USER MOD reduce.3.24.130724 H: found=0, std=0, add=1140, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1140 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 93 TYR OH : rot 150:sc= 0.135 USER MOD Set 1.2: A 118 TYR OH : rot 8:sc= -2.39! USER MOD Set 2.1: A 108 ASN : amide:sc= 0.266 K(o=0.5,f=-1.6) USER MOD Set 2.2: A 112 LYS NZ :NH3+ -113:sc= 0.237 (180deg=-0.531) USER MOD Set 3.1: A 91 HIS : no HD1:sc= 0.333 K(o=-0.29,f=-1.8) USER MOD Set 3.2: A 101 TYR OH : rot 15:sc= -0.625 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.18 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0131) USER MOD Single : A 4 THR OG1 : rot 100:sc= 0.947 USER MOD Single : A 7 SER OG : rot -10:sc= 0.404 USER MOD Single : A 11 LYS NZ :NH3+ 171:sc=-0.00682 (180deg=-0.101) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -176:sc= 0.459 (180deg=0.447) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.036 X(o=-0.036,f=-0.51) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.785 K(o=-0.78,f=0) USER MOD Single : A 24 MET CE :methyl 155:sc= -0.0843 (180deg=-0.363) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -166:sc= 0.13 (180deg=-0.0696) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00297) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -158:sc= -2.99! (180deg=-3.78) USER MOD Single : A 54 TYR OH : rot -126:sc= 0.638 USER MOD Single : A 55 THR OG1 : rot 170:sc= -0.521 USER MOD Single : A 63 SER OG : rot 180:sc= 0.00277 USER MOD Single : A 70 LYS NZ :NH3+ -113:sc= 0.351 (180deg=-0.755) USER MOD Single : A 71 LYS NZ :NH3+ -130:sc= 0.505 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 177:sc= 0.69 (180deg=0.684) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0192) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -1.37 K(o=-1.4,f=-0.38) USER MOD Single : A 107 HIS : no HE2:sc= 0.572 K(o=0.57,f=-1.8!) USER MOD Single : A 113 LYS NZ :NH3+ 159:sc= 0.532 (180deg=0.316) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 123 ASN : amide:sc= -0.768 K(o=-0.77,f=0) USER MOD Single : A 124 ASN : amide:sc= -4.45! K(o=-4.5!,f=-0.89) USER MOD Single : A 127 THR OG1 : rot -47:sc= 0.416 USER MOD Single : A 137 HIS : no HD1:sc= -0.035 X(o=-0.035,f=0) USER MOD Single : A 138 HIS : no HD1:sc= -0.0202 X(o=-0.02,f=0) USER MOD Single : A 139 HIS : no HD1:sc= -0.0268 X(o=-0.027,f=-0.0059) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 141 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 142 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.135 -8.353 12.121 1.00 62.23 N ATOM 2 CA MET A 1 1.484 -9.054 10.993 1.00 70.51 C ATOM 3 C MET A 1 0.448 -8.111 10.363 1.00 43.21 C ATOM 4 O MET A 1 0.296 -6.985 10.833 1.00 24.40 O ATOM 5 CB MET A 1 0.832 -10.357 11.500 1.00 12.53 C ATOM 6 CG MET A 1 0.540 -11.387 10.412 1.00 65.42 C ATOM 7 SD MET A 1 -0.449 -12.769 10.997 1.00 21.11 S ATOM 8 CE MET A 1 -0.779 -13.602 9.445 1.00 11.24 C ATOM 0 H1 MET A 1 3.152 -8.255 11.928 1.00 62.23 H new ATOM 0 H2 MET A 1 1.712 -7.410 12.234 1.00 62.23 H new ATOM 0 H3 MET A 1 2.000 -8.901 12.995 1.00 62.23 H new ATOM 0 HA MET A 1 2.217 -9.325 10.233 1.00 70.51 H new ATOM 0 HB2 MET A 1 1.487 -10.810 12.244 1.00 12.53 H new ATOM 0 HB3 MET A 1 -0.101 -10.108 12.006 1.00 12.53 H new ATOM 0 HG2 MET A 1 0.020 -10.899 9.588 1.00 65.42 H new ATOM 0 HG3 MET A 1 1.482 -11.765 10.015 1.00 65.42 H new ATOM 0 HE1 MET A 1 -1.386 -14.488 9.630 1.00 11.24 H new ATOM 0 HE2 MET A 1 -1.315 -12.928 8.777 1.00 11.24 H new ATOM 0 HE3 MET A 1 0.163 -13.898 8.983 1.00 11.24 H new ATOM 20 N LEU A 2 -0.251 -8.577 9.311 1.00 11.33 N ATOM 21 CA LEU A 2 -1.217 -7.788 8.531 1.00 73.40 C ATOM 22 C LEU A 2 -2.360 -7.206 9.385 1.00 72.35 C ATOM 23 O LEU A 2 -2.608 -7.666 10.509 1.00 2.32 O ATOM 24 CB LEU A 2 -1.816 -8.630 7.381 1.00 63.44 C ATOM 25 CG LEU A 2 -0.874 -8.993 6.215 1.00 44.24 C ATOM 26 CD1 LEU A 2 -0.003 -10.202 6.536 1.00 15.21 C ATOM 27 CD2 LEU A 2 -1.680 -9.251 4.951 1.00 4.25 C ATOM 0 H LEU A 2 -0.156 -9.535 8.974 1.00 11.33 H new ATOM 0 HA LEU A 2 -0.653 -6.949 8.124 1.00 73.40 H new ATOM 0 HB2 LEU A 2 -2.202 -9.557 7.805 1.00 63.44 H new ATOM 0 HB3 LEU A 2 -2.668 -8.087 6.972 1.00 63.44 H new ATOM 0 HG LEU A 2 -0.209 -8.144 6.057 1.00 44.24 H new ATOM 0 HD11 LEU A 2 0.644 -10.420 5.686 1.00 15.21 H new ATOM 0 HD12 LEU A 2 0.609 -9.987 7.412 1.00 15.21 H new ATOM 0 HD13 LEU A 2 -0.638 -11.064 6.740 1.00 15.21 H new ATOM 0 HD21 LEU A 2 -1.005 -9.506 4.135 1.00 4.25 H new ATOM 0 HD22 LEU A 2 -2.371 -10.077 5.122 1.00 4.25 H new ATOM 0 HD23 LEU A 2 -2.243 -8.355 4.689 1.00 4.25 H new ATOM 39 N LYS A 3 -3.026 -6.178 8.814 1.00 22.32 N ATOM 40 CA LYS A 3 -4.146 -5.416 9.433 1.00 33.24 C ATOM 41 C LYS A 3 -3.639 -4.437 10.506 1.00 70.31 C ATOM 42 O LYS A 3 -4.398 -4.004 11.381 1.00 22.31 O ATOM 43 CB LYS A 3 -5.246 -6.328 10.017 1.00 33.31 C ATOM 44 CG LYS A 3 -5.898 -7.261 9.007 1.00 55.14 C ATOM 45 CD LYS A 3 -6.882 -8.189 9.691 1.00 43.42 C ATOM 46 CE LYS A 3 -7.495 -9.203 8.734 1.00 62.14 C ATOM 47 NZ LYS A 3 -8.355 -8.556 7.709 1.00 64.50 N ATOM 0 H LYS A 3 -2.795 -5.841 7.879 1.00 22.32 H new ATOM 0 HA LYS A 3 -4.599 -4.844 8.623 1.00 33.24 H new ATOM 0 HB2 LYS A 3 -4.815 -6.927 10.819 1.00 33.31 H new ATOM 0 HB3 LYS A 3 -6.018 -5.703 10.465 1.00 33.31 H new ATOM 0 HG2 LYS A 3 -6.412 -6.677 8.244 1.00 55.14 H new ATOM 0 HG3 LYS A 3 -5.132 -7.846 8.498 1.00 55.14 H new ATOM 0 HD2 LYS A 3 -6.376 -8.718 10.499 1.00 43.42 H new ATOM 0 HD3 LYS A 3 -7.677 -7.598 10.146 1.00 43.42 H new ATOM 0 HE2 LYS A 3 -6.700 -9.761 8.240 1.00 62.14 H new ATOM 0 HE3 LYS A 3 -8.086 -9.924 9.300 1.00 62.14 H new ATOM 0 HZ1 LYS A 3 -8.792 -9.286 7.111 1.00 64.50 H new ATOM 0 HZ2 LYS A 3 -9.100 -8.003 8.179 1.00 64.50 H new ATOM 0 HZ3 LYS A 3 -7.776 -7.925 7.118 1.00 64.50 H new ATOM 61 N THR A 4 -2.364 -4.056 10.406 1.00 23.23 N ATOM 62 CA THR A 4 -1.780 -3.094 11.339 1.00 71.33 C ATOM 63 C THR A 4 -1.703 -1.720 10.688 1.00 33.15 C ATOM 64 O THR A 4 -2.123 -0.727 11.276 1.00 22.33 O ATOM 65 CB THR A 4 -0.379 -3.539 11.828 1.00 12.04 C ATOM 66 OG1 THR A 4 -0.482 -4.810 12.481 1.00 45.15 O ATOM 67 CG2 THR A 4 0.245 -2.535 12.802 1.00 34.44 C ATOM 0 H THR A 4 -1.720 -4.397 9.692 1.00 23.23 H new ATOM 0 HA THR A 4 -2.428 -3.044 12.214 1.00 71.33 H new ATOM 0 HB THR A 4 0.264 -3.602 10.950 1.00 12.04 H new ATOM 0 HG1 THR A 4 -0.203 -5.518 11.864 1.00 45.15 H new ATOM 0 HG21 THR A 4 1.226 -2.893 13.115 1.00 34.44 H new ATOM 0 HG22 THR A 4 0.352 -1.569 12.309 1.00 34.44 H new ATOM 0 HG23 THR A 4 -0.398 -2.428 13.676 1.00 34.44 H new ATOM 75 N ILE A 5 -1.192 -1.664 9.468 1.00 1.24 N ATOM 76 CA ILE A 5 -1.117 -0.410 8.752 1.00 24.34 C ATOM 77 C ILE A 5 -2.453 -0.103 8.085 1.00 43.45 C ATOM 78 O ILE A 5 -3.049 -0.926 7.388 1.00 11.45 O ATOM 79 CB ILE A 5 0.086 -0.383 7.754 1.00 41.33 C ATOM 80 CG1 ILE A 5 1.401 -0.162 8.513 1.00 55.41 C ATOM 81 CG2 ILE A 5 -0.057 0.669 6.660 1.00 1.32 C ATOM 82 CD1 ILE A 5 1.517 1.177 9.222 1.00 12.02 C ATOM 0 H ILE A 5 -0.826 -2.469 8.960 1.00 1.24 H new ATOM 0 HA ILE A 5 -0.922 0.389 9.467 1.00 24.34 H new ATOM 0 HB ILE A 5 0.093 -1.355 7.260 1.00 41.33 H new ATOM 0 HG12 ILE A 5 1.516 -0.957 9.250 1.00 55.41 H new ATOM 0 HG13 ILE A 5 2.229 -0.257 7.810 1.00 55.41 H new ATOM 0 HG21 ILE A 5 0.812 0.632 6.004 1.00 1.32 H new ATOM 0 HG22 ILE A 5 -0.958 0.470 6.080 1.00 1.32 H new ATOM 0 HG23 ILE A 5 -0.128 1.658 7.113 1.00 1.32 H new ATOM 0 HD11 ILE A 5 2.480 1.238 9.729 1.00 12.02 H new ATOM 0 HD12 ILE A 5 1.439 1.983 8.492 1.00 12.02 H new ATOM 0 HD13 ILE A 5 0.715 1.272 9.954 1.00 12.02 H new ATOM 94 N LEU A 6 -2.930 1.075 8.406 1.00 33.10 N ATOM 95 CA LEU A 6 -4.122 1.642 7.852 1.00 42.52 C ATOM 96 C LEU A 6 -3.709 2.582 6.720 1.00 23.54 C ATOM 97 O LEU A 6 -2.816 3.415 6.899 1.00 43.42 O ATOM 98 CB LEU A 6 -4.825 2.400 8.985 1.00 2.41 C ATOM 99 CG LEU A 6 -6.258 2.847 8.744 1.00 34.03 C ATOM 100 CD1 LEU A 6 -7.182 1.648 8.610 1.00 64.41 C ATOM 101 CD2 LEU A 6 -6.708 3.743 9.885 1.00 50.41 C ATOM 0 H LEU A 6 -2.476 1.684 9.087 1.00 33.10 H new ATOM 0 HA LEU A 6 -4.800 0.891 7.447 1.00 42.52 H new ATOM 0 HB2 LEU A 6 -4.815 1.766 9.872 1.00 2.41 H new ATOM 0 HB3 LEU A 6 -4.231 3.284 9.218 1.00 2.41 H new ATOM 0 HG LEU A 6 -6.302 3.408 7.810 1.00 34.03 H new ATOM 0 HD11 LEU A 6 -8.202 1.992 8.438 1.00 64.41 H new ATOM 0 HD12 LEU A 6 -6.860 1.033 7.770 1.00 64.41 H new ATOM 0 HD13 LEU A 6 -7.148 1.058 9.526 1.00 64.41 H new ATOM 0 HD21 LEU A 6 -7.735 4.064 9.712 1.00 50.41 H new ATOM 0 HD22 LEU A 6 -6.653 3.192 10.824 1.00 50.41 H new ATOM 0 HD23 LEU A 6 -6.059 4.617 9.939 1.00 50.41 H new ATOM 113 N SER A 7 -4.354 2.458 5.574 1.00 13.15 N ATOM 114 CA SER A 7 -4.011 3.244 4.405 1.00 20.12 C ATOM 115 C SER A 7 -4.929 4.456 4.281 1.00 21.11 C ATOM 116 O SER A 7 -6.152 4.329 4.317 1.00 11.32 O ATOM 117 CB SER A 7 -4.056 2.368 3.146 1.00 21.12 C ATOM 118 OG SER A 7 -5.311 1.734 