USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 678 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 78 THR OG1 : rot 69:sc= 1.77 USER MOD Set 1.2: A 80 THR OG1 : rot 83:sc= 0.889 USER MOD Set 1.3: A 94 LYS NZ :NH3+ -167:sc= 1.63 (180deg=0.0686) USER MOD Set 2.1: A 83 CYS SG : rot 40:sc= -1.56 USER MOD Set 2.2: A 86 HIS : +bothHN:sc= 0.359 K(o=-1.2,f=-5.9!) USER MOD Set 3.1: A 55 LYS NZ :NH3+ -141:sc= 2.72 (180deg=1.26) USER MOD Set 3.2: A 58 HIS : no HE2:sc= -0.497 K(o=2.2,f=-7.3!) USER MOD Set 3.3: A 82 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 33 ASN : amide:sc= -0.212 K(o=-5,f=-11!) USER MOD Set 4.2: A 37 SER OG : rot 180:sc= 0.018 USER MOD Set 4.3: A 39 HIS : +bothHN:sc= -4.84 K(o=-5,f=-8.6!) USER MOD Set 5.1: A 19 SER OG : rot 180:sc= 0.0205 USER MOD Set 5.2: A 20 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 9 SER OG : rot 88:sc= 1.24 USER MOD Set 6.2: A 11 SER OG : rot 180:sc= 0.0421 USER MOD Single : A 1 ALA N :NH3+ 168:sc= 1.17 (180deg=0.758) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.331 F(o=-0.93!,f=-0.33) USER MOD Single : A 4 THR OG1 : rot -170:sc= -0.954 USER MOD Single : A 6 LYS NZ :NH3+ -148:sc= 2.43 (180deg=2.32) USER MOD Single : A 7 MET CE :methyl -178:sc= -0.0109 (180deg=-0.0335) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -154:sc= 0.117 (180deg=-1.89!) USER MOD Single : A 30 LYS NZ :NH3+ 169:sc= 2.65 (180deg=1.94) USER MOD Single : A 34 ASN : amide:sc= -1.01 K(o=-1,f=-2) USER MOD Single : A 35 LYS NZ :NH3+ -168:sc= 2.44 (180deg=1.81) USER MOD Single : A 40 ASN : amide:sc= 0.314 K(o=0.31,f=-8.2!) USER MOD Single : A 52 THR OG1 : rot -22:sc= 0.903 USER MOD Single : A 57 SER OG : rot 180:sc= 0.332 USER MOD Single : A 59 LYS NZ :NH3+ -169:sc= 2.22 (180deg=1.8) USER MOD Single : A 68 SER OG : rot -48:sc= 1.25 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 111:sc= 0.535 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.282 USER MOD Single : A 74 THR OG1 : rot -39:sc= 0.812 USER MOD Single : A 79 TYR OH : rot -82:sc= 1.05 USER MOD Single : A 81 TYR OH : rot -160:sc= -0.433 USER MOD Single : A 91 MET CE :methyl 177:sc= 0 (180deg=-0.0157) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.731 -1.665 -15.708 1.00 0.00 N ATOM 2 CA ALA A 1 2.978 -3.119 -15.716 1.00 0.00 C ATOM 3 C ALA A 1 3.266 -3.650 -14.318 1.00 0.00 C ATOM 4 O ALA A 1 4.131 -3.074 -13.667 1.00 0.00 O ATOM 5 CB ALA A 1 4.129 -3.457 -16.670 1.00 0.00 C ATOM 0 H1 ALA A 1 2.741 -1.306 -16.684 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.804 -1.473 -15.277 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.474 -1.190 -15.157 1.00 0.00 H new ATOM 0 HA ALA A 1 2.070 -3.608 -16.070 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.301 -4.533 -16.666 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.872 -3.134 -17.679 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.034 -2.944 -16.344 1.00 0.00 H new ATOM 13 N ASN A 2 2.498 -4.645 -13.835 1.00 0.00 N ATOM 14 CA ASN A 2 2.601 -5.370 -12.559 1.00 0.00 C ATOM 15 C ASN A 2 3.697 -4.863 -11.587 1.00 0.00 C ATOM 16 O ASN A 2 4.824 -5.368 -11.602 1.00 0.00 O ATOM 17 CB ASN A 2 2.815 -6.815 -13.029 1.00 0.00 C ATOM 18 CG ASN A 2 1.507 -7.353 -13.567 1.00 0.00 C ATOM 19 OD1 ASN A 2 0.619 -7.664 -12.657 1.00 0.00 O flip ATOM 20 ND2 ASN A 2 1.253 -7.388 -14.760 1.00 0.00 N flip ATOM 0 H ASN A 2 1.713 -4.994 -14.385 1.00 0.00 H new ATOM 0 HA ASN A 2 1.717 -5.231 -11.937 1.00 0.00 H new ATOM 0 HB2 ASN A 2 3.584 -6.851 -13.801 1.00 0.00 H new ATOM 0 HB3 ASN A 2 3.165 -7.433 -12.202 1.00 0.00 H new ATOM 0 HD21 ASN A 2 1.970 -7.139 -15.442 1.00 0.00 H new ATOM 0 HD22 ASN A 2 0.324 -7.666 -15.076 1.00 0.00 H new ATOM 27 N ALA A 3 3.349 -3.939 -10.684 1.00 0.00 N ATOM 28 CA ALA A 3 4.295 -3.334 -9.746 1.00 0.00 C ATOM 29 C ALA A 3 4.672 -4.126 -8.474 1.00 0.00 C ATOM 30 O ALA A 3 4.280 -5.269 -8.267 1.00 0.00 O ATOM 31 CB ALA A 3 3.815 -1.914 -9.430 1.00 0.00 C ATOM 0 H ALA A 3 2.396 -3.589 -10.585 1.00 0.00 H new ATOM 0 HA ALA A 3 5.253 -3.335 -10.266 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.507 -1.443 -8.731 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.775 -1.330 -10.350 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.821 -1.957 -8.984 1.00 0.00 H new ATOM 37 N THR A 4 5.510 -3.537 -7.621 1.00 0.00 N ATOM 38 CA THR A 4 6.021 -4.140 -6.385 1.00 0.00 C ATOM 39 C THR A 4 6.491 -2.990 -5.500 1.00 0.00 C ATOM 40 O THR A 4 7.347 -2.232 -5.946 1.00 0.00 O ATOM 41 CB THR A 4 7.229 -5.042 -6.702 1.00 0.00 C ATOM 42 OG1 THR A 4 6.874 -5.984 -7.677 1.00 0.00 O ATOM 43 CG2 THR A 4 7.762 -5.816 -5.499 1.00 0.00 C ATOM 0 H THR A 4 5.866 -2.593 -7.775 1.00 0.00 H new ATOM 0 HA THR A 4 5.251 -4.740 -5.900 1.00 0.00 H new ATOM 0 HB THR A 4 8.013 -4.366 -7.042 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.587 -6.651 -7.762 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.611 -6.426 -5.806 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.079 -5.115 -4.727 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.976 -6.460 -5.104 1.00 0.00 H new ATOM 51 N VAL A 5 5.936 -2.812 -4.295 1.00 0.00 N ATOM 52 CA VAL A 5 6.384 -1.756 -3.374 1.00 0.00 C ATOM 53 C VAL A 5 6.813 -2.376 -2.043 1.00 0.00 C ATOM 54 O VAL A 5 6.503 -3.511 -1.690 1.00 0.00 O ATOM 55 CB VAL A 5 5.350 -0.622 -3.252 1.00 0.00 C ATOM 56 CG1 VAL A 5 5.263 0.201 -1.960 1.00 0.00 C ATOM 57 CG2 VAL A 5 4.850 0.049 -4.541 1.00 0.00 C ATOM 0 H VAL A 5 5.174 -3.386 -3.933 1.00 0.00 H new ATOM 0 HA VAL A 5 7.267 -1.266 -3.784 1.00 0.00 H new ATOM 0 HB VAL A 5 4.523 -1.297 -3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.479 0.952 -2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.030 -0.458 -1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.218 0.695 -1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.128 0.826 -4.290 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.693 0.494 -5.070 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.374 -0.696 -5.178 1.00 0.00 H new ATOM 67 N LYS A 6 7.606 -1.631 -1.296 1.00 0.00 N ATOM 68 CA LYS A 6 8.176 -2.029 -0.022 1.00 0.00 C ATOM 69 C LYS A 6 7.546 -1.197 1.087 1.00 0.00 C ATOM 70 O LYS A 6 7.756 0.004 1.101 1.00 0.00 O ATOM 71 CB LYS A 6 9.688 -1.773 -0.093 1.00 0.00 C ATOM 72 CG LYS A 6 10.461 -2.523 -1.190 1.00 0.00 C ATOM 73 CD LYS A 6 11.873 -1.948 -1.400 1.00 0.00 C ATOM 74 CE LYS A 6 12.734 -2.010 -0.135 1.00 0.00 C ATOM 75 NZ LYS A 6 13.799 -0.987 -0.120 1.00 0.00 N ATOM 0 H LYS A 6 7.883 -0.689 -1.573 1.00 0.00 H new ATOM 0 HA LYS A 6 7.986 -3.082 0.187 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.847 -0.704 -0.234 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.124 -2.035 0.871 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.535 -3.577 -0.924 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.905 -2.469 -2.126 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.369 -2.499 -2.199 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.793 -0.912 -1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.097 -1.879 0.740 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.185 -2.999 -0.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.628 -1.356 0.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.068 -0.752 -1.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.452 -0.131 0.359 1.00 0.00 H new ATOM 89 N MET A 7 6.745 -1.775 1.980 1.00 0.00 N ATOM 90 CA MET A 7 6.110 -1.115 3.138 1.00 0.00 C ATOM 91 C MET A 7 7.233 -0.915 4.152 1.00 0.00 C ATOM 92 O MET A 7 7.814 -1.906 4.569 1.00 0.00 O ATOM 93 CB MET A 7 4.983 -2.002 3.675 1.00 0.00 C ATOM 94 CG MET A 7 3.821 -2.226 2.713 1.00 0.00 C ATOM 95 SD MET A 7 2.589 -3.337 3.444 1.00 0.00 S ATOM 96 CE MET A 7 2.382 -4.520 2.083 1.00 0.00 C ATOM 0 H MET A 7 6.504 -2.764 1.920 1.00 0.00 H new ATOM 0 HA MET A 7 5.650 -0.158 2.891 1.00 0.00 H new ATOM 0 HB2 MET A 7 5.402 -2.971 3.946 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.595 -1.555 4.591 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.356 -1.271 2.467 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.192 -2.650 1.780 1.00 0.00 H new ATOM 0 HE1 MET A 7 1.626 -5.257 2.354 1.00 0.00 H new ATOM 0 HE2 MET A 7 2.066 -3.990 1.185 1.00 0.00 H new ATOM 0 HE3 MET A 7 3.329 -5.025 1.892 1.00 0.00 H new ATOM 106 N GLY A 8 7.616 0.326 4.497 1.00 0.00 N ATOM 107 CA GLY A 8 8.730 0.570 5.431 1.00 0.00 C ATOM 108 C GLY A 8 10.023 0.820 4.640 1.00 0.00 C ATOM 109 O GLY A 8 10.691 -0.132 4.232 1.00 0.00 O ATOM 0 H GLY A 8 7.172 1.174 4.145 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.506 1.430 6.062 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.857 -0.287 6.093 1.00 0.00 H new ATOM 113 N SER A 9 10.370 2.089 4.391 1.00 0.00 N ATOM 114 CA SER A 9 11.555 2.429 3.604 1.00 0.00 C ATOM 115 C SER A 9 12.823 1.768 4.160 1.00 0.00 C ATOM 116 O SER A 9 12.952 1.606 5.375 1.00 0.00 O ATOM 117 CB SER A 9 11.735 3.942 3.469 1.00 0.00 C ATOM 118 OG SER A 9 12.837 4.261 2.632 1.00 0.00 O ATOM 0 H SER A 9 9.844 2.896 4.725 1.00 0.00 H new ATOM 0 HA SER A 9 11.390 2.028 2.604 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.826 4.383 3.060 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.886 4.381 4.455 1.00 0.00 H new ATOM 0 HG SER A 9 12.539 4.298 1.699 1.00 0.00 H new ATOM 124 N ASP A 10 13.795 1.435 3.297 1.00 0.00 N ATOM 125 CA ASP A 10 15.050 0.775 3.702 1.00 0.00 C ATOM 126 C ASP A 10 15.847 1.518 4.790 1.00 0.00 C ATOM 127 O ASP A 10 16.642 0.914 5.515 1.00 0.00 O ATOM 128 CB ASP A 10 15.935 0.472 2.484 1.00 0.00 C ATOM 129 CG ASP A 10 16.253 -1.019 2.472 1.00 0.00 C ATOM 130 OD1 ASP A 10 17.153 -1.449 3.226 1.00 0.00 O ATOM 131 OD2 ASP A 10 15.482 -1.743 1.802 1.00 0.00 O ATOM 0 H ASP A 10 13.734 1.616 2.295 1.00 0.00 H new ATOM 0 HA ASP A 10 14.739 -0.162 4.164 1.00 0.00 H new ATOM 0 HB2 ASP A 10 15.424 0.757 1.565 1.00 0.00 H new ATOM 0 HB3 ASP A 10 16.855 1.055 2.531 1.00 0.00 H new ATOM 136 N SER A 11 15.618 2.824 4.915 1.00 0.00 N ATOM 137 CA SER A 11 16.205 3.725 5.906 1.00 0.00 C ATOM 138 C SER A 11 15.574 3.522 7.287 1.00 0.00 C ATOM 139 O SER A 11 16.119 3.995 8.289 1.00 0.00 O ATOM 140 CB SER A 11 15.968 5.159 5.425 1.00 0.00 C ATOM 141 OG SER A 11 14.586 5.304 5.136 1.00 0.00 O ATOM 0 H SER A 11 14.978 3.312 4.288 1.00 0.00 H new ATOM 0 HA SER A 11 17.271 3.518 6.005 1.00 0.00 H new ATOM 0 HB2 SER A 11 16.274 5.873 6.190 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.566 5.367 4.538 1.00 0.00 H new ATOM 0 HG SER A 11 14.410 6.217 4.827 1.00 0.00 H new ATOM 147 N GLY A 12 14.450 