 4.983 -10.549 -17.395 1.00 0.00 H new ATOM 0 HD2 PRO A 113 2.311 -11.803 -18.009 1.00 0.00 H new ATOM 0 HD3 PRO A 113 3.497 -12.271 -16.807 1.00 0.00 H new ATOM 1787 N GLN A 114 0.270 -9.738 -17.772 1.00 0.00 N ATOM 1788 CA GLN A 114 -1.018 -9.519 -18.409 1.00 0.00 C ATOM 1789 C GLN A 114 -2.136 -9.482 -17.378 1.00 0.00 C ATOM 1790 O GLN A 114 -3.256 -9.064 -17.675 1.00 0.00 O ATOM 1791 CB GLN A 114 -1.293 -10.637 -19.408 1.00 0.00 C ATOM 1792 CG GLN A 114 -0.313 -10.688 -20.566 1.00 0.00 C ATOM 1793 CD GLN A 114 -0.462 -11.953 -21.382 1.00 0.00 C ATOM 1794 OE1 GLN A 114 -0.825 -13.008 -20.856 1.00 0.00 O ATOM 1795 NE2 GLN A 114 -0.175 -11.867 -22.668 1.00 0.00 N ATOM 0 H GLN A 114 0.531 -10.720 -17.687 1.00 0.00 H new ATOM 0 HA GLN A 114 -0.985 -8.559 -18.923 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -1.269 -11.592 -18.884 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -2.301 -10.516 -19.804 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -0.467 -9.822 -21.209 1.00 0.00 H new ATOM 0 HG3 GLN A 114 0.705 -10.623 -20.182 1.00 0.00 H new ATOM 0 HE21 GLN A 114 0.122 -10.976 -23.066 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -0.250 -12.692 -23.264 1.00 0.00 H new ATOM 1804 N LYS A 115 -1.828 -9.924 -16.167 1.00 0.00 N ATOM 1805 CA LYS A 115 -2.835 -10.045 -15.127 1.00 0.00 C ATOM 1806 C LYS A 115 -2.192 -9.983 -13.743 1.00 0.00 C ATOM 1807 O LYS A 115 -1.854 -11.013 -13.154 1.00 0.00 O ATOM 1808 CB LYS A 115 -3.605 -11.359 -15.311 1.00 0.00 C ATOM 1809 CG LYS A 115 -4.803 -11.524 -14.392 1.00 0.00 C ATOM 1810 CD LYS A 115 -5.554 -12.802 -14.723 1.00 0.00 C ATOM 1811 CE LYS A 115 -6.751 -13.011 -13.812 1.00 0.00 C ATOM 1812 NZ LYS A 115 -7.507 -14.242 -14.170 1.00 0.00 N ATOM 0 H LYS A 115 -0.889 -10.204 -15.882 1.00 0.00 H new ATOM 0 HA LYS A 115 -3.532 -9.211 -15.207 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -3.945 -11.424 -16.345 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -2.921 -12.192 -15.148 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -4.472 -11.548 -13.354 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -5.469 -10.667 -14.495 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -5.889 -12.767 -15.760 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -4.878 -13.653 -14.635 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -6.414 -13.079 -12.778 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -7.412 -12.147 -13.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -8.317 -14.352 -13.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -7.850 -14.166 -15.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -6.883 -15.070 -14.085 1.00 0.00 H new ATOM 1826 N PRO A 116 -1.968 -8.766 -13.231 1.00 0.00 N ATOM 1827 CA PRO A 116 -1.420 -8.553 -11.896 1.00 0.00 C ATOM 1828 C PRO A 116 -2.494 -8.718 -10.829 1.00 0.00 C ATOM 1829 O PRO A 116 -3.492 -7.997 -10.828 1.00 0.00 O ATOM 1830 CB PRO A 116 -0.916 -7.098 -11.928 1.00 0.00 C ATOM 1831 CG PRO A 116 -1.156 -6.607 -13.324 1.00 0.00 C ATOM 1832 CD PRO A 116 -2.216 -7.494 -13.909 1.00 0.00 C ATOM 0 HA PRO A 116 -0.637 -9.270 -11.651 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -1.449 -6.485 -11.202 1.00 0.00 H new ATOM 0 HB3 PRO A 116 0.142 -7.046 -11.673 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -1.480 -5.566 -13.319 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -0.241 -6.654 -13.915 