USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 682 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 35 HIS : no HD1:sc= -0.92 K(o=-1.6,f=-0.86) USER MOD Set 1.2: B 199 CYS SG : rot 180:sc= -0.67 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= 1.87 (180deg=0.722) USER MOD Single : A 25 LYS NZ :NH3+ -162:sc= 1.01 (180deg=0.794) USER MOD Single : A 29 GLN : amide:sc= -0.473 K(o=-0.47,f=-1.2) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -0.11 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 164:sc= -0.142 (180deg=-0.624) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -160:sc= -0.507 USER MOD Single : A 43 HIS : no HD1:sc= -0.353 X(o=-0.35,f=-0.35) USER MOD Single : A 45 LYS NZ :NH3+ -175:sc= 1.17 (180deg=1.06) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -178:sc= 1.2 (180deg=1.1) USER MOD Single : A 50 SER OG : rot 81:sc= 1.28 USER MOD Single : A 51 TYR OH : rot 30:sc= 0 USER MOD Single : A 52 CYS SG : rot 45:sc= -0.326 USER MOD Single : A 53 GLN : amide:sc= -0.0257 K(o=-0.026,f=-1.4!) USER MOD Single : A 55 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.7) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.211 K(o=0.21,f=-0.59) USER MOD Single : A 61 SER OG : rot -113:sc= 1.31 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 74 ASN : amide:sc=-0.00316 X(o=-0.0032,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0.627 K(o=0.63,f=-7.1!) USER MOD Single : A 76 THR OG1 : rot 61:sc= 1.19 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -143:sc= 0 (180deg=-0.251) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 1.17 K(o=1.2,f=-0.00079) USER MOD Single : A 94 GLN : amide:sc= -0.16 K(o=-0.16,f=-1.3!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0484 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 13.680 -7.059 -0.112 1.00 10.00 N ATOM 2 CA TYR A 21 12.336 -6.618 -0.466 1.00 10.00 C ATOM 3 C TYR A 21 11.395 -6.772 0.720 1.00 10.00 C ATOM 4 O TYR A 21 11.447 -7.773 1.436 1.00 10.00 O ATOM 5 CB TYR A 21 11.795 -7.424 -1.653 1.00 10.00 C ATOM 6 CG TYR A 21 12.398 -7.044 -2.987 1.00 10.00 C ATOM 7 CD1 TYR A 21 11.686 -6.271 -3.896 1.00 10.00 C ATOM 8 CD2 TYR A 21 13.674 -7.461 -3.342 1.00 10.00 C ATOM 9 CE1 TYR A 21 12.230 -5.929 -5.120 1.00 10.00 C ATOM 10 CE2 TYR A 21 14.224 -7.120 -4.562 1.00 10.00 C ATOM 11 CZ TYR A 21 13.499 -6.355 -5.446 1.00 10.00 C ATOM 12 OH TYR A 21 14.045 -6.018 -6.663 1.00 10.00 O ATOM 0 HA TYR A 21 12.392 -5.566 -0.747 1.00 10.00 H new ATOM 0 HB2 TYR A 21 11.979 -8.483 -1.472 1.00 10.00 H new ATOM 0 HB3 TYR A 21 10.714 -7.292 -1.705 1.00 10.00 H new ATOM 0 HD1 TYR A 21 10.692 -5.932 -3.642 1.00 10.00 H new ATOM 0 HD2 TYR A 21 14.247 -8.063 -2.652 1.00 10.00 H new ATOM 0 HE1 TYR A 21 11.663 -5.331 -5.818 1.00 10.00 H new ATOM 0 HE2 TYR A 21 15.218 -7.452 -4.821 1.00 10.00 H new ATOM 0 HH TYR A 21 14.946 -6.397 -6.733 1.00 10.00 H new ATOM 22 N ILE A 22 10.551 -5.779 0.930 1.00 10.00 N ATOM 23 CA ILE A 22 9.585 -5.816 2.018 1.00 10.00 C ATOM 24 C ILE A 22 8.222 -6.198 1.460 1.00 10.00 C ATOM 25 O ILE A 22 7.624 -5.442 0.696 1.00 10.00 O ATOM 26 CB ILE A 22 9.481 -4.458 2.749 1.00 10.00 C ATOM 27 CG1 ILE A 22 10.861 -3.987 3.225 1.00 10.00 C ATOM 28 CG2 ILE A 22 8.517 -4.556 3.927 1.00 10.00 C ATOM 29 CD1 ILE A 22 11.516 -4.916 4.228 1.00 10.00 C ATOM 0 H ILE A 22 10.513 -4.933 0.361 1.00 10.00 H new ATOM 0 HA ILE A 22 9.924 -6.555 2.744 1.00 10.00 H new ATOM 0 HB ILE A 22 9.094 -3.723 2.044 1.00 10.00 H new ATOM 0 HG12 ILE A 22 11.516 -3.882 2.360 1.00 10.00 H new ATOM 0 HG13 ILE A 22 10.762 -2.998 3.672 1.00 10.00 H new ATOM 0 HG21 ILE A 22 8.457 -3.590 4.429 1.00 10.00 H new ATOM 0 HG22 ILE A 22 7.528 -4.839 3.566 1.00 10.00 H new ATOM 0 HG23 ILE A 22 8.876 -5.308 4.629 1.00 10.00 H new ATOM 0 HD11 ILE A 22 12.488 -4.514 4.516 1.00 10.00 H new ATOM 0 HD12 ILE A 22 10.883 -5.002 5.111 1.00 10.00 H new ATOM 0 HD13 ILE A 22 11.649 -5.900 3.779 1.00 10.00 H new ATOM 41 N LYS A 23 7.742 -7.375 1.824 1.00 10.00 N ATOM 42 CA LYS A 23 6.460 -7.849 1.330 1.00 10.00 C ATOM 43 C LYS A 23 5.354 -7.607 2.351 1.00 10.00 C ATOM 44 O LYS A 23 5.237 -8.324 3.352 1.00 10.00 O ATOM 45 CB LYS A 23 6.548 -9.333 0.981 1.00 10.00 C ATOM 46 CG LYS A 23 5.306 -9.871 0.295 1.00 10.00 C ATOM 47 CD LYS A 23 5.145 -11.362 0.539 1.00 10.00 C ATOM 48 CE LYS A 23 4.333 -11.641 1.795 1.00 10.00 C ATOM 49 NZ LYS A 23 5.008 -11.169 3.034 1.00 10.00 N ATOM 0 H LYS A 23 8.218 -8.018 2.457 1.00 10.00 H new ATOM 0 HA LYS A 23 6.213 -7.287 0.429 1.00 10.00 H new ATOM 0 HB2 LYS A 23 7.409 -9.495 0.333 1.00 10.00 H new ATOM 0 HB3 LYS A 23 6.724 -9.902 1.894 1.00 10.00 H new ATOM 0 HG2 LYS A 23 4.427 -9.343 0.663 1.00 10.00 H new ATOM 0 HG3 LYS A 23 5.368 -9.680 -0.776 1.00 10.00 H new ATOM 0 HD2 LYS A 23 4.656 -11.821 -0.320 1.00 10.00 H new ATOM 0 HD3 LYS A 23 6.128 -11.824 0.631 1.00 10.00 H new ATOM 0 HE2 LYS A 23 3.361 -11.156 1.709 1.00 10.00 H new ATOM 0 HE3 LYS A 23 4.149 -12.713 1.873 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 4.551 -11.599 3.864 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 6.011 -11.444 3.010 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 4.935 -10.133 3.096 1.00 10.00 H new ATOM 63 N LEU A 24 4.544 -6.598 2.085 1.00 10.00 N ATOM 64 CA LEU A 24 3.440 -6.238 2.961 1.00 10.00 C ATOM 65 C LEU A 24 2.175 -6.962 2.527 1.00 10.00 C ATOM 66 O LEU A 24 1.974 -7.213 1.335 1.00 10.00 O ATOM 67 CB LEU A 24 3.220 -4.724 2.932 1.00 10.00 C ATOM 68 CG LEU A 24 4.484 -3.887 3.137 1.00 10.00 C ATOM 69 CD1 LEU A 24 4.395 -2.590 2.351 1.00 10.00 C ATOM 70 CD2 LEU A 24 4.703 -3.602 4.614 1.00 10.00 C ATOM 0 H LEU A 24 4.631 -6.006 1.259 1.00 10.00 H new ATOM 0 HA LEU A 24 3.684 -6.537 3.980 1.00 10.00 H new ATOM 0 HB2 LEU A 24 2.774 -4.454 1.975 1.00 10.00 H new ATOM 0 HB3 LEU A 24 2.498 -4.461 3.705 1.00 10.00 H new ATOM 0 HG LEU A 24 5.337 -4.456 2.768 1.00 10.00 H new ATOM 0 HD11 LEU A 24 5.302 -2.006 2.508 1.00 10.00 H new ATOM 0 HD12 LEU A 24 4.287 -2.814 1.290 1.00 10.00 H new ATOM 0 HD13 LEU A 24 3.532 -2.017 2.691 1.00 10.00 H new ATOM 0 HD21 LEU A 24 5.607 -3.006 4.739 1.00 10.00 H new ATOM 0 HD22 LEU A 24 3.848 -3.053 5.009 1.00 10.00 H new ATOM 0 HD23 LEU A 24 4.811 -4.543 5.154 1.00 10.00 H new ATOM 82 N LYS A 25 1.333 -7.311 3.487 1.00 10.00 N ATOM 83 CA LYS A 25 0.094 -8.014 3.193 1.00 10.00 C ATOM 84 C LYS A 25 -1.084 -7.052 3.201 1.00 10.00 C ATOM 85 O LYS A 25 -1.466 -6.533 4.252 1.00 10.00 O ATOM 86 CB LYS A 25 -0.144 -9.130 4.213 1.00 10.00 C ATOM 87 CG LYS A 25 1.088 -9.974 4.491 1.00 10.00 C ATOM 88 CD LYS A 25 0.764 -11.156 5.390 1.00 10.00 C ATOM 89 CE LYS A 25 0.300 -12.361 4.587 1.00 10.00 C ATOM 90 NZ LYS A 25 0.434 -13.622 5.362 1.00 10.00 N ATOM 0 H LYS A 25 1.485 -7.119 4.477 1.00 10.00 H new ATOM 0 HA LYS A 25 0.183 -8.454 2.200 1.00 10.00 H new ATOM 0 HB2 LYS A 25 -0.490 -8.689 5.148 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -0.943 -9.777 3.851 1.00 10.00 H new ATOM 0 HG2 LYS A 25 1.503 -10.335 3.550 1.00 10.00 H new ATOM 0 HG3 LYS A 25 1.854 -9.357 4.961 1.00 10.00 H new ATOM 0 HD2 LYS A 25 1.646 -11.424 5.972 1.00 10.00 H new ATOM 0 HD3 LYS A 25 -0.012 -10.871 6.101 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -0.740 -12.224 4.293 1.00 10.00 H new ATOM 0 HE3 LYS A 25 0.884 -12.434 3.669 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 0.407 -14.433 4.712 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 1.339 -13.620 5.875 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -0.349 -13.696 6.042 1.00 10.00 H new ATOM 104 N VAL A 26 -1.642 -6.802 2.027 1.00 10.00 N ATOM 105 CA VAL A 26 -2.784 -5.907 1.904 1.00 10.00 C ATOM 106 C VAL A 26 -4.073 -6.699 2.042 1.00 10.00 C ATOM 107 O VAL A 26 -4.451 -7.453 1.141 1.00 10.00 O ATOM 108 CB VAL A 26 -2.795 -5.152 0.558 1.00 10.00 C ATOM 109 CG1 VAL A 26 -3.744 -3.965 0.623 1.00 10.00 C ATOM 110 CG2 VAL A 26 -1.394 -4.699 0.176 1.00 10.00 C ATOM 0 H VAL A 26 -1.324 -7.205 1.146 1.00 10.00 H new ATOM 0 HA VAL A 26 -2.702 -5.168 2.701 1.00 10.00 H new ATOM 0 HB VAL A 26 -3.149 -5.836 -0.213 1.00 10.00 H new ATOM 0 HG11 VAL A 26 -3.740 -3.443 -0.334 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -4.752 -4.317 0.840 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -3.420 -3.283 1.409 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.430 -4.170 -0.776 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.004 -4.034 0.946 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -0.743 -5.568 0.084 1.00 10.00 H new ATOM 120 N ILE A 27 -4.733 -6.533 3.176 1.00 10.00 N ATOM 121 CA ILE A 27 -5.972 -7.241 3.455 1.00 10.00 C ATOM 122 C ILE A 27 -7.165 -6.479 2.898 1.00 10.00 C ATOM 123 O ILE A 27 -7.373 -5.307 3.218 1.00 10.00 O ATOM 124 CB ILE A 27 -6.170 -7.461 4.971 1.00 10.00 C ATOM 125 CG1 ILE A 27 -4.931 -8.118 5.590 1.00 10.00 C ATOM 126 CG2 ILE A 27 -7.410 -8.309 5.234 1.00 10.00 C ATOM 127 CD1 ILE A 27 -4.616 -9.491 5.032 1.00 10.00 C ATOM 0 H ILE A 27 -4.429 -5.909 3.924 1.00 10.00 H new ATOM 0 HA ILE A 27 -5.903 -8.214 2.968 1.00 10.00 H new ATOM 0 HB ILE A 27 -6.313 -6.487 5.440 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -4.071 -7.467 5.433 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -5.076 -8.200 6.667 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -7.532 -8.452 6.308 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -8.288 -7.803 4.834 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -7.297 -9.279 4.749 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -3.726 -9.887 5.521 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -5.458 -10.159 5.213 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -4.437 -9.416 3.959 1.00 10.00 H new ATOM 139 N GLY A 28 -7.931 -7.147 2.052 1.00 10.00 N ATOM 140 CA GLY A 28 -9.103 -6.533 1.465 1.00 10.00 C ATOM 141 C GLY A 28 -10.361 -6.870 2.236 1.00 10.00 C ATOM 142 O GLY A 28 -10.326 -7.678 3.168 1.00 10.00 O ATOM 0 H GLY A 28 -7.761 -8.109 1.759 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -8.972 -5.451 1.439 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -9.209 -6.866 0.433 1.00 10.00 H new ATOM 146 N GLN A 29 -11.474 -6.265 1.842 1.00 10.00 N ATOM 147 CA GLN A 29 -12.750 -6.503 2.505 1.00 10.00 C ATOM 148 C GLN A 29 -13.220 -7.940 2.289 1.00 10.00 C ATOM 149 O GLN A 29 -13.796 -8.555 3.188 1.00 10.00 O ATOM 150 CB GLN A 29 -13.808 -5.520 2.001 1.00 10.00 C ATOM 151 CG GLN A 29 -15.116 -5.584 2.775 1.00 10.00 C ATOM 152 CD GLN A 29 -14.936 -5.293 4.252 1.00 10.00 C ATOM 153 OE1 GLN A 29 -15.033 -4.148 4.686 1.00 10.00 O ATOM 154 NE2 GLN A 29 -14.672 -6.329 5.034 1.00 10.00 N ATOM 0 H GLN A 29 -11.519 -5.605 1.066 1.00 10.00 H new ATOM 0 HA GLN A 29 -12.607 -6.347 3.574 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -13.409 -4.507 2.061 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -14.008 -5.722 0.949 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -15.820 -4.868 2.351 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -15.557 -6.574 2.655 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -14.600 -7.265 4.634 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -14.541 -6.191 6.036 1.00 10.00 H new ATOM 163 N ASP A 30 -12.957 -8.482 1.106 1.00 10.00 N ATOM 164 CA ASP A 30 -13.366 -9.850 0.793 1.00 10.00 C ATOM 165 C ASP A 30 -12.314 -10.859 1.249 1.00 10.00 C ATOM 166 O ASP A 30 -12.254 -11.977 0.741 1.00 10.00 O ATOM 167 CB ASP A 30 -13.662 -10.017 -0.704 1.00 10.00 C ATOM 168 CG ASP A 30 -12.466 -9.742 -1.591 1.00 10.00 C ATOM 169 OD1 ASP A 30 -12.284 -8.578 -2.003 1.00 10.00 O ATOM 170 OD2 ASP A 30 -11.704 -10.677 -1.890 1.00 10.00 O ATOM 0 H ASP A 30 -12.466 -8.002 0.352 1.00 10.00 H new ATOM 0 HA ASP A 30 -14.287 -10.048 1.342 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -14.013 -11.033 -0.886 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -14.473 -9.345 -0.983 1.00 10.00 H new ATOM 175 N SER A 31 -11.492 -10.445 2.215 1.00 10.00 N ATOM 176 CA SER A 31 -10.447 -11.293 2.791 1.00 10.00 C ATOM 177 C SER A 31 -9.346 -11.638 1.785 1.00 10.00 C ATOM 178 O SER A 31 -8.634 -12.631 1.949 1.00 10.00 O ATOM 179 CB SER A 31 -11.068 -12.570 3.370 1.00 10.00 C ATOM 180 OG SER A 31 -12.178 -12.259 4.199 1.00 10.00 O ATOM 0 H SER A 31 -11.532 -9.510 2.621 1.00 10.00 H new ATOM 0 HA SER A 31 -9.972 -10.724 3.591 1.00 10.00 H new ATOM 0 HB2 SER A 31 -11.386 -13.225 2.559 1.00 10.00 H new ATOM 0 HB3 SER A 31 -10.320 -13.115 3.945 1.00 10.00 H new ATOM 0 HG SER A 31 -12.561 -13.087 4.557 1.00 10.00 H new ATOM 186 N SER A 32 -9.200 -10.818 0.751 1.00 10.00 N ATOM 187 CA SER A 32 -8.169 -11.035 -0.252 1.00 10.00 C ATOM 188 C SER A 32 -6.819 -10.576 0.282 1.00 10.00 C ATOM 189 O SER A 32 -6.707 -9.488 0.853 1.00 10.00 O ATOM 190 CB SER A 32 -8.516 -10.273 -1.529 1.00 10.00 C ATOM 191 OG SER A 32 -9.508 -9.293 -1.273 1.00 10.00 O ATOM 0 H SER A 32 -9.783 -9.997 0.587 1.00 10.00 H new ATOM 0 HA SER A 32 -8.114 -12.099 -0.481 1.00 10.00 H new ATOM 0 HB2 SER A 32 -7.621 -9.796 -1.929 1.00 10.00 H new ATOM 0 HB3 SER A 32 -8.872 -10.969 -2.288 1.00 10.00 H new ATOM 0 HG SER A 32 -9.717 -8.814 -2.102 1.00 10.00 H new ATOM 197 N GLU A 33 -5.806 -11.410 0.120 1.00 10.00 N ATOM 198 CA GLU A 33 -4.472 -11.075 0.589 1.00 10.00 C ATOM 199 C GLU A 33 -3.553 -10.757 -0.577 1.00 10.00 C ATOM 200 O GLU A 33 -3.163 -11.645 -1.338 1.00 10.00 O ATOM 201 CB GLU A 33 -3.896 -12.217 1.423 1.00 10.00 C ATOM 202 CG GLU A 33 -4.558 -12.361 2.781 1.00 10.00 C ATOM 203 CD GLU A 33 -4.077 -13.577 3.536 1.00 10.00 C ATOM 204 OE1 GLU A 33 -3.052 -13.485 4.236 1.00 10.00 O ATOM 205 OE2 GLU A 33 -4.728 -14.637 3.431 1.00 10.00 O ATOM 0 H GLU A 33 -5.881 -12.322 -0.331 1.00 10.00 H new ATOM 0 HA GLU A 33 -4.546 -10.188 1.217 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -4.005 -13.151 0.872 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -2.828 -12.053 1.563 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -4.360 -11.468 3.374 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -5.638 -12.423 2.650 1.00 10.00 H new ATOM 212 N ILE A 34 -3.227 -9.484 -0.728 1.00 10.00 N ATOM 213 CA ILE A 34 -2.349 -9.045 -1.800 1.00 10.00 C ATOM 214 C ILE A 34 -0.920 -8.942 -1.285 1.00 10.00 C ATOM 215 O ILE A 34 -0.668 -8.319 -0.254 1.00 10.00 O ATOM 216 CB ILE A 34 -2.780 -7.679 -2.380 1.00 10.00 C ATOM 217 CG1 ILE A 34 -4.302 -7.623 -2.570 1.00 10.00 C ATOM 218 CG2 ILE A 34 -2.067 -7.413 -3.700 1.00 10.00 C ATOM 219 CD1 ILE A 34 -4.833 -8.598 -3.603 1.00 10.00 C ATOM 0 H ILE A 34 -3.558 -8.735 -0.120 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.412 -9.785 -2.598 1.00 10.00 H new ATOM 0 HB ILE A 34 -2.497 -6.902 -1.670 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -4.784 -7.825 -1.614 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -4.584 -6.611 -2.862 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -2.382 -6.447 -4.095 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -0.989 -7.405 -3.536 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -2.319 -8.197 -4.414 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -5.916 -8.496 -3.677 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -4.381 -8.384 -4.571 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -4.585 -9.616 -3.304 1.00 10.00 H new ATOM 231 N HIS A 35 0.002 -9.576 -1.986 1.00 10.00 N ATOM 232 CA HIS A 35 1.405 -9.562 -1.606 1.00 10.00 C ATOM 233 C HIS A 35 2.136 -8.440 -2.333 1.00 10.00 C ATOM 234 O HIS A 35 2.582 -8.609 -3.470 1.00 10.00 O ATOM 235 CB HIS A 35 2.063 -10.910 -1.930 1.00 10.00 C ATOM 236 CG HIS A 35 1.382 -12.096 -1.308 1.00 10.00 C ATOM 237 ND1 HIS A 35 0.264 -12.664 -1.876 1.00 10.00 N ATOM 238 CD2 HIS A 35 1.697 -12.777 -0.180 1.00 10.00 C ATOM 239 CE1 HIS A 35 -0.072 -13.670 -1.085 1.00 10.00 C ATOM 240 NE2 HIS A 35 0.766 -13.772 -0.047 1.00 10.00 N ATOM 0 H HIS A 35 -0.197 -10.113 -2.830 1.00 10.00 H new ATOM 0 HA HIS A 35 1.469 -9.390 -0.532 1.00 10.00 H new ATOM 0 HB2 HIS A 35 2.080 -11.042 -3.012 1.00 10.00 H new ATOM 0 HB3 HIS A 35 3.100 -10.885 -1.595 1.00 10.00 H new ATOM 0 HD2 HIS A 35 2.523 -12.574 0.486 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -0.914 -14.324 -1.255 1.00 10.00 H new ATOM 0 HE2 HIS A 35 0.720 -14.462 0.703 1.00 10.00 H new ATOM 248 N PHE A 36 2.244 -7.289 -1.689 1.00 10.00 N ATOM 249 CA PHE A 36 2.921 -6.153 -2.288 1.00 10.00 C ATOM 250 C PHE A 36 4.364 -6.088 -1.805 1.00 10.00 C ATOM 251 O PHE A 36 4.626 -5.828 -0.629 1.00 10.00 O ATOM 252 CB PHE A 36 2.188 -4.845 -1.965 1.00 10.00 C ATOM 253 CG PHE A 36 2.203 -3.848 -3.090 1.00 10.00 C ATOM 254 CD1 PHE A 36 3.354 -3.629 -3.832 1.00 10.00 C ATOM 255 CD2 PHE A 36 1.056 -3.138 -3.417 1.00 10.00 C ATOM 256 CE1 PHE A 36 3.363 -2.721 -4.872 1.00 10.00 C ATOM 257 CE2 PHE A 36 1.062 -2.228 -4.456 1.00 10.00 C ATOM 258 CZ PHE A 36 2.215 -2.021 -5.186 1.00 10.00 C ATOM 0 H PHE A 36 1.872 -7.118 -0.755 1.00 10.00 H new ATOM 0 HA PHE A 36 2.917 -6.283 -3.370 1.00 10.00 H new ATOM 0 HB2 PHE A 36 1.154 -5.073 -1.708 1.00 10.00 H new ATOM 0 HB3 PHE A 36 2.643 -4.392 -1.084 1.00 10.00 H new ATOM 0 HD1 PHE A 36 4.254 -4.175 -3.593 1.00 10.00 H new ATOM 0 HD2 PHE A 36 0.149 -3.299 -2.853 1.00 10.00 H new ATOM 0 HE1 PHE A 36 4.267 -2.558 -5.440 1.00 10.00 H new ATOM 0 HE2 PHE A 36 0.164 -1.678 -4.697 1.00 10.00 H new ATOM 0 HZ PHE A 36 2.219 -1.313 -6.001 1.00 10.00 H new ATOM 268 N LYS A 37 5.293 -6.344 -2.713 1.00 10.00 N ATOM 269 CA LYS A 37 6.710 -6.316 -2.387 1.00 10.00 C ATOM 270 C LYS A 37 7.310 -4.981 -2.807 1.00 10.00 C ATOM 271 O LYS A 37 7.378 -4.661 -3.996 1.00 10.00 O ATOM 272 CB LYS A 37 7.450 -7.487 -3.050 1.00 10.00 C ATOM 273 CG LYS A 37 6.862 -7.915 -4.387 1.00 10.00 C ATOM 274 CD LYS A 37 7.382 -9.276 -4.821 1.00 10.00 C ATOM 275 CE LYS A 37 8.841 -9.213 -5.239 1.00 10.00 C ATOM 276 NZ LYS A 37 9.386 -10.563 -5.539 1.00 10.00 N ATOM 0 H LYS A 37 5.090 -6.574 -3.686 1.00 10.00 H new ATOM 0 HA LYS A 37 6.824 -6.426 -1.309 1.00 10.00 H new ATOM 0 HB2 LYS A 37 8.493 -7.207 -3.197 1.00 10.00 H new ATOM 0 HB3 LYS A 37 7.441 -8.340 -2.371 1.00 10.00 H new ATOM 0 HG2 LYS A 37 5.775 -7.948 -4.313 1.00 10.00 H new ATOM 0 HG3 LYS A 37 7.107 -7.173 -5.147 1.00 10.00 H new ATOM 0 HD2 LYS A 37 7.268 -9.987 -4.003 1.00 10.00 H new ATOM 0 HD3 LYS A 37 6.781 -9.647 -5.651 1.00 10.00 H new ATOM 0 HE2 LYS A 37 8.940 -8.577 -6.118 1.00 10.00 H new ATOM 0 HE3 LYS A 37 9.428 -8.752 -4.444 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 10.384 -10.480 -5.821 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 9.314 -11.162 -4.692 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 8.842 -10.993 -6.314 1.00 10.00 H new ATOM 290 N VAL A 38 7.726 -4.201 -1.823 1.00 10.00 N ATOM 291 CA VAL A 38 8.295 -2.889 -2.077 1.00 10.00 C ATOM 292 C VAL A 38 9.767 -2.827 -1.683 1.00 10.00 C ATOM 293 O VAL A 38 10.302 -3.762 -1.079 1.00 10.00 O ATOM 294 CB VAL A 38 7.524 -1.791 -1.309 1.00 10.00 C ATOM 295 CG1 VAL A 38 6.039 -1.853 -1.633 1.00 10.00 C ATOM 296 CG2 VAL A 38 7.748 -1.915 0.194 1.00 10.00 C ATOM 0 H VAL A 38 7.680 -4.456 -0.836 1.00 10.00 H new ATOM 0 HA VAL A 38 8.209 -2.713 -3.149 1.00 10.00 H new ATOM 0 HB VAL A 38 7.908 -0.823 -1.630 1.00 10.00 H new ATOM 0 HG11 VAL A 38 5.514 -1.072 -1.083 1.00 10.00 H new ATOM 0 HG12 VAL A 38 5.893 -1.704 -2.703 1.00 10.00 H new ATOM 0 HG13 VAL A 38 5.644 -2.828 -1.346 1.00 10.00 H new ATOM 0 HG21 VAL A 38 7.194 -1.131 0.710 1.00 10.00 H new ATOM 0 HG22 VAL A 38 7.399 -2.890 0.535 1.00 10.00 H new ATOM 0 HG23 VAL A 38 8.811 -1.813 0.413 1.00 10.00 H new ATOM 306 N LYS A 39 10.408 -1.720 -2.032 1.00 10.00 N ATOM 307 CA LYS A 39 11.810 -1.502 -1.710 1.00 10.00 C ATOM 308 C LYS A 39 11.945 -0.325 -0.752 1.00 10.00 C ATOM 309 O LYS A 39 10.944 0.211 -0.275 1.00 10.00 O ATOM 310 CB LYS A 39 12.620 -1.246 -2.983 1.00 10.00 C ATOM 311 CG LYS A 39 13.140 -2.513 -3.641 1.00 10.00 C ATOM 312 CD LYS A 39 13.788 -2.226 -4.989 1.00 10.00 C ATOM 313 CE LYS A 39 15.044 -1.377 -4.855 1.00 10.00 C ATOM 314 NZ LYS A 39 15.560 -0.937 -6.178 1.00 10.00 N ATOM 0 H LYS A 39 9.973 -0.952 -2.543 1.00 10.00 H new ATOM 0 HA LYS A 39 12.202 -2.398 -1.229 1.00 10.00 H new ATOM 0 HB2 LYS A 39 