2.980 1.00 75.41 O ATOM 0 H SER A 7 -5.129 1.811 5.429 1.00 13.15 H new ATOM 0 HA SER A 7 -2.993 3.618 4.517 1.00 20.12 H new ATOM 0 HB2 SER A 7 -3.842 2.982 2.271 1.00 21.12 H new ATOM 0 HB3 SER A 7 -3.273 1.611 3.204 1.00 21.12 H new ATOM 0 HG SER A 7 -5.850 1.860 3.788 1.00 75.41 H new ATOM 124 N ILE A 8 -4.309 5.623 4.169 1.00 73.13 N ATOM 125 CA ILE A 8 -5.004 6.906 4.135 1.00 1.54 C ATOM 126 C ILE A 8 -4.607 7.646 2.851 1.00 15.44 C ATOM 127 O ILE A 8 -3.430 7.694 2.484 1.00 41.21 O ATOM 128 CB ILE A 8 -4.689 7.759 5.435 1.00 42.51 C ATOM 129 CG1 ILE A 8 -5.691 7.463 6.564 1.00 52.14 C ATOM 130 CG2 ILE A 8 -4.657 9.272 5.196 1.00 44.45 C ATOM 131 CD1 ILE A 8 -5.480 6.152 7.284 1.00 42.13 C ATOM 0 H ILE A 8 -3.295 5.708 4.098 1.00 73.13 H new ATOM 0 HA ILE A 8 -6.082 6.743 4.128 1.00 1.54 H new ATOM 0 HB ILE A 8 -3.686 7.448 5.727 1.00 42.51 H new ATOM 0 HG12 ILE A 8 -5.642 8.272 7.293 1.00 52.14 H new ATOM 0 HG13 ILE A 8 -6.698 7.472 6.146 1.00 52.14 H new ATOM 0 HG21 ILE A 8 -4.436 9.784 6.133 1.00 44.45 H new ATOM 0 HG22 ILE A 8 -3.886 9.508 4.462 1.00 44.45 H new ATOM 0 HG23 ILE A 8 -5.626 9.602 4.823 1.00 44.45 H new ATOM 0 HD11 ILE A 8 -6.236 6.037 8.060 1.00 42.13 H new ATOM 0 HD12 ILE A 8 -5.562 5.329 6.574 1.00 42.13 H new ATOM 0 HD13 ILE A 8 -4.489 6.142 7.738 1.00 42.13 H new ATOM 143 N ALA A 9 -5.591 8.211 2.169 1.00 63.10 N ATOM 144 CA ALA A 9 -5.335 8.922 0.930 1.00 44.25 C ATOM 145 C ALA A 9 -5.509 10.424 1.122 1.00 51.12 C ATOM 146 O ALA A 9 -6.534 10.884 1.636 1.00 65.41 O ATOM 147 CB ALA A 9 -6.232 8.404 -0.187 1.00 51.21 C ATOM 0 H ALA A 9 -6.571 8.190 2.453 1.00 63.10 H new ATOM 0 HA ALA A 9 -4.300 8.739 0.640 1.00 44.25 H new ATOM 0 HB1 ALA A 9 -6.022 8.952 -1.106 1.00 51.21 H new ATOM 0 HB2 ALA A 9 -6.040 7.343 -0.345 1.00 51.21 H new ATOM 0 HB3 ALA A 9 -7.277 8.546 0.090 1.00 51.21 H new ATOM 153 N GLY A 10 -4.481 11.174 0.735 1.00 74.21 N ATOM 154 CA GLY A 10 -4.537 12.621 0.793 1.00 23.53 C ATOM 155 C GLY A 10 -3.213 13.239 1.188 1.00 64.24 C ATOM 156 O GLY A 10 -2.187 12.968 0.565 1.00 61.33 O ATOM 0 H GLY A 10 -3.602 10.798 0.379 1.00 74.21 H new ATOM 0 HA2 GLY A 10 -4.839 13.009 -0.180 1.00 23.53 H new ATOM 0 HA3 GLY A 10 -5.302 12.923 1.508 1.00 23.53 H new ATOM 160 N LYS A 11 -3.236 14.065 2.226 1.00 31.30 N ATOM 161 CA LYS A 11 -2.031 14.752 2.703 1.00 45.44 C ATOM 162 C LYS A 11 -1.219 13.878 3.688 1.00 42.12 C ATOM 163 O LYS A 11 0.007 13.818 3.553 1.00 4.52 O ATOM 164 CB LYS A 11 -2.359 16.131 3.311 1.00 13.11 C ATOM 165 CG LYS A 11 -2.576 17.256 2.292 1.00 14.45 C ATOM 166 CD LYS A 11 -3.880 17.133 1.507 1.00 20.14 C ATOM 167 CE LYS A 11 -5.105 17.313 2.398 1.00 33.02 C ATOM 168 NZ LYS A 11 -5.214 18.692 2.947 1.00 23.43 N ATOM 0 H LYS A 11 -4.078 14.280 2.760 1.00 31.30 H new ATOM 0 HA LYS A 11 -1.401 14.924 1.830 1.00 45.44 H new ATOM 0 HB2 LYS A 11 -3.257 16.037 3.922 1.00 13.11 H new ATOM 0 HB3 LYS A 11 -1.547 16.419 3.979 1.00 13.11 H new ATOM 0 HG2 LYS A 11 -2.566 18.213 2.814 1.00 14.45 H new ATOM 0 HG3 LYS A 11 -1.741 17.266 1.592 1.00 14.45 H new ATOM 0 HD2 LYS A 11 -3.897 17.880 0.713 1.00 20.14 H new ATOM 0 HD3 LYS A 11 -3.922 16.156 1.026 1.00 20.14 H new ATOM 0 HE2 LYS A 11 -6.003 17.081 1.826 1.00 33.02 H new ATOM 0 HE3 LYS A 11 -5.059 16.600 3.221 1.00 33.02 H new ATOM 0 HZ1 LYS A 11 -6.135 18.807 3.417 1.00 23.43 H new ATOM 0 HZ2 LYS A 11 -4.451 18.853 3.636 1.00 23.43 H new ATOM 0 HZ3 LYS A 11 -5.132 19.381 2.173 1.00 23.43 H new ATOM 182 N PRO A 12 -1.849 13.179 4.695 1.00 40.42 N ATOM 183 CA PRO A 12 -1.173 12.086 5.414 1.00 3.13 C ATOM 184 C PRO A 12 -1.000 10.833 4.532 1.00 11.33 C ATOM 185 O PRO A 12 -1.196 10.876 3.310 1.00 64.44 O ATOM 186 CB PRO A 12 -2.093 11.794 6.611 1.00 1.02 C ATOM 187 CG PRO A 12 -3.004 12.963 6.693 1.00 74.43 C ATOM 188 CD PRO A 12 -3.186 13.430 5.287 1.00 14.05 C ATOM 0 HA PRO A 12 -0.163 12.364 5.715 1.00 3.13 H new ATOM 0 HB2 PRO A 12 -2.651 10.869 6.463 1.00 1.02 H new ATOM 0 HB3 PRO A 12 -1.519 11.676 7.530 1.00 1.02 H new ATOM 0 HG2 PRO A 12 -3.958 12.685 7.140 1.00 74.43 H new ATOM 0 HG3 PRO A 12 -2.577 13.750 7.315 1.00 74.43 H new ATOM 0 HD2 PRO A 12 -3.970 12.874 4.772 1.00 14.05 H new ATOM 0 HD3 PRO A 12 -3.460 14.484 5.241 1.00 14.05 H new ATOM 196 N GLY A 13 -0.688 9.706 5.150 1.00 73.40 N ATOM 197 CA GLY A 13 -0.288 8.547 4.383 1.00 2.41 C ATOM 198 C GLY A 13 -0.678 7.260 5.043 1.00 11.35 C ATOM 199 O GLY A 13 -1.620 6.612 4.626 1.00 12.33 O ATOM 0 H GLY A 13 -0.704 9.573 6.161 1.00 73.40 H new ATOM 0 HA2 GLY A 13 -0.742 8.596 3.393 1.00 2.41 H new ATOM 0 HA3 GLY A 13 0.792 8.565 4.240 1.00 2.41 H new ATOM 203 N LEU A 14 0.056 6.878 6.072 1.00 2.14 N ATOM 204 CA LEU A 14 -0.203 5.625 6.756 1.00 74.22 C ATOM 205 C LEU A 14 -0.252 5.827 8.256 1.00 52.34 C ATOM 206 O LEU A 14 0.500 6.625 8.825 1.00 3.14 O ATOM 207 CB LEU A 14 0.859 4.577 6.414 1.00 64.34 C ATOM 208 CG LEU A 14 0.950 4.181 4.938 1.00 33.35 C ATOM 209 CD1 LEU A 14 2.135 3.277 4.727 1.00 4.14 C ATOM 210 CD2 LEU A 14 -0.324 3.489 4.469 1.00 13.12 C ATOM 0 H LEU A 14 0.835 7.416 6.452 1.00 2.14 H new ATOM 0 HA LEU A 14 -1.173 5.264 6.414 1.00 74.22 H new ATOM 0 HB2 LEU A 14 1.831 4.955 6.730 1.00 64.34 H new ATOM 0 HB3 LEU A 14 0.660 3.680 7.000 1.00 64.34 H new ATOM 0 HG LEU A 14 1.074 5.090 4.349 1.00 33.35 H new ATOM 0 HD11 LEU A 14 2.196 2.997 3.675 1.00 4.14 H new ATOM 0 HD12 LEU A 14 3.047 3.799 5.018 1.00 4.14 H new ATOM 0 HD13 LEU A 14 2.021 2.380 5.335 1.00 4.14 H new ATOM 0 HD21 LEU A 14 -0.226 3.221 3.417 1.00 13.12 H new ATOM 0 HD22 LEU A 14 -0.487 2.587 5.060 1.00 13.12 H new ATOM 0 HD23 LEU A 14 -1.171 4.163 4.595 1.00 13.12 H new ATOM 222 N TYR A 15 -1.167 5.112 8.878 1.00 14.13 N ATOM 223 CA TYR A 15 -1.306 5.101 10.320 1.00 14.42 C ATOM 224 C TYR A 15 -1.247 3.668 10.821 1.00 61.35 C ATOM 225 O TYR A 15 -1.385 2.741 10.048 1.00 11.31 O ATOM 226 CB TYR A 15 -2.625 5.762 10.744 1.00 53.24 C ATOM 227 CG TYR A 15 -2.650 7.271 10.587 1.00 74.22 C ATOM 228 CD1 TYR A 15 -2.078 8.096 11.543 1.00 31.31 C ATOM 229 CD2 TYR A 15 -3.254 7.869 9.490 1.00 12.52 C ATOM 230 CE1 TYR A 15 -2.106 9.467 11.412 1.00 40.24 C ATOM 231 CE2 TYR A 15 -3.286 9.241 9.349 1.00 30.14 C ATOM 232 CZ TYR A 15 -2.710 10.036 10.314 1.00 45.34 C ATOM 233 OH TYR A 15 -2.740 11.405 10.185 1.00 62.24 O ATOM 0 H TYR A 15 -1.840 4.518 8.394 1.00 14.13 H new ATOM 0 HA TYR A 15 -0.488 5.671 10.760 1.00 14.42 H new ATOM 0 HB2 TYR A 15 -3.437 5.334 10.156 1.00 53.24 H new ATOM 0 HB3 TYR A 15 -2.822 5.514 11.787 1.00 53.24 H new ATOM 0 HD1 TYR A 15 -1.602 7.656 12.406 1.00 31.31 H new ATOM 0 HD2 TYR A 15 -3.708 7.248 8.732 1.00 12.52 H new ATOM 0 HE1 TYR A 15 -1.656 10.093 12.168 1.00 40.24 H new ATOM 0 HE2 TYR A 15 -3.760 9.688 8.488 1.00 30.14 H new ATOM 0 HH TYR A 15 -3.202 11.645 9.355 1.00 62.24 H new ATOM 243 N LYS A 16 -1.003 3.493 12.102 1.00 63.13 N ATOM 244 CA LYS A 16 -1.011 2.182 12.722 1.00 20.25 C ATOM 245 C LYS A 16 -2.262 2.039 13.567 1.00 33.03 C ATOM 246 O LYS A 16 -2.399 2.700 14.594 1.00 23.43 O ATOM 247 CB LYS A 16 0.242 1.982 13.574 1.00 64.14 C ATOM 248 CG LYS A 16 1.534 1.954 12.769 1.00 65.32 C ATOM 249 CD LYS A 16 2.755 2.249 13.630 1.00 73.31 C ATOM 250 CE LYS A 16 3.035 1.148 14.636 1.00 23.54 C ATOM 251 NZ LYS A 16 4.150 1.511 15.545 1.00 24.51 N ATOM 0 H LYS A 16 -0.793 4.256 12.745 1.00 63.13 H new ATOM 0 HA LYS A 16 -1.011 1.416 11.947 1.00 20.25 H new ATOM 0 HB2 LYS A 16 0.301 2.783 14.311 1.00 64.14 H new ATOM 0 HB3 LYS A 16 0.149 1.047 14.127 1.00 64.14 H new ATOM 0 HG2 LYS A 16 1.648 0.975 12.303 1.00 65.32 H new ATOM 0 HG3 LYS A 16 1.474 2.686 11.964 1.00 65.32 H new ATOM 0 HD2 LYS A 16 3.626 2.380 12.988 1.00 73.31 H new ATOM 0 HD3 LYS A 16 2.604 3.190 14.159 1.00 73.31 H new ATOM 0 HE2 LYS A 16 2.137 0.952 15.221 1.00 23.54 H new ATOM 0 HE3 LYS A 16 3.280 0.226 14.109 1.00 23.54 H new ATOM 0 HZ1 LYS A 16 4.359 0.710 16.175 1.00 24.51 H new ATOM 0 HZ2 LYS A 16 4.995 1.740 14.984 1.00 24.51 H new ATOM 0 HZ3 LYS A 16 3.878 2.338 16.115 1.00 24.51 H new ATOM 265 N LEU A 17 -3.185 1.209 13.089 1.00 35.15 N ATOM 266 CA LEU A 17 -4.456 0.955 13.749 1.00 13.04 C ATOM 267 C LEU A 17 -4.240 0.224 15.075 1.00 22.43 C ATOM 268 O LEU A 17 -3.798 -0.927 15.105 1.00 32.53 O ATOM 269 CB LEU A 17 -5.358 0.133 12.817 1.00 10.50 C ATOM 270 CG LEU A 17 -6.853 0.494 12.815 1.00 10.41 C ATOM 271 CD1 LEU A 17 -7.580 -0.307 11.753 1.00 74.50 C ATOM 272 CD2 LEU A 17 -7.495 0.248 14.171 1.00 64.42 C ATOM 0 H LEU A 17 -3.067 0.688 12.220 1.00 35.15 H new ATOM 0 HA LEU A 17 -4.941 1.906 13.969 1.00 13.04 H new ATOM 0 HB2 LEU A 17 -4.981 0.236 11.799 1.00 10.50 H new ATOM 0 HB3 LEU A 17 -5.261 -0.918 13.088 1.00 10.50 H new ATOM 0 HG LEU A 17 -6.934 1.558 12.593 1.00 10.41 H new ATOM 0 HD11 LEU A 17 -8.638 -0.044 11.760 1.00 74.50 H new ATOM 0 HD12 LEU A 17 -7.156 -0.082 10.774 1.00 74.50 H new ATOM 0 HD13 LEU A 