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.219 -7.116 -13.709 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -2.119 -7.584 -14.991 1.00 0.00 H new ATOM 1840 N VAL A 117 -2.304 -9.676 -9.934 1.00 0.00 N ATOM 1841 CA VAL A 117 -3.279 -9.921 -8.883 1.00 0.00 C ATOM 1842 C VAL A 117 -3.023 -8.989 -7.709 1.00 0.00 C ATOM 1843 O VAL A 117 -1.935 -8.982 -7.139 1.00 0.00 O ATOM 1844 CB VAL A 117 -3.233 -11.386 -8.394 1.00 0.00 C ATOM 1845 CG1 VAL A 117 -4.257 -11.632 -7.293 1.00 0.00 C ATOM 1846 CG2 VAL A 117 -3.454 -12.347 -9.558 1.00 0.00 C ATOM 0 H VAL A 117 -1.491 -10.291 -9.914 1.00 0.00 H new ATOM 0 HA VAL A 117 -4.268 -9.731 -9.300 1.00 0.00 H new ATOM 0 HB VAL A 117 -2.243 -11.569 -7.977 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -4.201 -12.671 -6.969 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.047 -10.977 -6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -5.257 -11.424 -7.673 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -3.418 -13.374 -9.194 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -4.428 -12.155 -10.008 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -2.674 -12.199 -10.305 1.00 0.00 H new ATOM 1856 N CYS A 118 -4.028 -8.206 -7.355 1.00 0.00 N ATOM 1857 CA CYS A 118 -3.907 -7.256 -6.262 1.00 0.00 C ATOM 1858 C CYS A 118 -4.836 -7.623 -5.110 1.00 0.00 C ATOM 1859 O CYS A 118 -6.054 -7.682 -5.281 1.00 0.00 O ATOM 1860 CB CYS A 118 -4.219 -5.843 -6.760 1.00 0.00 C ATOM 1861 SG CYS A 118 -5.809 -5.695 -7.615 1.00 0.00 S ATOM 0 H CYS A 118 -4.941 -8.210 -7.811 1.00 0.00 H new ATOM 0 HA CYS A 118 -2.882 -7.289 -5.894 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -4.210 -5.160 -5.911 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -3.425 -5.523 -7.435 1.00 0.00 H new ATOM 0 HG CYS A 118 -6.689 -6.451 -7.029 1.00 0.00 H new ATOM 1867 N LYS A 119 -4.259 -7.883 -3.945 1.00 0.00 N ATOM 1868 CA LYS A 119 -5.046 -8.123 -2.744 1.00 0.00 C ATOM 1869 C LYS A 119 -4.573 -7.237 -1.610 1.00 0.00 C ATOM 1870 O LYS A 119 -3.493 -6.647 -1.669 1.00 0.00 O ATOM 1871 CB LYS A 119 -4.964 -9.578 -2.283 1.00 0.00 C ATOM 1872 CG LYS A 119 -5.764 -10.564 -3.117 1.00 0.00 C ATOM 1873 CD LYS A 119 -5.676 -11.964 -2.525 1.00 0.00 C ATOM 1874 CE LYS A 119 -6.650 -12.927 -3.180 1.00 0.00 C ATOM 1875 NZ LYS A 119 -8.068 -12.586 -2.886 1.00 0.00 N ATOM 0 H LYS A 119 -3.250 -7.933 -3.806 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.080 -7.892 -3.001 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.918 -9.886 -2.288 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.308 -9.636 -1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.806 -10.248 -3.163 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.388 -10.572 -4.140 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.660 -12.342 -2.641 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.878 -11.917 -1.455 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -6.494 -12.920 -4.259 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -6.443 -13.940 -2.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -8.686 -13.351 -3.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -8.191 -12.468 -1.