11.998 -0.706 -3.696 1.00 10.00 H new ATOM 0 HB3 LYS A 39 13.464 -0.599 -2.742 1.00 10.00 H new ATOM 0 HG2 LYS A 39 13.866 -2.992 -2.984 1.00 10.00 H new ATOM 0 HG3 LYS A 39 12.318 -3.216 -3.775 1.00 10.00 H new ATOM 0 HD2 LYS A 39 14.039 -3.168 -5.477 1.00 10.00 H new ATOM 0 HD3 LYS A 39 13.072 -1.714 -5.632 1.00 10.00 H new ATOM 0 HE2 LYS A 39 14.827 -0.503 -4.241 1.00 10.00 H new ATOM 0 HE3 LYS A 39 15.814 -1.948 -4.337 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 16.416 -0.362 -6.043 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 15.791 -1.771 -6.755 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 14.835 -0.371 -6.663 1.00 10.00 H new ATOM 328 N MET A 40 13.176 0.081 -0.478 1.00 10.00 N ATOM 329 CA MET A 40 13.422 1.191 0.433 1.00 10.00 C ATOM 330 C MET A 40 13.617 2.500 -0.331 1.00 10.00 C ATOM 331 O MET A 40 13.331 3.580 0.190 1.00 10.00 O ATOM 332 CB MET A 40 14.647 0.894 1.301 1.00 10.00 C ATOM 333 CG MET A 40 14.612 1.560 2.669 1.00 10.00 C ATOM 334 SD MET A 40 13.166 1.096 3.647 1.00 10.00 S ATOM 335 CE MET A 40 13.258 -0.693 3.579 1.00 10.00 C ATOM 0 H MET A 40 14.018 -0.339 -0.871 1.00 10.00 H new ATOM 0 HA MET A 40 12.549 1.305 1.075 1.00 10.00 H new ATOM 0 HB2 MET A 40 14.732 -0.184 1.435 1.00 10.00 H new ATOM 0 HB3 MET A 40 15.542 1.221 0.772 1.00 10.00 H new ATOM 0 HG2 MET A 40 15.515 1.295 3.219 1.00 10.00 H new ATOM 0 HG3 MET A 40 14.624 2.642 2.540 1.00 10.00 H new ATOM 0 HE1 MET A 40 12.619 -1.120 4.352 1.00 10.00 H new ATOM 0 HE2 MET A 40 12.923 -1.038 2.601 1.00 10.00 H new ATOM 0 HE3 MET A 40 14.288 -1.011 3.743 1.00 10.00 H new ATOM 345 N THR A 41 14.096 2.399 -1.571 1.00 10.00 N ATOM 346 CA THR A 41 14.324 3.572 -2.413 1.00 10.00 C ATOM 347 C THR A 41 12.998 4.147 -2.894 1.00 10.00 C ATOM 348 O THR A 41 12.869 5.348 -3.147 1.00 10.00 O ATOM 349 CB THR A 41 15.198 3.226 -3.650 1.00 10.00 C ATOM 350 OG1 THR A 41 15.731 4.424 -4.227 1.00 10.00 O ATOM 351 CG2 THR A 41 14.401 2.459 -4.713 1.00 10.00 C ATOM 0 H THR A 41 14.334 1.512 -2.016 1.00 10.00 H new ATOM 0 HA THR A 41 14.851 4.307 -1.805 1.00 10.00 H new ATOM 0 HB THR A 41 16.011 2.586 -3.307 1.00 10.00 H new ATOM 0 HG1 THR A 41 16.282 4.196 -5.005 1.00 10.00 H new ATOM 0 HG21 THR A 41 15.047 2.236 -5.562 1.00 10.00 H new ATOM 0 HG22 THR A 41 14.028 1.528 -4.286 1.00 10.00 H new ATOM 0 HG23 THR A 41 13.561 3.068 -5.047 1.00 10.00 H new ATOM 359 N THR A 42 12.015 3.273 -2.986 1.00 10.00 N ATOM 360 CA THR A 42 10.703 3.634 -3.463 1.00 10.00 C ATOM 361 C THR A 42 9.899 4.387 -2.412 1.00 10.00 C ATOM 362 O THR A 42 9.792 3.958 -1.260 1.00 10.00 O ATOM 363 CB THR A 42 9.943 2.364 -3.864 1.00 10.00 C ATOM 364 OG1 THR A 42 10.875 1.288 -4.025 1.00 10.00 O ATOM 365 CG2 THR A 42 9.193 2.575 -5.159 1.00 10.00 C ATOM 0 H THR A 42 12.108 2.290 -2.730 1.00 10.00 H new ATOM 0 HA THR A 42 10.832 4.294 -4.321 1.00 10.00 H new ATOM 0 HB THR A 42 9.224 2.124 -3.081 1.00 10.00 H new ATOM 0 HG1 THR A 42 10.469 0.583 -4.572 1.00 10.00 H new ATOM 0 HG21 THR A 42 8.661 1.661 -5.424 1.00 10.00 H new ATOM 0 HG22 THR A 42 8.478 3.389 -5.037 1.00 10.00 H new ATOM 0 HG23 THR A 42 9.898 2.827 -5.951 1.00 10.00 H new ATOM 373 N HIS A 43 9.343 5.510 -2.819 1.00 10.00 N ATOM 374 CA HIS A 43 8.516 6.318 -1.941 1.00 10.00 C ATOM 375 C HIS A 43 7.079 5.816 -2.025 1.00 10.00 C ATOM 376 O HIS A 43 6.647 5.327 -3.072 1.00 10.00 O ATOM 377 CB HIS A 43 8.598 7.806 -2.314 1.00 10.00 C ATOM 378 CG HIS A 43 9.016 8.066 -3.734 1.00 10.00 C ATOM 379 ND1 HIS A 43 8.140 7.907 -4.780 1.00 10.00 N ATOM 380 CD2 HIS A 43 10.225 8.445 -4.223 1.00 10.00 C ATOM 381 CE1 HIS A 43 8.830 8.187 -5.872 1.00 10.00 C ATOM 382 NE2 HIS A 43 10.092 8.520 -5.582 1.00 10.00 N ATOM 0 H HIS A 43 9.449 5.888 -3.760 1.00 10.00 H new ATOM 0 HA HIS A 43 8.878 6.224 -0.917 1.00 10.00 H new ATOM 0 HB2 HIS A 43 7.624 8.265 -2.145 1.00 10.00 H new ATOM 0 HB3 HIS A 43 9.303 8.298 -1.644 1.00 10.00 H new ATOM 0 HD2 HIS A 43 11.118 8.648 -3.650 1.00 10.00 H new ATOM 0 HE1 HIS A 43 8.425 8.151 -6.873 1.00 10.00 H new ATOM 0 HE2 HIS A 43 10.819 8.781 -6.249 1.00 10.00 H new ATOM 390 N LEU A 44 6.333 5.947 -0.937 1.00 10.00 N ATOM 391 CA LEU A 44 4.953 5.469 -0.899 1.00 10.00 C ATOM 392 C LEU A 44 4.026 6.305 -1.781 1.00 10.00 C ATOM 393 O LEU A 44 2.845 5.983 -1.928 1.00 10.00 O ATOM 394 CB LEU A 44 4.436 5.436 0.539 1.00 10.00 C ATOM 395 CG LEU A 44 5.155 4.451 1.467 1.00 10.00 C ATOM 396 CD1 LEU A 44 4.440 4.370 2.802 1.00 10.00 C ATOM 397 CD2 LEU A 44 5.248 3.072 0.830 1.00 10.00 C ATOM 0 H LEU A 44 6.656 6.378 -0.071 1.00 10.00 H new ATOM 0 HA LEU A 44 4.953 4.456 -1.300 1.00 10.00 H new ATOM 0 HB2 LEU A 44 4.521 6.437 0.962 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.375 5.186 0.521 1.00 10.00 H new ATOM 0 HG LEU A 44 6.169 4.816 1.633 1.00 10.00 H new ATOM 0 HD11 LEU A 44 4.961 3.667 3.452 1.00 10.00 H new ATOM 0 HD12 LEU A 44 4.428 5.355 3.269 1.00 10.00 H new ATOM 0 HD13 LEU A 44 3.416 4.030 2.646 1.00 10.00 H new ATOM 0 HD21 LEU A 44 5.762 2.392 1.509 1.00 10.00 H new ATOM 0 HD22 LEU A 44 4.245 2.695 0.630 1.00 10.00 H new ATOM 0 HD23 LEU A 44 5.803 3.140 -0.105 1.00 10.00 H new ATOM 409 N LYS A 45 4.564 7.364 -2.376 1.00 10.00 N ATOM 410 CA LYS A 45 3.785 8.224 -3.257 1.00 10.00 C ATOM 411 C LYS A 45 3.293 7.432 -4.465 1.00 10.00 C ATOM 412 O LYS A 45 2.110 7.470 -4.812 1.00 10.00 O ATOM 413 CB LYS A 45 4.633 9.414 -3.722 1.00 10.00 C ATOM 414 CG LYS A 45 3.927 10.322 -4.722 1.00 10.00 C ATOM 415 CD LYS A 45 2.712 10.999 -4.102 1.00 10.00 C ATOM 416 CE LYS A 45 2.085 12.012 -5.050 1.00 10.00 C ATOM 417 NZ LYS A 45 0.993 12.781 -4.394 1.00 10.00 N ATOM 0 H LYS A 45 5.537 7.647 -2.264 1.00 10.00 H new ATOM 0 HA LYS A 45 2.923 8.599 -2.705 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.922 10.004 -2.852 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.552 9.039 -4.173 1.00 10.00 H new ATOM 0 HG2 LYS A 45 4.623 11.080 -5.081 1.00 10.00 H new ATOM 0 HG3 LYS A 45 3.617 9.738 -5.589 1.00 10.00 H new ATOM 0 HD2 LYS A 45 1.972 10.244 -3.835 1.00 10.00 H new ATOM 0 HD3 LYS A 45 3.006 11.498 -3.179 1.00 10.00 H new ATOM 0 HE2 LYS A 45 2.852 12.701 -5.405 1.00 10.00 H new ATOM 0 HE3 LYS A 45 1.691 11.495 -5.925 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 0.535 13.399 -5.094 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 0.291 12.121 -4.003 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 1.389 13.360 -3.626 1.00 10.00 H new ATOM 431 N LYS A 46 4.206 6.693 -5.086 1.00 10.00 N ATOM 432 CA LYS A 46 3.874 5.894 -6.258 1.00 10.00 C ATOM 433 C LYS A 46 3.103 4.640 -5.858 1.00 10.00 C ATOM 434 O LYS A 46 2.350 4.080 -6.654 1.00 10.00 O ATOM 435 CB LYS A 46 5.145 5.506 -7.014 1.00 10.00 C ATOM 436 CG LYS A 46 4.904 5.165 -8.474 1.00 10.00 C ATOM 437 CD LYS A 46 6.112 4.488 -9.088 1.00 10.00 C ATOM 438 CE LYS A 46 5.995 4.391 -10.597 1.00 10.00 C ATOM 439 NZ LYS A 46 6.544 5.595 -11.262 1.00 10.00 N ATOM 0 H LYS A 46 5.182 6.631 -4.796 1.00 10.00 H new ATOM 0 HA LYS A 46 3.242 6.496 -6.911 1.00 10.00 H new ATOM 0 HB2 LYS A 46 5.858 6.328 -6.955 1.00 10.00 H new ATOM 0 HB3 LYS A 46 5.604 4.649 -6.520 1.00 10.00 H new ATOM 0 HG2 LYS A 46 4.036 4.511 -8.558 1.00 10.00 H new ATOM 0 HG3 LYS A 46 4.673 6.074 -9.029 1.00 10.00 H new ATOM 0 HD2 LYS A 46 7.012 5.045 -8.828 1.00 10.00 H new ATOM 0 HD3 LYS A 46 6.222 3.489 -8.667 1.00 10.00 H new ATOM 0 HE2 LYS A 46 6.526 3.506 -10.948 1.00 10.00 H new ATOM 0 HE3 LYS A 46 4.948 4.266 -10.875 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 6.448 5.496 -12.293 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 6.021 6.436 -10.945 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 7.549 5.700 -11.016 1.00 10.00 H new ATOM 453 N LEU A 47 3.292 4.209 -4.618 1.00 10.00 N ATOM 454 CA LEU A 47 2.622 3.019 -4.107 1.00 10.00 C ATOM 455 C LEU A 47 1.107 3.189 -4.132 1.00 10.00 C ATOM 456 O LEU A 47 0.373 2.283 -4.528 1.00 10.00 O ATOM 457 CB LEU A 47 3.074 2.724 -2.673 1.00 10.00 C ATOM 458 CG LEU A 47 4.145 1.641 -2.525 1.00 10.00 C ATOM 459 CD1 LEU A 47 3.626 0.314 -3.049 1.00 10.00 C ATOM 460 CD2 LEU A 47 5.424 2.044 -3.245 1.00 10.00 C ATOM 0 H LEU A 47 3.906 4.667 -3.945 1.00 10.00 H new ATOM 0 HA LEU A 47 2.894 2.184 -4.753 1.00 10.00 H new ATOM 0 HB2 LEU A 47 3.453 3.647 -2.234 1.00 10.00 H new ATOM 0 HB3 LEU A 47 2.202 2.429 -2.090 1.00 10.00 H new ATOM 0 HG LEU A 47 4.378 1.527 -1.466 1.00 10.00 H new ATOM 0 HD11 LEU A 47 4.398 -0.448 -2.938 1.00 10.00 H new ATOM 0 HD12 LEU A 47 2.742 0.020 -2.483 1.00 10.00 H new ATOM 0 HD13 LEU A 47 3.365 0.416 -4.103 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.171 1.259 -3.126 1.00 10.00 H new ATOM 0 HD22 LEU A 47 5.215 2.188 -4.305 1.00 10.00 H new ATOM 0 HD23 LEU A 47 5.803 2.973 -2.820 1.00 10.00 H new ATOM 472 N LYS A 48 0.652 4.363 -3.723 1.00 10.00 N ATOM 473 CA LYS A 48 -0.772 4.657 -3.670 1.00 10.00 C ATOM 474 C LYS A 48 -1.410 4.655 -5.057 1.00 10.00 C ATOM 475 O LYS A 48 -2.407 3.970 -5.283 1.00 10.00 O ATOM 476 CB LYS A 48 -1.006 6.004 -2.989 1.00 10.00 C ATOM 477 CG LYS A 48 -0.560 6.035 -1.536 1.00 10.00 C ATOM 478 CD LYS A 48 -0.914 7.354 -0.867 1.00 10.00 C ATOM 479 CE LYS A 48 -2.413 7.490 -0.652 1.00 10.00 C ATOM 480 NZ LYS A 48 -2.770 8.793 -0.038 1.00 10.00 N ATOM 0 H LYS A 48 1.251 5.131 -3.421 1.00 10.00 H new ATOM 0 HA LYS A 48 -1.247 3.867 -3.089 1.00 10.00 H new ATOM 0 HB2 LYS A 48 -0.473 6.778 -3.541 1.00 10.00 H new ATOM 0 HB3 LYS A 48 -2.067 6.249 -3.040 1.00 10.00 H new ATOM 0 HG2 LYS A 48 -1.030 5.214 -0.994 1.00 10.00 H new ATOM 0 HG3 LYS A 48 0.517 5.877 -1.483 1.00 10.00 H new ATOM 0 HD2 LYS A 48 -0.401 7.425 0.092 1.00 10.00 H new ATOM 0 HD3 LYS A 48 -0.558 8.181 -1.481 1.00 10.00 H new ATOM 0 HE2 LYS A 48 -2.927 7.386 -1.607 1.00 10.00 H new ATOM 0 HE3 LYS A 48 -2.763 6.680 -0.012 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 -3.797 8.831 0.123 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 -2.273 8.897 0.870 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 -2.490 9.565 -0.676 1.00 10.00 H new ATOM 494 N GLU A 49 -0.827 5.403 -5.988 1.00 