2.791 7.343 1.00 0.00 N ATOM 148 CA GLY A 12 13.700 2.535 8.545 1.00 0.00 C ATOM 149 C GLY A 12 12.837 3.750 8.808 1.00 0.00 C ATOM 150 O GLY A 12 13.048 4.485 9.766 1.00 0.00 O ATOM 0 H GLY A 12 14.039 2.356 6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.083 1.644 8.430 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.371 2.352 9.384 1.00 0.00 H new ATOM 154 N ALA A 13 11.878 3.967 7.906 1.00 0.00 N ATOM 155 CA ALA A 13 10.919 5.048 7.994 1.00 0.00 C ATOM 156 C ALA A 13 9.568 4.514 7.536 1.00 0.00 C ATOM 157 O ALA A 13 9.472 3.808 6.531 1.00 0.00 O ATOM 158 CB ALA A 13 11.397 6.239 7.152 1.00 0.00 C ATOM 0 H ALA A 13 11.751 3.380 7.082 1.00 0.00 H new ATOM 0 HA ALA A 13 10.821 5.409 9.018 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.671 7.049 7.222 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.362 6.583 7.524 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.498 5.932 6.111 1.00 0.00 H new ATOM 164 N LEU A 14 8.524 4.846 8.300 1.00 0.00 N ATOM 165 CA LEU A 14 7.125 4.499 8.056 1.00 0.00 C ATOM 166 C LEU A 14 6.577 5.182 6.796 1.00 0.00 C ATOM 167 O LEU A 14 5.740 6.074 6.840 1.00 0.00 O ATOM 168 CB LEU A 14 6.253 4.763 9.325 1.00 0.00 C ATOM 169 CG LEU A 14 6.466 5.983 10.261 1.00 0.00 C ATOM 170 CD1 LEU A 14 7.531 5.795 11.349 1.00 0.00 C ATOM 171 CD2 LEU A 14 6.702 7.319 9.555 1.00 0.00 C ATOM 0 H LEU A 14 8.641 5.394 9.152 1.00 0.00 H new ATOM 0 HA LEU A 14 7.073 3.429 7.857 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.219 4.812 8.984 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.341 3.875 9.951 1.00 0.00 H new ATOM 0 HG LEU A 14 5.492 6.031 10.748 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.603 6.703 11.948 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.253 4.958 11.990 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.495 5.590 10.883 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.839 8.104 10.298 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.594 7.249 8.933 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.841 7.557 8.930 1.00 0.00 H new ATOM 183 N VAL A 15 7.065 4.723 5.644 1.00 0.00 N ATOM 184 CA VAL A 15 6.671 5.166 4.322 1.00 0.00 C ATOM 185 C VAL A 15 6.984 4.013 3.379 1.00 0.00 C ATOM 186 O VAL A 15 8.032 3.381 3.495 1.00 0.00 O ATOM 187 CB VAL A 15 7.378 6.486 3.938 1.00 0.00 C ATOM 188 CG1 VAL A 15 8.912 6.418 3.956 1.00 0.00 C ATOM 189 CG2 VAL A 15 6.906 6.994 2.566 1.00 0.00 C ATOM 0 H VAL A 15 7.781 3.997 5.614 1.00 0.00 H new ATOM 0 HA VAL A 15 5.608 5.404 4.271 1.00 0.00 H new ATOM 0 HB VAL A 15 7.088 7.188 4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.323 7.388 3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.253 6.157 4.958 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.251 5.661 3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.422 7.924 2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.130 6.247 1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.831 7.172 2.594 1.00 0.00 H new ATOM 199 N PHE A 16 6.035 3.684 2.509 1.00 0.00 N ATOM 200 CA PHE A 16 6.113 2.665 1.479 1.00 0.00 C ATOM 201 C PHE A 16 6.844 3.174 0.245 1.00 0.00 C ATOM 202 O PHE A 16 6.769 4.346 -0.094 1.00 0.00 O ATOM 203 CB PHE A 16 4.709 2.078 1.228 1.00 0.00 C ATOM 204 CG PHE A 16 3.496 2.953 1.464 1.00 0.00 C ATOM 205 CD1 PHE A 16 3.480 4.312 1.113 1.00 0.00 C ATOM 206 CD2 PHE A 16 2.392 2.393 2.133 1.00 0.00 C ATOM 207 CE1 PHE A 16 2.341 5.089 1.362 1.00 0.00 C ATOM 208 CE2 PHE A 16 1.275 3.180 2.439 1.00 0.00 C ATOM 209 CZ PHE A 16 1.240 4.519 2.021 1.00 0.00 C ATOM 0 H PHE A 16 5.131 4.157 2.508 1.00 0.00 H new ATOM 0 HA PHE A 16 6.728 1.830 1.814 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.674 1.739 0.193 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.605 1.194 1.857 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.347 4.759 0.650 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.406 1.350 2.412 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.310 6.122 1.048 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.448 2.760 2.992 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.359 5.116 2.208 1.00 0.00 H new ATOM 219 N GLU A 17 7.590 2.294 -0.425 1.00 0.00 N ATOM 220 CA GLU A 17 8.398 2.624 -1.603 1.00 0.00 C ATOM 221 C GLU A 17 8.281 1.561 -2.713 1.00 0.00 C ATOM 222 O GLU A 17 8.855 0.476 -2.582 1.00 0.00 O ATOM 223 CB GLU A 17 9.859 2.917 -1.195 1.00 0.00 C ATOM 224 CG GLU A 17 10.648 1.810 -0.477 1.00 0.00 C ATOM 225 CD GLU A 17 11.981 2.258 0.134 1.00 0.00 C ATOM 226 OE1 GLU A 17 12.212 3.483 0.276 1.00 0.00 O ATOM 227 OE2 GLU A 17 12.737 1.365 0.600 1.00 0.00 O ATOM 0 H GLU A 17 7.651 1.311 -0.159 1.00 0.00 H new ATOM 0 HA GLU A 17 7.996 3.538 -2.041 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.409 3.187 -2.097 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.855 3.795 -0.549 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.024 1.394 0.314 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.842 1.005 -1.186 1.00 0.00 H new ATOM 234 N PRO A 18 7.502 1.830 -3.795 1.00 0.00 N ATOM 235 CA PRO A 18 6.698 3.050 -4.009 1.00 0.00 C ATOM 236 C PRO A 18 5.401 3.498 -3.268 1.00 0.00 C ATOM 237 O PRO A 18 4.355 2.844 -3.257 1.00 0.00 O ATOM 238 CB PRO A 18 6.489 3.197 -5.510 1.00 0.00 C ATOM 239 CG PRO A 18 7.384 2.167 -6.189 1.00 0.00 C ATOM 240 CD PRO A 18 7.865 1.231 -5.080 1.00 0.00 C ATOM 0 HA PRO A 18 7.346 3.725 -3.451 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.444 3.032 -5.772 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.744 4.205 -5.838 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.835 1.617 -6.953 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.226 2.649 -6.686 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.406 0.248 -5.185 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.944 1.088 -5.143 1.00 0.00 H new ATOM 248 N SER A 19 5.467 4.743 -2.749 1.00 0.00 N ATOM 249 CA SER A 19 4.438 5.521 -2.028 1.00 0.00 C ATOM 250 C SER A 19 3.416 6.191 -2.984 1.00 0.00 C ATOM 251 O SER A 19 2.410 6.782 -2.580 1.00 0.00 O ATOM 252 CB SER A 19 5.072 6.675 -1.230 1.00 0.00 C ATOM 253 OG SER A 19 5.956 7.412 -2.054 1.00 0.00 O ATOM 0 H SER A 19 6.329 5.282 -2.833 1.00 0.00 H new ATOM 0 HA SER A 19 3.942 4.798 -1.381 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.292 7.331 -0.843 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.611 6.279 -0.369 1.00 0.00 H new ATOM 0 HG SER A 19 6.352 8.144 -1.537 1.00 0.00 H new ATOM 259 N THR A 20 3.751 6.181 -4.276 1.00 0.00 N ATOM 260 CA THR A 20 3.037 6.694 -5.442 1.00 0.00 C ATOM 261 C THR A 20 3.464 5.794 -6.602 1.00 0.00 C ATOM 262 O THR A 20 4.662 5.677 -6.864 1.00 0.00 O ATOM 263 CB THR A 20 3.420 8.152 -5.756 1.00 0.00 C ATOM 264 OG1 THR A 20 3.661 8.902 -4.585 1.00 0.00 O ATOM 265 CG2 THR A 20 2.315 8.859 -6.540 1.00 0.00 C ATOM 0 H THR A 20 4.636 5.762 -4.561 1.00 0.00 H new ATOM 0 HA THR A 20 1.961 6.687 -5.268 1.00 0.00 H new ATOM 0 HB THR A 20 4.333 8.098 -6.349 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.902 9.820 -4.828 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.615 9.886 -6.746 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.144 8.335 -7.480 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.396 8.860 -5.953 1.00 0.00 H new ATOM 273 N VAL A 21 2.515 5.111 -7.250 1.00 0.00 N ATOM 274 CA VAL A 21 2.833 4.181 -8.348 1.00 0.00 C ATOM 275 C VAL A 21 1.868 4.333 -9.513 1.00 0.00 C ATOM 276 O VAL A 21 0.755 4.830 -9.336 1.00 0.00 O ATOM 277 CB VAL A 21 2.940 2.725 -7.816 1.00 0.00 C ATOM 278 CG1 VAL A 21 1.595 2.089 -7.455 1.00 0.00 C ATOM 279 CG2 VAL A 21 3.661 1.812 -8.818 1.00 0.00 C ATOM 0 H VAL A 21 1.520 5.182 -7.036 1.00 0.00 H new ATOM 0 HA VAL A 21 3.813 4.439 -8.751 1.00 0.00 H new ATOM 0 HB VAL A 21 3.519 2.813 -6.897 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.758 1.074 -7.092 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.111 2.679 -6.677 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.957 2.060 -8.338 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.718 0.801 -8.414 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.109 1.796 -9.758 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.668 2.189 -8.995 1.00 0.00 H new ATOM 289 N THR A 22 2.309 3.919 -10.704 1.00 0.00 N ATOM 290 CA THR A 22 1.521 4.049 -11.922 1.00 0.00 C ATOM 291 C THR A 22 1.502 2.724 -12.699 1.00 0.00 C ATOM 292 O THR A 22 2.503 2.284 -13.270 1.00 0.00 O ATOM 293 CB THR A 22 2.036 5.284 -12.694 1.00 0.00 C ATOM 294 OG1 THR A 22 1.109 5.627 -13.694 1.00 0.00 O ATOM 295 CG2 THR A 22 3.422 5.147 -13.339 1.00 0.00 C ATOM 0 H THR A 22 3.221 3.486 -10.846 1.00 0.00 H new ATOM 0 HA THR A 22 0.467 4.235 -11.715 1.00 0.00 H new ATOM 0 HB THR A 22 2.144 6.059 -11.935 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.432 6.411 -14.185 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.678 6.074 -13.852 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.164 4.943 -12.567 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.410 4.327 -14.056 1.00 0.00 H new ATOM 303 N ILE A 23 0.338 2.076 -12.653 1.00 0.00 N ATOM 304 CA ILE A 23 0.058 0.812 -13.352 1.00 0.00 C ATOM 305 C ILE A 23 -1.226 0.973 -14.158 1.00 0.00 C ATOM 306 O ILE A 23 -1.778 2.068 -14.199 1.00 0.00 O ATOM 307 CB ILE A 23 0.012 -0.389 -12.368 1.00 0.00 C ATOM 308 CG1 ILE A 23 -0.931 -0.224 -11.160 1.00 0.00 C ATOM 309 CG2 ILE A 23 1.444 -0.686 -11.899 1.00 0.00 C ATOM 310 CD1 ILE A 23 -2.381 -0.494 -11.543 1.00 0.00 C ATOM 0 H ILE A 23 -0.459 2.420 -12.117 1.00 0.00 H new ATOM 0 HA ILE A 23 0.870 0.584 -14.043 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.414 -1.225 -12.923 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.630 -0.907 -10.366 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.841 0.787 -10.762 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.433 -1.527 -11.206 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.065 -0.933 -12.760 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.852 0.192 -11.397 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.018 -0.369 -10.667 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.689 0.207 -12.319 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.475 -1.514 -11.917 1.00 0.00 H new ATOM 322 N LYS A 24 -1.729 -0.075 -14.815 1.00 0.00 N ATOM 323 CA LYS A 24 -2.977 0.030 -15.550 1.00 0.00 C ATOM 324 C LYS A 24 -3.969 -1.084 -15.346 1.00 0.00 C ATOM 325 O LYS A 24 -3.726 -2.060 -14.648 1.00 0.00 O ATOM 326 CB LYS A 24 -2.658 0.339 -17.013 1.00 0.00 C ATOM 327 CG LYS A 24 -1.843 -0.612 -17.871 1.00 0.00 C ATOM 328 CD LYS A 24 -1.787 -0.012 -19.285 1.00 0.00 C ATOM 329 CE LYS A 24 -0.729 1.094 -19.494 1.00 0.00 C ATOM 330 NZ LYS A 24 -1.114 2.437 -18.977 1.00 0.00 N ATOM 0 H LYS A 24 -1.291 -0.995 -14.849 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.535 0.862 -15.120 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.612 0.483 -17.520 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.141 1.299 -17.027 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.839 -0.733 -17.464 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.301 -1.601 -17.890 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.593 -0.816 -19.995 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.768 0.397 -19.527 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.198 0.786 -19.009 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.518 1.178 -20.