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -8.319 -11.700 -3.369 1.00 0.00 H new ATOM 1889 N SER A 120 -5.388 -7.164 -0.583 1.00 0.00 N ATOM 1890 CA SER A 120 -5.052 -6.432 0.621 1.00 0.00 C ATOM 1891 C SER A 120 -5.061 -7.401 1.788 1.00 0.00 C ATOM 1892 O SER A 120 -5.977 -8.210 1.914 1.00 0.00 O ATOM 1893 CB SER A 120 -6.053 -5.294 0.852 1.00 0.00 C ATOM 1894 OG SER A 120 -5.690 -4.505 1.973 1.00 0.00 O ATOM 0 H SER A 120 -6.305 -7.611 -0.557 1.00 0.00 H new ATOM 0 HA SER A 120 -4.062 -5.986 0.522 1.00 0.00 H new ATOM 0 HB2 SER A 120 -6.102 -4.665 -0.037 1.00 0.00 H new ATOM 0 HB3 SER A 120 -7.049 -5.709 1.005 1.00 0.00 H new ATOM 0 HG SER A 120 -6.346 -3.787 2.094 1.00 0.00 H new ATOM 1900 N PHE A 121 -4.035 -7.358 2.613 1.00 0.00 N ATOM 1901 CA PHE A 121 -3.922 -8.302 3.707 1.00 0.00 C ATOM 1902 C PHE A 121 -3.806 -7.594 5.046 1.00 0.00 C ATOM 1903 O PHE A 121 -3.015 -6.667 5.216 1.00 0.00 O ATOM 1904 CB PHE A 121 -2.718 -9.222 3.505 1.00 0.00 C ATOM 1905 CG PHE A 121 -2.817 -10.090 2.286 1.00 0.00 C ATOM 1906 CD1 PHE A 121 -3.453 -11.320 2.346 1.00 0.00 C ATOM 1907 CD2 PHE A 121 -2.273 -9.679 1.080 1.00 0.00 C ATOM 1908 CE1 PHE A 121 -3.544 -12.124 1.227 1.00 0.00 C ATOM 1909 CE2 PHE A 121 -2.360 -10.479 -0.042 1.00 0.00 C ATOM 1910 CZ PHE A 121 -2.996 -11.703 0.032 1.00 0.00 C ATOM 0 H PHE A 121 -3.272 -6.684 2.548 1.00 0.00 H new ATOM 0 HA PHE A 121 -4.833 -8.900 3.713 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -1.816 -8.614 3.434 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -2.606 -9.857 4.384 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -3.883 -11.654 3.279 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -1.775 -8.723 1.017 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -4.043 -13.080 1.287 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -1.931 -10.148 -0.976 1.00 0.00 H new ATOM 0 HZ PHE A 121 -3.064 -12.330 -0.845 1.00 0.00 H new ATOM 1920 N LEU A 122 -4.620 -8.035 5.983 1.00 0.00 N ATOM 1921 CA LEU A 122 -4.508 -7.613 7.363 1.00 0.00 C ATOM 1922 C LEU A 122 -3.634 -8.612 8.101 1.00 0.00 C ATOM 1923 O LEU A 122 -4.042 -9.757 8.321 1.00 0.00 O ATOM 1924 CB LEU A 122 -5.894 -7.546 8.018 1.00 0.00 C ATOM 1925 CG LEU A 122 -6.871 -6.552 7.386 1.00 0.00 C ATOM 1926 CD1 LEU A 122 -8.219 -6.603 8.093 1.00 0.00 C ATOM 1927 CD2 LEU A 122 -6.302 -5.142 7.421 1.00 0.00 C ATOM 0 H LEU A 122 -5.377 -8.696 5.809 1.00 0.00 H new ATOM 0 HA LEU A 122 -4.063 -6.619 7.408 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -6.341 -8.540 7.985 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.768 -7.287 9.069 1.00 0.00 H new ATOM 0 HG LEU A 122 -7.019 -6.835 6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -8.900 -5.889 7.630 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -8.635 -7.607 8.011 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -8.088 -6.349 9.145 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -7.013 -4.452 6.967 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -6.121 -4.848 8.455 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.364 -5.114 6.866 1.00 0.00 H new ATOM 1939 N ILE A 123 -2.432 -8.195 8.458 1.00 0.00 N ATOM 1940 CA ILE A 123 -1.490 -9.089 9.108 1.00 0.00 C ATOM 1941 C ILE A 123 -1.742 -9.104 10.604 1.00 0.00 C ATOM 1942 O ILE A 123 -1.522 -8.113 11.298 1.00 0.00 O ATOM 1943 CB ILE A 123 -0.025 -8.694 8.830 1.00 0.00 C ATOM 1944 CG1 ILE A 123 0.239 -8.651 7.321 1.00 0.00 C ATOM 1945 CG2 ILE A 123 0.921 -9.678 9.512 1.00 0.00 C ATOM 1946 CD1 ILE A 123 1.660 -8.271 6.963 1.00 0.00 C ATOM 0 H ILE A 123 -2.086 -7.247 8.310 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.646 -10.085 8.694 1.00 0.00 H