10.00 N ATOM 495 CA GLU A 49 -1.371 5.489 -7.343 1.00 10.00 C ATOM 496 C GLU A 49 -1.332 4.139 -8.059 1.00 10.00 C ATOM 497 O GLU A 49 -2.264 3.793 -8.785 1.00 10.00 O ATOM 498 CB GLU A 49 -0.634 6.548 -8.169 1.00 10.00 C ATOM 499 CG GLU A 49 0.879 6.450 -8.094 1.00 10.00 C ATOM 500 CD GLU A 49 1.547 6.877 -9.381 1.00 10.00 C ATOM 501 OE1 GLU A 49 2.207 6.034 -10.020 1.00 10.00 O ATOM 502 OE2 GLU A 49 1.410 8.059 -9.766 1.00 10.00 O ATOM 0 H GLU A 49 0.016 5.956 -5.833 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.415 5.787 -7.247 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -0.942 6.460 -9.211 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.941 7.537 -7.829 1.00 10.00 H new ATOM 0 HG2 GLU A 49 1.241 7.073 -7.276 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.163 5.423 -7.863 1.00 10.00 H new ATOM 509 N SER A 50 -0.271 3.369 -7.838 1.00 10.00 N ATOM 510 CA SER A 50 -0.136 2.064 -8.475 1.00 10.00 C ATOM 511 C SER A 50 -1.235 1.110 -8.015 1.00 10.00 C ATOM 512 O SER A 50 -1.778 0.349 -8.816 1.00 10.00 O ATOM 513 CB SER A 50 1.240 1.473 -8.185 1.00 10.00 C ATOM 514 OG SER A 50 2.261 2.348 -8.630 1.00 10.00 O ATOM 0 H SER A 50 0.504 3.624 -7.226 1.00 10.00 H new ATOM 0 HA SER A 50 -0.240 2.200 -9.551 1.00 10.00 H new ATOM 0 HB2 SER A 50 1.347 1.294 -7.115 1.00 10.00 H new ATOM 0 HB3 SER A 50 1.339 0.507 -8.681 1.00 10.00 H new ATOM 0 HG SER A 50 2.395 3.058 -7.968 1.00 10.00 H new ATOM 520 N TYR A 51 -1.579 1.163 -6.732 1.00 10.00 N ATOM 521 CA TYR A 51 -2.627 0.301 -6.202 1.00 10.00 C ATOM 522 C TYR A 51 -3.969 0.673 -6.822 1.00 10.00 C ATOM 523 O TYR A 51 -4.837 -0.180 -7.019 1.00 10.00 O ATOM 524 CB TYR A 51 -2.702 0.396 -4.678 1.00 10.00 C ATOM 525 CG TYR A 51 -3.421 -0.774 -4.043 1.00 10.00 C ATOM 526 CD1 TYR A 51 -2.801 -2.011 -3.925 1.00 10.00 C ATOM 527 CD2 TYR A 51 -4.719 -0.643 -3.565 1.00 10.00 C ATOM 528 CE1 TYR A 51 -3.453 -3.086 -3.353 1.00 10.00 C ATOM 529 CE2 TYR A 51 -5.378 -1.713 -2.990 1.00 10.00 C ATOM 530 CZ TYR A 51 -4.741 -2.933 -2.885 1.00 10.00 C ATOM 531 OH TYR A 51 -5.396 -4.003 -2.317 1.00 10.00 O ATOM 0 H TYR A 51 -1.152 1.787 -6.047 1.00 10.00 H new ATOM 0 HA TYR A 51 -2.386 -0.730 -6.462 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -1.691 0.456 -4.274 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -3.211 1.320 -4.403 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -1.791 -2.135 -4.287 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -5.221 0.310 -3.644 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -2.956 -4.042 -3.273 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -6.387 -1.595 -2.624 1.00 10.00 H new ATOM 0 HH TYR A 51 -4.743 -4.598 -1.892 1.00 10.00 H new ATOM 541 N CYS A 52 -4.125 1.953 -7.145 1.00 10.00 N ATOM 542 CA CYS A 52 -5.347 2.441 -7.766 1.00 10.00 C ATOM 543 C CYS A 52 -5.509 1.817 -9.147 1.00 10.00 C ATOM 544 O CYS A 52 -6.593 1.361 -9.512 1.00 10.00 O ATOM 545 CB CYS A 52 -5.320 3.967 -7.879 1.00 10.00 C ATOM 546 SG CYS A 52 -5.022 4.819 -6.314 1.00 10.00 S ATOM 0 H CYS A 52 -3.418 2.671 -6.986 1.00 10.00 H new ATOM 0 HA CYS A 52 -6.194 2.156 -7.142 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -4.545 4.254 -8.590 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -6.271 4.307 -8.290 1.00 10.00 H new ATOM 0 HG CYS A 52 -4.045 4.238 -5.683 1.00 10.00 H new ATOM 552 N GLN A 53 -4.410 1.780 -9.901 1.00 10.00 N ATOM 553 CA GLN A 53 -4.409 1.197 -11.240 1.00 10.00 C ATOM 554 C GLN A 53 -4.750 -0.286 -11.165 1.00 10.00 C ATOM 555 O GLN A 53 -5.483 -0.816 -12.001 1.00 10.00 O ATOM 556 CB GLN A 53 -3.037 1.358 -11.900 1.00 10.00 C ATOM 557 CG GLN A 53 -2.502 2.779 -11.906 1.00 10.00 C ATOM 558 CD GLN A 53 -1.050 2.841 -12.344 1.00 10.00 C ATOM 559 OE1 GLN A 53 -0.291 1.885 -12.159 1.00 10.00 O ATOM 560 NE2 GLN A 53 -0.651 3.959 -12.925 1.00 10.00 N ATOM 0 H GLN A 53 -3.506 2.149 -9.604 1.00 10.00 H new ATOM 0 HA GLN A 53 -5.157 1.720 -11.836 1.00 10.00 H new ATOM 0 HB2 GLN A 53 -2.322 0.717 -11.384 1.00 10.00 H new ATOM 0 HB3 GLN A 53 -3.099 1.003 -12.929 1.00 10.00 H new ATOM 0 HG2 GLN A 53 -3.108 3.391 -12.574 1.00 10.00 H new ATOM 0 HG3 GLN A 53 -2.598 3.206 -10.908 1.00 10.00 H new ATOM 0 HE21 GLN A 53 -1.309 4.727 -13.060 1.00 10.00 H new ATOM 0 HE22 GLN A 53 0.315 4.054 -13.239 1.00 10.00 H new ATOM 569 N ARG A 54 -4.214 -0.944 -10.145 1.00 10.00 N ATOM 570 CA ARG A 54 -4.436 -2.367 -9.935 1.00 10.00 C ATOM 571 C ARG A 54 -5.905 -2.662 -9.630 1.00 10.00 C ATOM 572 O ARG A 54 -6.426 -3.714 -10.000 1.00 10.00 O ATOM 573 CB ARG A 54 -3.553 -2.865 -8.787 1.00 10.00 C ATOM 574 CG ARG A 54 -3.459 -4.377 -8.703 1.00 10.00 C ATOM 575 CD ARG A 54 -2.664 -4.946 -9.864 1.00 10.00 C ATOM 576 NE ARG A 54 -2.791 -6.396 -9.952 1.00 10.00 N ATOM 577 CZ ARG A 54 -2.009 -7.169 -10.699 1.00 10.00 C ATOM 578 NH1 ARG A 54 -1.032 -6.634 -11.426 1.00 10.00 N ATOM 579 NH2 ARG A 54 -2.212 -8.478 -10.731 1.00 10.00 N ATOM 0 H ARG A 54 -3.616 -0.508 -9.443 1.00 10.00 H new ATOM 0 HA ARG A 54 -4.172 -2.891 -10.853 1.00 10.00 H new ATOM 0 HB2 ARG A 54 -2.551 -2.453 -8.906 1.00 10.00 H new ATOM 0 HB3 ARG A 54 -3.945 -2.481 -7.845 1.00 10.00 H new ATOM 0 HG2 ARG A 54 -2.988 -4.662 -7.762 1.00 10.00 H new ATOM 0 HG3 ARG A 54 -4.461 -4.806 -8.701 1.00 10.00 H new ATOM 0 HD2 ARG A 54 -3.007 -4.494 -10.795 1.00 10.00 H new ATOM 0 HD3 ARG A 54 -1.613 -4.680 -9.749 1.00 10.00 H new ATOM 0 HE ARG A 54 -3.526 -6.845 -9.406 1.00 10.00 H new ATOM 0 HH11 ARG A 54 -0.880 -5.626 -11.412 1.00 10.00 H new ATOM 0 HH12 ARG A 54 -0.435 -7.232 -11.997 1.00 10.00 H new ATOM 0 HH21 ARG A 54 -2.967 -8.891 -10.183 1.00 10.00 H new ATOM 0 HH22 ARG A 54 -1.613 -9.073 -11.303 1.00 10.00 H new ATOM 593 N GLN A 55 -6.564 -1.732 -8.952 1.00 10.00 N ATOM 594 CA GLN A 55 -7.969 -1.898 -8.601 1.00 10.00 C ATOM 595 C GLN A 55 -8.881 -1.372 -9.705 1.00 10.00 C ATOM 596 O GLN A 55 -10.084 -1.641 -9.708 1.00 10.00 O ATOM 597 CB GLN A 55 -8.281 -1.184 -7.285 1.00 10.00 C ATOM 598 CG GLN A 55 -7.869 -1.969 -6.051 1.00 10.00 C ATOM 599 CD GLN A 55 -8.413 -3.384 -6.051 1.00 10.00 C ATOM 600 OE1 GLN A 55 -7.741 -4.324 -6.478 1.00 10.00 O ATOM 601 NE2 GLN A 55 -9.640 -3.547 -5.585 1.00 10.00 N ATOM 0 H GLN A 55 -6.149 -0.856 -8.634 1.00 10.00 H new ATOM 0 HA GLN A 55 -8.156 -2.965 -8.481 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -7.774 -0.219 -7.277 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.351 -0.983 -7.236 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -6.781 -2.002 -5.993 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -8.220 -1.449 -5.160 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -10.165 -2.744 -5.240 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -10.061 -4.476 -5.571 1.00 10.00 H new ATOM 610 N GLY A 56 -8.302 -0.629 -10.640 1.00 10.00 N ATOM 611 CA GLY A 56 -9.075 -0.068 -11.733 1.00 10.00 C ATOM 612 C GLY A 56 -9.905 1.119 -11.287 1.00 10.00 C ATOM 613 O GLY A 56 -10.979 1.376 -11.831 1.00 10.00 O ATOM 0 H GLY A 56 -7.307 -0.404 -10.661 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -8.402 0.240 -12.533 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -9.731 -0.835 -12.145 1.00 10.00 H new ATOM 617 N VAL A 57 -9.399 1.838 -10.291 1.00 10.00 N ATOM 618 CA VAL A 57 -10.085 3.003 -9.747 1.00 10.00 C ATOM 619 C VAL A 57 -9.142 4.202 -9.711 1.00 10.00 C ATOM 620 O VAL A 57 -7.922 4.031 -9.720 1.00 10.00 O ATOM 621 CB VAL A 57 -10.613 2.734 -8.317 1.00 10.00 C ATOM 622 CG1 VAL A 57 -11.800 1.782 -8.346 1.00 10.00 C ATOM 623 CG2 VAL A 57 -9.507 2.181 -7.429 1.00 10.00 C ATOM 0 H VAL A 57 -8.507 1.631 -9.841 1.00 10.00 H new ATOM 0 HA VAL A 57 -10.933 3.216 -10.398 1.00 10.00 H new ATOM 0 HB VAL A 57 -10.948 3.683 -7.898 1.00 10.00 H new ATOM 0 HG11 VAL A 57 -12.153 1.609 -7.329 1.00 10.00 H new ATOM 0 HG12 VAL A 57 -12.603 2.220 -8.939 1.00 10.00 H new ATOM 0 HG13 VAL A 57 -11.496 0.834 -8.791 1.00 10.00 H new ATOM 0 HG21 VAL A 57 -9.900 1.999 -6.429 1.00 10.00 H new ATOM 0 HG22 VAL A 57 -9.137 1.246 -7.849 1.00 10.00 H new ATOM 0 HG23 VAL A 57 -8.691 2.902 -7.373 1.00 10.00 H new ATOM 633 N PRO A 58 -9.684 5.430 -9.695 1.00 10.00 N ATOM 634 CA PRO A 58 -8.869 6.648 -9.643 1.00 10.00 C ATOM 635 C PRO A 58 -8.155 6.800 -8.301 1.00 10.00 C ATOM 636 O PRO A 58 -8.401 6.038 -7.367 1.00 10.00 O ATOM 637 CB PRO A 58 -9.889 7.771 -9.839 1.00 10.00 C ATOM 638 CG PRO A 58 -11.189 7.190 -9.406 1.00 10.00 C ATOM 639 CD PRO A 58 -11.128 5.732 -9.752 1.00 10.00 C ATOM 0 HA PRO A 58 -8.077 6.645 -10.392 1.00 10.00 H new ATOM 0 HB2 PRO A 58 -9.631 8.647 -9.244 1.00 10.00 H new ATOM 0 HB3 PRO A 58 -9.927 8.092 -10.880 1.00 10.00 H new ATOM 0 HG2 PRO A 58 -11.342 7.331 -8.336 1.00 10.00 H new ATOM 0 HG3 PRO A 58 -12.022 7.677 -9.914 1.00 10.00 H new ATOM 0 HD2 PRO A 58 -11.694 5.126 -9.044 1.00 10.00 H new ATOM 0 HD3 PRO A 58 -11.541 5.536 -10.741 1.00 10.00 H new ATOM 647 N MET A 59 -7.275 7.784 -8.202 1.00 10.00 N ATOM 648 CA MET A 59 -6.536 8.018 -6.968 1.00 10.00 C ATOM 649 C MET A 59 -7.409 8.760 -5.959 1.00 10.00 C ATOM 650 O MET A 59 -8.338 9.471 -6.349 1.00 10.00 O ATOM 651 CB MET A 59 -5.261 8.815 -7.258 1.00 10.00 C ATOM 652 CG MET A 59 -4.167 8.611 -6.222 1.00 10.00 C ATOM 653 SD MET A 59 -2.730 9.663 -6.512 1.00 10.00 S ATOM 654 CE MET A 59 -1.610 9.056 -5.250 1.00 10.00 C ATOM 0 H MET A 59 -7.054 8.432 -8.958 1.00 10.00 H new ATOM 0 HA MET A 59 -6.256 7.055 -6.541 1.00 10.00 H new ATOM 0 HB2 MET A 59 -4.879 8.530 -8.238 1.00 10.00 H new ATOM 0 HB3 MET A 59 -5.509 9.875 -7.309 1.00 10.00 H new ATOM 0 HG2 MET A 59 -4.569 8.817 -5.230 1.00 10.00 H new ATOM 0 HG3 MET A 59 -3.855 7.567 -6.229 1.00 10.00 H new ATOM 0 HE1 MET A 59 -0.672 9.609 -5.300 1.00 10.00 H new ATOM 0 HE2 MET A 59 -2.061 9.193 -4.267 1.00 10.00 H new ATOM 0 HE3 MET A 59 -1.416 7.996 -5.415 1.00 10.00 H new ATOM 664 N ASN A 60 -7.114 8.568 -4.670 1.00 10.00 N ATOM 665 CA ASN A 60 -7.853 9.204 -3.568 1.00 10.00 C ATOM 666 C ASN A 60 -9.223 8.551 -3.379 1.00 10.00 C ATOM 667 O ASN A 60 -10.098 9.092 -2.706 1.00 10.00 O ATOM 668 CB ASN A 60 -8.008 10.717 -3.799 1.00 10.00 C