17 -7.469 -1.371 11.961 1.00 74.50 H new ATOM 0 HD21 LEU A 17 -8.551 0.515 14.128 1.00 64.42 H new ATOM 0 HD22 LEU A 17 -7.398 -0.805 14.434 1.00 64.42 H new ATOM 0 HD23 LEU A 17 -6.997 0.857 14.925 1.00 64.42 H new ATOM 284 N ILE A 18 -4.552 0.919 16.156 1.00 55.10 N ATOM 285 CA ILE A 18 -4.443 0.375 17.497 1.00 20.33 C ATOM 286 C ILE A 18 -5.778 -0.261 17.899 1.00 31.24 C ATOM 287 O ILE A 18 -5.829 -1.444 18.244 1.00 1.54 O ATOM 288 CB ILE A 18 -4.028 1.489 18.504 1.00 1.32 C ATOM 289 CG1 ILE A 18 -2.706 2.135 18.054 1.00 65.02 C ATOM 290 CG2 ILE A 18 -3.894 0.935 19.924 1.00 72.33 C ATOM 291 CD1 ILE A 18 -2.369 3.429 18.763 1.00 22.21 C ATOM 0 H ILE A 18 -4.890 1.881 16.127 1.00 55.10 H new ATOM 0 HA ILE A 18 -3.669 -0.393 17.514 1.00 20.33 H new ATOM 0 HB ILE A 18 -4.812 2.246 18.516 1.00 1.32 H new ATOM 0 HG12 ILE A 18 -1.895 1.425 18.216 1.00 65.02 H new ATOM 0 HG13 ILE A 18 -2.755 2.325 16.982 1.00 65.02 H new ATOM 0 HG21 ILE A 18 -3.603 1.738 20.602 1.00 72.33 H new ATOM 0 HG22 ILE A 18 -4.849 0.518 20.244 1.00 72.33 H new ATOM 0 HG23 ILE A 18 -3.134 0.154 19.940 1.00 72.33 H new ATOM 0 HD11 ILE A 18 -1.422 3.815 18.385 1.00 22.21 H new ATOM 0 HD12 ILE A 18 -3.157 4.159 18.581 1.00 22.21 H new ATOM 0 HD13 ILE A 18 -2.284 3.246 19.834 1.00 22.21 H new ATOM 303 N SER A 19 -6.855 0.527 17.834 1.00 34.24 N ATOM 304 CA SER A 19 -8.201 0.055 18.165 1.00 62.45 C ATOM 305 C SER A 19 -9.242 0.800 17.334 1.00 24.12 C ATOM 306 O SER A 19 -9.137 2.007 17.149 1.00 2.42 O ATOM 307 CB SER A 19 -8.502 0.270 19.655 1.00 30.00 C ATOM 308 OG SER A 19 -7.616 -0.467 20.483 1.00 24.23 O ATOM 0 H SER A 19 -6.818 1.506 17.551 1.00 34.24 H new ATOM 0 HA SER A 19 -8.247 -1.011 17.941 1.00 62.45 H new ATOM 0 HB2 SER A 19 -8.424 1.331 19.892 1.00 30.00 H new ATOM 0 HB3 SER A 19 -9.529 -0.029 19.865 1.00 30.00 H new ATOM 0 HG SER A 19 -7.836 -0.305 21.424 1.00 24.23 H new ATOM 314 N GLN A 20 -10.234 0.079 16.820 1.00 31.35 N ATOM 315 CA GLN A 20 -11.361 0.716 16.141 1.00 21.35 C ATOM 316 C GLN A 20 -12.445 1.049 17.156 1.00 63.52 C ATOM 317 O GLN A 20 -13.009 0.154 17.789 1.00 14.21 O ATOM 318 CB GLN A 20 -11.932 -0.176 15.030 1.00 42.01 C ATOM 319 CG GLN A 20 -11.038 -0.283 13.806 1.00 23.21 C ATOM 320 CD GLN A 20 -11.609 -1.177 12.722 1.00 3.44 C ATOM 321 OE1 GLN A 20 -12.330 -2.134 12.999 1.00 23.21 O ATOM 322 NE2 GLN A 20 -11.282 -0.878 11.476 1.00 24.52 N ATOM 0 H GLN A 20 -10.282 -0.939 16.859 1.00 31.35 H new ATOM 0 HA GLN A 20 -11.001 1.632 15.673 1.00 21.35 H new ATOM 0 HB2 GLN A 20 -12.103 -1.175 15.431 1.00 42.01 H new ATOM 0 HB3 GLN A 20 -12.903 0.216 14.726 1.00 42.01 H new ATOM 0 HG2 GLN A 20 -10.874 0.714 13.396 1.00 23.21 H new ATOM 0 HG3 GLN A 20 -10.064 -0.667 14.109 1.00 23.21 H new ATOM 0 HE21 GLN A 20 -10.681 -0.076 11.285 1.00 24.52 H new ATOM 0 HE22 GLN A 20 -11.630 -1.449 10.706 1.00 24.52 H new ATOM 331 N GLY A 21 -12.718 2.336 17.320 1.00 73.44 N ATOM 332 CA GLY A 21 -13.664 2.770 18.322 1.00 73.04 C ATOM 333 C GLY A 21 -14.917 3.370 17.729 1.00 45.12 C ATOM 334 O GLY A 21 -15.184 3.230 16.532 1.00 41.54 O ATOM 0 H GLY A 21 -12.298 3.088 16.774 1.00 73.44 H new ATOM 0 HA2 GLY A 21 -13.936 1.921 18.949 1.00 73.04 H new ATOM 0 HA3 GLY A 21 -13.187 3.505 18.970 1.00 73.04 H new ATOM 338 N LYS A 22 -15.681 4.044 18.582 1.00 24.12 N ATOM 339 CA LYS A 22 -16.921 4.701 18.182 1.00 15.14 C ATOM 340 C LYS A 22 -16.622 6.072 17.559 1.00 13.42 C ATOM 341 O LYS A 22 -15.909 6.883 18.164 1.00 61.51 O ATOM 342 CB LYS A 22 -17.877 4.831 19.390 1.00 65.30 C ATOM 343 CG LYS A 22 -17.242 5.448 20.630 1.00 51.12 C ATOM 344 CD LYS A 22 -18.251 5.696 21.732 1.00 34.25 C ATOM 345 CE LYS A 22 -17.648 6.565 22.819 1.00 3.40 C ATOM 346 NZ LYS A 22 -18.609 6.838 23.914 1.00 14.45 N ATOM 0 H LYS A 22 -15.458 4.151 19.572 1.00 24.12 H new ATOM 0 HA LYS A 22 -17.416 4.089 17.428 1.00 15.14 H new ATOM 0 HB2 LYS A 22 -18.734 5.436 19.096 1.00 65.30 H new ATOM 0 HB3 LYS A 22 -18.258 3.842 19.645 1.00 65.30 H new ATOM 0 HG2 LYS A 22 -16.458 4.787 21.001 1.00 51.12 H new ATOM 0 HG3 LYS A 22 -16.764 6.390 20.360 1.00 51.12 H new ATOM 0 HD2 LYS A 22 -19.136 6.181 21.320 1.00 34.25 H new ATOM 0 HD3 LYS A 22 -18.576 4.746 22.156 1.00 34.25 H new ATOM 0 HE2 LYS A 22 -16.765 6.073 23.227 1.00 3.40 H new ATOM 0 HE3 LYS A 22 -17.316 7.508 22.385 1.00 3.40 H new ATOM 0 HZ1 LYS A 22 -18.154 7.435 24.634 1.00 14.45 H new ATOM 0 HZ2 LYS A 22 -19.441 7.331 23.531 1.00 14.45 H new ATOM 0 HZ3 LYS A 22 -18.907 5.940 24.346 1.00 14.45 H new ATOM 360 N ASN A 23 -17.142 6.280 16.330 1.00 54.24 N ATOM 361 CA ASN A 23 -16.941 7.498 15.496 1.00 20.32 C ATOM 362 C ASN A 23 -15.522 7.556 14.922 1.00 54.15 C ATOM 363 O ASN A 23 -15.330 7.517 13.709 1.00 4.01 O ATOM 364 CB ASN A 23 -17.272 8.809 16.257 1.00 13.24 C ATOM 365 CG ASN A 23 -17.289 10.042 15.359 1.00 43.40 C ATOM 366 OD1 ASN A 23 -18.312 10.377 14.768 1.00 15.21 O ATOM 367 ND2 ASN A 23 -16.168 10.750 15.281 1.00 65.41 N ATOM 0 H ASN A 23 -17.733 5.587 15.871 1.00 54.24 H new ATOM 0 HA ASN A 23 -17.648 7.418 14.670 1.00 20.32 H new ATOM 0 HB2 ASN A 23 -18.245 8.706 16.738 1.00 13.24 H new ATOM 0 HB3 ASN A 23 -16.538 8.956 17.050 1.00 13.24 H new ATOM 0 HD21 ASN A 23 -16.140 11.600 14.718 1.00 65.41 H new ATOM 0 HD22 ASN A 23 -15.335 10.444 15.785 1.00 65.41 H new ATOM 374 N MET A 24 -14.540 7.662 15.804 1.00 0.13 N ATOM 375 CA MET A 24 -13.147 7.725 15.421 1.00 13.24 C ATOM 376 C MET A 24 -12.374 6.493 15.879 1.00 34.11 C ATOM 377 O MET A 24 -12.805 5.739 16.751 1.00 32.10 O ATOM 378 CB MET A 24 -12.458 9.017 15.922 1.00 23.22 C ATOM 379 CG MET A 24 -13.024 9.646 17.196 1.00 62.42 C ATOM 380 SD MET A 24 -12.957 8.589 18.658 1.00 0.10 S ATOM 381 CE MET A 24 -11.198 8.294 18.797 1.00 23.25 C ATOM 0 H MET A 24 -14.693 7.707 16.811 1.00 0.13 H new ATOM 0 HA MET A 24 -13.133 7.745 14.331 1.00 13.24 H new ATOM 0 HB2 MET A 24 -11.404 8.797 16.090 1.00 23.22 H new ATOM 0 HB3 MET A 24 -12.506 9.759 15.125 1.00 23.22 H new ATOM 0 HG2 MET A 24 -12.477 10.565 17.404 1.00 62.42 H new ATOM 0 HG3 MET A 24 -14.062 9.927 17.015 1.00 62.42 H new ATOM 0 HE1 MET A 24 -10.949 8.060 19.832 1.00 23.25 H new ATOM 0 HE2 MET A 24 -10.918 7.456 18.158 1.00 23.25 H new ATOM 0 HE3 MET A 24 -10.654 9.186 18.486 1.00 23.25 H new ATOM 391 N LEU A 25 -11.225 6.323 15.262 1.00 33.23 N ATOM 392 CA LEU A 25 -10.302 5.243 15.517 1.00 14.34 C ATOM 393 C LEU A 25 -9.153 5.732 16.365 1.00 1.54 C ATOM 394 O LEU A 25 -8.737 6.893 16.265 1.00 73.45 O ATOM 395 CB LEU A 25 -9.728 4.721 14.190 1.00 44.41 C ATOM 396 CG LEU A 25 -10.400 3.501 13.547 1.00 2.24 C ATOM 397 CD1 LEU A 25 -11.901 3.677 13.414 1.00 41.13 C ATOM 398 CD2 LEU A 25 -9.798 3.262 12.179 1.00 53.41 C ATOM 0 H LEU A 25 -10.896 6.962 14.538 1.00 33.23 H new ATOM 0 HA LEU A 25 -10.839 4.449 16.035 1.00 14.34 H new ATOM 0 HB2 LEU A 25 -9.758 5.538 13.469 1.00 44.41 H new ATOM 0 HB3 LEU A 25 -8.678 4.477 14.353 1.00 44.41 H new ATOM 0 HG LEU A 25 -10.225 2.644 14.198 1.00 2.24 H new ATOM 0 HD11 LEU A 25 -12.332 2.788 12.954 1.00 41.13 H new ATOM 0 HD12 LEU A 25 -12.339 3.823 14.401 1.00 41.13 H new ATOM 0 HD13 LEU A 25 -12.112 4.546 12.791 1.00 41.13 H new ATOM 0 HD21 LEU A 25 -10.273 2.396 11.719 1.00 53.41 H new ATOM 0 HD22 LEU A 25 -9.959 4.139 11.552 1.00 53.41 H new ATOM 0 HD23 LEU A 25 -8.728 3.079 12.279 1.00 53.41 H new ATOM 410 N ILE A 26 -8.647 4.849 17.195 1.00 33.32 N ATOM 411 CA ILE A 26 -7.402 5.088 17.883 1.00 73.32 C ATOM 412 C ILE A 26 -6.286 4.562 16.996 1.00 64.10 C ATOM 413 O ILE A 26 -6.141 3.351 16.825 1.00 2.24 O ATOM 414 CB ILE A 26 -7.338 4.388 19.270 1.00 70.34 C ATOM 415 CG1 ILE A 26 -8.530 4.790 20.166 1.00 64.43 C ATOM 416 CG2 ILE A 26 -6.010 4.692 19.963 1.00 11.51 C ATOM 417 CD1 ILE A 26 -8.613 6.271 20.494 1.00 75.22 C ATOM 0 H ILE A 26 -9.083 3.953 17.410 1.00 33.32 H new ATOM 0 HA ILE A 26 -7.305 6.157 18.071 1.00 73.32 H new ATOM 0 HB ILE A 26 -7.404 3.313 19.103 1.00 70.34 H new ATOM 0 HG12 ILE A 26 -9.454 4.490 19.672 1.00 64.43 H new ATOM 0 HG13 ILE A 26 -8.470 4.229 21.099 1.00 64.43 H new ATOM 0 HG21 ILE A 26 -5.983 4.194 20.932 1.00 11.51 H new ATOM 0 HG22 ILE A 26 -5.187 4.331 19.346 1.00 11.51 H new ATOM 0 HG23 ILE A 26 -5.912 5.768 20.105 1.00 11.51 H new ATOM 0 HD11 ILE A 26 -9.481 6.455 21.127 1.00 75.22 H new ATOM 0 HD12 ILE A 26 -7.709 6.578 21.020 1.00 75.22 H new ATOM 0 HD13 ILE A 26 -8.708 6.843 19.571 1.00 75.22 H new ATOM 429 N VAL A 27 -5.552 5.471 16.377 1.00 62.53 N ATOM 430 CA VAL A 27 -4.396 5.104 15.575 1.00 25.53 C ATOM 431 C VAL A 27 -3.202 5.958 15.993 1.00 1.43 C ATOM 432 O VAL A 27 -3.336 6.855 16.821 1.00 63.22 O ATOM 433 CB VAL A 27 -4.635 5.242 14.032 1.00 65.13 C ATOM 434 CG1 VAL A 27 -5.761 4.340 13.547 1.00 61.33 C ATOM 435 CG2 VAL A 27 -4.914 6.679 13.627 1.00 75.35 C ATOM 0 H VAL A 27 -5.737 6.473 16.415 1.00 62.53 H new ATOM 0 HA VAL A 27 -4.202 4.048 