new ATOM 0 HB ILE A 123 0.154 -7.699 9.237 1.00 0.00 H new ATOM 0 HG12 ILE A 123 0.015 -9.628 6.894 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -0.445 -7.938 6.861 1.00 0.00 H new ATOM 0 HG21 ILE A 123 1.953 -9.391 9.310 1.00 0.00 H new ATOM 0 HG22 ILE A 123 0.745 -9.666 10.588 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.742 -10.682 9.126 1.00 0.00 H new ATOM 0 HD11 ILE A 123 1.772 -8.261 5.879 1.00 0.00 H new ATOM 0 HD12 ILE A 123 1.883 -7.280 7.360 1.00 0.00 H new ATOM 0 HD13 ILE A 123 2.350 -8.997 7.392 1.00 0.00 H new ATOM 1958 N LYS A 124 -2.226 -10.232 11.086 1.00 0.00 N ATOM 1959 CA LYS A 124 -2.600 -10.369 12.477 1.00 0.00 C ATOM 1960 C LYS A 124 -1.710 -11.392 13.166 1.00 0.00 C ATOM 1961 O LYS A 124 -0.789 -11.938 12.557 1.00 0.00 O ATOM 1962 CB LYS A 124 -4.073 -10.770 12.572 1.00 0.00 C ATOM 1963 CG LYS A 124 -5.009 -9.709 12.010 1.00 0.00 C ATOM 1964 CD LYS A 124 -6.420 -10.231 11.817 1.00 0.00 C ATOM 1965 CE LYS A 124 -7.322 -9.149 11.243 1.00 0.00 C ATOM 1966 NZ LYS A 124 -8.688 -9.654 10.946 1.00 0.00 N ATOM 0 H LYS A 124 -2.370 -11.073 10.527 1.00 0.00 H new ATOM 0 HA LYS A 124 -2.464 -9.414 12.984 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.226 -11.705 12.034 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -4.328 -10.957 13.615 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -5.030 -8.852 12.684 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.621 -9.354 11.055 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -6.406 -11.092 11.148 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -6.819 -10.575 12.771 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -7.388 -8.322 11.949 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -6.876 -8.754 10.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -8.851 -9.631 9.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -8.779 -10.631 11.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -9.391 -9.053 11.422 1.00 0.00 H new ATOM 1980 N LYS A 125 -1.991 -11.648 14.432 1.00 0.00 N ATOM 1981 CA LYS A 125 -1.176 -12.550 15.235 1.00 0.00 C ATOM 1982 C LYS A 125 -1.312 -13.988 14.763 1.00 0.00 C ATOM 1983 O LYS A 125 -0.349 -14.606 14.311 1.00 0.00 O ATOM 1984 CB LYS A 125 -1.592 -12.463 16.702 1.00 0.00 C ATOM 1985 CG LYS A 125 -0.704 -13.271 17.635 1.00 0.00 C ATOM 1986 CD LYS A 125 -1.153 -13.156 19.081 1.00 0.00 C ATOM 1987 CE LYS A 125 -0.289 -14.006 19.997 1.00 0.00 C ATOM 1988 NZ LYS A 125 -0.623 -13.795 21.428 1.00 0.00 N ATOM 0 H LYS A 125 -2.783 -11.242 14.931 1.00 0.00 H new ATOM 0 HA LYS A 125 -0.136 -12.245 15.123 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.577 -11.419 17.014 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -2.620 -12.811 16.801 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -0.717 -14.318 17.333 1.00 0.00 H new ATOM 0 HG3 LYS A 125 0.326 -12.926 17.546 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.106 -12.114 19.397 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -2.194 -13.468 19.167 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -0.420 -15.058 19.745 1.00 0.00 H new ATOM 0 HE3 LYS A 125 0.761 -13.766 19.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -0.011 -14.393 22.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -0.474 -12.796 21.