ATOM 669 CG ASN A 60 -8.385 11.481 -2.541 1.00 10.00 C ATOM 670 OD1 ASN A 60 -7.857 11.228 -1.458 1.00 10.00 O ATOM 671 ND2 ASN A 60 -9.315 12.417 -2.674 1.00 10.00 N ATOM 0 H ASN A 60 -6.353 7.965 -4.357 1.00 10.00 H new ATOM 0 HA ASN A 60 -7.272 9.058 -2.657 1.00 10.00 H new ATOM 0 HB2 ASN A 60 -7.072 11.115 -4.191 1.00 10.00 H new ATOM 0 HB3 ASN A 60 -8.770 10.885 -4.560 1.00 10.00 H new ATOM 0 HD21 ASN A 60 -9.616 12.956 -1.862 1.00 10.00 H new ATOM 0 HD22 ASN A 60 -9.729 12.598 -3.588 1.00 10.00 H new ATOM 678 N SER A 61 -9.408 7.381 -3.976 1.00 10.00 N ATOM 679 CA SER A 61 -10.667 6.662 -3.854 1.00 10.00 C ATOM 680 C SER A 61 -10.581 5.641 -2.730 1.00 10.00 C ATOM 681 O SER A 61 -11.593 5.250 -2.145 1.00 10.00 O ATOM 682 CB SER A 61 -11.017 5.967 -5.172 1.00 10.00 C ATOM 683 OG SER A 61 -9.989 5.073 -5.564 1.00 10.00 O ATOM 0 H SER A 61 -8.705 6.912 -4.547 1.00 10.00 H new ATOM 0 HA SER A 61 -11.454 7.379 -3.620 1.00 10.00 H new ATOM 0 HB2 SER A 61 -11.955 5.423 -5.062 1.00 10.00 H new ATOM 0 HB3 SER A 61 -11.171 6.714 -5.951 1.00 10.00 H new ATOM 0 HG SER A 61 -9.559 5.406 -6.380 1.00 10.00 H new ATOM 689 N LEU A 62 -9.358 5.226 -2.426 1.00 10.00 N ATOM 690 CA LEU A 62 -9.111 4.245 -1.383 1.00 10.00 C ATOM 691 C LEU A 62 -8.119 4.790 -0.361 1.00 10.00 C ATOM 692 O LEU A 62 -7.164 5.490 -0.717 1.00 10.00 O ATOM 693 CB LEU A 62 -8.554 2.952 -1.990 1.00 10.00 C ATOM 694 CG LEU A 62 -9.386 2.334 -3.116 1.00 10.00 C ATOM 695 CD1 LEU A 62 -8.612 1.211 -3.789 1.00 10.00 C ATOM 696 CD2 LEU A 62 -10.714 1.816 -2.586 1.00 10.00 C ATOM 0 H LEU A 62 -8.515 5.559 -2.894 1.00 10.00 H new ATOM 0 HA LEU A 62 -10.057 4.033 -0.886 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -7.553 3.154 -2.372 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -8.449 2.215 -1.194 1.00 10.00 H new ATOM 0 HG LEU A 62 -9.592 3.110 -3.853 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -9.216 0.781 -4.588 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -7.686 1.607 -4.207 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -8.378 0.440 -3.055 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -11.288 1.381 -3.405 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -10.531 1.055 -1.827 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -11.276 2.640 -2.146 1.00 10.00 H new ATOM 708 N ARG A 63 -8.350 4.473 0.903 1.00 10.00 N ATOM 709 CA ARG A 63 -7.472 4.913 1.973 1.00 10.00 C ATOM 710 C ARG A 63 -6.742 3.719 2.570 1.00 10.00 C ATOM 711 O ARG A 63 -7.314 2.636 2.711 1.00 10.00 O ATOM 712 CB ARG A 63 -8.255 5.653 3.063 1.00 10.00 C ATOM 713 CG ARG A 63 -9.260 4.783 3.805 1.00 10.00 C ATOM 714 CD ARG A 63 -9.809 5.490 5.031 1.00 10.00 C ATOM 715 NE ARG A 63 -10.923 4.757 5.632 1.00 10.00 N ATOM 716 CZ ARG A 63 -12.204 5.017 5.373 1.00 10.00 C ATOM 717 NH1 ARG A 63 -12.536 5.996 4.536 1.00 10.00 N ATOM 718 NH2 ARG A 63 -13.156 4.293 5.946 1.00 10.00 N ATOM 0 H ARG A 63 -9.142 3.910 1.213 1.00 10.00 H new ATOM 0 HA ARG A 63 -6.743 5.606 1.553 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -7.550 6.070 3.783 1.00 10.00 H new ATOM 0 HB3 ARG A 63 -8.782 6.493 2.610 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -10.080 4.522 3.136 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -8.784 3.850 4.105 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -9.014 5.609 5.767 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -10.140 6.491 4.755 1.00 10.00 H new ATOM 0 HE ARG A 63 -10.707 4.005 6.286 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -11.808 6.553 4.088 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -13.518 6.190 4.342 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -12.907 3.538 6.585 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -14.137 4.492 5.748 1.00 10.00 H new ATOM 732 N PHE A 64 -5.480 3.919 2.908 1.00 10.00 N ATOM 733 CA PHE A 64 -4.668 2.864 3.487 1.00 10.00 C ATOM 734 C PHE A 64 -4.532 3.070 4.985 1.00 10.00 C ATOM 735 O PHE A 64 -4.006 4.090 5.435 1.00 10.00 O ATOM 736 CB PHE A 64 -3.290 2.836 2.825 1.00 10.00 C ATOM 737 CG PHE A 64 -3.351 2.590 1.344 1.00 10.00 C ATOM 738 CD1 PHE A 64 -3.183 3.631 0.448 1.00 10.00 C ATOM 739 CD2 PHE A 64 -3.587 1.316 0.851 1.00 10.00 C ATOM 740 CE1 PHE A 64 -3.249 3.409 -0.914 1.00 10.00 C ATOM 741 CE2 PHE A 64 -3.653 1.088 -0.511 1.00 10.00 C ATOM 742 CZ PHE A 64 -3.483 2.137 -1.395 1.00 10.00 C ATOM 0 H PHE A 64 -4.994 4.808 2.790 1.00 10.00 H new ATOM 0 HA PHE A 64 -5.158 1.906 3.311 1.00 10.00 H new ATOM 0 HB2 PHE A 64 -2.786 3.785 3.009 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -2.685 2.058 3.292 1.00 10.00 H new ATOM 0 HD1 PHE A 64 -2.998 4.629 0.818 1.00 10.00 H new ATOM 0 HD2 PHE A 64 -3.721 0.493 1.538 1.00 10.00 H new ATOM 0 HE1 PHE A 64 -3.117 4.231 -1.602 1.00 10.00 H new ATOM 0 HE2 PHE A 64 -3.837 0.091 -0.884 1.00 10.00 H new ATOM 0 HZ PHE A 64 -3.533 1.961 -2.459 1.00 10.00 H new ATOM 752 N LEU A 65 -5.012 2.103 5.748 1.00 10.00 N ATOM 753 CA LEU A 65 -4.962 2.173 7.197 1.00 10.00 C ATOM 754 C LEU A 65 -3.824 1.320 7.741 1.00 10.00 C ATOM 755 O LEU A 65 -3.770 0.110 7.504 1.00 10.00 O ATOM 756 CB LEU A 65 -6.291 1.714 7.798 1.00 10.00 C ATOM 757 CG LEU A 65 -7.514 2.533 7.379 1.00 10.00 C ATOM 758 CD1 LEU A 65 -8.790 1.867 7.861 1.00 10.00 C ATOM 759 CD2 LEU A 65 -7.417 3.952 7.917 1.00 10.00 C ATOM 0 H LEU A 65 -5.444 1.254 5.384 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.784 3.210 7.480 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -6.458 0.674 7.519 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -6.209 1.743 8.885 1.00 10.00 H new ATOM 0 HG LEU A 65 -7.540 2.580 6.290 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -9.650 2.463 7.554 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -8.866 0.870 7.427 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -8.772 1.789 8.948 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -8.295 4.519 7.609 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -7.366 3.926 9.005 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -6.520 4.430 7.523 1.00 10.00 H new ATOM 771 N PHE A 66 -2.924 1.957 8.471 1.00 10.00 N ATOM 772 CA PHE A 66 -1.784 1.279 9.059 1.00 10.00 C ATOM 773 C PHE A 66 -1.685 1.616 10.542 1.00 10.00 C ATOM 774 O PHE A 66 -1.394 2.757 10.907 1.00 10.00 O ATOM 775 CB PHE A 66 -0.498 1.689 8.339 1.00 10.00 C ATOM 776 CG PHE A 66 0.664 0.775 8.613 1.00 10.00 C ATOM 777 CD1 PHE A 66 0.837 -0.385 7.876 1.00 10.00 C ATOM 778 CD2 PHE A 66 1.583 1.078 9.607 1.00 10.00 C ATOM 779 CE1 PHE A 66 1.903 -1.227 8.123 1.00 10.00 C ATOM 780 CE2 PHE A 66 2.652 0.238 9.858 1.00 10.00 C ATOM 781 CZ PHE A 66 2.812 -0.915 9.116 1.00 10.00 C ATOM 0 H PHE A 66 -2.964 2.956 8.672 1.00 10.00 H new ATOM 0 HA PHE A 66 -1.919 0.203 8.950 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -0.685 1.713 7.265 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -0.231 2.702 8.639 1.00 10.00 H new ATOM 0 HD1 PHE A 66 0.130 -0.634 7.099 1.00 10.00 H new ATOM 0 HD2 PHE A 66 1.462 1.979 10.190 1.00 10.00 H new ATOM 0 HE1 PHE A 66 2.026 -2.128 7.541 1.00 10.00 H new ATOM 0 HE2 PHE A 66 3.362 0.484 10.634 1.00 10.00 H new ATOM 0 HZ PHE A 66 3.646 -1.572 9.311 1.00 10.00 H new ATOM 791 N GLU A 67 -1.964 0.624 11.387 1.00 10.00 N ATOM 792 CA GLU A 67 -1.905 0.784 12.842 1.00 10.00 C ATOM 793 C GLU A 67 -2.885 1.847 13.337 1.00 10.00 C ATOM 794 O GLU A 67 -2.682 2.451 14.392 1.00 10.00 O ATOM 795 CB GLU A 67 -0.480 1.131 13.283 1.00 10.00 C ATOM 796 CG GLU A 67 0.469 -0.055 13.259 1.00 10.00 C ATOM 797 CD GLU A 67 0.235 -1.009 14.414 1.00 10.00 C ATOM 798 OE1 GLU A 67 -0.806 -1.695 14.431 1.00 10.00 O ATOM 799 OE2 GLU A 67 1.094 -1.074 15.318 1.00 10.00 O ATOM 0 H GLU A 67 -2.237 -0.311 11.085 1.00 10.00 H new ATOM 0 HA GLU A 67 -2.196 -0.167 13.288 1.00 10.00 H new ATOM 0 HB2 GLU A 67 -0.088 1.913 12.633 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -0.511 1.541 14.292 1.00 10.00 H new ATOM 0 HG2 GLU A 67 0.350 -0.592 12.318 1.00 10.00 H new ATOM 0 HG3 GLU A 67 1.497 0.306 13.292 1.00 10.00 H new ATOM 806 N GLY A 68 -3.952 2.063 12.577 1.00 10.00 N ATOM 807 CA GLY A 68 -4.946 3.048 12.956 1.00 10.00 C ATOM 808 C GLY A 68 -4.755 4.368 12.237 1.00 10.00 C ATOM 809 O GLY A 68 -5.673 5.187 12.162 1.00 10.00 O ATOM 0 H GLY A 68 -4.146 1.573 11.704 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -5.941 2.659 12.738 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -4.898 3.213 14.032 1.00 10.00 H new ATOM 813 N GLN A 69 -3.561 4.583 11.712 1.00 10.00 N ATOM 814 CA GLN A 69 -3.253 5.807 10.990 1.00 10.00 C ATOM 815 C GLN A 69 -3.476 5.608 9.500 1.00 10.00 C ATOM 816 O GLN A 69 -3.589 4.478 9.029 1.00 10.00 O ATOM 817 CB GLN A 69 -1.805 6.228 11.230 1.00 10.00 C ATOM 818 CG GLN A 69 -1.544 6.827 12.602 1.00 10.00 C ATOM 819 CD GLN A 69 -0.261 7.632 12.634 1.00 10.00 C ATOM 820 OE1 GLN A 69 0.673 7.360 11.880 1.00 10.00 O ATOM 821 NE2 GLN A 69 -0.205 8.629 13.501 1.00 10.00 N ATOM 0 H GLN A 69 -2.785 3.923 11.772 1.00 10.00 H new ATOM 0 HA GLN A 69 -3.916 6.590 11.357 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -1.160 5.359 11.098 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -1.520 6.955 10.469 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -2.381 7.466 12.884 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -1.490 6.029 13.342 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -1.001 8.822 14.109 1.00 10.00 H new ATOM 0 HE22 GLN A 69 0.634 9.205 13.562 1.00 10.00 H new ATOM 830 N ARG A 70 -3.548 6.700 8.759 1.00 10.00 N ATOM 831 CA ARG A 70 -3.734 6.616 7.323 1.00 10.00 C ATOM 832 C ARG A 70 -2.457 7.041 6.613 1.00 10.00 C ATOM 833 O ARG A 70 -1.803 8.006 7.013 1.00 10.00 O ATOM 834 CB ARG A 70 -4.931 7.460 6.860 1.00 10.00 C ATOM 835 CG ARG A 70 -4.839 8.937 7.216 1.00 10.00 C ATOM 836 CD ARG A 70 -6.076 9.692 6.750 1.00 10.00 C ATOM 837 NE ARG A 70 -6.268 9.593 5.302 1.00 10.00 N ATOM 838 CZ ARG A 70 -7.461 9.587 4.699 1.00 10.00 C ATOM 839 NH1 ARG A 70 -8.580 9.675 5.408 1.00 10.00 N ATOM 840 NH2 ARG A 70 -7.532 9.494 3.381 1.00 10.00 N ATOM 