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.608 3.172 -19.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.139 2.571 -19.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.864 2.506 -17.970 1.00 0.00 H new ATOM 344 N ALA A 25 -5.151 -0.858 -15.909 1.00 0.00 N ATOM 345 CA ALA A 25 -6.286 -1.744 -15.804 1.00 0.00 C ATOM 346 C ALA A 25 -5.948 -3.242 -15.995 1.00 0.00 C ATOM 347 O ALA A 25 -5.549 -3.667 -17.079 1.00 0.00 O ATOM 348 CB ALA A 25 -7.397 -1.254 -16.737 1.00 0.00 C ATOM 0 H ALA A 25 -5.343 -0.026 -16.466 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.643 -1.700 -14.775 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.256 -1.920 -16.661 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.694 -0.245 -16.451 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.033 -1.247 -17.764 1.00 0.00 H new ATOM 354 N GLY A 26 -6.072 -4.022 -14.912 1.00 0.00 N ATOM 355 CA GLY A 26 -5.781 -5.456 -14.853 1.00 0.00 C ATOM 356 C GLY A 26 -4.422 -5.804 -14.236 1.00 0.00 C ATOM 357 O GLY A 26 -4.179 -6.970 -13.921 1.00 0.00 O ATOM 0 H GLY A 26 -6.392 -3.652 -14.017 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.564 -5.949 -14.277 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.823 -5.864 -15.863 1.00 0.00 H new ATOM 361 N GLU A 27 -3.525 -4.827 -14.076 1.00 0.00 N ATOM 362 CA GLU A 27 -2.217 -5.012 -13.462 1.00 0.00 C ATOM 363 C GLU A 27 -2.333 -5.031 -11.942 1.00 0.00 C ATOM 364 O GLU A 27 -3.305 -4.560 -11.340 1.00 0.00 O ATOM 365 CB GLU A 27 -1.250 -3.919 -13.905 1.00 0.00 C ATOM 366 CG GLU A 27 -0.992 -4.029 -15.411 1.00 0.00 C ATOM 367 CD GLU A 27 -0.153 -2.879 -15.946 1.00 0.00 C ATOM 368 OE1 GLU A 27 0.174 -1.939 -15.188 1.00 0.00 O ATOM 369 OE2 GLU A 27 0.313 -2.980 -17.095 1.00 0.00 O ATOM 0 H GLU A 27 -3.696 -3.868 -14.377 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.824 -5.974 -13.792 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.663 -2.938 -13.669 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.311 -4.009 -13.359 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.486 -4.971 -15.621 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.946 -4.054 -15.938 1.00 0.00 H new ATOM 376 N GLU A 28 -1.281 -5.547 -11.306 1.00 0.00 N ATOM 377 CA GLU A 28 -1.305 -5.669 -9.848 1.00 0.00 C ATOM 378 C GLU A 28 -0.163 -4.867 -9.230 1.00 0.00 C ATOM 379 O GLU A 28 0.635 -4.226 -9.929 1.00 0.00 O ATOM 380 CB GLU A 28 -1.238 -7.172 -9.468 1.00 0.00 C ATOM 381 CG GLU A 28 -0.025 -7.980 -8.966 1.00 0.00 C ATOM 382 CD GLU A 28 1.367 -7.623 -9.463 1.00 0.00 C ATOM 383 OE1 GLU A 28 2.044 -6.803 -8.818 1.00 0.00 O ATOM 384 OE2 GLU A 28 1.863 -8.269 -10.409 1.00 0.00 O ATOM 0 H GLU A 28 -0.428 -5.877 -11.758 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.232 -5.256 -9.450 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.001 -7.303 -8.701 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.583 -7.703 -10.355 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.012 -7.909 -7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.203 -9.026 -9.215 1.00 0.00 H new ATOM 391 N VAL A 29 -0.144 -4.884 -7.896 1.00 0.00 N ATOM 392 CA VAL A 29 0.871 -4.252 -7.078 1.00 0.00 C ATOM 393 C VAL A 29 1.181 -5.250 -5.960 1.00 0.00 C ATOM 394 O VAL A 29 0.408 -5.392 -5.011 1.00 0.00 O ATOM 395 CB VAL A 29 0.367 -2.917 -6.542 1.00 0.00 C ATOM 396 CG1 VAL A 29 1.431 -2.217 -5.678 1.00 0.00 C ATOM 397 CG2 VAL A 29 -0.059 -1.917 -7.627 1.00 0.00 C ATOM 0 H VAL A 29 -0.862 -5.356 -7.346 1.00 0.00 H new ATOM 0 HA VAL A 29 1.774 -4.020 -7.642 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.511 -3.188 -5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.037 -1.269 -5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.688 -2.853 -4.831 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.323 -2.033 -6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.404 -0.996 -7.158 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.790 -1.699 -8.274 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.867 -2.346 -8.220 1.00 0.00 H new ATOM 407 N LYS A 30 2.292 -5.981 -6.066 1.00 0.00 N ATOM 408 CA LYS A 30 2.697 -7.007 -5.099 1.00 0.00 C ATOM 409 C LYS A 30 3.647 -6.460 -4.030 1.00 0.00 C ATOM 410 O LYS A 30 4.822 -6.796 -3.992 1.00 0.00 O ATOM 411 CB LYS A 30 3.212 -8.219 -5.906 1.00 0.00 C ATOM 412 CG LYS A 30 4.576 -8.146 -6.616 1.00 0.00 C ATOM 413 CD LYS A 30 4.664 -9.074 -7.853 1.00 0.00 C ATOM 414 CE LYS A 30 5.329 -8.428 -9.084 1.00 0.00 C ATOM 415 NZ LYS A 30 4.394 -7.543 -9.822 1.00 0.00 N ATOM 0 H LYS A 30 2.948 -5.876 -6.840 1.00 0.00 H new ATOM 0 HA LYS A 30 1.854 -7.345 -4.497 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.245 -9.071 -5.227 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.463 -8.445 -6.665 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.764 -7.118 -6.926 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.362 -8.415 -5.910 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.222 -9.970 -7.581 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.658 -9.395 -8.124 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.198 -7.852 -8.766 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.692 -9.209 -9.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.923 -6.988 -10.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.677 -8.121 -10.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.926 -6.898 -9.154 1.00 0.00 H new ATOM 429 N TRP A 31 3.163 -5.562 -3.172 1.00 0.00 N ATOM 430 CA TRP A 31 3.910 -4.971 -2.061 1.00 0.00 C ATOM 431 C TRP A 31 4.154 -5.858 -0.839 1.00 0.00 C ATOM 432 O TRP A 31 3.220 -6.515 -0.399 1.00 0.00 O ATOM 433 CB TRP A 31 3.299 -3.617 -1.682 1.00 0.00 C ATOM 434 CG TRP A 31 1.843 -3.308 -1.878 1.00 0.00 C ATOM 435 CD1 TRP A 31 0.805 -4.115 -2.188 1.00 0.00 C ATOM 436 CD2 TRP A 31 1.308 -1.965 -1.972 1.00 0.00 C ATOM 437 NE1 TRP A 31 -0.219 -3.351 -2.712 1.00 0.00 N ATOM 438 CE2 TRP A 31 0.002 -2.011 -2.523 1.00 0.00 C ATOM 439 CE3 TRP A 31 1.839 -0.703 -1.687 1.00 0.00 C ATOM 440 CZ2 TRP A 31 -0.744 -0.859 -2.797 1.00 0.00 C ATOM 441 CZ3 TRP A 31 1.111 0.458 -1.959 1.00 0.00 C ATOM 442 CH2 TRP A 31 -0.187 0.397 -2.504 1.00 0.00 C ATOM 0 H TRP A 31 2.206 -5.214 -3.233 1.00 0.00 H new ATOM 0 HA TRP A 31 4.920 -4.835 -2.448 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.511 -3.464 -0.624 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.856 -2.858 -2.232 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.780 -5.186 -2.048 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -1.039 -3.736 -3.182 1.00 0.00 H new ATOM 0 HE3 TRP A 31 2.824 -0.625 -1.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.732 -0.934 -3.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 1.552 1.421 -1.747 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -0.745 1.302 -2.694 1.00 0.00 H new ATOM 453 N VAL A 32 5.387 -5.780 -0.289 1.00 0.00 N ATOM 454 CA VAL A 32 6.030 -6.504 0.841 1.00 0.00 C ATOM 455 C VAL A 32 6.476 -5.651 2.034 1.00 0.00 C ATOM 456 O VAL A 32 6.826 -4.492 1.860 1.00 0.00 O ATOM 457 CB VAL A 32 7.256 -7.246 0.246 1.00 0.00 C ATOM 458 CG1 VAL A 32 7.974 -8.158 1.262 1.00 0.00 C ATOM 459 CG2 VAL A 32 6.947 -8.124 -0.983 1.00 0.00 C ATOM 0 H VAL A 32 6.051 -5.113 -0.682 1.00 0.00 H new ATOM 0 HA VAL A 32 5.273 -7.163 1.266 1.00 0.00 H new ATOM 0 HB VAL A 32 7.895 -6.415 -0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.821 -8.645 0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.330 -7.559 2.100 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.279 -8.915 1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.864 -8.602 -1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.220 -8.889 -0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.539 -7.503 -1.780 1.00 0.00 H new ATOM 469 N ASN A 33 6.505 -6.233 3.244 1.00 0.00 N ATOM 470 CA ASN A 33 6.967 -5.568 4.471 1.00 0.00 C ATOM 471 C ASN A 33 8.497 -5.441 4.382 1.00 0.00 C ATOM 472 O ASN A 33 9.176 -6.467 4.364 1.00 0.00 O ATOM 473 CB ASN A 33 6.562 -6.404 5.708 1.00 0.00 C ATOM 474 CG ASN A 33 6.920 -5.794 7.070 1.00 0.00 C ATOM 475 OD1 ASN A 33 7.947 -5.164 7.260 1.00 0.00 O ATOM 476 ND2 ASN A 33 6.143 -6.043 8.099 1.00 0.00 N ATOM 0 H ASN A 33 6.203 -7.195 3.398 1.00 0.00 H new ATOM 0 HA ASN A 33 6.513 -4.582 4.572 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.485 -6.568 5.676 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.036 -7.383 5.633 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.405 -5.712 9.028 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.278 -6.568 7.970 1.00 0.00 H new ATOM 483 N ASN A 34 9.059 -4.236 4.310 1.00 0.00 N ATOM 484 CA ASN A 34 10.499 -4.034 4.272 1.00 0.00 C ATOM 485 C ASN A 34 11.058 -3.414 5.554 1.00 0.00 C ATOM 486 O ASN A 34 12.106 -3.932 5.949 1.00 0.00 O ATOM 487 CB ASN A 34 10.889 -3.249 3.023 1.00 0.00 C ATOM 488 CG ASN A 34 12.397 -3.194 2.792 1.00 0.00 C ATOM 489 OD1 ASN A 34 12.986 -4.123 2.264 1.00 0.00 O ATOM 490 ND2 ASN A 34 13.033 -2.066 3.047 1.00 0.00 N ATOM 0 H ASN A 34 8.522 -3.370 4.276 1.00 0.00 H new ATOM 0 HA ASN A 34 10.964 -5.018 4.215 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.411 -3.701 2.154 1.00 0.00 H new ATOM 0 HB3 ASN A 34 10.504 -2.233 3.106 1.00 0.00 H new ATOM 0 HD21 ASN A 34 14.019 -1.970 2.803 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.539 -1.290 3.488 1.00 0.00 H new ATOM 497 N LYS A 35 10.455 -2.401 6.236 1.00 0.00 N ATOM 498 CA LYS A 35 11.117 -1.956 7.486 1.00 0.00 C ATOM 499 C LYS A 35 10.459 -1.001 8.480 1.00 0.00 C ATOM 500 O LYS A 35 9.728 -0.093 8.113 1.00 0.00 O ATOM 501 CB LYS A 35 12.528 -1.378 7.170 1.00 0.00 C ATOM 502 CG LYS A 35 13.639 -2.000 8.031 1.00 0.00 C ATOM 503 CD LYS A 35 15.041 -1.571 7.574 1.00 0.00 C ATOM 504 CE LYS A 35 15.435 -2.207 6.234 1.00 0.00 C ATOM 505 NZ LYS A 35 16.791 -1.781 5.817 1.00 0.00 N ATOM 0 H LYS A 35 9.595 -1.919 5.973 1.00 0.00 H new ATOM 0 HA LYS A 35 11.078 -2.903 8.024 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.755 -1.545 6.117 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.516 -0.299 7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.494 -1.710 9.072 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.562 -3.087 7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.075 -0.485 7.483 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.770 -1.850 8.335 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.403 -3.293 6.321 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.711 -1.927 5.