15.762 1.00 25.53 H new ATOM 0 HB VAL A 27 -3.709 4.923 13.553 1.00 65.13 H new ATOM 0 HG11 VAL A 27 -5.892 4.468 12.473 1.00 61.33 H new ATOM 0 HG12 VAL A 27 -5.512 3.301 13.761 1.00 61.33 H new ATOM 0 HG13 VAL A 27 -6.686 4.605 14.060 1.00 61.33 H new ATOM 0 HG21 VAL A 27 -5.074 6.729 12.550 1.00 75.35 H new ATOM 0 HG22 VAL A 27 -5.805 7.036 14.143 1.00 75.35 H new ATOM 0 HG23 VAL A 27 -4.063 7.305 13.897 1.00 75.35 H new ATOM 445 N GLU A 28 -2.051 5.660 15.429 1.00 15.44 N ATOM 446 CA GLU A 28 -0.851 6.451 15.649 1.00 65.44 C ATOM 447 C GLU A 28 -0.154 6.681 14.322 1.00 61.22 C ATOM 448 O GLU A 28 -0.314 5.893 13.404 1.00 10.23 O ATOM 449 CB GLU A 28 0.101 5.779 16.657 1.00 53.21 C ATOM 450 CG GLU A 28 0.477 4.348 16.305 1.00 34.05 C ATOM 451 CD GLU A 28 1.554 3.783 17.203 1.00 0.41 C ATOM 452 OE1 GLU A 28 1.224 3.249 18.279 1.00 50.54 O ATOM 453 OE2 GLU A 28 2.744 3.861 16.830 1.00 71.10 O ATOM 0 H GLU A 28 -1.917 4.864 14.805 1.00 15.44 H new ATOM 0 HA GLU A 28 -1.143 7.409 16.079 1.00 65.44 H new ATOM 0 HB2 GLU A 28 1.011 6.374 16.731 1.00 53.21 H new ATOM 0 HB3 GLU A 28 -0.366 5.788 17.642 1.00 53.21 H new ATOM 0 HG2 GLU A 28 -0.410 3.718 16.370 1.00 34.05 H new ATOM 0 HG3 GLU A 28 0.818 4.312 15.270 1.00 34.05 H new ATOM 460 N THR A 29 0.592 7.761 14.207 1.00 22.13 N ATOM 461 CA THR A 29 1.347 8.028 12.999 1.00 52.02 C ATOM 462 C THR A 29 2.605 7.180 13.017 1.00 12.22 C ATOM 463 O THR A 29 3.354 7.208 13.995 1.00 44.04 O ATOM 464 CB THR A 29 1.720 9.516 12.865 1.00 35.41 C ATOM 465 OG1 THR A 29 0.695 10.324 13.447 1.00 32.43 O ATOM 466 CG2 THR A 29 1.880 9.900 11.399 1.00 70.42 C ATOM 0 H THR A 29 0.692 8.468 14.935 1.00 22.13 H new ATOM 0 HA THR A 29 0.724 7.775 12.141 1.00 52.02 H new ATOM 0 HB THR A 29 2.665 9.681 13.382 1.00 35.41 H new ATOM 0 HG1 THR A 29 0.936 11.270 13.361 1.00 32.43 H new ATOM 0 HG21 THR A 29 2.143 10.955 11.326 1.00 70.42 H new ATOM 0 HG22 THR A 29 2.669 9.297 10.949 1.00 70.42 H new ATOM 0 HG23 THR A 29 0.942 9.723 10.872 1.00 70.42 H new ATOM 474 N VAL A 30 2.801 6.417 11.941 1.00 51.31 N ATOM 475 CA VAL A 30 3.865 5.413 11.862 1.00 22.51 C ATOM 476 C VAL A 30 5.273 6.042 12.004 1.00 4.24 C ATOM 477 O VAL A 30 6.129 5.497 12.707 1.00 51.33 O ATOM 478 CB VAL A 30 3.703 4.556 10.567 1.00 50.32 C ATOM 479 CG1 VAL A 30 3.738 5.398 9.305 1.00 30.10 C ATOM 480 CG2 VAL A 30 4.722 3.434 10.487 1.00 33.31 C ATOM 0 H VAL A 30 2.227 6.477 11.100 1.00 51.31 H new ATOM 0 HA VAL A 30 3.767 4.738 12.712 1.00 22.51 H new ATOM 0 HB VAL A 30 2.713 4.104 10.635 1.00 50.32 H new ATOM 0 HG11 VAL A 30 3.621 4.753 8.434 1.00 30.10 H new ATOM 0 HG12 VAL A 30 2.926 6.125 9.330 1.00 30.10 H new ATOM 0 HG13 VAL A 30 4.692 5.922 9.243 1.00 30.10 H new ATOM 0 HG21 VAL A 30 4.568 2.867 9.569 1.00 33.31 H new ATOM 0 HG22 VAL A 30 5.727 3.855 10.489 1.00 33.31 H new ATOM 0 HG23 VAL A 30 4.604 2.773 11.346 1.00 33.31 H new ATOM 490 N ASP A 31 5.476 7.210 11.386 1.00 52.00 N ATOM 491 CA ASP A 31 6.684 8.012 11.581 1.00 61.12 C ATOM 492 C ASP A 31 6.356 9.463 11.230 1.00 25.33 C ATOM 493 O ASP A 31 5.177 9.773 11.038 1.00 61.41 O ATOM 494 CB ASP A 31 7.858 7.483 10.739 1.00 43.41 C ATOM 495 CG ASP A 31 9.193 7.769 11.405 1.00 52.01 C ATOM 496 OD1 ASP A 31 9.543 7.076 12.377 1.00 10.33 O ATOM 497 OD2 ASP A 31 9.871 8.728 10.997 1.00 31.13 O ATOM 0 H ASP A 31 4.807 7.624 10.737 1.00 52.00 H new ATOM 0 HA ASP A 31 7.001 7.946 12.622 1.00 61.12 H new ATOM 0 HB2 ASP A 31 7.746 6.409 10.591 1.00 43.41 H new ATOM 0 HB3 ASP A 31 7.836 7.944 9.752 1.00 43.41 H new ATOM 502 N ALA A 32 7.393 10.332 11.168 1.00 13.45 N ATOM 503 CA ALA A 32 7.300 11.781 10.863 1.00 53.45 C ATOM 504 C ALA A 32 6.681 12.601 12.000 1.00 62.24 C ATOM 505 O ALA A 32 7.322 13.508 12.523 1.00 64.24 O ATOM 506 CB ALA A 32 6.594 12.057 9.534 1.00 61.04 C ATOM 0 H ALA A 32 8.354 10.032 11.335 1.00 13.45 H new ATOM 0 HA ALA A 32 8.332 12.117 10.762 1.00 53.45 H new ATOM 0 HB1 ALA A 32 6.553 13.132 9.360 1.00 61.04 H new ATOM 0 HB2 ALA A 32 7.144 11.579 8.724 1.00 61.04 H new ATOM 0 HB3 ALA A 32 5.581 11.657 9.570 1.00 61.04 H new ATOM 512 N ALA A 33 5.457 12.269 12.395 1.00 74.41 N ATOM 513 CA ALA A 33 4.768 12.988 13.443 1.00 74.21 C ATOM 514 C ALA A 33 4.875 12.223 14.761 1.00 23.53 C ATOM 515 O ALA A 33 5.102 12.837 15.802 1.00 33.11 O ATOM 516 CB ALA A 33 3.312 13.207 13.060 1.00 52.34 C ATOM 0 H ALA A 33 4.923 11.497 11.996 1.00 74.41 H new ATOM 0 HA ALA A 33 5.237 13.963 13.573 1.00 74.21 H new ATOM 0 HB1 ALA A 33 2.804 13.749 13.857 1.00 52.34 H new ATOM 0 HB2 ALA A 33 3.261 13.786 12.138 1.00 52.34 H new ATOM 0 HB3 ALA A 33 2.826 12.243 12.910 1.00 52.34 H new ATOM 522 N LYS A 34 4.808 10.868 14.655 1.00 73.22 N ATOM 523 CA LYS A 34 4.722 9.919 15.796 1.00 65.33 C ATOM 524 C LYS A 34 3.875 10.420 16.973 1.00 11.22 C ATOM 525 O LYS A 34 4.374 11.088 17.889 1.00 43.05 O ATOM 526 CB LYS A 34 6.116 9.486 16.254 1.00 24.33 C ATOM 527 CG LYS A 34 6.795 8.545 15.269 1.00 33.41 C ATOM 528 CD LYS A 34 8.145 8.057 15.771 1.00 44.25 C ATOM 529 CE LYS A 34 9.214 9.143 15.721 1.00 5.45 C ATOM 530 NZ LYS A 34 9.548 9.532 14.323 1.00 75.45 N ATOM 0 H LYS A 34 4.813 10.395 13.751 1.00 73.22 H new ATOM 0 HA LYS A 34 4.189 9.048 15.414 1.00 65.33 H new ATOM 0 HB2 LYS A 34 6.739 10.370 16.393 1.00 24.33 H new ATOM 0 HB3 LYS A 34 6.038 8.995 17.224 1.00 24.33 H new ATOM 0 HG2 LYS A 34 6.148 7.688 15.084 1.00 33.41 H new ATOM 0 HG3 LYS A 34 6.928 9.056 14.315 1.00 33.41 H new ATOM 0 HD2 LYS A 34 8.041 7.701 16.796 1.00 44.25 H new ATOM 0 HD3 LYS A 34 8.467 7.207 15.170 1.00 44.25 H new ATOM 0 HE2 LYS A 34 8.867 10.019 16.268 1.00 5.45 H new ATOM 0 HE3 LYS A 34 10.114 8.789 16.224 1.00 5.45 H new ATOM 0 HZ1 LYS A 34 10.428 10.086 14.318 1.00 75.45 H new ATOM 0 HZ2 LYS A 34 9.674 8.676 13.745 1.00 75.45 H new ATOM 0 HZ3 LYS A 34 8.775 10.105 13.928 1.00 75.45 H new ATOM 544 N LYS A 35 2.611 10.008 16.963 1.00 31.31 N ATOM 545 CA LYS A 35 1.566 10.600 17.809 1.00 22.32 C ATOM 546 C LYS A 35 0.264 9.846 17.607 1.00 70.21 C ATOM 547 O LYS A 35 0.006 9.356 16.519 1.00 61.23 O ATOM 548 CB LYS A 35 1.363 12.107 17.496 1.00 44.12 C ATOM 549 CG LYS A 35 0.975 12.423 16.056 1.00 51.11 C ATOM 550 CD LYS A 35 0.698 13.903 15.845 1.00 33.43 C ATOM 551 CE LYS A 35 -0.596 14.337 16.514 1.00 32.21 C ATOM 552 NZ LYS A 35 -0.899 15.766 16.263 1.00 45.13 N ATOM 0 H LYS A 35 2.276 9.251 16.367 1.00 31.31 H new ATOM 0 HA LYS A 35 1.882 10.519 18.849 1.00 22.32 H new ATOM 0 HB2 LYS A 35 0.591 12.499 18.158 1.00 44.12 H new ATOM 0 HB3 LYS A 35 2.285 12.638 17.732 1.00 44.12 H new ATOM 0 HG2 LYS A 35 1.776 12.107 15.388 1.00 51.11 H new ATOM 0 HG3 LYS A 35 0.089 11.848 15.786 1.00 51.11 H new ATOM 0 HD2 LYS A 35 1.527 14.488 16.243 1.00 33.43 H new ATOM 0 HD3 LYS A 35 0.643 14.114 14.777 1.00 33.43 H new ATOM 0 HE2 LYS A 35 -1.418 13.722 16.147 1.00 32.21 H new ATOM 0 HE3 LYS A 35 -0.524 14.165 17.588 1.00 32.21 H new ATOM 0 HZ1 LYS A 35 -1.789 16.021 16.737 1.00 45.13 H new ATOM 0 HZ2 LYS A 35 -0.127 16.355 16.636 1.00 45.13 H new ATOM 0 HZ3 LYS A 35 -0.993 15.926 15.240 1.00 45.13 H new ATOM 566 N ARG A 36 -0.548 9.736 18.648 1.00 73.33 N ATOM 567 CA ARG A 36 -1.866 9.130 18.500 1.00 15.13 C ATOM 568 C ARG A 36 -2.852 10.158 17.964 1.00 20.45 C ATOM 569 O ARG A 36 -3.068 11.210 18.563 1.00 74.14 O ATOM 570 CB ARG A 36 -2.370 8.512 19.808 1.00 2.14 C ATOM 571 CG ARG A 36 -1.652 7.222 20.181 1.00 3.02 C ATOM 572 CD ARG A 36 -2.266 6.570 21.407 1.00 61.43 C ATOM 573 NE ARG A 36 -1.627 5.289 21.724 1.00 42.02 N ATOM 574 CZ ARG A 36 -2.198 4.300 22.425 1.00 23.40 C ATOM 575 NH1 ARG A 36 -3.427 4.432 22.920 1.00 40.32 N ATOM 576 NH2 ARG A 36 -1.525 3.174 22.632 1.00 23.41 N ATOM 0 H ARG A 36 -0.324 10.053 19.591 1.00 73.33 H new ATOM 0 HA ARG A 36 -1.779 8.313 17.784 1.00 15.13 H new ATOM 0 HB2 ARG A 36 -2.246 9.235 20.615 1.00 2.14 H new ATOM 0 HB3 ARG A 36 -3.438 8.313 19.720 1.00 2.14 H new ATOM 0 HG2 ARG A 36 -1.692 6.528 19.342 1.00 3.02 H new ATOM 0 HG3 ARG A 36 -0.600 7.433 20.370 1.00 3.02 H new ATOM 0 HD2 ARG A 36 -2.174 7.242 22.260 1.00 61.43 H new ATOM 0 HD3 ARG A 36 -3.331 6.412 21.239 1.00 61.43 H new ATOM 0 HE ARG A 36 -0.676 5.139 21.386 1.00 42.02 H new ATOM 0 HH11 ARG A 36 -3.948 5.296 22.768 1.00 40.32 H new ATOM 0 HH12 ARG A 36 -3.847 3.670 23.451 1.00 40.32 H new ATOM 0 HH21 ARG A 36 -0.582 3.068 22.259 1.00 23.41 H new ATOM 0 HH22 ARG A 36 -1.951 2.416 23.164 1.00 23.41 H new ATOM 590 N VAL A 37 -3.405 9.853 16.800 1.00 64.31 N ATOM 591 CA VAL A 37 -4.298 10.757 16.084 1.00 25.31 C ATOM 592 C VAL A 37 -5.672 10.091 15.958 1.00 24.11 C ATOM 593 O VAL A 37 -5.745 8.879 15.761 1.00 23.31 O ATOM 594 CB VAL A 37 -3.759 11.087 14.649 1.00 21.04 C ATOM 595 CG1 VAL A 37 -4.442 12.305 14.052 1.00 60.42 C ATOM 596 CG2 VAL A 37 -2.256 11.306 14.639 1.00 52.03 C ATOM 0 H VAL A 37 -3.247 8.966 16.321 1.00 64.31 H new ATOM 0 