0 H ARG A 70 -3.481 7.649 9.126 1.00 10.00 H new ATOM 0 HA ARG A 70 -3.954 5.580 7.064 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -5.029 7.366 5.779 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -5.840 7.050 7.299 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -4.727 9.048 8.295 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -3.950 9.370 6.757 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -6.955 9.297 7.260 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -5.988 10.741 7.033 1.00 10.00 H new ATOM 0 HE ARG A 70 -5.437 9.524 4.715 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -8.535 9.748 6.424 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -9.484 9.669 4.936 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -6.678 9.427 2.828 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -8.441 9.489 2.918 1.00 10.00 H new ATOM 854 N ILE A 71 -2.089 6.293 5.585 1.00 10.00 N ATOM 855 CA ILE A 71 -0.885 6.579 4.818 1.00 10.00 C ATOM 856 C ILE A 71 -1.092 7.785 3.906 1.00 10.00 C ATOM 857 O ILE A 71 -2.046 7.829 3.122 1.00 10.00 O ATOM 858 CB ILE A 71 -0.458 5.355 3.972 1.00 10.00 C ATOM 859 CG1 ILE A 71 -0.238 4.130 4.868 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.801 5.660 3.170 1.00 10.00 C ATOM 861 CD1 ILE A 71 0.810 4.334 5.943 1.00 10.00 C ATOM 0 H ILE A 71 -2.610 5.478 5.260 1.00 10.00 H new ATOM 0 HA ILE A 71 -0.092 6.806 5.531 1.00 10.00 H new ATOM 0 HB ILE A 71 -1.263 5.132 3.271 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.183 3.865 5.342 1.00 10.00 H new ATOM 0 HG13 ILE A 71 0.055 3.285 4.245 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.080 4.784 2.584 1.00 10.00 H new ATOM 0 HG22 ILE A 71 0.612 6.499 2.501 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.613 5.915 3.851 1.00 10.00 H new ATOM 0 HD11 ILE A 71 0.907 3.423 6.534 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.767 4.568 5.478 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.510 5.157 6.592 1.00 10.00 H new ATOM 873 N ALA A 72 -0.203 8.762 4.023 1.00 10.00 N ATOM 874 CA ALA A 72 -0.276 9.966 3.213 1.00 10.00 C ATOM 875 C ALA A 72 0.488 9.778 1.905 1.00 10.00 C ATOM 876 O ALA A 72 0.942 8.678 1.594 1.00 10.00 O ATOM 877 CB ALA A 72 0.267 11.157 3.989 1.00 10.00 C ATOM 0 H ALA A 72 0.581 8.742 4.676 1.00 10.00 H new ATOM 0 HA ALA A 72 -1.321 10.161 2.971 1.00 10.00 H new ATOM 0 HB1 ALA A 72 0.206 12.052 3.370 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -0.323 11.301 4.894 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.307 10.972 4.259 1.00 10.00 H new ATOM 883 N ASP A 73 0.640 10.856 1.150 1.00 10.00 N ATOM 884 CA ASP A 73 1.334 10.805 -0.136 1.00 10.00 C ATOM 885 C ASP A 73 2.813 11.143 0.014 1.00 10.00 C ATOM 886 O ASP A 73 3.540 11.234 -0.976 1.00 10.00 O ATOM 887 CB ASP A 73 0.688 11.774 -1.129 1.00 10.00 C ATOM 888 CG ASP A 73 -0.535 11.194 -1.808 1.00 10.00 C ATOM 889 OD1 ASP A 73 -1.498 10.832 -1.101 1.00 10.00 O ATOM 890 OD2 ASP A 73 -0.539 11.110 -3.051 1.00 10.00 O ATOM 0 H ASP A 73 0.292 11.781 1.403 1.00 10.00 H new ATOM 0 HA ASP A 73 1.250 9.786 -0.513 1.00 10.00 H new ATOM 0 HB2 ASP A 73 0.408 12.689 -0.606 1.00 10.00 H new ATOM 0 HB3 ASP A 73 1.421 12.052 -1.887 1.00 10.00 H new ATOM 895 N ASN A 74 3.256 11.341 1.245 1.00 10.00 N ATOM 896 CA ASN A 74 4.656 11.668 1.502 1.00 10.00 C ATOM 897 C ASN A 74 5.228 10.777 2.599 1.00 10.00 C ATOM 898 O ASN A 74 6.246 11.102 3.211 1.00 10.00 O ATOM 899 CB ASN A 74 4.815 13.146 1.880 1.00 10.00 C ATOM 900 CG ASN A 74 4.001 13.546 3.098 1.00 10.00 C ATOM 901 OD1 ASN A 74 2.841 13.940 2.979 1.00 10.00 O ATOM 902 ND2 ASN A 74 4.603 13.460 4.273 1.00 10.00 N ATOM 0 H ASN A 74 2.673 11.282 2.080 1.00 10.00 H new ATOM 0 HA ASN A 74 5.214 11.487 0.583 1.00 10.00 H new ATOM 0 HB2 ASN A 74 5.868 13.354 2.071 1.00 10.00 H new ATOM 0 HB3 ASN A 74 4.517 13.764 1.033 1.00 10.00 H new ATOM 0 HD21 ASN A 74 4.104 13.725 5.122 1.00 10.00 H new ATOM 0 HD22 ASN A 74 5.566 13.128 4.330 1.00 10.00 H new ATOM 909 N HIS A 75 4.572 9.647 2.830 1.00 10.00 N ATOM 910 CA HIS A 75 5.011 8.702 3.848 1.00 10.00 C ATOM 911 C HIS A 75 6.109 7.797 3.302 1.00 10.00 C ATOM 912 O HIS A 75 6.208 7.579 2.092 1.00 10.00 O ATOM 913 CB HIS A 75 3.835 7.848 4.330 1.00 10.00 C ATOM 914 CG HIS A 75 3.267 8.281 5.646 1.00 10.00 C ATOM 915 ND1 HIS A 75 2.164 9.098 5.721 1.00 10.00 N ATOM 916 CD2 HIS A 75 3.679 7.980 6.900 1.00 10.00 C ATOM 917 CE1 HIS A 75 1.932 9.275 7.010 1.00 10.00 C ATOM 918 NE2 HIS A 75 2.824 8.617 7.759 1.00 10.00 N ATOM 0 H HIS A 75 3.733 9.363 2.325 1.00 10.00 H new ATOM 0 HA HIS A 75 5.406 9.272 4.689 1.00 10.00 H new ATOM 0 HB2 HIS A 75 3.046 7.877 3.578 1.00 10.00 H new ATOM 0 HB3 HIS A 75 4.161 6.811 4.410 1.00 10.00 H new ATOM 0 HD2 HIS A 75 4.519 7.358 7.170 1.00 10.00 H new ATOM 0 HE1 HIS A 75 1.126 9.874 7.408 1.00 10.00 H new ATOM 0 HE2 HIS A 75 2.860 8.594 8.778 1.00 10.00 H new ATOM 926 N THR A 76 6.932 7.277 4.195 1.00 10.00 N ATOM 927 CA THR A 76 8.016 6.389 3.814 1.00 10.00 C ATOM 928 C THR A 76 7.982 5.118 4.664 1.00 10.00 C ATOM 929 O THR A 76 7.543 5.156 5.811 1.00 10.00 O ATOM 930 CB THR A 76 9.379 7.088 3.979 1.00 10.00 C ATOM 931 OG1 THR A 76 9.188 8.405 4.514 1.00 10.00 O ATOM 932 CG2 THR A 76 10.107 7.183 2.646 1.00 10.00 C ATOM 0 H THR A 76 6.869 7.456 5.197 1.00 10.00 H new ATOM 0 HA THR A 76 7.885 6.124 2.765 1.00 10.00 H new ATOM 0 HB THR A 76 9.985 6.496 4.665 1.00 10.00 H new ATOM 0 HG1 THR A 76 8.760 8.342 5.393 1.00 10.00 H new ATOM 0 HG21 THR A 76 11.066 7.680 2.790 1.00 10.00 H new ATOM 0 HG22 THR A 76 10.274 6.181 2.250 1.00 10.00 H new ATOM 0 HG23 THR A 76 9.503 7.756 1.942 1.00 10.00 H new ATOM 940 N PRO A 77 8.438 3.973 4.118 1.00 10.00 N ATOM 941 CA PRO A 77 8.448 2.696 4.848 1.00 10.00 C ATOM 942 C PRO A 77 9.415 2.701 6.031 1.00 10.00 C ATOM 943 O PRO A 77 9.361 1.829 6.898 1.00 10.00 O ATOM 944 CB PRO A 77 8.907 1.672 3.800 1.00 10.00 C ATOM 945 CG PRO A 77 8.782 2.359 2.484 1.00 10.00 C ATOM 946 CD PRO A 77 8.966 3.822 2.754 1.00 10.00 C ATOM 0 HA PRO A 77 7.469 2.480 5.276 1.00 10.00 H new ATOM 0 HB2 PRO A 77 9.935 1.359 3.982 1.00 10.00 H new ATOM 0 HB3 PRO A 77 8.290 0.774 3.833 1.00 10.00 H new ATOM 0 HG2 PRO A 77 9.533 1.996 1.783 1.00 10.00 H new ATOM 0 HG3 PRO A 77 7.807 2.166 2.036 1.00 10.00 H new ATOM 0 HD2 PRO A 77 10.014 4.116 2.692 1.00 10.00 H new ATOM 0 HD3 PRO A 77 8.419 4.437 2.039 1.00 10.00 H new ATOM 954 N LYS A 78 10.300 3.690 6.054 1.00 10.00 N ATOM 955 CA LYS A 78 11.288 3.819 7.118 1.00 10.00 C ATOM 956 C LYS A 78 10.651 4.352 8.404 1.00 10.00 C ATOM 957 O LYS A 78 11.155 4.112 9.506 1.00 10.00 O ATOM 958 CB LYS A 78 12.424 4.742 6.661 1.00 10.00 C ATOM 959 CG LYS A 78 13.627 4.766 7.595 1.00 10.00 C ATOM 960 CD LYS A 78 14.228 3.380 7.797 1.00 10.00 C ATOM 961 CE LYS A 78 14.763 2.796 6.498 1.00 10.00 C ATOM 962 NZ LYS A 78 15.324 1.434 6.698 1.00 10.00 N ATOM 0 H LYS A 78 10.353 4.419 5.343 1.00 10.00 H new ATOM 0 HA LYS A 78 11.693 2.830 7.334 1.00 10.00 H new ATOM 0 HB2 LYS A 78 12.754 4.429 5.670 1.00 10.00 H new ATOM 0 HB3 LYS A 78 12.035 5.756 6.562 1.00 10.00 H new ATOM 0 HG2 LYS A 78 14.387 5.434 7.189 1.00 10.00 H new ATOM 0 HG3 LYS A 78 13.327 5.174 8.560 1.00 10.00 H new ATOM 0 HD2 LYS A 78 15.035 3.438 8.528 1.00 10.00 H new ATOM 0 HD3 LYS A 78 13.471 2.713 8.210 1.00 10.00 H new ATOM 0 HE2 LYS A 78 13.962 2.755 5.760 1.00 10.00 H new ATOM 0 HE3 LYS A 78 15.535 3.452 6.095 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 15.679 1.068 5.791 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 16.105 1.477 7.383 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 14.581 0.802 7.059 1.00 10.00 H new ATOM 976 N GLU A 79 9.543 5.066 8.265 1.00 10.00 N ATOM 977 CA GLU A 79 8.853 5.623 9.418 1.00 10.00 C ATOM 978 C GLU A 79 7.681 4.728 9.808 1.00 10.00 C ATOM 979 O GLU A 79 7.382 3.759 9.105 1.00 10.00 O ATOM 980 CB GLU A 79 8.372 7.044 9.125 1.00 10.00 C ATOM 981 CG GLU A 79 7.214 7.113 8.146 1.00 10.00 C ATOM 982 CD GLU A 79 6.999 8.505 7.605 1.00 10.00 C ATOM 983 OE1 GLU A 79 6.447 9.354 8.334 1.00 10.00 O ATOM 984 OE2 GLU A 79 7.388 8.758 6.447 1.00 10.00 O ATOM 0 H GLU A 79 9.104 5.272 7.368 1.00 10.00 H new ATOM 0 HA GLU A 79 9.551 5.669 10.254 1.00 10.00 H new ATOM 0 HB2 GLU A 79 8.072 7.516 10.061 1.00 10.00 H new ATOM 0 HB3 GLU A 79 9.205 7.624 8.728 1.00 10.00 H new ATOM 0 HG2 GLU A 79 7.401 6.429 7.318 1.00 10.00 H new ATOM 0 HG3 GLU A 79 6.304 6.774 8.640 1.00 10.00 H new ATOM 991 N LEU A 80 7.042 5.050 10.936 1.00 10.00 N ATOM 992 CA LEU A 80 5.898 4.292 11.457 1.00 10.00 C ATOM 993 C LEU A 80 6.333 2.937 12.021 1.00 10.00 C ATOM 994 O LEU A 80 6.030 2.611 13.171 1.00 10.00 O ATOM 995 CB LEU A 80 4.817 4.101 10.383 1.00 10.00 C ATOM 996 CG LEU A 80 3.532 4.898 10.605 1.00 10.00 C ATOM 997 CD1 LEU A 80 2.668 4.880 9.353 1.00 10.00 C ATOM 998 CD2 LEU A 80 2.758 4.343 11.789 1.00 10.00 C ATOM 0 H LEU A 80 7.304 5.847 11.517 1.00 10.00 H new ATOM 0 HA LEU A 80 5.471 4.877 12.271 1.00 10.00 H new ATOM 0 HB2 LEU A 80 5.235 4.379 9.416 1.00 10.00 H new ATOM 0 HB3 LEU A 80 4.564 3.042 10.329 1.00 10.00 H new ATOM 0 HG LEU A 80 3.804 5.931 10.822 1.00 10.00 H new ATOM 0 HD11 LEU A 80 1.758 5.453 9.531 1.00 10.00 H new ATOM 0 HD12 LEU A 80 3.220 5.323 8.524 1.00 10.00 H new ATOM 0 HD13 LEU A 80 2.407 3.851 9.106 1.00 10.00 H new ATOM 0 HD21 LEU A 80 1.846 4.923 11.932 1.00 10.00 H new ATOM 0 HD22 LEU A 80 2.499 3.301 11.599 1.00 10.00 H new ATOM 0 HD23 LEU A 80 3.372 4.406 12.687 1.00 10.00 H new ATOM 1010 N GLY A 81 7.039 2.159 11.214 1.00 10.00 N ATOM 1011 CA GLY A 81 7.499 0.858 11.646 1.00 10.00 C ATOM 1012 C GLY A 81 6.928 -0.256 10.796 1.00 10.00 C ATOM 1013 O GLY A 81 6.239 -1.143 11.301 1.00 10.00 O ATOM 0 H GLY A 81 7.302 2.409 10.261 1.00 10.00 H new ATOM 0 HA2 GLY A 81 8.588 0.826 11.603 1.00 10.00 H new ATOM 0 HA3 GLY A 81 7.217 0.701 12.687 1.00 10.00 H new ATOM 1017 N MET A 82 7.204 -0.206 9.502 1.00 10.00 N ATOM 1018 CA MET A 82 6.709 -1.212 8.570 1.00 10.00 C ATOM 1019 C MET A 82 7.708 -2.354 8.456 1.00 10.00 C ATOM 1020 O MET A 