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.952 -2.055 4.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.874 -0.748 5.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.501 -2.240 6.423 1.00 0.00 H new ATOM 519 N LEU A 36 10.871 -1.135 9.748 1.00 0.00 N ATOM 520 CA LEU A 36 10.382 -0.394 10.913 1.00 0.00 C ATOM 521 C LEU A 36 8.895 -0.725 11.113 1.00 0.00 C ATOM 522 O LEU A 36 8.008 0.118 11.021 1.00 0.00 O ATOM 523 CB LEU A 36 10.696 1.118 10.767 1.00 0.00 C ATOM 524 CG LEU A 36 10.354 1.965 12.009 1.00 0.00 C ATOM 525 CD1 LEU A 36 11.301 1.689 13.182 1.00 0.00 C ATOM 526 CD2 LEU A 36 10.410 3.449 11.649 1.00 0.00 C ATOM 0 H LEU A 36 11.598 -1.804 10.000 1.00 0.00 H new ATOM 0 HA LEU A 36 10.899 -0.698 11.823 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.756 1.236 10.543 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.144 1.510 9.913 1.00 0.00 H new ATOM 0 HG LEU A 36 9.348 1.688 12.325 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.018 2.310 14.032 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.236 0.638 13.463 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.324 1.923 12.887 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.168 4.046 12.528 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.412 3.702 11.303 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.690 3.659 10.858 1.00 0.00 H new ATOM 538 N SER A 37 8.638 -2.023 11.258 1.00 0.00 N ATOM 539 CA SER A 37 7.332 -2.644 11.505 1.00 0.00 C ATOM 540 C SER A 37 6.710 -2.147 12.833 1.00 0.00 C ATOM 541 O SER A 37 7.439 -1.772 13.760 1.00 0.00 O ATOM 542 CB SER A 37 7.531 -4.167 11.508 1.00 0.00 C ATOM 543 OG SER A 37 8.397 -4.601 10.461 1.00 0.00 O ATOM 0 H SER A 37 9.383 -2.717 11.203 1.00 0.00 H new ATOM 0 HA SER A 37 6.630 -2.363 10.720 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.943 -4.476 12.469 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.563 -4.658 11.403 1.00 0.00 H new ATOM 0 HG SER A 37 8.497 -5.575 10.501 1.00 0.00 H new ATOM 549 N PRO A 38 5.366 -2.177 12.955 1.00 0.00 N ATOM 550 CA PRO A 38 4.370 -2.594 11.956 1.00 0.00 C ATOM 551 C PRO A 38 4.052 -1.532 10.880 1.00 0.00 C ATOM 552 O PRO A 38 4.559 -0.417 10.901 1.00 0.00 O ATOM 553 CB PRO A 38 3.134 -2.950 12.777 1.00 0.00 C ATOM 554 CG PRO A 38 3.187 -1.923 13.906 1.00 0.00 C ATOM 555 CD PRO A 38 4.686 -1.812 14.190 1.00 0.00 C ATOM 0 HA PRO A 38 4.753 -3.428 11.367 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.218 -2.864 12.192 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.177 -3.972 13.154 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.760 -0.967 13.604 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.632 -2.257 14.783 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.950 -0.799 14.494 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.977 -2.475 15.004 1.00 0.00 H new ATOM 563 N HIS A 39 3.288 -1.976 9.881 1.00 0.00 N ATOM 564 CA HIS A 39 2.681 -1.409 8.675 1.00 0.00 C ATOM 565 C HIS A 39 1.480 -2.092 8.060 1.00 0.00 C ATOM 566 O HIS A 39 1.126 -3.170 8.481 1.00 0.00 O ATOM 567 CB HIS A 39 3.824 -1.034 7.693 1.00 0.00 C ATOM 568 CG HIS A 39 5.160 -1.742 7.751 1.00 0.00 C ATOM 569 ND1 HIS A 39 6.015 -1.197 8.676 1.00 0.00 N ATOM 570 CD2 HIS A 39 5.969 -2.460 6.898 1.00 0.00 C ATOM 571 CE1 HIS A 39 7.242 -1.634 8.430 1.00 0.00 C ATOM 572 NE2 HIS A 39 7.266 -2.429 7.381 1.00 0.00 N ATOM 0 H HIS A 39 3.028 -2.962 9.916 1.00 0.00 H new ATOM 0 HA HIS A 39 2.147 -0.515 8.998 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.435 -1.167 6.683 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.020 0.030 7.822 1.00 0.00 H new ATOM 0 HD1 HIS A 39 5.750 -0.561 9.428 1.00 0.00 H new ATOM 0 HD2 HIS A 39 5.645 -2.964 6.000 1.00 0.00 H new ATOM 0 HE1 HIS A 39 8.111 -1.371 9.015 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.075 -2.921 7.002 1.00 0.00 H new ATOM 580 N ASN A 40 0.730 -1.400 7.184 1.00 0.00 N ATOM 581 CA ASN A 40 -0.503 -1.898 6.551 1.00 0.00 C ATOM 582 C ASN A 40 -0.791 -1.255 5.182 1.00 0.00 C ATOM 583 O ASN A 40 -0.182 -0.240 4.845 1.00 0.00 O ATOM 584 CB ASN A 40 -1.648 -1.597 7.562 1.00 0.00 C ATOM 585 CG ASN A 40 -2.989 -2.247 7.245 1.00 0.00 C ATOM 586 OD1 ASN A 40 -3.041 -3.197 6.485 1.00 0.00 O ATOM 587 ND2 ASN A 40 -4.078 -1.804 7.843 1.00 0.00 N ATOM 0 H ASN A 40 0.972 -0.454 6.889 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.407 -2.963 6.338 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.330 -1.924 8.552 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.790 -0.517 7.613 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.975 -2.258 7.671 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.023 -1.007 8.478 1.00 0.00 H new ATOM 594 N ILE A 41 -1.766 -1.806 4.441 1.00 0.00 N ATOM 595 CA ILE A 41 -2.228 -1.315 3.139 1.00 0.00 C ATOM 596 C ILE A 41 -3.750 -1.201 3.093 1.00 0.00 C ATOM 597 O ILE A 41 -4.454 -2.052 2.551 1.00 0.00 O ATOM 598 CB ILE A 41 -1.719 -2.145 1.947 1.00 0.00 C ATOM 599 CG1 ILE A 41 -0.186 -2.064 1.819 1.00 0.00 C ATOM 600 CG2 ILE A 41 -2.327 -1.496 0.658 1.00 0.00 C ATOM 601 CD1 ILE A 41 0.424 -0.684 1.506 1.00 0.00 C ATOM 0 H ILE A 41 -2.271 -2.637 4.747 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.792 -0.321 3.035 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.005 -3.188 2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.250 -2.422 2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.124 -2.756 1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.995 -2.050 -0.220 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.415 -1.525 0.715 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.995 -0.461 0.581 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.509 -0.771 1.444 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.034 -0.321 0.555 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.162 0.018 2.298 1.00 0.00 H new ATOM 613 N VAL A 42 -4.255 -0.079 3.603 1.00 0.00 N ATOM 614 CA VAL A 42 -5.675 0.236 3.611 1.00 0.00 C ATOM 615 C VAL A 42 -5.974 1.438 2.735 1.00 0.00 C ATOM 616 O VAL A 42 -5.521 2.558 2.981 1.00 0.00 O ATOM 617 CB VAL A 42 -6.247 0.442 5.020 1.00 0.00 C ATOM 618 CG1 VAL A 42 -6.567 -0.926 5.619 1.00 0.00 C ATOM 619 CG2 VAL A 42 -5.380 1.245 6.002 1.00 0.00 C ATOM 0 H VAL A 42 -3.676 0.646 4.028 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.176 -0.639 3.198 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.134 1.060 4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.975 -0.798 6.622 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.299 -1.436 4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.656 -1.522 5.671 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.892 1.321 6.961 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.424 0.740 6.140 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.208 2.244 5.602 1.00 0.00 H new ATOM 629 N PHE A 43 -6.658 1.167 1.620 1.00 0.00 N ATOM 630 CA PHE A 43 -7.096 2.176 0.681 1.00 0.00 C ATOM 631 C PHE A 43 -8.203 3.012 1.364 1.00 0.00 C ATOM 632 O PHE A 43 -8.732 2.643 2.427 1.00 0.00 O ATOM 633 CB PHE A 43 -7.501 1.513 -0.643 1.00 0.00 C ATOM 634 CG PHE A 43 -6.324 1.173 -1.549 1.00 0.00 C ATOM 635 CD1 PHE A 43 -5.577 -0.003 -1.349 1.00 0.00 C ATOM 636 CD2 PHE A 43 -5.982 2.020 -2.619 1.00 0.00 C ATOM 637 CE1 PHE A 43 -4.559 -0.372 -2.240 1.00 0.00 C ATOM 638 CE2 PHE A 43 -4.966 1.655 -3.518 1.00 0.00 C ATOM 639 CZ PHE A 43 -4.261 0.453 -3.332 1.00 0.00 C ATOM 0 H PHE A 43 -6.922 0.220 1.349 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.299 2.869 0.412 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.055 0.600 -0.426 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.179 2.178 -1.178 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.791 -0.631 -0.497 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.504 2.957 -2.750 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.008 -1.288 -2.085 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.727 2.298 -4.352 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.490 0.166 -4.031 1.00 0.00 H new ATOM 649 N ALA A 44 -8.535 4.151 0.754 1.00 0.00 N ATOM 650 CA ALA A 44 -9.526 5.099 1.282 1.00 0.00 C ATOM 651 C ALA A 44 -10.967 5.045 0.739 1.00 0.00 C ATOM 652 O ALA A 44 -11.850 5.527 1.447 1.00 0.00 O ATOM 653 CB ALA A 44 -8.980 6.512 1.045 1.00 0.00 C ATOM 0 H ALA A 44 -8.121 4.447 -0.130 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.641 4.808 2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.691 7.245 1.425 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.028 6.626 1.564 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.832 6.670 -0.023 1.00 0.00 H new ATOM 659 N ALA A 45 -11.211 4.460 -0.443 1.00 0.00 N ATOM 660 CA ALA A 45 -12.507 4.363 -1.145 1.00 0.00 C ATOM 661 C ALA A 45 -12.731 5.721 -1.839 1.00 0.00 C ATOM 662 O ALA A 45 -13.570 6.532 -1.442 1.00 0.00 O ATOM 663 CB ALA A 45 -13.672 3.968 -0.210 1.00 0.00 C ATOM 0 H ALA A 45 -10.462 4.012 -0.971 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.481 3.558 -1.879 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -14.597 3.913 -0.784 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.465 2.996 0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -13.777 4.716 0.576 1.00 0.00 H new ATOM 669 N ASP A 46 -11.931 5.989 -2.878 1.00 0.00 N ATOM 670 CA ASP A 46 -11.938 7.242 -3.642 1.00 0.00 C ATOM 671 C ASP A 46 -13.258 7.563 -4.389 1.00 0.00 C ATOM 672 O ASP A 46 -13.446 8.716 -4.784 1.00 0.00 O ATOM 673 CB ASP A 46 -10.688 7.269 -4.547 1.00 0.00 C ATOM 674 CG ASP A 46 -9.363 7.381 -3.757 1.00 0.00 C ATOM 675 OD1 ASP A 46 -9.069 6.554 -2.870 1.00 0.00 O ATOM 