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -1.618 -14.048 21.593 1.00 0.00 H new ATOM 2002 N ASP A 126 -2.524 -14.496 14.847 1.00 0.00 N ATOM 2003 CA ASP A 126 -2.780 -15.914 14.624 1.00 0.00 C ATOM 2004 C ASP A 126 -3.056 -16.221 13.156 1.00 0.00 C ATOM 2005 O ASP A 126 -3.503 -17.320 12.822 1.00 0.00 O ATOM 2006 CB ASP A 126 -3.957 -16.381 15.481 1.00 0.00 C ATOM 2007 CG ASP A 126 -3.694 -16.239 16.967 1.00 0.00 C ATOM 2008 OD1 ASP A 126 -3.042 -17.134 17.555 1.00 0.00 O ATOM 2009 OD2 ASP A 126 -4.132 -15.231 17.561 1.00 0.00 O ATOM 0 H ASP A 126 -3.356 -13.949 15.069 1.00 0.00 H new ATOM 0 HA ASP A 126 -1.879 -16.455 14.914 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -4.844 -15.805 15.217 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -4.175 -17.424 15.253 1.00 0.00 H new ATOM 2014 N GLY A 127 -2.799 -15.260 12.281 1.00 0.00 N ATOM 2015 CA GLY A 127 -2.971 -15.497 10.861 1.00 0.00 C ATOM 2016 C GLY A 127 -3.155 -14.216 10.080 1.00 0.00 C ATOM 2017 O GLY A 127 -2.969 -13.123 10.614 1.00 0.00 O ATOM 0 H GLY A 127 -2.476 -14.324 12.526 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -2.102 -16.032 10.477 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -3.836 -16.141 10.705 1.00 0.00 H new ATOM 2021 N VAL A 128 -3.524 -14.352 8.817 1.00 0.00 N ATOM 2022 CA VAL A 128 -3.732 -13.206 7.950 1.00 0.00 C ATOM 2023 C VAL A 128 -5.167 -13.189 7.422 1.00 0.00 C ATOM 2024 O VAL A 128 -5.756 -14.240 7.153 1.00 0.00 O ATOM 2025 CB VAL A 128 -2.723 -13.204 6.775 1.00 0.00 C ATOM 2026 CG1 VAL A 128 -2.909 -14.424 5.880 1.00 0.00 C ATOM 2027 CG2 VAL A 128 -2.831 -11.921 5.968 1.00 0.00 C ATOM 0 H VAL A 128 -3.687 -15.253 8.367 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.565 -12.304 8.539 1.00 0.00 H new ATOM 0 HB VAL A 128 -1.721 -13.255 7.201 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -2.185 -14.391 5.066 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -2.756 -15.331 6.465 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -3.918 -14.423 5.469 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.112 -11.945 5.149 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.839 -11.829 5.563 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -2.620 -11.067 6.612 1.00 0.00 H new ATOM 2037 N ASP A 129 -5.729 -11.995 7.302 1.00 0.00 N ATOM 2038 CA ASP A 129 -7.097 -11.828 6.824 1.00 0.00 C ATOM 2039 C ASP A 129 -7.122 -10.845 5.662 1.00 0.00 C ATOM 2040 O ASP A 129 -6.629 -9.730 5.785 1.00 0.00 O ATOM 2041 CB ASP A 129 -7.988 -11.319 7.959 1.00 0.00 C ATOM 2042 CG ASP A 129 -9.430 -11.123 7.536 1.00 0.00 C ATOM 2043 OD1 ASP A 129 -9.975 -11.989 6.820 1.00 0.00 O ATOM 2044 OD2 ASP A 129 -10.031 -10.109 7.938 1.00 0.00 O ATOM 0 H ASP A 129 -5.256 -11.121 7.531 1.00 0.00 H new ATOM 0 HA ASP A 129 -7.475 -12.792 6.483 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -7.951 -12.026 8.788 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -7.592 -10.373 8.329 1.00 0.00 H new ATOM 2049 N GLU A 130 -7.678 -11.256 4.535 1.00 0.00 N ATOM 2050 CA GLU A 130 -7.662 -10.424 3.348 1.00 0.00 C ATOM 2051 C GLU A 130 -8.778 -9.380 3.372 1.00 0.00 C ATOM 2052 O GLU A 130 -9.900 -9.646 3.807 1.00 0.00 O ATOM 2053 CB GLU A 130 -7.752 -11.292 2.092 1.00 0.00 C ATOM 2054 CG GLU A 130 -9.040 -12.093 1.969 1.00 0.00 C ATOM 2055 CD GLU A 130 -9.058 -12.993 0.748 1.00 0.00 C ATOM 2056 OE1 GLU A 130 -9.121 -12.472 -0.388 1.00 0.00 O ATOM 2057 OE2 GLU A 130 -9.029 -14.231 0.919 1.00 0.00 O ATOM 0 H GLU A 130 -8.143 -12.156 4.419 1.00 0.00 H new ATOM 0 HA