82 8.882 -2.132 8.163 1.00 10.00 O ATOM 1021 CB MET A 82 6.460 -0.576 7.200 1.00 10.00 C ATOM 1022 CG MET A 82 5.431 0.544 7.238 1.00 10.00 C ATOM 1023 SD MET A 82 5.486 1.605 5.779 1.00 10.00 S ATOM 1024 CE MET A 82 4.542 3.012 6.358 1.00 10.00 C ATOM 0 H MET A 82 7.771 0.524 9.070 1.00 10.00 H new ATOM 0 HA MET A 82 5.767 -1.613 8.944 1.00 10.00 H new ATOM 0 HB2 MET A 82 7.400 -0.184 6.812 1.00 10.00 H new ATOM 0 HB3 MET A 82 6.125 -1.346 6.505 1.00 10.00 H new ATOM 0 HG2 MET A 82 4.435 0.111 7.328 1.00 10.00 H new ATOM 0 HG3 MET A 82 5.596 1.151 8.128 1.00 10.00 H new ATOM 0 HE1 MET A 82 3.937 3.406 5.541 1.00 10.00 H new ATOM 0 HE2 MET A 82 3.890 2.702 7.175 1.00 10.00 H new ATOM 0 HE3 MET A 82 5.223 3.786 6.711 1.00 10.00 H new ATOM 1034 N GLU A 83 7.245 -3.572 8.694 1.00 10.00 N ATOM 1035 CA GLU A 83 8.113 -4.740 8.633 1.00 10.00 C ATOM 1036 C GLU A 83 7.592 -5.783 7.649 1.00 10.00 C ATOM 1037 O GLU A 83 6.576 -5.583 6.984 1.00 10.00 O ATOM 1038 CB GLU A 83 8.249 -5.363 10.024 1.00 10.00 C ATOM 1039 CG GLU A 83 9.544 -5.003 10.732 1.00 10.00 C ATOM 1040 CD GLU A 83 10.765 -5.573 10.040 1.00 10.00 C ATOM 1041 OE1 GLU A 83 10.615 -6.513 9.229 1.00 10.00 O ATOM 1042 OE2 GLU A 83 11.884 -5.087 10.311 1.00 10.00 O ATOM 0 H GLU A 83 6.275 -3.778 8.931 1.00 10.00 H new ATOM 0 HA GLU A 83 9.090 -4.408 8.281 1.00 10.00 H new ATOM 0 HB2 GLU A 83 7.408 -5.043 10.639 1.00 10.00 H new ATOM 0 HB3 GLU A 83 8.184 -6.447 9.934 1.00 10.00 H new ATOM 0 HG2 GLU A 83 9.635 -3.918 10.786 1.00 10.00 H new ATOM 0 HG3 GLU A 83 9.507 -5.371 11.757 1.00 10.00 H new ATOM 1049 N GLU A 84 8.310 -6.894 7.562 1.00 10.00 N ATOM 1050 CA GLU A 84 7.936 -7.992 6.682 1.00 10.00 C ATOM 1051 C GLU A 84 6.706 -8.708 7.237 1.00 10.00 C ATOM 1052 O GLU A 84 6.575 -8.870 8.456 1.00 10.00 O ATOM 1053 CB GLU A 84 9.109 -8.968 6.545 1.00 10.00 C ATOM 1054 CG GLU A 84 8.793 -10.225 5.745 1.00 10.00 C ATOM 1055 CD GLU A 84 8.402 -9.930 4.311 1.00 10.00 C ATOM 1056 OE1 GLU A 84 9.037 -9.055 3.684 1.00 10.00 O ATOM 1057 OE2 GLU A 84 7.467 -10.578 3.804 1.00 10.00 O ATOM 0 H GLU A 84 9.163 -7.059 8.096 1.00 10.00 H new ATOM 0 HA GLU A 84 7.692 -7.597 5.696 1.00 10.00 H new ATOM 0 HB2 GLU A 84 9.943 -8.450 6.071 1.00 10.00 H new ATOM 0 HB3 GLU A 84 9.441 -9.260 7.541 1.00 10.00 H new ATOM 0 HG2 GLU A 84 9.663 -10.881 5.751 1.00 10.00 H new ATOM 0 HG3 GLU A 84 7.982 -10.766 6.233 1.00 10.00 H new ATOM 1064 N GLU A 85 5.808 -9.116 6.337 1.00 10.00 N ATOM 1065 CA GLU A 85 4.572 -9.807 6.708 1.00 10.00 C ATOM 1066 C GLU A 85 3.652 -8.882 7.499 1.00 10.00 C ATOM 1067 O GLU A 85 2.816 -9.338 8.279 1.00 10.00 O ATOM 1068 CB GLU A 85 4.867 -11.081 7.513 1.00 10.00 C ATOM 1069 CG GLU A 85 5.097 -12.313 6.649 1.00 10.00 C ATOM 1070 CD GLU A 85 3.827 -12.804 5.981 1.00 10.00 C ATOM 1071 OE1 GLU A 85 3.639 -12.533 4.779 1.00 10.00 O ATOM 1072 OE2 GLU A 85 3.005 -13.461 6.655 1.00 10.00 O ATOM 0 H GLU A 85 5.917 -8.977 5.332 1.00 10.00 H new ATOM 0 HA GLU A 85 4.066 -10.097 5.787 1.00 10.00 H new ATOM 0 HB2 GLU A 85 5.748 -10.913 8.132 1.00 10.00 H new ATOM 0 HB3 GLU A 85 4.034 -11.273 8.190 1.00 10.00 H new ATOM 0 HG2 GLU A 85 5.839 -12.082 5.885 1.00 10.00 H new ATOM 0 HG3 GLU A 85 5.511 -13.112 7.265 1.00 10.00 H new ATOM 1079 N ASP A 86 3.811 -7.580 7.287 1.00 10.00 N ATOM 1080 CA ASP A 86 2.995 -6.588 7.975 1.00 10.00 C ATOM 1081 C ASP A 86 1.576 -6.602 7.426 1.00 10.00 C ATOM 1082 O ASP A 86 1.336 -7.097 6.322 1.00 10.00 O ATOM 1083 CB ASP A 86 3.597 -5.190 7.836 1.00 10.00 C ATOM 1084 CG ASP A 86 3.563 -4.427 9.141 1.00 10.00 C ATOM 1085 OD1 ASP A 86 2.457 -4.217 9.684 1.00 10.00 O ATOM 1086 OD2 ASP A 86 4.644 -4.046 9.643 1.00 10.00 O ATOM 0 H ASP A 86 4.498 -7.187 6.644 1.00 10.00 H new ATOM 0 HA ASP A 86 2.971 -6.845 9.034 1.00 10.00 H new ATOM 0 HB2 ASP A 86 4.628 -5.272 7.490 1.00 10.00 H new ATOM 0 HB3 ASP A 86 3.049 -4.633 7.076 1.00 10.00 H new ATOM 1091 N VAL A 87 0.643 -6.044 8.181 1.00 10.00 N ATOM 1092 CA VAL A 87 -0.755 -6.032 7.775 1.00 10.00 C ATOM 1093 C VAL A 87 -1.258 -4.617 7.509 1.00 10.00 C ATOM 1094 O VAL A 87 -1.299 -3.775 8.409 1.00 10.00 O ATOM 1095 CB VAL A 87 -1.650 -6.696 8.845 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -3.104 -6.727 8.397 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -1.160 -8.102 9.160 1.00 10.00 C ATOM 0 H VAL A 87 0.827 -5.594 9.077 1.00 10.00 H new ATOM 0 HA VAL A 87 -0.815 -6.602 6.848 1.00 10.00 H new ATOM 0 HB VAL A 87 -1.587 -6.097 9.753 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -3.712 -7.199 9.168 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -3.455 -5.709 8.231 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -3.187 -7.295 7.471 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -1.804 -8.551 9.916 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -1.186 -8.708 8.254 1.00 10.00 H new ATOM 0 HG23 VAL A 87 -0.138 -8.055 9.536 1.00 10.00 H new ATOM 1107 N ILE A 88 -1.638 -4.364 6.268 1.00 10.00 N ATOM 1108 CA ILE A 88 -2.164 -3.067 5.873 1.00 10.00 C ATOM 1109 C ILE A 88 -3.561 -3.247 5.280 1.00 10.00 C ATOM 1110 O ILE A 88 -3.797 -4.165 4.492 1.00 10.00 O ATOM 1111 CB ILE A 88 -1.225 -2.343 4.872 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -1.806 -0.984 4.471 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -0.972 -3.202 3.642 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -0.835 -0.119 3.698 1.00 10.00 C ATOM 0 H ILE A 88 -1.592 -5.046 5.511 1.00 10.00 H new ATOM 0 HA ILE A 88 -2.225 -2.435 6.759 1.00 10.00 H new ATOM 0 HB ILE A 88 -0.269 -2.175 5.369 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.699 -1.143 3.867 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -2.119 -0.452 5.369 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -0.311 -2.671 2.957 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -0.505 -4.140 3.943 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -1.918 -3.412 3.144 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.312 0.828 3.446 1.00 10.00 H new ATOM 0 HD12 ILE A 88 0.048 0.070 4.308 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.541 -0.632 2.782 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.491 -2.394 5.681 1.00 10.00 N ATOM 1127 CA GLU A 89 -5.864 -2.491 5.205 1.00 10.00 C ATOM 1128 C GLU A 89 -6.213 -1.330 4.287 1.00 10.00 C ATOM 1129 O GLU A 89 -5.700 -0.221 4.444 1.00 10.00 O ATOM 1130 CB GLU A 89 -6.820 -2.526 6.394 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.554 -3.684 7.339 1.00 10.00 C ATOM 1132 CD GLU A 89 -6.997 -3.393 8.753 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -8.074 -3.878 9.157 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -6.267 -2.681 9.475 1.00 10.00 O ATOM 0 H GLU A 89 -4.322 -1.628 6.333 1.00 10.00 H new ATOM 0 HA GLU A 89 -5.963 -3.413 4.631 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -6.739 -1.589 6.945 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -7.844 -2.592 6.027 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -7.072 -4.571 6.975 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -5.488 -3.913 7.336 1.00 10.00 H new ATOM 1141 N VAL A 90 -7.090 -1.594 3.330 1.00 10.00 N ATOM 1142 CA VAL A 90 -7.514 -0.581 2.380 1.00 10.00 C ATOM 1143 C VAL A 90 -9.040 -0.538 2.288 1.00 10.00 C ATOM 1144 O VAL A 90 -9.695 -1.575 2.160 1.00 10.00 O ATOM 1145 CB VAL A 90 -6.899 -0.836 0.981 1.00 10.00 C ATOM 1146 CG1 VAL A 90 -7.253 -2.227 0.469 1.00 10.00 C ATOM 1147 CG2 VAL A 90 -7.342 0.234 -0.008 1.00 10.00 C ATOM 0 H VAL A 90 -7.523 -2.507 3.192 1.00 10.00 H new ATOM 0 HA VAL A 90 -7.156 0.385 2.738 1.00 10.00 H new ATOM 0 HB VAL A 90 -5.815 -0.782 1.078 1.00 10.00 H new ATOM 0 HG11 VAL A 90 -6.808 -2.377 -0.514 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -6.869 -2.978 1.160 1.00 10.00 H new ATOM 0 HG13 VAL A 90 -8.336 -2.323 0.395 1.00 10.00 H new ATOM 0 HG21 VAL A 90 -6.898 0.034 -0.983 1.00 10.00 H new ATOM 0 HG22 VAL A 90 -8.428 0.222 -0.095 1.00 10.00 H new ATOM 0 HG23 VAL A 90 -7.017 1.213 0.345 1.00 10.00 H new ATOM 1157 N TYR A 91 -9.600 0.661 2.380 1.00 10.00 N ATOM 1158 CA TYR A 91 -11.046 0.842 2.308 1.00 10.00 C ATOM 1159 C TYR A 91 -11.384 2.034 1.422 1.00 10.00 C ATOM 1160 O TYR A 91 -10.547 2.913 1.214 1.00 10.00 O ATOM 1161 CB TYR A 91 -11.635 1.032 3.709 1.00 10.00 C ATOM 1162 CG TYR A 91 -11.558 -0.214 4.565 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -12.444 -1.266 4.374 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -10.594 -0.341 5.558 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -12.372 -2.408 5.149 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -10.518 -1.480 6.337 1.00 10.00 C ATOM 1167 CZ TYR A 91 -11.408 -2.511 6.127 1.00 10.00 C ATOM 1168 OH TYR A 91 -11.333 -3.648 6.901 1.00 10.00 O ATOM 0 H TYR A 91 -9.074 1.526 2.505 1.00 10.00 H new ATOM 0 HA TYR A 91 -11.486 -0.054 1.870 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -11.106 1.842 4.211 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -12.677 1.339 3.619 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -13.201 -1.191 3.608 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -9.893 0.464 5.724 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -13.069 -3.217 4.988 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -9.765 -1.562 7.107 1.00 10.00 H new ATOM 0 HH TYR A 91 -10.597 -3.559 7.542 1.00 10.00 H new ATOM 1178 N GLN A 92 -12.606 2.064 0.909 1.00 10.00 N ATOM 1179 CA GLN A 92 -13.040 3.139 0.029 1.00 10.00 C ATOM 1180 C GLN A 92 -13.348 4.412 0.812 1.00 10.00 C ATOM 1181 O GLN A 92 -13.892 4.365 1.917 1.00 10.00 O ATOM 1182 CB GLN A 92 -14.275 2.710 -0.769 1.00 10.00 C ATOM 1183 CG GLN A 92 -14.601 3.641 -1.929 1.00 10.00 C ATOM 1184 CD GLN A 92 -16.088 3.726 -2.210 1.00 10.00 C ATOM 1185 OE1 GLN A 92 -16.632 2.946 -2.992 1.00 10.00 O ATOM 1186 NE2 GLN A 92 -16.752 4.684 -1.588 1.00 10.00 N ATOM 0 H GLN A 92 -13.316 1.354 1.088 1.00 10.00 H new ATOM 0 HA GLN A 92 -12.222 3.352 -0.659 1.00 10.00 H new ATOM 0 HB2 GLN A 92 -14.117 1.703 -1.155 1.00 10.00 H new ATOM 0 HB3 GLN A 92 -15.133 2.663 -0.098 1.00 