676 OD2 ASP A 46 -8.529 8.267 -4.067 1.00 0.00 O ATOM 0 H ASP A 46 -11.241 5.320 -3.220 1.00 0.00 H new ATOM 0 HA ASP A 46 -11.890 8.063 -2.927 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.667 6.363 -5.152 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.765 8.110 -5.236 1.00 0.00 H new ATOM 726 N ASP A 51 -11.929 -0.394 -2.936 1.00 0.00 N ATOM 727 CA ASP A 51 -11.003 -0.447 -1.804 1.00 0.00 C ATOM 728 C ASP A 51 -11.133 -1.734 -0.975 1.00 0.00 C ATOM 729 O ASP A 51 -10.157 -2.472 -0.801 1.00 0.00 O ATOM 730 CB ASP A 51 -11.132 0.838 -0.952 1.00 0.00 C ATOM 731 CG ASP A 51 -12.310 0.834 0.027 1.00 0.00 C ATOM 732 OD1 ASP A 51 -13.437 0.554 -0.442 1.00 0.00 O ATOM 733 OD2 ASP A 51 -12.048 1.017 1.239 1.00 0.00 O ATOM 0 HA ASP A 51 -9.990 -0.484 -2.205 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.209 0.981 -0.390 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.234 1.693 -1.620 1.00 0.00 H new ATOM 738 N THR A 52 -12.356 -2.025 -0.515 1.00 0.00 N ATOM 739 CA THR A 52 -12.736 -3.217 0.258 1.00 0.00 C ATOM 740 C THR A 52 -12.478 -4.533 -0.491 1.00 0.00 C ATOM 741 O THR A 52 -12.663 -5.598 0.102 1.00 0.00 O ATOM 742 CB THR A 52 -14.209 -3.125 0.700 1.00 0.00 C ATOM 743 OG1 THR A 52 -14.565 -4.259 1.460 1.00 0.00 O ATOM 744 CG2 THR A 52 -15.194 -3.017 -0.467 1.00 0.00 C ATOM 0 H THR A 52 -13.149 -1.405 -0.680 1.00 0.00 H new ATOM 0 HA THR A 52 -12.094 -3.233 1.139 1.00 0.00 H new ATOM 0 HB THR A 52 -14.279 -2.210 1.289 1.00 0.00 H new ATOM 0 HG1 THR A 52 -13.955 -4.997 1.252 1.00 0.00 H new ATOM 0 HG21 THR A 52 -16.211 -2.956 -0.080 1.00 0.00 H new ATOM 0 HG22 THR A 52 -14.973 -2.122 -1.048 1.00 0.00 H new ATOM 0 HG23 THR A 52 -15.100 -3.896 -1.105 1.00 0.00 H new ATOM 752 N ALA A 53 -12.093 -4.478 -1.771 1.00 0.00 N ATOM 753 CA ALA A 53 -11.764 -5.619 -2.605 1.00 0.00 C ATOM 754 C ALA A 53 -10.276 -5.623 -3.011 1.00 0.00 C ATOM 755 O ALA A 53 -9.880 -6.549 -3.716 1.00 0.00 O ATOM 756 CB ALA A 53 -12.705 -5.637 -3.816 1.00 0.00 C ATOM 0 H ALA A 53 -12.001 -3.592 -2.268 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.912 -6.537 -2.036 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.466 -6.491 -4.450 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -13.737 -5.716 -3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.582 -4.716 -4.386 1.00 0.00 H new ATOM 762 N ALA A 54 -9.439 -4.660 -2.575 1.00 0.00 N ATOM 763 CA ALA A 54 -8.017 -4.628 -2.952 1.00 0.00 C ATOM 764 C ALA A 54 -7.026 -4.235 -1.838 1.00 0.00 C ATOM 765 O ALA A 54 -5.829 -4.194 -2.116 1.00 0.00 O ATOM 766 CB ALA A 54 -7.874 -3.687 -4.155 1.00 0.00 C ATOM 0 H ALA A 54 -9.726 -3.896 -1.962 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.737 -5.655 -3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.828 -3.642 -4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.477 -4.060 -4.983 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.215 -2.689 -3.879 1.00 0.00 H new ATOM 772 N LYS A 55 -7.478 -4.018 -0.595 1.00 0.00 N ATOM 773 CA LYS A 55 -6.692 -3.586 0.570 1.00 0.00 C ATOM 774 C LYS A 55 -6.683 -4.606 1.732 1.00 0.00 C ATOM 775 O LYS A 55 -7.504 -5.518 1.784 1.00 0.00 O ATOM 776 CB LYS A 55 -7.312 -2.222 0.927 1.00 0.00 C ATOM 777 CG LYS A 55 -8.518 -2.314 1.887 1.00 0.00 C ATOM 778 CD LYS A 55 -9.145 -0.940 2.113 1.00 0.00 C ATOM 779 CE LYS A 55 -10.264 -0.927 3.141 1.00 0.00 C ATOM 780 NZ LYS A 55 -10.659 0.473 3.403 1.00 0.00 N ATOM 0 H LYS A 55 -8.462 -4.147 -0.361 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.627 -3.508 0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.546 -1.594 1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.628 -1.726 0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.264 -2.994 1.476 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.197 -2.732 2.841 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.367 -0.246 2.431 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.534 -0.570 1.164 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.118 -1.497 2.775 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.934 -1.404 4.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.858 0.594 4.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.886 1.110 3.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.512 0.702 2.853 1.00 0.00 H new ATOM 794 N LEU A 56 -5.741 -4.451 2.671 1.00 0.00 N ATOM 795 CA LEU A 56 -5.597 -5.280 3.877 1.00 0.00 C ATOM 796 C LEU A 56 -6.674 -4.909 4.924 1.00 0.00 C ATOM 797 O LEU A 56 -7.302 -3.858 4.819 1.00 0.00 O ATOM 798 CB LEU A 56 -4.216 -5.048 4.520 1.00 0.00 C ATOM 799 CG LEU A 56 -3.038 -5.914 4.047 1.00 0.00 C ATOM 800 CD1 LEU A 56 -1.786 -5.650 4.895 1.00 0.00 C ATOM 801 CD2 LEU A 56 -3.337 -7.413 4.148 1.00 0.00 C ATOM 0 H LEU A 56 -5.033 -3.719 2.611 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.709 -6.322 3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.946 -4.004 4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.322 -5.189 5.596 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.874 -5.641 3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.967 -6.275 4.539 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.504 -4.600 4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.997 -5.886 5.938 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.473 -7.980 3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.550 -7.673 5.185 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.201 -7.654 3.529 1.00 0.00 H new ATOM 813 N SER A 57 -6.904 -5.730 5.961 1.00 0.00 N ATOM 814 CA SER A 57 -7.884 -5.357 6.996 1.00 0.00 C ATOM 815 C SER A 57 -7.411 -4.094 7.746 1.00 0.00 C ATOM 816 O SER A 57 -6.212 -3.867 7.912 1.00 0.00 O ATOM 817 CB SER A 57 -8.079 -6.521 7.982 1.00 0.00 C ATOM 818 OG SER A 57 -8.656 -6.091 9.211 1.00 0.00 O ATOM 0 H SER A 57 -6.442 -6.628 6.105 1.00 0.00 H new ATOM 0 HA SER A 57 -8.838 -5.141 6.516 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.718 -7.278 7.527 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.117 -6.993 8.179 1.00 0.00 H new ATOM 0 HG SER A 57 -8.765 -6.860 9.808 1.00 0.00 H new ATOM 824 N HIS A 58 -8.340 -3.270 8.257 1.00 0.00 N ATOM 825 CA HIS A 58 -7.996 -2.069 9.039 1.00 0.00 C ATOM 826 C HIS A 58 -7.312 -2.453 10.356 1.00 0.00 C ATOM 827 O HIS A 58 -6.628 -1.624 10.966 1.00 0.00 O ATOM 828 CB HIS A 58 -9.228 -1.185 9.292 1.00 0.00 C ATOM 829 CG HIS A 58 -9.523 -0.249 8.146 1.00 0.00 C ATOM 830 ND1 HIS A 58 -8.829 0.907 7.854 1.00 0.00 N ATOM 831 CD2 HIS A 58 -10.499 -0.402 7.199 1.00 0.00 C ATOM 832 CE1 HIS A 58 -9.349 1.410 6.720 1.00 0.00 C ATOM 833 NE2 HIS A 58 -10.375 0.658 6.297 1.00 0.00 N ATOM 0 H HIS A 58 -9.343 -3.415 8.142 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.292 -1.482 8.449 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.096 -1.821 9.468 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -9.071 -0.602 10.200 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -8.064 1.306 8.397 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -11.230 -1.196 7.157 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -8.990 2.297 6.220 1.00 0.00 H new ATOM 841 N LYS A 59 -7.499 -3.704 10.801 1.00 0.00 N ATOM 842 CA LYS A 59 -6.869 -4.219 12.012 1.00 0.00 C ATOM 843 C LYS A 59 -5.829 -5.295 11.684 1.00 0.00 C ATOM 844 O LYS A 59 -5.018 -5.625 12.545 1.00 0.00 O ATOM 845 CB LYS A 59 -7.965 -4.648 13.010 1.00 0.00 C ATOM 846 CG LYS A 59 -7.649 -4.283 14.476 1.00 0.00 C ATOM 847 CD LYS A 59 -7.169 -2.835 14.741 1.00 0.00 C ATOM 848 CE LYS A 59 -7.987 -1.730 14.041 1.00 0.00 C ATOM 849 NZ LYS A 59 -7.113 -0.668 13.478 1.00 0.00 N ATOM 0 H LYS A 59 -8.093 -4.383 10.326 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.292 -3.438 12.507 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.907 -4.181 12.724 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.109 -5.726 12.936 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.544 -4.460 15.072 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.883 -4.968 14.840 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.190 -2.654 15.816 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.130 -2.751 14.424 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.584 -2.171 13.242 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.684 -1.288 14.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.696 0.141 13.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.432 -0.359 14.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.599 -1.042 12.655 1.00 0.00 H new ATOM 863 N GLY A 60 -5.830 -5.845 10.458 1.00 0.00 N ATOM 864 CA GLY A 60 -4.839 -6.831 10.012 1.00 0.00 C ATOM 865 C GLY A 60 -3.619 -6.001 9.598 1.00 0.00 C ATOM 866 O GLY A 60 -3.777 -4.840 9.220 1.00 0.00 O ATOM 0 H GLY A 60 -6.524 -5.615 9.747 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.589 -7.530 10.810 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.217 -7.422 9.178 1.00 0.00 H new ATOM 870 N LEU A 61 -2.401 -6.549 9.653 1.00 0.00 N ATOM 871 CA LEU A 61 -1.204 -5.758 9.317 1.00 0.00 C ATOM 872 C LEU A 61 0.040 -6.567 8.955 1.00 0.00 C ATOM 873 O LEU A 61 0.038 -7.800 8.983 1.00 0.00 O ATOM 874 CB LEU A 61 -0.948 -4.782 10.504 1.00 0.00 C ATOM 875 CG LEU A 61 -0.078 -5.268 11.679 1.00 0.00 C ATOM 876 CD1 LEU A 61 -0.184 -4.254 12.824 1.00 0.00 C ATOM 877 CD2 LEU A 61 -0.503 -6.623 12.261 1.00 0.00 C ATOM 0 H LEU A 61 -2.215 -7.516 9.920 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.408 -5.218 8.393 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.486 -3.881 10.099 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.917 -4.489 10.908 1.00 0.00 H new ATOM 0 HG LEU A 61 0.930 -5.372 11.277 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.428 -4.587 13.662 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.168 -3.281 12.482 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.223 -4.173 13.143 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.161 -6.890 13.083 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.527 -6.556 12.629 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.446 -7.386 11.485 1.00 0.00 H new ATOM 889 N ALA A 62 1.096 -5.822 8.600 1.00 0.00 N ATOM 890 CA ALA A 62 2.411 -6.285 8.262 1.00 0.00 C ATOM 891 C ALA A 62 3.277 -5.851 9.455 1.00 0.00 C ATOM 892 O ALA A 62 3.669 -4.689 9.555 1.00 0.00 O ATOM 893 CB ALA A 62 2.798 -5.677 6.907 1.00 0.00 C ATOM 0 H ALA A 62 1.027 -4.806 8.543 1.00 0.00 H new ATOM 0 HA ALA A 62 2.519 -7.361 8.123 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.796 -6.015 