GLU A 130 -6.716 -9.882 3.332 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -7.652 -10.652 1.215 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.908 -11.981 2.081 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -9.172 -12.700 2.864 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -9.886 -11.407 1.922 1.00 0.00 H new ATOM 2064 N GLU A 131 -8.441 -8.187 2.913 1.00 0.00 N ATOM 2065 CA GLU A 131 -9.382 -7.084 2.822 1.00 0.00 C ATOM 2066 C GLU A 131 -9.790 -6.885 1.370 1.00 0.00 C ATOM 2067 O GLU A 131 -8.935 -6.769 0.490 1.00 0.00 O ATOM 2068 CB GLU A 131 -8.735 -5.809 3.371 1.00 0.00 C ATOM 2069 CG GLU A 131 -9.567 -4.550 3.182 1.00 0.00 C ATOM 2070 CD GLU A 131 -10.822 -4.525 4.024 1.00 0.00 C ATOM 2071 OE1 GLU A 131 -11.722 -5.348 3.788 1.00 0.00 O ATOM 2072 OE2 GLU A 131 -10.931 -3.643 4.902 1.00 0.00 O ATOM 0 H GLU A 131 -7.501 -7.955 2.591 1.00 0.00 H new ATOM 0 HA GLU A 131 -10.270 -7.310 3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -8.540 -5.944 4.435 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -7.769 -5.668 2.885 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -8.957 -3.681 3.427 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -9.842 -4.460 2.131 1.00 0.00 H new ATOM 2079 N GLU A 132 -11.087 -6.857 1.121 1.00 0.00 N ATOM 2080 CA GLU A 132 -11.600 -6.714 -0.228 1.00 0.00 C ATOM 2081 C GLU A 132 -11.324 -5.318 -0.775 1.00 0.00 C ATOM 2082 O GLU A 132 -11.477 -4.317 -0.070 1.00 0.00 O ATOM 2083 CB GLU A 132 -13.099 -7.015 -0.271 1.00 0.00 C ATOM 2084 CG GLU A 132 -13.934 -6.184 0.691 1.00 0.00 C ATOM 2085 CD GLU A 132 -14.091 -6.824 2.060 1.00 0.00 C ATOM 2086 OE1 GLU A 132 -13.307 -7.736 2.397 1.00 0.00 O ATOM 2087 OE2 GLU A 132 -15.014 -6.423 2.802 1.00 0.00 O ATOM 0 H GLU A 132 -11.807 -6.932 1.840 1.00 0.00 H new ATOM 0 HA GLU A 132 -11.082 -7.436 -0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -13.462 -6.848 -1.285 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -13.252 -8.071 -0.047 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -13.473 -5.203 0.807 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -14.921 -6.023 0.258 1.00 0.00 H new ATOM 2094 N ILE A 133 -10.930 -5.263 -2.040 1.00 0.00 N ATOM 2095 CA ILE A 133 -10.545 -4.012 -2.678 1.00 0.00 C ATOM 2096 C ILE A 133 -11.599 -3.572 -3.680 1.00 0.00 C ATOM 2097 O ILE A 133 -11.899 -4.286 -4.639 1.00 0.00 O ATOM 2098 CB ILE A 133 -9.186 -4.137 -3.406 1.00 0.00 C ATOM 2099 CG1 ILE A 133 -8.097 -4.610 -2.437 1.00 0.00 C ATOM 2100 CG2 ILE A 133 -8.795 -2.804 -4.041 1.00 0.00 C ATOM 2101 CD1 ILE A 133 -6.736 -4.786 -3.081 1.00 0.00 C ATOM 0 H ILE A 133 -10.868 -6.079 -2.649 1.00 0.00 H new ATOM 0 HA ILE A 133 -10.454 -3.268 -1.887 1.00 0.00 H new ATOM 0 HB ILE A 133 -9.287 -4.880 -4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -8.012 -3.891 -1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -8.404 -5.558 -1.995 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -7.836 -2.910 -4.549 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -9.557 -2.507 -4.762 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -8.712 -2.042 -3.266 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -6.020 -5.122 -2.331 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -6.803 -5.528 -3.877 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -6.405 -3.835 -3.498 1.00 0.00 H new ATOM 2113 N ILE A 134 -12.165 -2.398 -3.447 1.00 0.00 