HA VAL A 37 -4.363 11.690 16.644 1.00 25.31 H new ATOM 0 HB VAL A 37 -3.991 10.215 14.038 1.00 21.04 H new ATOM 0 HG11 VAL A 37 -4.038 12.498 13.058 1.00 60.42 H new ATOM 0 HG12 VAL A 37 -5.514 12.122 13.979 1.00 60.42 H new ATOM 0 HG13 VAL A 37 -4.264 13.171 14.690 1.00 60.42 H new ATOM 0 HG21 VAL A 37 -1.928 11.532 13.624 1.00 52.03 H new ATOM 0 HG22 VAL A 37 -2.005 12.139 15.295 1.00 52.03 H new ATOM 0 HG23 VAL A 37 -1.755 10.404 14.990 1.00 52.03 H new ATOM 606 N PRO A 38 -6.784 10.835 16.143 1.00 23.11 N ATOM 607 CA PRO A 38 -8.117 10.336 15.788 1.00 11.54 C ATOM 608 C PRO A 38 -8.330 10.242 14.266 1.00 3.51 C ATOM 609 O PRO A 38 -8.347 11.250 13.550 1.00 0.13 O ATOM 610 CB PRO A 38 -9.065 11.364 16.407 1.00 64.43 C ATOM 611 CG PRO A 38 -8.258 12.610 16.527 1.00 23.10 C ATOM 612 CD PRO A 38 -6.846 12.165 16.785 1.00 4.03 C ATOM 0 HA PRO A 38 -8.277 9.321 16.152 1.00 11.54 H new ATOM 0 HB2 PRO A 38 -9.942 11.521 15.779 1.00 64.43 H new ATOM 0 HB3 PRO A 38 -9.426 11.032 17.381 1.00 64.43 H new ATOM 0 HG2 PRO A 38 -8.320 13.204 15.615 1.00 23.10 H new ATOM 0 HG3 PRO A 38 -8.625 13.236 17.341 1.00 23.10 H new ATOM 0 HD2 PRO A 38 -6.122 12.855 16.352 1.00 4.03 H new ATOM 0 HD3 PRO A 38 -6.632 12.107 17.852 1.00 4.03 H new ATOM 620 N ALA A 39 -8.460 9.012 13.785 1.00 25.01 N ATOM 621 CA ALA A 39 -8.752 8.746 12.377 1.00 64.13 C ATOM 622 C ALA A 39 -10.237 8.498 12.250 1.00 14.53 C ATOM 623 O ALA A 39 -10.852 8.116 13.209 1.00 41.35 O ATOM 624 CB ALA A 39 -7.963 7.545 11.881 1.00 54.12 C ATOM 0 H ALA A 39 -8.367 8.172 14.355 1.00 25.01 H new ATOM 0 HA ALA A 39 -8.460 9.600 11.766 1.00 64.13 H new ATOM 0 HB1 ALA A 39 -8.196 7.365 10.831 1.00 54.12 H new ATOM 0 HB2 ALA A 39 -6.896 7.741 11.988 1.00 54.12 H new ATOM 0 HB3 ALA A 39 -8.231 6.666 12.468 1.00 54.12 H new ATOM 630 N TYR A 40 -10.839 8.742 11.112 1.00 35.13 N ATOM 631 CA TYR A 40 -12.286 8.587 11.018 1.00 11.43 C ATOM 632 C TYR A 40 -12.662 7.573 9.939 1.00 13.23 C ATOM 633 O TYR A 40 -12.728 6.367 10.201 1.00 53.12 O ATOM 634 CB TYR A 40 -12.975 9.952 10.763 1.00 25.24 C ATOM 635 CG TYR A 40 -12.595 11.047 11.743 1.00 11.23 C ATOM 636 CD1 TYR A 40 -13.234 11.162 12.971 1.00 25.35 C ATOM 637 CD2 TYR A 40 -11.591 11.957 11.439 1.00 24.33 C ATOM 638 CE1 TYR A 40 -12.880 12.150 13.870 1.00 60.44 C ATOM 639 CE2 TYR A 40 -11.232 12.947 12.330 1.00 22.33 C ATOM 640 CZ TYR A 40 -11.878 13.041 13.543 1.00 11.24 C ATOM 641 OH TYR A 40 -11.516 14.025 14.436 1.00 31.41 O ATOM 0 H TYR A 40 -10.374 9.041 10.255 1.00 35.13 H new ATOM 0 HA TYR A 40 -12.644 8.204 11.974 1.00 11.43 H new ATOM 0 HB2 TYR A 40 -12.730 10.285 9.754 1.00 25.24 H new ATOM 0 HB3 TYR A 40 -14.055 9.811 10.798 1.00 25.24 H new ATOM 0 HD1 TYR A 40 -14.021 10.468 13.227 1.00 25.35 H new ATOM 0 HD2 TYR A 40 -11.083 11.888 10.489 1.00 24.33 H new ATOM 0 HE1 TYR A 40 -13.384 12.224 14.822 1.00 60.44 H new ATOM 0 HE2 TYR A 40 -10.448 13.645 12.078 1.00 22.33 H new ATOM 0 HH TYR A 40 -10.795 14.566 14.052 1.00 31.41 H new ATOM 651 N ALA A 41 -12.834 8.089 8.725 1.00 55.11 N ATOM 652 CA ALA A 41 -13.310 7.348 7.557 1.00 24.53 C ATOM 653 C ALA A 41 -13.293 8.300 6.372 1.00 33.13 C ATOM 654 O ALA A 41 -13.151 7.892 5.220 1.00 63.11 O ATOM 655 CB ALA A 41 -14.714 6.788 7.767 1.00 71.03 C ATOM 0 H ALA A 41 -12.639 9.069 8.519 1.00 55.11 H new ATOM 0 HA ALA A 41 -12.658 6.492 7.382 1.00 24.53 H new ATOM 0 HB1 ALA A 41 -15.027 6.246 6.875 1.00 71.03 H new ATOM 0 HB2 ALA A 41 -14.712 6.111 8.621 1.00 71.03 H new ATOM 0 HB3 ALA A 41 -15.408 7.607 7.955 1.00 71.03 H new ATOM 661 N HIS A 42 -13.399 9.596 6.711 1.00 71.21 N ATOM 662 CA HIS A 42 -13.317 10.714 5.764 1.00 34.34 C ATOM 663 C HIS A 42 -11.880 10.889 5.230 1.00 33.12 C ATOM 664 O HIS A 42 -11.665 11.520 4.202 1.00 4.43 O ATOM 665 CB HIS A 42 -13.774 11.992 6.492 1.00 31.00 C ATOM 666 CG HIS A 42 -14.256 13.113 5.609 1.00 44.24 C ATOM 667 ND1 HIS A 42 -15.590 13.383 5.408 1.00 41.44 N ATOM 668 CD2 HIS A 42 -13.579 14.059 4.909 1.00 11.15 C ATOM 669 CE1 HIS A 42 -15.717 14.441 4.631 1.00 13.42 C ATOM 670 NE2 HIS A 42 -14.511 14.866 4.313 1.00 61.42 N ATOM 0 H HIS A 42 -13.547 9.899 7.674 1.00 71.21 H new ATOM 0 HA HIS A 42 -13.960 10.513 4.907 1.00 34.34 H new ATOM 0 HB2 HIS A 42 -14.576 11.728 7.182 1.00 31.00 H new ATOM 0 HB3 HIS A 42 -12.944 12.361 7.095 1.00 31.00 H new ATOM 0 HD2 HIS A 42 -12.506 14.157 4.836 1.00 11.15 H new ATOM 0 HE1 HIS A 42 -16.649 14.883 4.311 1.00 13.42 H new ATOM 0 HE2 HIS A 42 -14.305 15.668 3.718 1.00 61.42 H new ATOM 679 N ASP A 43 -10.911 10.286 5.928 1.00 22.31 N ATOM 680 CA ASP A 43 -9.489 10.335 5.560 1.00 25.02 C ATOM 681 C ASP A 43 -9.152 9.254 4.512 1.00 73.42 C ATOM 682 O ASP A 43 -7.978 8.999 4.232 1.00 2.40 O ATOM 683 CB ASP A 43 -8.612 10.097 6.805 1.00 71.22 C ATOM 684 CG ASP A 43 -9.055 10.880 8.031 1.00 55.11 C ATOM 685 OD1 ASP A 43 -9.927 10.372 8.775 1.00 55.42 O ATOM 686 OD2 ASP A 43 -8.534 11.987 8.264 1.00 30.23 O ATOM 0 H ASP A 43 -11.093 9.744 6.773 1.00 22.31 H new ATOM 0 HA ASP A 43 -9.289 11.321 5.140 1.00 25.02 H new ATOM 0 HB2 ASP A 43 -8.618 9.033 7.044 1.00 71.22 H new ATOM 0 HB3 ASP A 43 -7.582 10.364 6.568 1.00 71.22 H new ATOM 691 N LYS A 44 -10.215 8.661 3.915 1.00 4.02 N ATOM 692 CA LYS A 44 -10.141 7.467 3.060 1.00 53.10 C ATOM 693 C LYS A 44 -9.571 6.304 3.863 1.00 4.31 C ATOM 694 O LYS A 44 -8.572 5.696 3.485 1.00 53.33 O ATOM 695 CB LYS A 44 -9.336 7.676 1.755 1.00 1.43 C ATOM 696 CG LYS A 44 -9.993 8.564 0.696 1.00 24.21 C ATOM 697 CD LYS A 44 -9.814 10.049 0.987 1.00 71.03 C ATOM 698 CE LYS A 44 -10.206 10.916 -0.200 1.00 73.31 C ATOM 699 NZ LYS A 44 -11.641 10.777 -0.565 1.00 51.45 N ATOM 0 H LYS A 44 -11.166 9.014 4.022 1.00 4.02 H new ATOM 0 HA LYS A 44 -11.159 7.245 2.740 1.00 53.10 H new ATOM 0 HB2 LYS A 44 -8.369 8.108 2.013 1.00 1.43 H new ATOM 0 HB3 LYS A 44 -9.141 6.700 1.312 1.00 1.43 H new ATOM 0 HG2 LYS A 44 -9.567 8.335 -0.281 1.00 24.21 H new ATOM 0 HG3 LYS A 44 -11.057 8.333 0.642 1.00 24.21 H new ATOM 0 HD2 LYS A 44 -10.418 10.324 1.851 1.00 71.03 H new ATOM 0 HD3 LYS A 44 -8.774 10.244 1.250 1.00 71.03 H new ATOM 0 HE2 LYS A 44 -9.994 11.960 0.032 1.00 73.31 H new ATOM 0 HE3 LYS A 44 -9.590 10.649 -1.059 1.00 73.31 H new ATOM 0 HZ1 LYS A 44 -11.861 11.414 -1.357 1.00 51.45 H new ATOM 0 HZ2 LYS A 44 -11.834 9.795 -0.847 1.00 51.45 H new ATOM 0 HZ3 LYS A 44 -12.233 11.025 0.253 1.00 51.45 H new ATOM 713 N VAL A 45 -10.221 6.021 4.992 1.00 23.51 N ATOM 714 CA VAL A 45 -9.736 5.023 5.936 1.00 52.54 C ATOM 715 C VAL A 45 -10.101 3.611 5.468 1.00 45.13 C ATOM 716 O VAL A 45 -11.243 3.154 5.581 1.00 70.43 O ATOM 717 CB VAL A 45 -10.268 5.329 7.372 1.00 63.12 C ATOM 718 CG1 VAL A 45 -9.989 4.204 8.357 1.00 34.23 C ATOM 719 CG2 VAL A 45 -9.645 6.616 7.889 1.00 10.44 C ATOM 0 H VAL A 45 -11.090 6.474 5.273 1.00 23.51 H new ATOM 0 HA VAL A 45 -8.648 5.072 5.977 1.00 52.54 H new ATOM 0 HB VAL A 45 -11.350 5.432 7.293 1.00 63.12 H new ATOM 0 HG11 VAL A 45 -10.381 4.473 9.338 1.00 34.23 H new ATOM 0 HG12 VAL A 45 -10.472 3.290 8.012 1.00 34.23 H new ATOM 0 HG13 VAL A 45 -8.914 4.042 8.429 1.00 34.23 H new ATOM 0 HG21 VAL A 45 -10.020 6.825 8.891 1.00 10.44 H new ATOM 0 HG22 VAL A 45 -8.561 6.508 7.922 1.00 10.44 H new ATOM 0 HG23 VAL A 45 -9.907 7.440 7.225 1.00 10.44 H new ATOM 729 N ILE A 46 -9.094 2.958 4.912 1.00 44.21 N ATOM 730 CA ILE A 46 -9.168 1.585 4.429 1.00 64.34 C ATOM 731 C ILE A 46 -7.958 0.867 5.028 1.00 52.31 C ATOM 732 O ILE A 46 -6.984 1.526 5.330 1.00 32.32 O ATOM 733 CB ILE A 46 -9.105 1.517 2.855 1.00 61.32 C ATOM 734 CG1 ILE A 46 -10.178 2.413 2.182 1.00 72.42 C ATOM 735 CG2 ILE A 46 -9.230 0.080 2.343 1.00 72.13 C ATOM 736 CD1 ILE A 46 -11.623 1.995 2.421 1.00 44.13 C ATOM 0 H ILE A 46 -8.175 3.379 4.779 1.00 44.21 H new ATOM 0 HA ILE A 46 -10.112 1.126 4.723 1.00 64.34 H new ATOM 0 HB ILE A 46 -8.123 1.901 2.577 1.00 61.32 H new ATOM 0 HG12 ILE A 46 -10.050 3.435 2.539 1.00 72.42 H new ATOM 0 HG13 ILE A 46 -9.994 2.426 1.108 1.00 72.42 H new ATOM 0 HG21 ILE A 46 -9.182 0.076 1.254 1.00 72.13 H new ATOM 0 HG22 ILE A 46 -8.414 -0.521 2.744 1.00 72.13 H new ATOM 0 HG23 ILE A 46 -10.183 -0.340 2.666 1.00 72.13 H new ATOM 0 HD11 ILE A 46 -12.291 2.686 1.908 1.00 44.13 H new ATOM 0 HD12 ILE A 46 -11.779 0.987 2.036 1.00 44.13 H new ATOM 0 HD13 ILE A 46 -11.835 2.012 3.490 1.00 44.13 H new ATOM 748 N SER A 47 -8.012 -0.437 5.253 1.00 52.03 N ATOM 749 CA SER A 47 -6.820 -1.163 5.688 1.00 32.14 C ATOM 750 C SER A 47 -5.890 -1.408 4.487 1.00 10.33 C ATOM 751 O SER A 47 -6.354 -1.675 3.376 1.00 44.30 O ATOM 752 CB SER A 47 -7.212 -2.480 6.367 1.00 35.11 C ATOM 753 OG SER A 47 -6.079 -3.194 6.842 1.00 43.02 O ATOM 0 H SER A 47 -8.850 -1.009 5.145 1.00 52.03 H new ATOM 0 HA SER A 47 -6.282 -0.561 6.420 1.00 32.14 H new ATOM 0 HB2 SER A 47 -7.884 -2.272 7.199 1.00 35.11 H new ATOM 0 HB3 SER A 47 -7.762 -3.102 