6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.082 -5.994 6.148 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.791 -4.590 6.981 1.00 0.00 H new ATOM 899 N PHE A 63 3.502 -6.763 10.409 1.00 0.00 N ATOM 900 CA PHE A 63 4.257 -6.548 11.647 1.00 0.00 C ATOM 901 C PHE A 63 5.683 -7.128 11.689 1.00 0.00 C ATOM 902 O PHE A 63 6.378 -6.890 12.673 1.00 0.00 O ATOM 903 CB PHE A 63 3.412 -7.022 12.839 1.00 0.00 C ATOM 904 CG PHE A 63 3.260 -8.526 12.954 1.00 0.00 C ATOM 905 CD1 PHE A 63 2.277 -9.206 12.209 1.00 0.00 C ATOM 906 CD2 PHE A 63 4.129 -9.252 13.790 1.00 0.00 C ATOM 907 CE1 PHE A 63 2.174 -10.607 12.287 1.00 0.00 C ATOM 908 CE2 PHE A 63 4.025 -10.651 13.871 1.00 0.00 C ATOM 909 CZ PHE A 63 3.049 -11.328 13.118 1.00 0.00 C ATOM 0 H PHE A 63 3.145 -7.716 10.334 1.00 0.00 H new ATOM 0 HA PHE A 63 4.437 -5.474 11.700 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.862 -6.645 13.758 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.420 -6.576 12.763 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.601 -8.651 11.576 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.877 -8.733 14.370 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.424 -11.127 11.710 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.694 -11.206 14.511 1.00 0.00 H new ATOM 0 HZ PHE A 63 2.972 -12.404 13.178 1.00 0.00 H new ATOM 919 N ALA A 64 6.151 -7.847 10.665 1.00 0.00 N ATOM 920 CA ALA A 64 7.495 -8.407 10.576 1.00 0.00 C ATOM 921 C ALA A 64 8.021 -8.430 9.125 1.00 0.00 C ATOM 922 O ALA A 64 7.350 -8.902 8.210 1.00 0.00 O ATOM 923 CB ALA A 64 7.487 -9.809 11.197 1.00 0.00 C ATOM 0 H ALA A 64 5.580 -8.061 9.847 1.00 0.00 H new ATOM 0 HA ALA A 64 8.181 -7.768 11.131 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.487 -10.239 11.137 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.183 -9.743 12.242 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.786 -10.443 10.655 1.00 0.00 H new ATOM 929 N ALA A 65 9.235 -7.920 8.884 1.00 0.00 N ATOM 930 CA ALA A 65 9.849 -7.831 7.553 1.00 0.00 C ATOM 931 C ALA A 65 9.754 -9.119 6.715 1.00 0.00 C ATOM 932 O ALA A 65 10.213 -10.183 7.129 1.00 0.00 O ATOM 933 CB ALA A 65 11.293 -7.335 7.692 1.00 0.00 C ATOM 0 H ALA A 65 9.831 -7.550 9.625 1.00 0.00 H new ATOM 0 HA ALA A 65 9.267 -7.108 6.982 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.751 -7.268 6.705 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.296 -6.351 8.161 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.860 -8.033 8.309 1.00 0.00 H new ATOM 939 N GLY A 66 9.162 -8.992 5.521 1.00 0.00 N ATOM 940 CA GLY A 66 8.903 -10.039 4.549 1.00 0.00 C ATOM 941 C GLY A 66 7.426 -10.430 4.406 1.00 0.00 C ATOM 942 O GLY A 66 7.154 -11.301 3.590 1.00 0.00 O ATOM 0 H GLY A 66 8.831 -8.085 5.194 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.274 -9.714 3.577 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.474 -10.925 4.828 1.00 0.00 H new ATOM 946 N GLU A 67 6.465 -9.828 5.123 1.00 0.00 N ATOM 947 CA GLU A 67 5.061 -10.268 4.997 1.00 0.00 C ATOM 948 C GLU A 67 4.344 -10.014 3.681 1.00 0.00 C ATOM 949 O GLU A 67 3.981 -10.999 3.033 1.00 0.00 O ATOM 950 CB GLU A 67 4.181 -9.747 6.127 1.00 0.00 C ATOM 951 CG GLU A 67 4.540 -10.386 7.479 1.00 0.00 C ATOM 952 CD GLU A 67 4.360 -9.384 8.609 1.00 0.00 C ATOM 953 OE1 GLU A 67 4.646 -8.190 8.379 1.00 0.00 O ATOM 954 OE2 GLU A 67 3.971 -9.759 9.729 1.00 0.00 O ATOM 0 H GLU A 67 6.622 -9.060 5.776 1.00 0.00 H new ATOM 0 HA GLU A 67 5.193 -11.349 5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.286 -8.664 6.199 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.136 -9.951 5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.909 -11.257 7.654 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.571 -10.738 7.459 1.00 0.00 H new ATOM 961 N SER A 68 4.078 -8.754 3.310 1.00 0.00 N ATOM 962 CA SER A 68 3.353 -8.426 2.073 1.00 0.00 C ATOM 963 C SER A 68 1.870 -8.772 2.051 1.00 0.00 C ATOM 964 O SER A 68 1.297 -9.363 2.971 1.00 0.00 O ATOM 965 CB SER A 68 4.018 -9.165 0.861 1.00 0.00 C ATOM 966 OG SER A 68 3.468 -10.430 0.587 1.00 0.00 O ATOM 0 H SER A 68 4.357 -7.938 3.854 1.00 0.00 H new ATOM 0 HA SER A 68 3.420 -7.340 2.010 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.925 -8.540 -0.027 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.084 -9.279 1.060 1.00 0.00 H new ATOM 0 HG SER A 68 3.400 -10.944 1.418 1.00 0.00 H new ATOM 972 N PHE A 69 1.257 -8.291 0.967 1.00 0.00 N ATOM 973 CA PHE A 69 -0.131 -8.563 0.687 1.00 0.00 C ATOM 974 C PHE A 69 -0.183 -8.169 -0.810 1.00 0.00 C ATOM 975 O PHE A 69 0.544 -7.273 -1.241 1.00 0.00 O ATOM 976 CB PHE A 69 -1.155 -7.708 1.461 1.00 0.00 C ATOM 977 CG PHE A 69 -1.836 -6.573 0.771 1.00 0.00 C ATOM 978 CD1 PHE A 69 -1.144 -5.428 0.375 1.00 0.00 C ATOM 979 CD2 PHE A 69 -3.216 -6.709 0.525 1.00 0.00 C ATOM 980 CE1 PHE A 69 -1.856 -4.426 -0.278 1.00 0.00 C ATOM 981 CE2 PHE A 69 -3.922 -5.682 -0.103 1.00 0.00 C ATOM 982 CZ PHE A 69 -3.240 -4.519 -0.479 1.00 0.00 C ATOM 0 H PHE A 69 1.717 -7.706 0.269 1.00 0.00 H new ATOM 0 HA PHE A 69 -0.402 -9.582 0.963 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -1.931 -8.380 1.828 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.647 -7.301 2.335 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.087 -5.322 0.569 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.730 -7.611 0.823 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -1.329 -3.555 -0.639 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -4.980 -5.783 -0.296 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.779 -3.695 -0.923 1.00 0.00 H new ATOM 992 N THR A 70 -1.038 -8.745 -1.646 1.00 0.00 N ATOM 993 CA THR A 70 -1.151 -8.360 -3.051 1.00 0.00 C ATOM 994 C THR A 70 -2.460 -7.627 -3.260 1.00 0.00 C ATOM 995 O THR A 70 -3.481 -8.007 -2.680 1.00 0.00 O ATOM 996 CB THR A 70 -0.978 -9.578 -3.964 1.00 0.00 C ATOM 997 OG1 THR A 70 -1.369 -9.276 -5.284 1.00 0.00 O ATOM 998 CG2 THR A 70 -1.770 -10.822 -3.556 1.00 0.00 C ATOM 0 H THR A 70 -1.674 -9.493 -1.371 1.00 0.00 H new ATOM 0 HA THR A 70 -0.348 -7.675 -3.322 1.00 0.00 H new ATOM 0 HB THR A 70 0.084 -9.808 -3.877 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.249 -10.067 -5.850 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.577 -11.625 -4.267 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.463 -11.138 -2.559 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.835 -10.590 -3.551 1.00 0.00 H new ATOM 1006 N SER A 71 -2.395 -6.552 -4.058 1.00 0.00 N ATOM 1007 CA SER A 71 -3.561 -5.756 -4.419 1.00 0.00 C ATOM 1008 C SER A 71 -3.717 -5.874 -5.920 1.00 0.00 C ATOM 1009 O SER A 71 -2.772 -6.244 -6.624 1.00 0.00 O ATOM 1010 CB SER A 71 -3.390 -4.324 -3.945 1.00 0.00 C ATOM 1011 OG SER A 71 -2.424 -3.648 -4.705 1.00 0.00 O ATOM 0 H SER A 71 -1.525 -6.214 -4.470 1.00 0.00 H new ATOM 0 HA SER A 71 -4.470 -6.114 -3.935 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.343 -3.799 -4.014 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.099 -4.319 -2.895 1.00 0.00 H new ATOM 0 HG SER A 71 -2.859 -2.958 -5.248 1.00 0.00 H new ATOM 1017 N THR A 72 -4.899 -5.590 -6.454 1.00 0.00 N ATOM 1018 CA THR A 72 -5.153 -5.731 -7.897 1.00 0.00 C ATOM 1019 C THR A 72 -6.329 -4.853 -8.287 1.00 0.00 C ATOM 1020 O THR A 72 -7.320 -4.814 -7.566 1.00 0.00 O ATOM 1021 CB THR A 72 -5.488 -7.196 -8.230 1.00 0.00 C ATOM 1022 OG1 THR A 72 -4.560 -8.078 -7.632 1.00 0.00 O ATOM 1023 CG2 THR A 72 -5.439 -7.447 -9.743 1.00 0.00 C ATOM 0 H THR A 72 -5.701 -5.260 -5.917 1.00 0.00 H new ATOM 0 HA THR A 72 -4.262 -5.429 -8.448 1.00 0.00 H new ATOM 0 HB THR A 72 -6.492 -7.378 -7.846 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.795 -9.002 -7.857 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.680 -8.490 -9.947 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.163 -6.803 -10.242 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.439 -7.226 -10.116 1.00 0.00 H new ATOM 1031 N PHE A 73 -6.246 -4.173 -9.432 1.00 0.00 N ATOM 1032 CA PHE A 73 -7.264 -3.249 -9.913 1.00 0.00 C ATOM 1033 C PHE A 73 -7.377 -2.939 -11.407 1.00 0.00 C ATOM 1034 O PHE A 73 -6.446 -3.109 -12.194 1.00 0.00 O ATOM 1035 CB PHE A 73 -7.190 -2.038 -8.952 1.00 0.00 C ATOM 1036 CG PHE A 73 -5.889 -1.694 -8.240 1.00 0.00 C ATOM 1037 CD1 PHE A 73 -4.673 -1.371 -8.854 1.00 0.00 C ATOM 1038 CD2 PHE A 73 -5.918 -1.870 -6.843 1.00 0.00 C ATOM 1039 CE1 PHE A 73 -3.534 -1.118 -8.050 1.00 0.00 C ATOM 1040 CE2 PHE A 73 -4.808 -1.613 -6.042 1.00 0.00 C ATOM 1041 CZ PHE A 73 -3.610 -1.223 -6.640 1.00 0.00 C ATOM 0 H PHE A 73 -5.448 -4.254 -10.063 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.230 -3.752 -9.877 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -7.488 -1.157 -9.521 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.947 -2.191 -8.183 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.604 -1.315 -9.930 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.830 -2.215 -6.378 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.600 -0.843 -8.517 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.874 -1.715 -4.969 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.746 -1.002 -6.031 1.00 0.00 H new ATOM 1051 N THR A 74 -8.607 -2.538 -11.769 1.00 0.00 N ATOM 1052 CA THR A 74 -9.083 -2.224 -13.126 1.00 0.00 C ATOM 1053 C THR A 74 -10.015 -1.007 -13.269 1.00 0.00 C ATOM 1054 O THR A 74 -10.761 -0.895 -14.247 1.00 0.00 O ATOM 1055 CB THR A 74 -9.725 -3.503 -13.694 1.00 0.00 C ATOM 1056 OG1 THR A 74 -9.980 -3.345 -15.066 1.00 0.00 O ATOM 1057 CG2 THR A 74 -11.044 -3.876 -13.003 1.00 0.00 C ATOM 0 H THR A 74 -9.344 -2.417 -11.075 1.00 0.00 H new ATOM 0 HA THR A 74 -8.212 -1.908 -13.700 1.00 0.00 H new ATOM 0 HB THR A 74 -9.010 -4.306 -13.513 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.304 -2.436 -15.236 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.444 -4.786 -13.450 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.864 -4.042 -11.941 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.762 -3.065 -13.127 1.00 0.00 H new ATOM 1065 N GLU A 75 -9.942 -0.080 -12.322 1.00 0.00 N ATOM 1066 CA GLU A 75 -10.754 1.138 -12.251 1.00 0.00 C ATOM 1067 C GLU A 75 -9.971 2.382 -12.697 1.00 0.00 C ATOM 1068 O GLU A 75 -9.426 3.073 -11.830 1.00 0.00 O ATOM 1069 CB GLU A 75 -11.348 1.300 -10.840 1.00 0.00 C ATOM 1070 CG GLU A 75 -10.320 1.233 -9.691 1.00 0.00 C ATOM 1071 CD GLU A 75 -10.353 -0.159 -9.028 1.00 0.00 C ATOM 1072 OE1 GLU A 75 -9.936 -1.105 -9.740 1.00 0.00 O ATOM 1073 OE2 GLU A 75 -10.731 -0.302 -7.840 1.00 0.00 O ATOM 0 H GLU