N ATOM 2114 CA ILE A 134 -13.147 -1.831 -4.353 1.00 0.00 C ATOM 2115 C ILE A 134 -12.552 -0.626 -5.076 1.00 0.00 C ATOM 2116 O ILE A 134 -11.988 0.275 -4.447 1.00 0.00 O ATOM 2117 CB ILE A 134 -14.456 -1.427 -3.616 1.00 0.00 C ATOM 2118 CG1 ILE A 134 -15.337 -2.654 -3.333 1.00 0.00 C ATOM 2119 CG2 ILE A 134 -15.245 -0.400 -4.420 1.00 0.00 C ATOM 2120 CD1 ILE A 134 -14.742 -3.640 -2.355 1.00 0.00 C ATOM 0 H ILE A 134 -11.959 -1.818 -2.634 1.00 0.00 H new ATOM 0 HA ILE A 134 -13.409 -2.599 -5.081 1.00 0.00 H new ATOM 0 HB ILE A 134 -14.166 -0.980 -2.665 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -16.298 -2.314 -2.948 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -15.535 -3.168 -4.273 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -16.155 -0.136 -3.880 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -14.637 0.493 -4.565 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -15.508 -0.821 -5.390 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -15.430 -4.473 -2.214 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -13.795 -4.013 -2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -14.571 -3.146 -1.399 1.00 0.00 H new ATOM 2132 N LEU A 135 -12.661 -0.635 -6.399 1.00 0.00 N ATOM 2133 CA LEU A 135 -12.146 0.444 -7.228 1.00 0.00 C ATOM 2134 C LEU A 135 -13.220 1.498 -7.447 1.00 0.00 C ATOM 2135 O LEU A 135 -14.387 1.173 -7.669 1.00 0.00 O ATOM 2136 CB LEU A 135 -11.684 -0.097 -8.588 1.00 0.00 C ATOM 2137 CG LEU A 135 -10.590 -1.164 -8.541 1.00 0.00 C ATOM 2138 CD1 LEU A 135 -10.310 -1.698 -9.938 1.00 0.00 C ATOM 2139 CD2 LEU A 135 -9.319 -0.600 -7.930 1.00 0.00 C ATOM 0 H LEU A 135 -13.107 -1.387 -6.924 1.00 0.00 H new ATOM 0 HA LEU A 135 -11.297 0.893 -6.713 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -12.549 -0.512 -9.106 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -11.325 0.739 -9.188 1.00 0.00 H new ATOM 0 HG LEU A 135 -10.939 -1.986 -7.916 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -9.529 -2.457 -9.888 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -11.219 -2.139 -10.348 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -9.982 -0.881 -10.581 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -8.552 -1.374 -7.905 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -8.968 0.239 -8.531 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -9.523 -0.259 -6.915 1.00 0.00 H new ATOM 2151 N LYS A 136 -12.829 2.758 -7.371 1.00 0.00 N ATOM 2152 CA LYS A 136 -13.741 3.855 -7.644 1.00 0.00 C ATOM 2153 C LYS A 136 -13.195 4.752 -8.742 1.00 0.00 C ATOM 2154 O LYS A 136 -11.979 4.883 -8.910 1.00 0.00 O ATOM 2155 CB LYS A 136 -14.018 4.672 -6.378 1.00 0.00 C ATOM 2156 CG LYS A 136 -14.972 3.984 -5.413 1.00 0.00 C ATOM 2157 CD LYS A 136 -16.301 3.659 -6.084 1.00 0.00 C ATOM 2158 CE LYS A 136 -17.016 4.918 -6.553 1.00 0.00 C ATOM 2159 NZ LYS A 136 -18.188 4.607 -7.413 1.00 0.00 N ATOM 0 H LYS A 136 -11.883 3.047 -7.122 1.00 0.00 H new ATOM 0 HA LYS A 136 -14.683 3.425 -7.985 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -13.075 4.868 -5.867 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -14.434 5.639 -6.662 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -14.517 3.066 -5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -15.146 4.627 -4.550 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -16.128 3.000 -6.935 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -16.939 3.117 -5.386 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -17.345 5.492 -5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -16.318 5.547 -7.