5.661 1.00 35.11 H new ATOM 0 HG SER A 47 -6.372 -4.026 7.269 1.00 43.02 H new ATOM 759 N LEU A 48 -4.580 -1.304 4.731 1.00 10.03 N ATOM 760 CA LEU A 48 -3.548 -1.509 3.702 1.00 60.22 C ATOM 761 C LEU A 48 -3.505 -2.989 3.301 1.00 22.52 C ATOM 762 O LEU A 48 -3.289 -3.329 2.132 1.00 50.11 O ATOM 763 CB LEU A 48 -2.192 -1.014 4.276 1.00 44.03 C ATOM 764 CG LEU A 48 -0.962 -0.885 3.345 1.00 30.13 C ATOM 765 CD1 LEU A 48 -0.246 -2.212 3.158 1.00 73.25 C ATOM 766 CD2 LEU A 48 -1.340 -0.292 2.002 1.00 14.03 C ATOM 0 H LEU A 48 -4.201 -1.075 5.650 1.00 10.03 H new ATOM 0 HA LEU A 48 -3.771 -0.942 2.798 1.00 60.22 H new ATOM 0 HB2 LEU A 48 -2.366 -0.035 4.722 1.00 44.03 H new ATOM 0 HB3 LEU A 48 -1.917 -1.689 5.086 1.00 44.03 H new ATOM 0 HG LEU A 48 -0.270 -0.202 3.837 1.00 30.13 H new ATOM 0 HD11 LEU A 48 0.610 -2.074 2.498 1.00 73.25 H new ATOM 0 HD12 LEU A 48 0.097 -2.580 4.125 1.00 73.25 H new ATOM 0 HD13 LEU A 48 -0.931 -2.936 2.717 1.00 73.25 H new ATOM 0 HD21 LEU A 48 -0.452 -0.216 1.375 1.00 14.03 H new ATOM 0 HD22 LEU A 48 -2.075 -0.933 1.515 1.00 14.03 H new ATOM 0 HD23 LEU A 48 -1.766 0.701 2.149 1.00 14.03 H new ATOM 778 N ALA A 49 -3.762 -3.853 4.282 1.00 52.13 N ATOM 779 CA ALA A 49 -3.799 -5.295 4.078 1.00 33.13 C ATOM 780 C ALA A 49 -5.111 -5.753 3.413 1.00 21.10 C ATOM 781 O ALA A 49 -5.218 -6.893 2.959 1.00 55.12 O ATOM 782 CB ALA A 49 -3.615 -5.981 5.412 1.00 54.50 C ATOM 0 H ALA A 49 -3.951 -3.568 5.243 1.00 52.13 H new ATOM 0 HA ALA A 49 -2.991 -5.569 3.400 1.00 33.13 H new ATOM 0 HB1 ALA A 49 -3.641 -7.062 5.272 1.00 54.50 H new ATOM 0 HB2 ALA A 49 -2.655 -5.693 5.840 1.00 54.50 H new ATOM 0 HB3 ALA A 49 -4.417 -5.683 6.088 1.00 54.50 H new ATOM 788 N ASP A 50 -6.097 -4.849 3.363 1.00 62.44 N ATOM 789 CA ASP A 50 -7.412 -5.138 2.788 1.00 21.05 C ATOM 790 C ASP A 50 -7.407 -4.939 1.269 1.00 73.35 C ATOM 791 O ASP A 50 -8.161 -5.610 0.557 1.00 20.15 O ATOM 792 CB ASP A 50 -8.471 -4.239 3.441 1.00 51.21 C ATOM 793 CG ASP A 50 -9.888 -4.527 2.977 1.00 32.45 C ATOM 794 OD1 ASP A 50 -10.468 -5.536 3.427 1.00 3.22 O ATOM 795 OD2 ASP A 50 -10.432 -3.737 2.176 1.00 43.22 O ATOM 0 H ASP A 50 -6.004 -3.898 3.720 1.00 62.44 H new ATOM 0 HA ASP A 50 -7.654 -6.182 2.986 1.00 21.05 H new ATOM 0 HB2 ASP A 50 -8.421 -4.361 4.523 1.00 51.21 H new ATOM 0 HB3 ASP A 50 -8.233 -3.197 3.226 1.00 51.21 H new ATOM 800 N ILE A 51 -6.550 -4.016 0.791 1.00 21.31 N ATOM 801 CA ILE A 51 -6.413 -3.713 -0.646 1.00 3.22 C ATOM 802 C ILE A 51 -5.994 -4.973 -1.414 1.00 14.44 C ATOM 803 O ILE A 51 -5.066 -5.655 -1.006 1.00 12.20 O ATOM 804 CB ILE A 51 -5.339 -2.608 -0.910 1.00 3.20 C ATOM 805 CG1 ILE A 51 -5.529 -1.370 -0.010 1.00 31.15 C ATOM 806 CG2 ILE A 51 -5.327 -2.187 -2.384 1.00 2.41 C ATOM 807 CD1 ILE A 51 -6.814 -0.600 -0.247 1.00 64.31 C ATOM 0 H ILE A 51 -5.936 -3.462 1.388 1.00 21.31 H new ATOM 0 HA ILE A 51 -7.384 -3.355 -0.987 1.00 3.22 H new ATOM 0 HB ILE A 51 -4.376 -3.053 -0.659 1.00 3.20 H new ATOM 0 HG12 ILE A 51 -5.500 -1.688 1.032 1.00 31.15 H new ATOM 0 HG13 ILE A 51 -4.686 -0.696 -0.161 1.00 31.15 H new ATOM 0 HG21 ILE A 51 -4.570 -1.418 -2.536 1.00 2.41 H new ATOM 0 HG22 ILE A 51 -5.097 -3.051 -3.007 1.00 2.41 H new ATOM 0 HG23 ILE A 51 -6.306 -1.793 -2.658 1.00 2.41 H new ATOM 0 HD11 ILE A 51 -6.858 0.252 0.432 1.00 64.31 H new ATOM 0 HD12 ILE A 51 -6.841 -0.245 -1.277 1.00 64.31 H new ATOM 0 HD13 ILE A 51 -7.668 -1.253 -0.066 1.00 64.31 H new ATOM 819 N ALA A 52 -6.710 -5.291 -2.488 1.00 12.24 N ATOM 820 CA ALA A 52 -6.380 -6.440 -3.326 1.00 63.11 C ATOM 821 C ALA A 52 -6.583 -6.108 -4.801 1.00 35.42 C ATOM 822 O ALA A 52 -7.423 -5.268 -5.143 1.00 13.40 O ATOM 823 CB ALA A 52 -7.216 -7.656 -2.934 1.00 43.14 C ATOM 0 H ALA A 52 -7.527 -4.766 -2.800 1.00 12.24 H new ATOM 0 HA ALA A 52 -5.329 -6.681 -3.168 1.00 63.11 H new ATOM 0 HB1 ALA A 52 -6.953 -8.500 -3.572 1.00 43.14 H new ATOM 0 HB2 ALA A 52 -7.019 -7.913 -1.893 1.00 43.14 H new ATOM 0 HB3 ALA A 52 -8.274 -7.425 -3.057 1.00 43.14 H new ATOM 829 N MET A 53 -5.822 -6.784 -5.666 1.00 25.01 N ATOM 830 CA MET A 53 -5.866 -6.567 -7.115 1.00 52.15 C ATOM 831 C MET A 53 -5.687 -7.914 -7.811 1.00 70.31 C ATOM 832 O MET A 53 -5.276 -8.887 -7.178 1.00 55.02 O ATOM 833 CB MET A 53 -4.781 -5.593 -7.613 1.00 31.22 C ATOM 834 CG MET A 53 -4.946 -4.141 -7.171 1.00 4.22 C ATOM 835 SD MET A 53 -3.972 -3.741 -5.708 1.00 64.14 S ATOM 836 CE MET A 53 -2.318 -4.001 -6.344 1.00 4.13 C ATOM 0 H MET A 53 -5.155 -7.501 -5.380 1.00 25.01 H new ATOM 0 HA MET A 53 -6.830 -6.116 -7.352 1.00 52.15 H new ATOM 0 HB2 MET A 53 -3.811 -5.951 -7.269 1.00 31.22 H new ATOM 0 HB3 MET A 53 -4.763 -5.623 -8.702 1.00 31.22 H new ATOM 0 HG2 MET A 53 -4.653 -3.482 -7.988 1.00 4.22 H new ATOM 0 HG3 MET A 53 -5.999 -3.946 -6.966 1.00 4.22 H new ATOM 0 HE1 MET A 53 -1.634 -4.182 -5.515 1.00 4.13 H new ATOM 0 HE2 MET A 53 -2.316 -4.863 -7.011 1.00 4.13 H new ATOM 0 HE3 MET A 53 -1.996 -3.116 -6.893 1.00 4.13 H new ATOM 846 N TYR A 54 -5.970 -7.977 -9.110 1.00 11.52 N ATOM 847 CA TYR A 54 -5.980 -9.257 -9.819 1.00 51.34 C ATOM 848 C TYR A 54 -4.851 -9.371 -10.835 1.00 12.35 C ATOM 849 O TYR A 54 -4.616 -8.475 -11.643 1.00 1.05 O ATOM 850 CB TYR A 54 -7.333 -9.495 -10.501 1.00 43.45 C ATOM 851 CG TYR A 54 -8.475 -9.682 -9.530 1.00 73.12 C ATOM 852 CD1 TYR A 54 -9.190 -8.594 -9.043 1.00 12.13 C ATOM 853 CD2 TYR A 54 -8.828 -10.949 -9.090 1.00 71.34 C ATOM 854 CE1 TYR A 54 -10.223 -8.764 -8.147 1.00 50.00 C ATOM 855 CE2 TYR A 54 -9.864 -11.129 -8.197 1.00 51.00 C ATOM 856 CZ TYR A 54 -10.556 -10.033 -7.728 1.00 60.24 C ATOM 857 OH TYR A 54 -11.586 -10.209 -6.836 1.00 4.43 O ATOM 0 H TYR A 54 -6.193 -7.167 -9.689 1.00 11.52 H new ATOM 0 HA TYR A 54 -5.819 -10.030 -9.067 1.00 51.34 H new ATOM 0 HB2 TYR A 54 -7.556 -8.650 -11.152 1.00 43.45 H new ATOM 0 HB3 TYR A 54 -7.260 -10.377 -11.137 1.00 43.45 H new ATOM 0 HD1 TYR A 54 -8.932 -7.598 -9.372 1.00 12.13 H new ATOM 0 HD2 TYR A 54 -8.283 -11.808 -9.452 1.00 71.34 H new ATOM 0 HE1 TYR A 54 -10.768 -7.908 -7.776 1.00 50.00 H new ATOM 0 HE2 TYR A 54 -10.131 -12.122 -7.867 1.00 51.00 H new ATOM 0 HH TYR A 54 -11.269 -10.730 -6.069 1.00 4.43 H new ATOM 867 N THR A 55 -4.161 -10.498 -10.773 1.00 70.13 N ATOM 868 CA THR A 55 -3.066 -10.815 -11.676 1.00 70.33 C ATOM 869 C THR A 55 -3.161 -12.325 -12.010 1.00 62.04 C ATOM 870 O THR A 55 -4.246 -12.902 -11.856 1.00 42.25 O ATOM 871 CB THR A 55 -1.703 -10.374 -11.033 1.00 73.23 C ATOM 872 OG1 THR A 55 -0.597 -10.565 -11.929 1.00 21.13 O ATOM 873 CG2 THR A 55 -1.432 -11.083 -9.711 1.00 61.32 C ATOM 0 H THR A 55 -4.348 -11.228 -10.085 1.00 70.13 H new ATOM 0 HA THR A 55 -3.128 -10.266 -12.616 1.00 70.33 H new ATOM 0 HB THR A 55 -1.800 -9.307 -10.831 1.00 73.23 H new ATOM 0 HG1 THR A 55 0.202 -10.134 -11.559 1.00 21.13 H new ATOM 0 HG21 THR A 55 -0.478 -10.745 -9.306 1.00 61.32 H new ATOM 0 HG22 THR A 55 -2.229 -10.852 -9.004 1.00 61.32 H new ATOM 0 HG23 THR A 55 -1.394 -12.160 -9.877 1.00 61.32 H new ATOM 881 N ASP A 56 -2.081 -12.963 -12.500 1.00 32.11 N ATOM 882 CA ASP A 56 -2.088 -14.415 -12.779 1.00 62.32 C ATOM 883 C ASP A 56 -1.811 -15.203 -11.489 1.00 40.41 C ATOM 884 O ASP A 56 -0.794 -15.888 -11.326 1.00 25.50 O ATOM 885 CB ASP A 56 -1.084 -14.770 -13.887 1.00 11.43 C ATOM 886 CG ASP A 56 -1.257 -16.189 -14.419 1.00 13.41 C ATOM 887 OD1 ASP A 56 -2.413 -16.652 -14.544 1.00 72.33 O ATOM 888 OD2 ASP A 56 -0.238 -16.847 -14.703 1.00 14.51 O ATOM 0 H ASP A 56 -1.197 -12.501 -12.710 1.00 32.11 H new ATOM 0 HA ASP A 56 -3.077 -14.696 -13.141 1.00 62.32 H new ATOM 0 HB2 ASP A 56 -1.195 -14.064 -14.710 1.00 11.43 H new ATOM 0 HB3 ASP A 56 -0.071 -14.654 -13.502 1.00 11.43 H new ATOM 893 N ALA A 57 -2.737 -15.013 -10.568 1.00 14.04 N ATOM 894 CA ALA A 57 -2.697 -15.519 -9.215 1.00 21.12 C ATOM 895 C ALA A 57 -4.112 -15.444 -8.656 1.00 21.12 C ATOM 896 O ALA A 57 -5.060 -15.180 -9.403 1.00 0.03 O ATOM 897 CB ALA A 57 -1.744 -14.669 -8.384 1.00 63.22 C ATOM 0 H ALA A 57 -3.581 -14.472 -10.757 1.00 14.04 H new ATOM 0 HA ALA A 57 -2.341 -16.549 -9.189 1.00 21.12 H new ATOM 0 HB1 ALA A 57 -1.713 -15.050 -7.363 1.00 63.22 H new ATOM 0 HB2 ALA A 57 -0.745 -14.712 -8.818 1.00 63.22 H new ATOM 0 HB3 ALA A 57 -2.091 -13.636 -8.376 1.00 63.22 H new ATOM 903 N GLU A 58 -4.263 -15.699 -7.363 1.00 51.30 N ATOM 904 CA GLU A 58 -5.423 -15.203 -6.601 1.00 32.03 C ATOM 905 C GLU A 58 -5.459 -13.656 -6.535 1.00 63.52 C ATOM 906 O GLU A 58 -4.712 -12.958 -7.235 1.00 5.21 O ATOM 907 CB GLU A 58 -5.378 -15.785 -5.188 1.00 22.33 C ATOM 908 CG GLU A 58 -5.660 -17.278 -5.120 1.00 21.53 C ATOM 909 CD GLU A 58 -5.492 -17.842 -3.725 1.00 31.13 C ATOM 910 OE1 GLU A 58 -6.289 -17.491 -2.832 1.00 33.02 O ATOM 911 OE2 GLU A 58 -4.551 -18.629 -3.511 1.00 51.02 O ATOM 0 H GLU A 58 -3.602 -16.246 -6.811 1.00 51.30 H new ATOM 0 HA GLU A 58 -6.329 -15.525 -7.115 1.00 32.03 H new ATOM 0 HB2 GLU A 