A 75 -9.286 -0.156 -11.545 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.580 1.036 -12.955 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.868 2.257 -10.788 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -12.096 0.522 -10.685 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.321 1.437 -10.075 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.540 2.002 -8.951 1.00 0.00 H new ATOM 1080 N PRO A 76 -9.947 2.698 -14.018 1.00 0.00 N ATOM 1081 CA PRO A 76 -9.197 3.830 -14.543 1.00 0.00 C ATOM 1082 C PRO A 76 -9.463 5.078 -13.703 1.00 0.00 C ATOM 1083 O PRO A 76 -10.598 5.543 -13.542 1.00 0.00 O ATOM 1084 CB PRO A 76 -9.505 3.948 -16.036 1.00 0.00 C ATOM 1085 CG PRO A 76 -10.702 3.036 -16.253 1.00 0.00 C ATOM 1086 CD PRO A 76 -10.607 2.017 -15.123 1.00 0.00 C ATOM 0 HA PRO A 76 -8.119 3.689 -14.463 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.735 4.977 -16.313 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -8.654 3.637 -16.642 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.639 3.592 -16.210 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -10.662 2.553 -17.229 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -11.597 1.667 -14.830 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.039 1.141 -15.435 1.00 0.00 H new ATOM 1094 N GLY A 77 -8.387 5.511 -13.042 1.00 0.00 N ATOM 1095 CA GLY A 77 -8.393 6.627 -12.143 1.00 0.00 C ATOM 1096 C GLY A 77 -7.192 6.557 -11.211 1.00 0.00 C ATOM 1097 O GLY A 77 -6.035 6.382 -11.604 1.00 0.00 O ATOM 0 H GLY A 77 -7.471 5.071 -13.132 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.370 7.559 -12.708 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.315 6.630 -11.561 1.00 0.00 H new ATOM 1101 N THR A 78 -7.478 6.756 -9.932 1.00 0.00 N ATOM 1102 CA THR A 78 -6.440 6.765 -8.921 1.00 0.00 C ATOM 1103 C THR A 78 -7.042 6.636 -7.546 1.00 0.00 C ATOM 1104 O THR A 78 -7.917 7.434 -7.197 1.00 0.00 O ATOM 1105 CB THR A 78 -5.593 8.061 -8.983 1.00 0.00 C ATOM 1106 OG1 THR A 78 -4.893 8.224 -7.769 1.00 0.00 O ATOM 1107 CG2 THR A 78 -6.362 9.365 -9.227 1.00 0.00 C ATOM 0 H THR A 78 -8.420 6.913 -9.574 1.00 0.00 H new ATOM 0 HA THR A 78 -5.789 5.914 -9.121 1.00 0.00 H new ATOM 0 HB THR A 78 -4.948 7.910 -9.849 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.206 7.530 -7.692 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.663 10.201 -9.250 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.887 9.305 -10.180 1.00 0.00 H new ATOM 0 HG23 THR A 78 -7.084 9.517 -8.424 1.00 0.00 H new ATOM 1115 N TYR A 79 -6.529 5.678 -6.760 1.00 0.00 N ATOM 1116 CA TYR A 79 -7.035 5.569 -5.410 1.00 0.00 C ATOM 1117 C TYR A 79 -5.937 5.647 -4.371 1.00 0.00 C ATOM 1118 O TYR A 79 -4.781 5.257 -4.551 1.00 0.00 O ATOM 1119 CB TYR A 79 -7.992 4.365 -5.176 1.00 0.00 C ATOM 1120 CG TYR A 79 -7.777 2.886 -5.431 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -7.473 2.359 -6.707 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -8.330 2.035 -4.451 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -7.779 1.015 -6.995 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -8.577 0.689 -4.713 1.00 0.00 C ATOM 1125 CZ TYR A 79 -8.353 0.193 -5.996 1.00 0.00 C ATOM 1126 OH TYR A 79 -8.890 -1.013 -6.263 1.00 0.00 O ATOM 0 H TYR A 79 -5.806 5.009 -7.026 1.00 0.00 H new ATOM 0 HA TYR A 79 -7.662 6.451 -5.278 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -8.256 4.426 -4.120 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.889 4.613 -5.743 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -7.009 2.983 -7.456 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -8.567 2.436 -3.476 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -7.576 0.612 -7.976 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -8.938 0.038 -3.931 1.00 0.00 H new ATOM 0 HH TYR A 79 -9.807 -0.898 -6.588 1.00 0.00 H new ATOM 1136 N THR A 80 -6.350 6.340 -3.315 1.00 0.00 N ATOM 1137 CA THR A 80 -5.634 6.703 -2.122 1.00 0.00 C ATOM 1138 C THR A 80 -5.544 5.519 -1.182 1.00 0.00 C ATOM 1139 O THR A 80 -6.471 4.719 -1.044 1.00 0.00 O ATOM 1140 CB THR A 80 -6.359 7.860 -1.413 1.00 0.00 C ATOM 1141 OG1 THR A 80 -6.786 8.873 -2.302 1.00 0.00 O ATOM 1142 CG2 THR A 80 -5.487 8.543 -0.359 1.00 0.00 C ATOM 0 H THR A 80 -7.305 6.696 -3.283 1.00 0.00 H new ATOM 0 HA THR A 80 -4.628 7.015 -2.401 1.00 0.00 H new ATOM 0 HB THR A 80 -7.220 7.381 -0.947 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.639 8.613 -2.709 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.048 9.351 0.109 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.196 7.816 0.399 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.594 8.949 -0.833 1.00 0.00 H new ATOM 1150 N TYR A 81 -4.407 5.456 -0.503 1.00 0.00 N ATOM 1151 CA TYR A 81 -4.053 4.435 0.460 1.00 0.00 C ATOM 1152 C TYR A 81 -3.184 4.993 1.568 1.00 0.00 C ATOM 1153 O TYR A 81 -2.651 6.098 1.497 1.00 0.00 O ATOM 1154 CB TYR A 81 -3.363 3.265 -0.256 1.00 0.00 C ATOM 1155 CG TYR A 81 -1.997 3.585 -0.838 1.00 0.00 C ATOM 1156 CD1 TYR A 81 -1.889 4.268 -2.063 1.00 0.00 C ATOM 1157 CD2 TYR A 81 -0.832 3.144 -0.186 1.00 0.00 C ATOM 1158 CE1 TYR A 81 -0.633 4.415 -2.682 1.00 0.00 C ATOM 1159 CE2 TYR A 81 0.426 3.329 -0.791 1.00 0.00 C ATOM 1160 CZ TYR A 81 0.525 3.908 -2.073 1.00 0.00 C ATOM 1161 OH TYR A 81 1.682 3.891 -2.792 1.00 0.00 O ATOM 0 H TYR A 81 -3.672 6.154 -0.619 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.966 4.069 0.929 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.257 2.439 0.448 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.012 2.917 -1.060 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.771 4.680 -2.530 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.902 2.663 0.779 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.560 4.922 -3.633 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.322 3.025 -0.269 1.00 0.00 H new ATOM 0 HH TYR A 81 2.304 3.246 -2.395 1.00 0.00 H new ATOM 1171 N TYR A 82 -3.085 4.210 2.635 1.00 0.00 N ATOM 1172 CA TYR A 82 -2.332 4.532 3.826 1.00 0.00 C ATOM 1173 C TYR A 82 -2.245 3.309 4.738 1.00 0.00 C ATOM 1174 O TYR A 82 -2.779 2.233 4.454 1.00 0.00 O ATOM 1175 CB TYR A 82 -3.012 5.700 4.577 1.00 0.00 C ATOM 1176 CG TYR A 82 -4.442 5.439 4.998 1.00 0.00 C ATOM 1177 CD1 TYR A 82 -5.484 5.600 4.062 1.00 0.00 C ATOM 1178 CD2 TYR A 82 -4.726 5.028 6.315 1.00 0.00 C ATOM 1179 CE1 TYR A 82 -6.808 5.315 4.429 1.00 0.00 C ATOM 1180 CE2 TYR A 82 -6.055 4.788 6.701 1.00 0.00 C ATOM 1181 CZ TYR A 82 -7.089 4.924 5.752 1.00 0.00 C ATOM 1182 OH TYR A 82 -8.370 4.677 6.128 1.00 0.00 O ATOM 0 H TYR A 82 -3.546 3.302 2.690 1.00 0.00 H new ATOM 0 HA TYR A 82 -1.324 4.831 3.538 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.424 5.934 5.465 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.992 6.584 3.939 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -5.263 5.943 3.062 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.924 4.898 7.026 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.604 5.395 3.703 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.283 4.501 7.717 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.389 4.417 7.073 1.00 0.00 H new ATOM 1192 N CYS A 83 -1.481 3.514 5.797 1.00 0.00 N ATOM 1193 CA CYS A 83 -1.272 2.544 6.853 1.00 0.00 C ATOM 1194 C CYS A 83 -2.037 3.061 8.083 1.00 0.00 C ATOM 1195 O CYS A 83 -1.642 4.093 8.627 1.00 0.00 O ATOM 1196 CB CYS A 83 0.220 2.466 7.128 1.00 0.00 C ATOM 1197 SG CYS A 83 0.647 1.555 8.621 1.00 0.00 S ATOM 0 H CYS A 83 -0.975 4.387 5.948 1.00 0.00 H new ATOM 0 HA CYS A 83 -1.627 1.548 6.590 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.711 1.996 6.276 1.00 0.00 H new ATOM 0 HB3 CYS A 83 0.617 3.478 7.207 1.00 0.00 H new ATOM 0 HG CYS A 83 -0.119 0.510 8.726 1.00 0.00 H new ATOM 1202 N GLU A 84 -3.112 2.396 8.529 1.00 0.00 N ATOM 1203 CA GLU A 84 -3.945 2.828 9.674 1.00 0.00 C ATOM 1204 C GLU A 84 -3.136 3.498 10.825 1.00 0.00 C ATOM 1205 O GLU A 84 -3.241 4.719 10.991 1.00 0.00 O ATOM 1206 CB GLU A 84 -4.841 1.660 10.203 1.00 0.00 C ATOM 1207 CG GLU A 84 -6.362 1.734 9.920 1.00 0.00 C ATOM 1208 CD GLU A 84 -7.215 2.221 11.116 1.00 0.00 C ATOM 1209 OE1 GLU A 84 -7.304 3.469 11.231 1.00 0.00 O ATOM 1210 OE2 GLU A 84 -7.714 1.373 11.903 1.00 0.00 O ATOM 0 H GLU A 84 -3.437 1.529 8.102 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.598 3.609 9.285 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.465 0.730 9.777 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.704 1.594 11.282 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.529 2.402 9.075 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.711 0.746 9.619 1.00 0.00 H new ATOM 1217 N PRO A 85 -2.238 2.782 11.535 1.00 0.00 N ATOM 1218 CA PRO A 85 -1.470 3.323 12.661 1.00 0.00 C ATOM 1219 C PRO A 85 -0.474 4.440 12.335 1.00 0.00 C ATOM 1220 O PRO A 85 0.155 4.973 13.250 1.00 0.00 O ATOM 1221 CB PRO A 85 -0.765 2.107 13.266 1.00 0.00 C ATOM 1222 CG PRO A 85 -0.570 1.166 12.076 1.00 0.00 C ATOM 1223 CD PRO A 85 -1.862 1.388 11.302 1.00 0.00 C ATOM 0 HA PRO A 85 -2.154 3.829 13.343 1.00 0.00 H new ATOM 0 HB2 PRO A 85 0.188 2.382 13.719 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -1.367 1.644 14.047 1.00 0.00 H new ATOM 0 HG2 PRO A 85 0.311 1.425 11.488 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.451 0.128 12.388 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.718 1.195 10.239 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -2.644 0.711 11.645 1.00 0.00 H new ATOM 1231 N HIS A 86 -0.313 4.828 11.067 1.00 0.00 N ATOM 1232 CA HIS A 86 0.659 5.852 10.665 1.00 0.00 C ATOM 1233 C HIS A 86 0.128 6.951 9.721 1.00 0.00 C ATOM 1234 O HIS A 86 0.916 7.759 9.212 1.00 0.00 O ATOM 1235 CB HIS A 86 1.862 5.114 10.065 1.00 0.00 C ATOM 1236 CG HIS A 86 2.553 4.114 10.950 1.00 0.00 C ATOM 1237 ND1 HIS A 86 2.541 4.061 12.329 1.00 0.00 N ATOM 1238 CD2 HIS A 86 3.234 3.021 10.493 1.00 0.00 C ATOM 1239 CE1 HIS A 86 3.213 2.956 12.694 1.00 0.00 C ATOM 1240 NE2 HIS A 86 3.628 2.295 11.607 1.00 0.00 N ATOM 0 H HIS A 86 -0.851 4.443 10.291 1.00 0.00 H new ATOM 0 HA HIS A 86 0.930 6.421 11.554 1.00 0.00 H new ATOM 0 HB2 HIS A 86 1.530 4.598 9.164 1.00 0.00 H new ATOM 0 HB3 HIS A 86 2.596 5.857 9.754 1.00 0.00 H new ATOM 0 HD1 HIS A 86 2.103 4.736 12.956 1.00 0.00 H new ATOM 0 HD2 HIS A 86 3.428 2.770 9.461 1.00 0.00 H new ATOM 0 HE1 HIS A 86 3.392 2.647 13.713 1.00 0.00 H new ATOM 0 HE2 HIS A 86 4.142 1.414 11.599 1.00 0.00 H new ATOM 1248 N ARG A 87 -1.200 7.044 9.516 1.00 0.00 N ATOM 1249 CA ARG A 