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -18.847 5.411 -7.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -17.867 4.431 -8.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -18.671 3.761 -7.049 1.00 0.00 H new ATOM 2173 N GLU A 137 -14.103 5.356 -9.495 1.00 0.00 N ATOM 2174 CA GLU A 137 -13.741 6.228 -10.602 1.00 0.00 C ATOM 2175 C GLU A 137 -13.080 7.501 -10.106 1.00 0.00 C ATOM 2176 O GLU A 137 -12.249 8.106 -10.783 1.00 0.00 O ATOM 2177 CB GLU A 137 -14.995 6.609 -11.383 1.00 0.00 C ATOM 2178 CG GLU A 137 -15.889 5.435 -11.759 1.00 0.00 C ATOM 2179 CD GLU A 137 -16.903 5.108 -10.677 1.00 0.00 C ATOM 2180 OE1 GLU A 137 -16.587 4.307 -9.770 1.00 0.00 O ATOM 2181 OE2 GLU A 137 -18.017 5.664 -10.720 1.00 0.00 O ATOM 0 H GLU A 137 -15.108 5.256 -9.356 1.00 0.00 H new ATOM 0 HA GLU A 137 -13.040 5.688 -11.238 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -15.576 7.316 -10.790 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -14.696 7.127 -12.294 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -16.413 5.664 -12.687 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -15.271 4.558 -11.950 1.00 0.00 H new ATOM 2188 N GLU A 138 -13.461 7.879 -8.914 1.00 0.00 N ATOM 2189 CA GLU A 138 -12.947 9.075 -8.266 1.00 0.00 C ATOM 2190 C GLU A 138 -13.118 8.955 -6.752 1.00 0.00 C ATOM 2191 O GLU A 138 -13.941 8.164 -6.284 1.00 0.00 O ATOM 2192 CB GLU A 138 -13.690 10.308 -8.796 1.00 0.00 C ATOM 2193 CG GLU A 138 -13.180 11.626 -8.240 1.00 0.00 C ATOM 2194 CD GLU A 138 -13.927 12.816 -8.795 1.00 0.00 C ATOM 2195 OE1 GLU A 138 -15.071 13.057 -8.357 1.00 0.00 O ATOM 2196 OE2 GLU A 138 -13.369 13.515 -9.667 1.00 0.00 O ATOM 0 H GLU A 138 -14.142 7.367 -8.354 1.00 0.00 H new ATOM 0 HA GLU A 138 -11.886 9.184 -8.489 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -13.609 10.329 -9.883 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -14.749 10.211 -8.558 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -13.271 11.618 -7.154 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -12.119 11.727 -8.470 1.00 0.00 H new ATOM 2203 N LEU A 139 -12.335 9.720 -5.998 1.00 0.00 N ATOM 2204 CA LEU A 139 -12.408 9.705 -4.541 1.00 0.00 C ATOM 2205 C LEU A 139 -13.734 10.270 -4.054 1.00 0.00 C ATOM 2206 O LEU A 139 -14.242 11.250 -4.601 1.00 0.00 O ATOM 2207 CB LEU A 139 -11.258 10.517 -3.940 1.00 0.00 C ATOM 2208 CG LEU A 139 -9.870 9.895 -4.090 1.00 0.00 C ATOM 2209 CD1 LEU A 139 -8.797 10.897 -3.697 1.00 0.00 C ATOM 2210 CD2 LEU A 139 -9.763 8.638 -3.241 1.00 0.00 C ATOM 0 H LEU A 139 -11.638 10.362 -6.375 1.00 0.00 H new ATOM 0 HA LEU A 139 -12.328 8.668 -4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -11.249 11.502 -4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -11.458 10.668 -2.879 1.00 0.00 H new ATOM 0 HG LEU A 139 -9.720 9.622 -5.134 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -7.814 10.440 -3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -8.865 11.774 -4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -8.942 11.197 -2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -8.770 8.204 -3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -9.929 8.891 -2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -10.514 7.916 -3.563 1.00 0.00 H new