10.00 H new ATOM 0 HG2 GLN A 92 -14.220 4.638 -1.708 1.00 10.00 H new ATOM 0 HG3 GLN A 92 -14.085 3.294 -2.824 1.00 10.00 H new ATOM 0 HE21 GLN A 92 -16.264 5.310 -0.947 1.00 10.00 H new ATOM 0 HE22 GLN A 92 -17.753 4.798 -1.748 1.00 10.00 H new ATOM 1195 N GLU A 93 -12.988 5.542 0.225 1.00 10.00 N ATOM 1196 CA GLU A 93 -13.225 6.844 0.832 1.00 10.00 C ATOM 1197 C GLU A 93 -14.662 7.291 0.583 1.00 10.00 C ATOM 1198 O GLU A 93 -15.367 6.705 -0.241 1.00 10.00 O ATOM 1199 CB GLU A 93 -12.253 7.874 0.252 1.00 10.00 C ATOM 1200 CG GLU A 93 -10.817 7.677 0.703 1.00 10.00 C ATOM 1201 CD GLU A 93 -10.552 8.277 2.067 1.00 10.00 C ATOM 1202 OE1 GLU A 93 -11.062 7.736 3.071 1.00 10.00 O ATOM 1203 OE2 GLU A 93 -9.834 9.296 2.138 1.00 10.00 O ATOM 0 H GLU A 93 -12.525 5.584 -0.683 1.00 10.00 H new ATOM 0 HA GLU A 93 -13.063 6.764 1.907 1.00 10.00 H new ATOM 0 HB2 GLU A 93 -12.293 7.826 -0.836 1.00 10.00 H new ATOM 0 HB3 GLU A 93 -12.581 8.873 0.539 1.00 10.00 H new ATOM 0 HG2 GLU A 93 -10.590 6.611 0.728 1.00 10.00 H new ATOM 0 HG3 GLU A 93 -10.145 8.129 -0.026 1.00 10.00 H new ATOM 1210 N GLN A 94 -15.089 8.331 1.284 1.00 10.00 N ATOM 1211 CA GLN A 94 -16.438 8.852 1.126 1.00 10.00 C ATOM 1212 C GLN A 94 -16.501 9.761 -0.098 1.00 10.00 C ATOM 1213 O GLN A 94 -17.557 9.930 -0.712 1.00 10.00 O ATOM 1214 CB GLN A 94 -16.864 9.622 2.375 1.00 10.00 C ATOM 1215 CG GLN A 94 -18.371 9.777 2.506 1.00 10.00 C ATOM 1216 CD GLN A 94 -18.771 11.114 3.098 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -18.111 12.128 2.873 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -19.857 11.126 3.851 1.00 10.00 N ATOM 0 H GLN A 94 -14.520 8.831 1.968 1.00 10.00 H new ATOM 0 HA GLN A 94 -17.123 8.016 0.986 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -16.481 9.109 3.257 1.00 10.00 H new ATOM 0 HB3 GLN A 94 -16.405 10.610 2.357 1.00 10.00 H new ATOM 0 HG2 GLN A 94 -18.830 9.667 1.524 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -18.762 8.975 3.132 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -20.375 10.262 4.012 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -20.177 11.999 4.271 1.00 10.00 H new ATOM 1227 N THR A 95 -15.358 10.343 -0.438 1.00 10.00 N ATOM 1228 CA THR A 95 -15.248 11.227 -1.587 1.00 10.00 C ATOM 1229 C THR A 95 -15.389 10.440 -2.886 1.00 10.00 C ATOM 1230 O THR A 95 -16.077 10.863 -3.815 1.00 10.00 O ATOM 1231 CB THR A 95 -13.890 11.950 -1.580 1.00 10.00 C ATOM 1232 OG1 THR A 95 -12.858 11.030 -1.199 1.00 10.00 O ATOM 1233 CG2 THR A 95 -13.908 13.128 -0.619 1.00 10.00 C ATOM 0 H THR A 95 -14.485 10.215 0.074 1.00 10.00 H new ATOM 0 HA THR A 95 -16.051 11.962 -1.523 1.00 10.00 H new ATOM 0 HB THR A 95 -13.694 12.328 -2.583 1.00 10.00 H new ATOM 0 HG1 THR A 95 -11.993 11.491 -1.197 1.00 10.00 H new ATOM 0 HG21 THR A 95 -12.937 13.623 -0.632 1.00 10.00 H new ATOM 0 HG22 THR A 95 -14.680 13.835 -0.924 1.00 10.00 H new ATOM 0 HG23 THR A 95 -14.120 12.772 0.389 1.00 10.00 H new ATOM 1241 N GLY A 96 -14.724 9.294 -2.940 1.00 10.00 N ATOM 1242 CA GLY A 96 -14.782 8.454 -4.118 1.00 10.00 C ATOM 1243 C GLY A 96 -13.660 8.747 -5.093 1.00 10.00 C ATOM 1244 O GLY A 96 -13.603 8.164 -6.179 1.00 10.00 O ATOM 0 H GLY A 96 -14.143 8.930 -2.185 1.00 10.00 H new ATOM 0 HA2 GLY A 96 -14.734 7.407 -3.817 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -15.740 8.599 -4.617 1.00 10.00 H new ATOM 1248 N GLY A 97 -12.763 9.646 -4.711 1.00 10.00 N ATOM 1249 CA GLY A 97 -11.649 9.997 -5.574 1.00 10.00 C ATOM 1250 C GLY A 97 -11.554 11.489 -5.826 1.00 10.00 C ATOM 1251 O GLY A 97 -11.287 12.264 -4.903 1.00 10.00 O ATOM 0 H GLY A 97 -12.786 10.140 -3.819 1.00 10.00 H new ATOM 0 HA2 GLY A 97 -10.720 9.649 -5.122 1.00 10.00 H new ATOM 0 HA3 GLY A 97 -11.754 9.477 -6.526 1.00 10.00 H new ATOM 1256 N ASP B 195 -6.887 -21.103 -3.777 1.00 10.00 N ATOM 1257 CA ASP B 195 -7.037 -19.710 -3.377 1.00 10.00 C ATOM 1258 C ASP B 195 -6.332 -18.810 -4.387 1.00 10.00 C ATOM 1259 O ASP B 195 -5.786 -19.295 -5.377 1.00 10.00 O ATOM 1260 CB ASP B 195 -6.456 -19.507 -1.976 1.00 10.00 C ATOM 1261 CG ASP B 195 -6.984 -18.258 -1.298 1.00 10.00 C ATOM 1262 OD1 ASP B 195 -8.146 -18.268 -0.844 1.00 10.00 O ATOM 1263 OD2 ASP B 195 -6.236 -17.264 -1.203 1.00 10.00 O ATOM 0 HA ASP B 195 -8.095 -19.449 -3.353 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -6.690 -20.376 -1.361 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -5.370 -19.447 -2.043 1.00 10.00 H new ATOM 1268 N THR B 196 -6.358 -17.510 -4.162 1.00 10.00 N ATOM 1269 CA THR B 196 -5.716 -16.584 -5.067 1.00 10.00 C ATOM 1270 C THR B 196 -4.667 -15.745 -4.342 1.00 10.00 C ATOM 1271 O THR B 196 -4.962 -15.087 -3.346 1.00 10.00 O ATOM 1272 CB THR B 196 -6.770 -15.658 -5.709 1.00 10.00 C ATOM 1273 OG1 THR B 196 -7.847 -16.447 -6.236 1.00 10.00 O ATOM 1274 CG2 THR B 196 -6.168 -14.815 -6.821 1.00 10.00 C ATOM 0 H THR B 196 -6.816 -17.075 -3.361 1.00 10.00 H new ATOM 0 HA THR B 196 -5.216 -17.162 -5.845 1.00 10.00 H new ATOM 0 HB THR B 196 -7.142 -14.985 -4.937 1.00 10.00 H new ATOM 0 HG1 THR B 196 -8.516 -15.857 -6.642 1.00 10.00 H new ATOM 0 HG21 THR B 196 -6.939 -14.175 -7.250 1.00 10.00 H new ATOM 0 HG22 THR B 196 -5.367 -14.197 -6.416 1.00 10.00 H new ATOM 0 HG23 THR B 196 -5.766 -15.468 -7.595 1.00 10.00 H new ATOM 1282 N ALA B 197 -3.441 -15.790 -4.840 1.00 10.00 N ATOM 1283 CA ALA B 197 -2.358 -15.010 -4.278 1.00 10.00 C ATOM 1284 C ALA B 197 -1.764 -14.148 -5.374 1.00 10.00 C ATOM 1285 O ALA B 197 -1.393 -14.658 -6.433 1.00 10.00 O ATOM 1286 CB ALA B 197 -1.287 -15.905 -3.659 1.00 10.00 C ATOM 0 H ALA B 197 -3.174 -16.365 -5.639 1.00 10.00 H new ATOM 0 HA ALA B 197 -2.749 -14.380 -3.479 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -0.490 -15.287 -3.247 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -1.729 -16.505 -2.863 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -0.877 -16.564 -4.424 1.00 10.00 H new ATOM 1292 N GLY B 198 -1.676 -12.860 -5.135 1.00 10.00 N ATOM 1293 CA GLY B 198 -1.124 -11.969 -6.129 1.00 10.00 C ATOM 1294 C GLY B 198 0.071 -11.224 -5.605 1.00 10.00 C ATOM 1295 O GLY B 198 0.006 -10.632 -4.526 1.00 10.00 O ATOM 0 H GLY B 198 -1.976 -12.409 -4.271 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -0.838 -12.541 -7.012 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -1.887 -11.257 -6.444 1.00 10.00 H new ATOM 1299 N CYS B 199 1.162 -11.237 -6.350 1.00 10.00 N ATOM 1300 CA CYS B 199 2.346 -10.522 -5.929 1.00 10.00 C ATOM 1301 C CYS B 199 2.652 -9.422 -6.925 1.00 10.00 C ATOM 1302 O CYS B 199 2.763 -9.660 -8.126 1.00 10.00 O ATOM 1303 CB CYS B 199 3.533 -11.473 -5.827 1.00 10.00 C ATOM 1304 SG CYS B 199 3.287 -12.828 -4.655 1.00 10.00 S ATOM 0 H CYS B 199 1.250 -11.730 -7.239 1.00 10.00 H new ATOM 0 HA CYS B 199 2.166 -10.085 -4.947 1.00 10.00 H new ATOM 0 HB2 CYS B 199 3.737 -11.891 -6.813 1.00 10.00 H new ATOM 0 HB3 CYS B 199 4.416 -10.906 -5.532 1.00 10.00 H new ATOM 0 HG CYS B 199 4.344 -13.584 -4.637 1.00 10.00 H new ATOM 1310 N ILE B 200 2.778 -8.218 -6.411 1.00 10.00 N ATOM 1311 CA ILE B 200 3.061 -7.061 -7.230 1.00 10.00 C ATOM 1312 C ILE B 200 4.347 -6.382 -6.769 1.00 10.00 C ATOM 1313 O ILE B 200 4.551 -6.173 -5.573 1.00 10.00 O ATOM 1314 CB ILE B 200 1.869 -6.071 -7.220 1.00 10.00 C ATOM 1315 CG1 ILE B 200 2.242 -4.740 -7.885 1.00 10.00 C ATOM 1316 CG2 ILE B 200 1.362 -5.846 -5.802 1.00 10.00 C ATOM 1317 CD1 ILE B 200 1.071 -3.791 -8.034 1.00 10.00 C ATOM 0 H ILE B 200 2.687 -8.014 -5.416 1.00 10.00 H new ATOM 0 HA ILE B 200 3.204 -7.394 -8.258 1.00 10.00 H new ATOM 0 HB ILE B 200 1.063 -6.518 -7.803 1.00 10.00 H new ATOM 0 HG12 ILE B 200 3.021 -4.254 -7.297 1.00 10.00 H new ATOM 0 HG13 ILE B 200 2.665 -4.941 -8.869 1.00 10.00 H new ATOM 0 HG21 ILE B 200 0.525 -5.148 -5.821 1.00 10.00 H new ATOM 0 HG22 ILE B 200 1.033 -6.795 -5.378 1.00 10.00 H new ATOM 0 HG23 ILE B 200 2.164 -5.434 -5.190 1.00 10.00 H new ATOM 0 HD11 ILE B 200 1.407 -2.871 -8.512 1.00 10.00 H new ATOM 0 HD12 ILE B 200 0.300 -4.258 -8.647 1.00 10.00 H new ATOM 0 HD13 ILE B 200 0.662 -3.561 -7.050 1.00 10.00 H new ATOM 1329 N VAL B 201 5.215 -6.056 -7.718 1.00 10.00 N ATOM 1330 CA VAL B 201 6.486 -5.411 -7.416 1.00 10.00 C ATOM 1331 C VAL B 201 6.523 -4.019 -8.040 1.00 10.00 C ATOM 1332 O VAL B 201 6.127 -3.821 -9.192 1.00 10.00 O ATOM 1333 CB VAL B 201 7.698 -6.237 -7.914 1.00 10.00 C ATOM 1334 CG1 VAL B 201 7.752 -6.257 -9.437 1.00 10.00 C ATOM 1335 CG2 VAL B 201 8.996 -5.694 -7.324 1.00 10.00 C ATOM 0 H VAL B 201 5.060 -6.230 -8.711 1.00 10.00 H new ATOM 0 HA VAL B 201 6.562 -5.337 -6.331 1.00 10.00 H new ATOM 0 HB VAL B 201 7.576 -7.265 -7.572 1.00 10.00 H new ATOM 0 HG11 VAL B 201 8.611 -6.843 -9.763 1.00 10.00 H new ATOM 0 HG12 VAL B 201 6.838 -6.705 -9.828 1.00 10.00 H new ATOM 0 HG13 VAL B 201 7.845 -5.237 -9.811 1.00 10.00 H new ATOM 0 HG21 VAL B 201 9.836 -6.287 -7.685 1.00 10.00 H new ATOM 0 HG22 VAL B 201 9.128 -4.656 -7.628 1.00 10.00 H new ATOM 0 HG23 VAL B 201 8.953 -5.751 -6.236 1.00 10.00 H new ATOM 1345 N ILE B 202 6.934 -3.048 -7.256 1.00 10.00 N ATOM 1346 CA ILE B 202 6.997 -1.674 -7.704 1.00 10.00 C ATOM 1347 C ILE B 202 8.415 -1.117 -7.576 1.00 10.00 C ATOM 1348 O ILE B 202 9.069 -1.324 -6.553 1.00 10.00 O ATOM 1349 CB ILE B 202 6.005 -0.839 -6.869 1.00 10.00 C ATOM 1350 CG1 ILE B 202 5.870 0.566 -7.437 1.00 10.00 C ATOM 1351 CG2 ILE B 202 6.419 -0.798 -5.398 1.00 10.00 C ATOM 1352 CD1 ILE B 202 4.930 0.645 -8.623 1.00 10.00 C ATOM 0 H ILE B 202 7.234 -3.188 -6.291 1.00 10.00 H new ATOM 0 HA ILE B 202 6.725 -1.624 -8.758 1.00 10.00 H new ATOM 0 HB ILE B 202 5.030 -1.322 -6.925 1.00 10.00 H new ATOM 0 HG12 ILE B 202 5.512 1.234 -6.654 1.00 10.00 H new ATOM 0 HG13 ILE B 202 6.854 0.925 -7.738 1.00 10.00 H new ATOM 0 HG21 ILE B 202 5.701 -0.202 -4.834 1.00 10.00 H new ATOM 0 HG22 ILE B 202 6.443 -1.812 -4.998 1.00 10.00 H new ATOM 0 HG23 ILE B 202 7.409 -0.351 -5.311 1.00 10.00 H new ATOM 0 HD11 ILE B 202 4.879 1.674 -8.979 1.00 10.00 H new ATOM 0 HD12 ILE B 202 5.298 0.002 -9.422 1.00 10.00 H new ATOM 0 HD13 ILE B 202 3.935 0.316 -8.322 1.00 10.00 H new