87 -1.798 8.032 8.597 1.00 0.00 C ATOM 1250 C ARG A 87 -1.564 9.508 8.978 1.00 0.00 C ATOM 1251 O ARG A 87 -1.767 10.385 8.144 1.00 0.00 O ATOM 1252 CB ARG A 87 -3.296 7.709 8.362 1.00 0.00 C ATOM 1253 CG ARG A 87 -4.378 8.460 9.165 1.00 0.00 C ATOM 1254 CD ARG A 87 -4.471 8.078 10.650 1.00 0.00 C ATOM 1255 NE ARG A 87 -5.844 7.673 11.031 1.00 0.00 N ATOM 1256 CZ ARG A 87 -6.367 6.455 10.914 1.00 0.00 C ATOM 1257 NH1 ARG A 87 -5.705 5.458 10.412 1.00 0.00 N ATOM 1258 NH2 ARG A 87 -7.561 6.148 11.357 1.00 0.00 N ATOM 0 H ARG A 87 -1.883 6.443 9.978 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.261 7.928 7.654 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.502 7.875 7.305 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.432 6.644 8.550 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.185 9.530 9.093 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.346 8.279 8.698 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.780 7.261 10.859 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.159 8.924 11.263 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.447 8.398 11.421 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.747 5.593 10.089 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.143 4.540 10.340 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.133 6.857 11.815 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.919 5.199 11.244 1.00 0.00 H new ATOM 1272 N GLY A 88 -1.110 9.773 10.211 1.00 0.00 N ATOM 1273 CA GLY A 88 -0.774 11.097 10.756 1.00 0.00 C ATOM 1274 C GLY A 88 0.739 11.320 10.913 1.00 0.00 C ATOM 1275 O GLY A 88 1.165 12.426 11.244 1.00 0.00 O ATOM 0 H GLY A 88 -0.959 9.029 10.892 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.182 11.867 10.101 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.255 11.216 11.727 1.00 0.00 H new ATOM 1279 N ALA A 89 1.522 10.251 10.690 1.00 0.00 N ATOM 1280 CA ALA A 89 2.979 10.181 10.719 1.00 0.00 C ATOM 1281 C ALA A 89 3.555 10.215 9.293 1.00 0.00 C ATOM 1282 O ALA A 89 4.769 10.300 9.118 1.00 0.00 O ATOM 1283 CB ALA A 89 3.395 8.909 11.468 1.00 0.00 C ATOM 0 H ALA A 89 1.112 9.344 10.467 1.00 0.00 H new ATOM 0 HA ALA A 89 3.382 11.048 11.242 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.483 8.843 11.498 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.006 8.942 12.486 1.00 0.00 H new ATOM 0 HB3 ALA A 89 2.993 8.036 10.954 1.00 0.00 H new ATOM 1289 N GLY A 90 2.690 10.127 8.271 1.00 0.00 N ATOM 1290 CA GLY A 90 3.083 10.197 6.870 1.00 0.00 C ATOM 1291 C GLY A 90 2.995 8.892 6.089 1.00 0.00 C ATOM 1292 O GLY A 90 3.341 8.906 4.906 1.00 0.00 O ATOM 0 H GLY A 90 1.686 10.004 8.405 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.457 10.938 6.373 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.109 10.561 6.818 1.00 0.00 H new ATOM 1296 N MET A 91 2.536 7.776 6.676 1.00 0.00 N ATOM 1297 CA MET A 91 2.422 6.543 5.892 1.00 0.00 C ATOM 1298 C MET A 91 1.103 6.524 5.099 1.00 0.00 C ATOM 1299 O MET A 91 0.194 5.727 5.336 1.00 0.00 O ATOM 1300 CB MET A 91 2.606 5.309 6.761 1.00 0.00 C ATOM 1301 CG MET A 91 2.985 4.122 5.858 1.00 0.00 C ATOM 1302 SD MET A 91 3.759 2.723 6.698 1.00 0.00 S ATOM 1303 CE MET A 91 4.144 1.696 5.254 1.00 0.00 C ATOM 0 H MET A 91 2.249 7.703 7.652 1.00 0.00 H new ATOM 0 HA MET A 91 3.233 6.522 5.164 1.00 0.00 H new ATOM 0 HB2 MET A 91 3.385 5.483 7.504 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.688 5.091 7.307 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.085 3.769 5.355 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.664 4.479 5.083 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.679 0.803 5.575 1.00 0.00 H new ATOM 0 HE2 MET A 91 3.218 1.405 4.757 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.766 2.262 4.560 1.00 0.00 H new ATOM 1313 N VAL A 92 1.011 7.444 4.141 1.00 0.00 N ATOM 1314 CA VAL A 92 -0.101 7.729 3.239 1.00 0.00 C ATOM 1315 C VAL A 92 0.450 7.915 1.816 1.00 0.00 C ATOM 1316 O VAL A 92 1.578 8.377 1.624 1.00 0.00 O ATOM 1317 CB VAL A 92 -0.908 8.934 3.777 1.00 0.00 C ATOM 1318 CG1 VAL A 92 -0.077 10.213 3.934 1.00 0.00 C ATOM 1319 CG2 VAL A 92 -2.123 9.284 2.900 1.00 0.00 C ATOM 0 H VAL A 92 1.794 8.072 3.960 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.806 6.899 3.192 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.238 8.594 4.759 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.710 11.014 4.315 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.740 10.033 4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.331 10.503 2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.648 10.137 3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.786 9.534 1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.797 8.429 2.854 1.00 0.00 H new ATOM 1329 N GLY A 93 -0.356 7.541 0.811 1.00 0.00 N ATOM 1330 CA GLY A 93 0.025 7.598 -0.602 1.00 0.00 C ATOM 1331 C GLY A 93 -1.144 7.603 -1.597 1.00 0.00 C ATOM 1332 O GLY A 93 -2.311 7.562 -1.192 1.00 0.00 O ATOM 0 H GLY A 93 -1.301 7.187 0.962 1.00 0.00 H new ATOM 0 HA2 GLY A 93 0.622 8.495 -0.764 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.665 6.744 -0.823 1.00 0.00 H new ATOM 1336 N LYS A 94 -0.815 7.619 -2.908 1.00 0.00 N ATOM 1337 CA LYS A 94 -1.768 7.672 -4.042 1.00 0.00 C ATOM 1338 C LYS A 94 -1.363 6.788 -5.249 1.00 0.00 C ATOM 1339 O LYS A 94 -0.363 7.050 -5.913 1.00 0.00 O ATOM 1340 CB LYS A 94 -1.931 9.148 -4.465 1.00 0.00 C ATOM 1341 CG LYS A 94 -3.260 9.421 -5.189 1.00 0.00 C ATOM 1342 CD LYS A 94 -4.393 9.750 -4.206 1.00 0.00 C ATOM 1343 CE LYS A 94 -5.681 10.257 -4.878 1.00 0.00 C ATOM 1344 NZ LYS A 94 -6.444 9.183 -5.554 1.00 0.00 N ATOM 0 H LYS A 94 0.156 7.595 -3.218 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.716 7.257 -3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.868 9.783 -3.581 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.104 9.427 -5.118 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -3.131 10.251 -5.884 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.536 8.549 -5.782 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.626 8.858 -3.625 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.042 10.505 -3.503 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.315 10.727 -4.126 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.425 11.027 -5.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.170 9.606 -6.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.797 8.608 -6.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.901 8.580 -4.841 1.00 0.00 H new ATOM 1358 N VAL A 95 -2.136 5.732 -5.533 1.00 0.00 N ATOM 1359 CA VAL A 95 -1.929 4.817 -6.659 1.00 0.00 C ATOM 1360 C VAL A 95 -2.656 5.391 -7.856 1.00 0.00 C ATOM 1361 O VAL A 95 -3.779 5.877 -7.698 1.00 0.00 O ATOM 1362 CB VAL A 95 -2.553 3.428 -6.389 1.00 0.00 C ATOM 1363 CG1 VAL A 95 -2.253 2.470 -7.543 1.00 0.00 C ATOM 1364 CG2 VAL A 95 -2.007 2.758 -5.129 1.00 0.00 C ATOM 0 H VAL A 95 -2.948 5.485 -4.967 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.856 4.707 -6.818 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.621 3.614 -6.272 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.700 1.498 -7.335 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.670 2.871 -8.467 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.174 2.357 -7.651 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.485 1.787 -4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.930 2.622 -5.227 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.216 3.386 -4.263 1.00 0.00 H new ATOM 1374 N VAL A 96 -2.062 5.287 -9.043 1.00 0.00 N ATOM 1375 CA VAL A 96 -2.660 5.741 -10.283 1.00 0.00 C ATOM 1376 C VAL A 96 -2.800 4.511 -11.143 1.00 0.00 C ATOM 1377 O VAL A 96 -1.849 3.727 -11.274 1.00 0.00 O ATOM 1378 CB VAL A 96 -1.800 6.805 -10.965 1.00 0.00 C ATOM 1379 CG1 VAL A 96 -2.410 7.213 -12.313 1.00 0.00 C ATOM 1380 CG2 VAL A 96 -1.630 8.064 -10.110 1.00 0.00 C ATOM 0 H VAL A 96 -1.136 4.877 -9.165 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.626 6.215 -10.107 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.819 6.352 -11.111 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.783 7.971 -12.782 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.472 6.340 -12.963 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.409 7.618 -12.153 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.011 8.785 -10.643 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.608 8.503 -9.910 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.150 7.801 -9.167 1.00 0.00 H new ATOM 1390 N VAL A 97 -4.011 4.318 -11.672 1.00 0.00 N ATOM 1391 CA VAL A 97 -4.282 3.184 -12.543 1.00 0.00 C ATOM 1392 C VAL A 97 -4.983 3.589 -13.835 1.00 0.00 C ATOM 1393 O VAL A 97 -5.960 4.335 -13.813 1.00 0.00 O ATOM 1394 CB VAL A 97 -5.034 2.046 -11.819 1.00 0.00 C ATOM 1395 CG1 VAL A 97 -4.613 1.882 -10.352 1.00 0.00 C ATOM 1396 CG2 VAL A 97 -6.563 2.105 -11.831 1.00 0.00 C ATOM 0 H VAL A 97 -4.811 4.930 -11.511 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.306 2.789 -12.825 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.731 1.195 -12.429 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.178 1.067 -9.900 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.548 1.657 -10.302 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.814 2.806 -9.810 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.964 1.249 -11.289 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.895 3.026 -11.352 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -6.920 2.082 -12.861 1.00 0.00 H new ATOM 1406 N GLU A 98 -4.408 3.056 -14.920 1.00 0.00 N ATOM 1407 CA GLU A 98 -4.658 3.068 -16.376 1.00 0.00 C ATOM 1408 C GLU A 98 -3.445 3.401 -17.274 1.00 0.00 C ATOM 1409 O GLU A 98 -3.578 3.174 -18.501 1.00 0.00 O ATOM 1410 CB GLU A 98 -5.843 3.964 -16.781 1.00 0.00 C ATOM 1411 CG GLU A 98 -5.558 5.476 -16.754 1.00 0.00 C ATOM 1412 CD GLU A 98 -6.794 6.243 -17.219 1.00 0.00 C ATOM 1413 OE1 GLU A 98 -7.677 6.507 -16.372 1.00 0.00 O ATOM 1414 OE2 GLU A 98 -6.863 6.527 -18.434 1.00 0.00 O ATOM 1415 OXT GLU A 98 -2.325 3.703 -16.798 1.00 0.00 O ATOM 0 H GLU A 98 -3.579 2.484 -14.758 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.902 2.022 -16.563 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.160 3.688 -17.787 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.680 3.756 -16.115 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.284 5.786 -15.745 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.711 5.707 -17.400 1.00 0.00 H new