58 -4.395 -15.592 -4.759 1.00 22.33 H new ATOM 0 HB3 GLU A 58 -6.105 -15.261 -4.568 1.00 22.33 H new ATOM 0 HG2 GLU A 58 -6.677 -17.467 -5.464 1.00 21.53 H new ATOM 0 HG3 GLU A 58 -4.990 -17.801 -5.802 1.00 21.53 H new ATOM 918 N GLU A 59 -6.328 -13.111 -5.687 1.00 2.51 N ATOM 919 CA GLU A 59 -6.396 -11.671 -5.514 1.00 22.35 C ATOM 920 C GLU A 59 -5.357 -11.263 -4.486 1.00 53.41 C ATOM 921 O GLU A 59 -5.515 -11.455 -3.279 1.00 52.05 O ATOM 922 CB GLU A 59 -7.814 -11.173 -5.164 1.00 64.25 C ATOM 923 CG GLU A 59 -8.534 -11.926 -4.049 1.00 21.12 C ATOM 924 CD GLU A 59 -9.897 -11.332 -3.741 1.00 63.21 C ATOM 925 OE1 GLU A 59 -10.881 -11.706 -4.415 1.00 20.54 O ATOM 926 OE2 GLU A 59 -9.995 -10.492 -2.822 1.00 11.05 O ATOM 0 H GLU A 59 -6.986 -13.642 -5.117 1.00 2.51 H new ATOM 0 HA GLU A 59 -6.169 -11.187 -6.464 1.00 22.35 H new ATOM 0 HB2 GLU A 59 -7.749 -10.122 -4.882 1.00 64.25 H new ATOM 0 HB3 GLU A 59 -8.427 -11.224 -6.064 1.00 64.25 H new ATOM 0 HG2 GLU A 59 -8.652 -12.971 -4.336 1.00 21.12 H new ATOM 0 HG3 GLU A 59 -7.921 -11.910 -3.148 1.00 21.12 H new ATOM 933 N VAL A 60 -4.263 -10.745 -5.008 1.00 65.02 N ATOM 934 CA VAL A 60 -3.089 -10.452 -4.222 1.00 34.55 C ATOM 935 C VAL A 60 -3.287 -9.158 -3.441 1.00 71.14 C ATOM 936 O VAL A 60 -3.677 -8.148 -4.031 1.00 53.11 O ATOM 937 CB VAL A 60 -1.827 -10.340 -5.123 1.00 23.42 C ATOM 938 CG1 VAL A 60 -0.597 -10.044 -4.313 1.00 64.44 C ATOM 939 CG2 VAL A 60 -1.583 -11.612 -5.889 1.00 72.00 C ATOM 0 H VAL A 60 -4.167 -10.515 -5.997 1.00 65.02 H new ATOM 0 HA VAL A 60 -2.938 -11.274 -3.522 1.00 34.55 H new ATOM 0 HB VAL A 60 -2.019 -9.521 -5.816 1.00 23.42 H new ATOM 0 HG11 VAL A 60 0.266 -9.972 -4.975 1.00 64.44 H new ATOM 0 HG12 VAL A 60 -0.728 -9.100 -3.784 1.00 64.44 H new ATOM 0 HG13 VAL A 60 -0.435 -10.845 -3.591 1.00 64.44 H new ATOM 0 HG21 VAL A 60 -0.693 -11.499 -6.508 1.00 72.00 H new ATOM 0 HG22 VAL A 60 -1.436 -12.435 -5.190 1.00 72.00 H new ATOM 0 HG23 VAL A 60 -2.443 -11.825 -6.524 1.00 72.00 H new ATOM 949 N PRO A 61 -3.056 -9.188 -2.101 1.00 3.15 N ATOM 950 CA PRO A 61 -3.032 -7.981 -1.276 1.00 51.42 C ATOM 951 C PRO A 61 -1.991 -6.980 -1.766 1.00 44.12 C ATOM 952 O PRO A 61 -0.974 -7.374 -2.361 1.00 52.40 O ATOM 953 CB PRO A 61 -2.648 -8.479 0.122 1.00 70.04 C ATOM 954 CG PRO A 61 -2.944 -9.937 0.126 1.00 15.23 C ATOM 955 CD PRO A 61 -2.812 -10.407 -1.294 1.00 64.41 C ATOM 0 HA PRO A 61 -3.991 -7.464 -1.304 1.00 51.42 H new ATOM 0 HB2 PRO A 61 -1.594 -8.293 0.328 1.00 70.04 H new ATOM 0 HB3 PRO A 61 -3.219 -7.961 0.893 1.00 70.04 H new ATOM 0 HG2 PRO A 61 -2.251 -10.471 0.777 1.00 15.23 H new ATOM 0 HG3 PRO A 61 -3.948 -10.127 0.505 1.00 15.23 H new ATOM 0 HD2 PRO A 61 -1.822 -10.821 -1.487 1.00 64.41 H new ATOM 0 HD3 PRO A 61 -3.535 -11.189 -1.524 1.00 64.41 H new ATOM 963 N LEU A 62 -2.241 -5.693 -1.497 1.00 53.11 N ATOM 964 CA LEU A 62 -1.319 -4.622 -1.865 1.00 32.13 C ATOM 965 C LEU A 62 0.022 -4.836 -1.190 1.00 45.31 C ATOM 966 O LEU A 62 1.036 -4.562 -1.788 1.00 63.45 O ATOM 967 CB LEU A 62 -1.873 -3.238 -1.492 1.00 13.45 C ATOM 968 CG LEU A 62 -1.125 -2.038 -2.098 1.00 71.31 C ATOM 969 CD1 LEU A 62 -1.154 -2.095 -3.609 1.00 32.21 C ATOM 970 CD2 LEU A 62 -1.736 -0.732 -1.648 1.00 23.43 C ATOM 0 H LEU A 62 -3.084 -5.370 -1.021 1.00 53.11 H new ATOM 0 HA LEU A 62 -1.195 -4.652 -2.948 1.00 32.13 H new ATOM 0 HB2 LEU A 62 -2.916 -3.188 -1.803 1.00 13.45 H new ATOM 0 HB3 LEU A 62 -1.859 -3.141 -0.406 1.00 13.45 H new ATOM 0 HG LEU A 62 -0.094 -2.091 -1.750 1.00 71.31 H new ATOM 0 HD11 LEU A 62 -0.619 -1.237 -4.016 1.00 32.21 H new ATOM 0 HD12 LEU A 62 -0.676 -3.014 -3.948 1.00 32.21 H new ATOM 0 HD13 LEU A 62 -2.188 -2.075 -3.954 1.00 32.21 H new ATOM 0 HD21 LEU A 62 -1.187 0.099 -2.092 1.00 23.43 H new ATOM 0 HD22 LEU A 62 -2.778 -0.689 -1.966 1.00 23.43 H new ATOM 0 HD23 LEU A 62 -1.685 -0.662 -0.561 1.00 23.43 H new ATOM 982 N SER A 63 -0.020 -5.405 0.023 1.00 3.14 N ATOM 983 CA SER A 63 1.161 -5.765 0.796 1.00 70.24 C ATOM 984 C SER A 63 2.143 -6.641 -0.004 1.00 33.34 C ATOM 985 O SER A 63 3.313 -6.286 -0.121 1.00 50.15 O ATOM 986 CB SER A 63 0.726 -6.505 2.061 1.00 11.40 C ATOM 987 OG SER A 63 -0.261 -5.776 2.766 1.00 74.12 O ATOM 0 H SER A 63 -0.895 -5.629 0.497 1.00 3.14 H new ATOM 0 HA SER A 63 1.684 -4.843 1.051 1.00 70.24 H new ATOM 0 HB2 SER A 63 0.336 -7.487 1.795 1.00 11.40 H new ATOM 0 HB3 SER A 63 1.590 -6.669 2.705 1.00 11.40 H new ATOM 0 HG SER A 63 -0.523 -6.272 3.570 1.00 74.12 H new ATOM 993 N GLU A 64 1.658 -7.720 -0.634 1.00 14.52 N ATOM 994 CA GLU A 64 2.550 -8.686 -1.282 1.00 33.11 C ATOM 995 C GLU A 64 3.235 -8.093 -2.514 1.00 20.45 C ATOM 996 O GLU A 64 4.442 -8.259 -2.688 1.00 72.15 O ATOM 997 CB GLU A 64 1.810 -9.959 -1.675 1.00 41.42 C ATOM 998 CG GLU A 64 1.161 -10.694 -0.520 1.00 72.41 C ATOM 999 CD GLU A 64 0.906 -12.149 -0.852 1.00 3.20 C ATOM 1000 OE1 GLU A 64 0.083 -12.428 -1.744 1.00 12.22 O ATOM 1001 OE2 GLU A 64 1.567 -13.014 -0.247 1.00 11.30 O ATOM 0 H GLU A 64 0.665 -7.943 -0.707 1.00 14.52 H new ATOM 0 HA GLU A 64 3.315 -8.936 -0.547 1.00 33.11 H new ATOM 0 HB2 GLU A 64 1.041 -9.706 -2.405 1.00 41.42 H new ATOM 0 HB3 GLU A 64 2.510 -10.632 -2.170 1.00 41.42 H new ATOM 0 HG2 GLU A 64 1.802 -10.629 0.359 1.00 72.41 H new ATOM 0 HG3 GLU A 64 0.219 -10.209 -0.264 1.00 72.41 H new ATOM 1008 N VAL A 65 2.465 -7.386 -3.348 1.00 34.34 N ATOM 1009 CA VAL A 65 3.023 -6.679 -4.518 1.00 73.15 C ATOM 1010 C VAL A 65 3.850 -5.418 -4.157 1.00 53.32 C ATOM 1011 O VAL A 65 4.642 -4.970 -4.987 1.00 72.13 O ATOM 1012 CB VAL A 65 1.935 -6.317 -5.560 1.00 40.11 C ATOM 1013 CG1 VAL A 65 1.418 -7.568 -6.246 1.00 40.23 C ATOM 1014 CG2 VAL A 65 0.780 -5.549 -4.933 1.00 2.43 C ATOM 0 H VAL A 65 1.456 -7.285 -3.240 1.00 34.34 H new ATOM 0 HA VAL A 65 3.713 -7.396 -4.963 1.00 73.15 H new ATOM 0 HB VAL A 65 2.401 -5.668 -6.302 1.00 40.11 H new ATOM 0 HG11 VAL A 65 0.655 -7.294 -6.974 1.00 40.23 H new ATOM 0 HG12 VAL A 65 2.241 -8.071 -6.754 1.00 40.23 H new ATOM 0 HG13 VAL A 65 0.987 -8.239 -5.503 1.00 40.23 H new ATOM 0 HG21 VAL A 65 0.040 -5.315 -5.699 1.00 2.43 H new ATOM 0 HG22 VAL A 65 0.318 -6.157 -4.156 1.00 2.43 H new ATOM 0 HG23 VAL A 65 1.154 -4.623 -4.495 1.00 2.43 H new ATOM 1024 N LEU A 66 3.661 -4.851 -2.942 1.00 62.54 N ATOM 1025 CA LEU A 66 4.506 -3.744 -2.433 1.00 35.11 C ATOM 1026 C LEU A 66 5.956 -4.192 -2.322 1.00 62.43 C ATOM 1027 O LEU A 66 6.852 -3.519 -2.815 1.00 64.32 O ATOM 1028 CB LEU A 66 4.070 -3.261 -1.035 1.00 51.00 C ATOM 1029 CG LEU A 66 2.837 -2.367 -0.937 1.00 4.02 C ATOM 1030 CD1 LEU A 66 2.360 -2.281 0.501 1.00 70.14 C ATOM 1031 CD2 LEU A 66 3.128 -0.981 -1.437 1.00 12.52 C ATOM 0 H LEU A 66 2.929 -5.143 -2.294 1.00 62.54 H new ATOM 0 HA LEU A 66 4.394 -2.928 -3.147 1.00 35.11 H new ATOM 0 HB2 LEU A 66 3.893 -4.142 -0.418 1.00 51.00 H new ATOM 0 HB3 LEU A 66 4.908 -2.724 -0.591 1.00 51.00 H new ATOM 0 HG LEU A 66 2.060 -2.812 -1.559 1.00 4.02 H new ATOM 0 HD11 LEU A 66 1.480 -1.640 0.555 1.00 70.14 H new ATOM 0 HD12 LEU A 66 2.105 -3.278 0.860 1.00 70.14 H new ATOM 0 HD13 LEU A 66 3.152 -1.863 1.123 1.00 70.14 H new ATOM 0 HD21 LEU A 66 2.230 -0.368 -1.354 1.00 12.52 H new ATOM 0 HD22 LEU A 66 3.925 -0.539 -0.840 1.00 12.52 H new ATOM 0 HD23 LEU A 66 3.440 -1.029 -2.480 1.00 12.52 H new ATOM 1043 N GLU A 67 6.165 -5.345 -1.680 1.00 72.34 N ATOM 1044 CA GLU A 67 7.495 -5.926 -1.542 1.00 40.24 C ATOM 1045 C GLU A 67 7.981 -6.487 -2.883 1.00 25.33 C ATOM 1046 O GLU A 67 9.127 -6.305 -3.208 1.00 25.35 O ATOM 1047 CB GLU A 67 7.515 -7.013 -0.441 1.00 63.10 C ATOM 1048 CG GLU A 67 8.825 -7.819 -0.325 1.00 34.03 C ATOM 1049 CD GLU A 67 10.055 -7.027 0.140 1.00 41.40 C ATOM 1050 OE1 GLU A 67 10.358 -5.949 -0.423 1.00 40.41 O ATOM 1051 OE2 GLU A 67 10.733 -7.493 1.077 1.00 51.23 O ATOM 0 H GLU A 67 5.422 -5.894 -1.247 1.00 72.34 H new ATOM 0 HA GLU A 67 8.182 -5.136 -1.238 1.00 40.24 H new ATOM 0 HB2 GLU A 67 7.316 -6.536 0.519 1.00 63.10 H new ATOM 0 HB3 GLU A 67 6.697 -7.708 -0.627 1.00 63.10 H new ATOM 0 HG2 GLU A 67 8.663 -8.643 0.370 1.00 34.03 H new ATOM 0 HG3 GLU A 67 9.046 -8.260 -1.297 1.00 34.03 H new ATOM 1058 N ALA A 68 7.082 -7.094 -3.671 1.00 21.32 N ATOM 1059 CA ALA A 68 7.452 -7.810 -4.909 1.00 61.42 C ATOM 1060 C ALA A 68 8.205 -6.940 -5.927 1.00 73.43 C ATOM 1061 O ALA A 68 9.266 -7.336 -6.414 1.00 43.22 O ATOM 1062 CB ALA A 68 6.212 -8.403 -5.560 1.00 40.50 C ATOM 0 H ALA A 68 6.081 -7.105 -3.473 1.00 21.32 H new ATOM 0 HA ALA A 68 8.140 -8.600 -4.607 1.00 61.42 H new ATOM 0 HB1 ALA A 68 6.496 -8.929 -6.472 1.00 40.50 H new ATOM 0 HB2 ALA A 68 5.738 -9.102 -4.871 1.00 40.50 H new ATOM 0 HB3 ALA A 68 5.512 -7.604 -5.805 1.00 40.50 H new ATOM 1068 N VAL A 69 7.673 -5.757 -6.237 1.00 20.13 N ATOM 1069 CA VAL A 69 8.314 -4.870 -7.214 1.00 71.55 C ATOM 1070 C VAL A 69 9.506 -4.097 -6.612 1.00 72.22 C ATOM 1071 O VAL A 69 10.501 -3.850 -7.298 1.00 12.31 O ATOM 1072 CB VAL A 69 7.301 -3.916 -7.915 1.00 11.21 C ATOM 1073 CG1 VAL A 69 6.367 -4.707 -8.812 1.00 23.50 C ATOM 1074 CG2 VAL A 69 6.476 -3.115 -6.930 1.00 52.12 C ATOM 0 H VAL A 69 6.811 -5.392 -5.833 1.00 20.13 H new ATOM 0 HA VAL A 69 8.717 -5.521 -7.990 1.00 71.55 H new ATOM 0 HB VAL A 69 7.892 -3.216 -8.505 1.00 11.21 H new ATOM 0 HG11 VAL A 69 5.665 -4.028 -9.295 1.00 23.50 H new ATOM 0 HG12 VAL A 69 6.948 -5.229 -9.572 1.00 23.50 H new ATOM 0 HG13 VAL A 69 5.816 -5.433 -8.214 1.00 23.50 H new ATOM 0 HG21 VAL A 69 5.788 -2.468 -7.474 1.00 52.12 H new ATOM 0 HG22 VAL A 69 5.909 -3.794 -6.293 1.00 52.12 H new ATOM 0 HG23 VAL A 69 7.136 -2.506 -6.313 1.00 52.12 H new ATOM 1084 N LYS A 70 9.400 -3.767 -5.321 1.00 42.25 N ATOM 1085 CA LYS A 70 10.437 -3.036 -4.575 1.00 2.11 C ATOM 1086 C LYS A 70 11.704 -3.884 -4.340 1.00 13.22 C ATOM 1087 O LYS A 70 12.812 -3.358 -4.343 1.00 31.54 O ATOM 1088 CB LYS A 70 9.845 -2.598 -3.238 1.00 74.22 C ATOM 1089 CG LYS A 70 10.691 -1.631 -2.431 1.00 33.12 C ATOM 1090 CD LYS A 70 10.004 -1.268 -1.119 1.00 33.53 C ATOM 1091 CE LYS A 70 9.812 -2.480 -0.211 1.00 52.41 C ATOM 1092 NZ LYS A 70 11.108 -3.118 0.151 1.00 3.32 N ATOM 0 H LYS A 70 8.584 -4.001 -4.756 1.00 42.25 H new ATOM 0 HA LYS A 70 10.745 -2.174 -5.167 1.00 2.11 H new ATOM 0 HB2 LYS A 70 8.875 -2.136 -3.424 1.00 74.22 H new ATOM 0 HB3 LYS A 70 9.664 -3.486 -2.633 1.00 74.22 H new ATOM 0 HG2 LYS A 70 11.664 -2.078 -2.225 1.00 33.12 H new ATOM 0 HG3 LYS A 70 10.872 -0.727 -3.013 1.00 33.12 H new ATOM 0 HD2 LYS A 70 10.596 -0.516 -0.597 1.00 33.53 H new ATOM 0 HD3 LYS A 70 9.034 -0.819 -1.332 1.00 33.53 H new ATOM 0 HE2 LYS A 70 9.293 -2.174 0.697 1.00 52.41 H new ATOM 0 HE3 LYS A 70 9.176 -3.210 -0.711 1.00 52.41 H new ATOM 0 HZ1 LYS A 70 11.163 -4.062 -0.282 1.00 3.32 H new ATOM 0 HZ2 LYS A 70 11.893 -2.531 -0.197 1.00 3.32 H new ATOM 0 HZ3 LYS A 70 11.174 -3.207 1.185 1.00 3.32 H new ATOM 1106 N LYS A 71 11.517 -5.195 -4.139 1.00 41.01 N ATOM 1107 CA LYS A 71 12.594 -6.131 -3.769 1.00 22.34 C ATOM 1108 C LYS A 71 13.498 -6.424 -4.966 1.00 5.02 C ATOM 1109 O LYS A 71 14.662 -6.789 -4.798 1.00 74.20 O ATOM 1110 CB LYS A 71 11.994 -7.438 -3.234 1.00 51.33 C ATOM 1111 CG LYS A 71 12.940 -8.279 -2.398 1.00 23.31 C ATOM 1112 CD LYS A 71 12.252 -9.525 -1.871 1.00 3.55 C ATOM 1113 CE LYS A 71 13.182 -10.352 -1.003 1.00 73.32 C ATOM 1114 NZ LYS A 71 12.503 -11.555 -0.460 1.00 24.02 N ATOM 0 H LYS A 71 10.605 -5.643 -4.229 1.00 41.01 H new ATOM 0 HA LYS A 71 13.197 -5.666 -2.989 1.00 22.34 H new ATOM 0 HB2 LYS A 71 11.116 -7.199 -2.634 1.00 51.33 H new ATOM 0 HB3 LYS A 71 11.650 -8.035 -4.078 1.00 51.33 H new ATOM 0 HG2 LYS A 71 13.803 -8.565 -2.999 1.00 23.31 H new ATOM 0 HG3 LYS A 71 13.314 -7.687 -1.563 1.00 23.31 H new ATOM 0 HD2 LYS A 71 11.373 -9.239 -1.294 1.00 3.55 H new ATOM 0 HD3 LYS A 71 11.901 -10.129 -2.708 1.00 3.55 H new ATOM 0 HE2 LYS A 71 14.050 -10.657 -1.588 1.00 73.32 H new ATOM 0 HE3 LYS A 71 13.551 -9.740 -0.180 1.00 73.32 H new ATOM 0 HZ1 LYS A 71 12.661 -11.609 0.566 1.00 24.02 H new ATOM 0 HZ2 LYS A 71 11.482 -11.493 -0.650 1.00 24.02 H new ATOM 0 HZ3 LYS A 71 12.889 -12.407 -0.915 1.00 24.02 H new ATOM 1128 N LYS A 72 12.945 -6.262 -6.171 1.00 62.22 N ATOM 1129 CA LYS A 72 13.715 -6.345 -7.413 1.00 22.14 C ATOM 1130 C LYS A 72 14.723 -5.178 -7.480 1.00 42.33 C ATOM 1131 O LYS A 72 15.838 -5.330 -7.981 1.00 64.54 O ATOM 1132 CB LYS A 72 12.738 -6.338 -8.611 1.00 65.04 C ATOM 1133 CG LYS A 72 13.375 -6.560 -9.979 1.00 24.11 C ATOM 1134 CD LYS A 72 13.703 -5.248 -10.666 1.00 13.42 C ATOM 1135 CE LYS A 72 14.621 -5.457 -11.848 1.00 1.12 C ATOM 1136 NZ LYS A 72 15.056 -4.168 -12.437 1.00 23.42 N ATOM 0 H LYS A 72 11.953 -6.070 -6.312 1.00 62.22 H new ATOM 0 HA LYS A 72 14.288 -7.272 -7.447 1.00 22.14 H new ATOM 0 HB2 LYS A 72 11.987 -7.111 -8.449 1.00 65.04 H new ATOM 0 HB3 LYS A 72 12.214 -5.382 -8.624 1.00 65.04 H new ATOM 0 HG2 LYS A 72 14.285 -7.148 -9.865 1.00 24.11 H new ATOM 0 HG3 LYS A 72 12.697 -7.139 -10.606 1.00 24.11 H new ATOM 0 HD2 LYS A 72 12.782 -4.770 -10.999 1.00 13.42 H new ATOM 0 HD3 LYS A 72 14.174 -4.571 -9.954 1.00 13.42 H new ATOM 0 HE2 LYS A 72 15.495 -6.027 -11.534 1.00 1.12 H new ATOM 0 HE3 LYS A 72 14.109 -6.050 -12.606 1.00 1.12 H new ATOM 0 HZ1 LYS A 72 15.724 -4.349 -13.213 1.00 23.42 H new ATOM 0 HZ2 LYS A 72 14.228 -3.657 -12.805 1.00 23.42 H new ATOM 0 HZ3 LYS A 72 15.521 -3.592 -11.707 1.00 23.42 H new ATOM 1150 N GLU A 73 14.323 -4.033 -6.919 1.00 73.20 N ATOM 1151 CA GLU A 73 15.185 -2.859 -6.811 1.00 23.33 C ATOM 1152 C GLU A 73 15.872 -2.837 -5.421 1.00 12.32 C ATOM 1153 O GLU A 73 15.940 -1.803 -4.748 1.00 30.34 O ATOM 1154 CB GLU A 73 14.340 -1.595 -7.074 1.00 61.33 C ATOM 1155 CG GLU A 73 15.157 -0.369 -7.469 1.00 51.34 C ATOM 1156 CD GLU A 73 14.318 0.741 -8.069 1.00 4.12 C ATOM 1157 OE1 GLU A 73 14.039 0.676 -9.284 1.00 44.45 O ATOM 1158 OE2 GLU A 73 13.975 1.702 -7.345 1.00 0.54 O ATOM 0 H GLU A 73 13.391 -3.897 -6.527 1.00 73.20 H new ATOM 0 HA GLU A 73 15.979 -2.893 -7.557 1.00 23.33 H new ATOM 0 HB2 GLU A 73 13.622 -1.810 -7.865 1.00 61.33 H new ATOM 0 HB3 GLU A 73 13.766 -1.362 -6.177 1.00 61.33 H new ATOM 0 HG2 GLU A 73 15.676 0.012 -6.590 1.00 51.34 H new ATOM 0 HG3 GLU A 73 15.922 -0.666 -8.187 1.00 51.34 H new ATOM 1165 N ASN A 74 16.340 -4.038 -4.998 1.00 75.41 N ATOM 1166 CA ASN A 74 17.171 -4.265 -3.787 1.00 61.41 C ATOM 1167 C ASN A 74 16.435 -4.041 -2.457 1.00 43.12 C ATOM 1168 O ASN A 74 17.052 -4.124 -1.395 1.00 42.34 O ATOM 1169 CB ASN A 74 18.465 -3.422 -3.824 1.00 72.42 C ATOM 1170 CG ASN A 74 19.441 -3.885 -4.886 1.00 4.43 C ATOM 1171 OD1 ASN A 74 19.373 -3.461 -6.039 1.00 55.51 O ATOM 1172 ND2 ASN A 74 20.371 -4.739 -4.498 1.00 42.05 N ATOM 0 H ASN A 74 16.144 -4.901 -5.505 1.00 75.41 H new ATOM 0 HA ASN A 74 17.423 -5.325 -3.821 1.00 61.41 H new ATOM 0 HB2 ASN A 74 18.208 -2.378 -4.005 1.00 72.42 H new ATOM 0 HB3 ASN A 74 18.949 -3.466 -2.849 1.00 72.42 H new ATOM 0 HD21 ASN A 74 21.068 -5.071 -5.164 1.00 42.05 H new ATOM 0 HD22 ASN A 74 20.392 -5.066 -3.532 1.00 42.05 H new ATOM 1179 N GLY A 75 15.119 -3.819 -2.498 1.00 13.12 N ATOM 1180 CA GLY A 75 14.374 -3.496 -1.292 1.00 74.04 C ATOM 1181 C GLY A 75 14.665 -2.097 -0.775 1.00 23.24 C ATOM 1182 O GLY A 75 14.815 -1.900 0.430 1.00 74.02 O ATOM 0 H GLY A 75 14.557 -3.858 -3.348 1.00 13.12 H new ATOM 0 HA2 GLY A 75 13.307 -3.589 -1.494 1.00 74.04 H new ATOM 0 HA3 GLY A 75 14.616 -4.222 -0.516 1.00 74.04 H new ATOM 1186 N ALA A 76 14.731 -1.134 -1.692 1.00 13.22 N ATOM 1187 CA ALA A 76 15.022 0.259 -1.350 1.00 73.24 C ATOM 1188 C ALA A 76 13.725 1.029 -1.045 1.00 32.34 C ATOM 1189 O ALA A 76 12.743 0.434 -0.610 1.00 3.43 O ATOM 1190 CB ALA A 76 15.807 0.901 -2.494 1.00 5.53 C ATOM 0 H ALA A 76 14.585 -1.295 -2.689 1.00 13.22 H new ATOM 0 HA ALA A 76 15.631 0.295 -0.447 1.00 73.24 H new ATOM 0 HB1 ALA A 76 16.027 1.939 -2.246 1.00 5.53 H new ATOM 0 HB2 ALA A 76 16.740 0.358 -2.645 1.00 5.53 H new ATOM 0 HB3 ALA A 76 15.214 0.864 -3.408 1.00 5.53 H new ATOM 1196 N VAL A 77 13.733 2.354 -1.248 1.00 14.12 N ATOM 1197 CA VAL A 77 12.542 3.192 -1.041 1.00 53.15 C ATOM 1198 C VAL A 77 11.730 3.228 -2.365 1.00 54.15 C ATOM 1199 O VAL A 77 11.842 2.298 -3.169 1.00 74.40 O ATOM 1200 CB VAL A 77 12.926 4.639 -0.569 1.00 55.01 C ATOM 1201 CG1 VAL A 77 11.843 5.237 0.323 1.00 1.22 C ATOM 1202 CG2 VAL A 77 14.263 4.670 0.168 1.00 75.22 C ATOM 0 H VAL A 77 14.556 2.871 -1.557 1.00 14.12 H new ATOM 0 HA VAL A 77 11.932 2.761 -0.247 1.00 53.15 H new ATOM 0 HB VAL A 77 13.019 5.240 -1.474 1.00 55.01 H new ATOM 0 HG11 VAL A 77 12.139 6.239 0.633 1.00 1.22 H new ATOM 0 HG12 VAL A 77 10.905 5.290 -0.230 1.00 1.22 H new ATOM 0 HG13 VAL A 77 11.710 4.609 1.204 1.00 1.22 H new ATOM 0 HG21 VAL A 77 14.486 5.692 0.475 1.00 75.22 H new ATOM 0 HG22 VAL A 77 14.208 4.031 1.049 1.00 75.22 H new ATOM 0 HG23 VAL A 77 15.051 4.310 -0.493 1.00 75.22 H new ATOM 1212 N ALA A 78 10.890 4.257 -2.580 1.00 40.02 N ATOM 1213 CA ALA A 78 10.140 4.408 -3.835 1.00 65.33 C ATOM 1214 C ALA A 78 11.065 4.572 -5.038 1.00 51.02 C ATOM 1215 O ALA A 78 11.025 3.756 -5.965 1.00 65.11 O ATOM 1216 CB ALA A 78 9.199 5.606 -3.746 1.00 10.30 C ATOM 0 H ALA A 78 10.715 4.996 -1.899 1.00 40.02 H new ATOM 0 HA ALA A 78 9.562 3.495 -3.978 1.00 65.33 H new ATOM 0 HB1 ALA A 78 8.649 5.707 -4.682 1.00 10.30 H new ATOM 0 HB2 ALA A 78 8.496 5.456 -2.926 1.00 10.30 H new ATOM 0 HB3 ALA A 78 9.779 6.511 -3.566 1.00 10.30 H new ATOM 1222 N SER A 79 11.865 5.662 -5.000 1.00 1.13 N ATOM 1223 CA SER A 79 12.864 6.044 -6.029 1.00 3.52 C ATOM 1224 C SER A 79 12.224 6.612 -7.316 1.00 3.22 C ATOM 1225 O SER A 79 12.729 7.582 -7.879 1.00 53.23 O ATOM 1226 CB SER A 79 13.827 4.888 -6.360 1.00 44.44 C ATOM 1227 OG SER A 79 14.466 4.401 -5.191 1.00 35.10 O ATOM 0 H SER A 79 11.833 6.325 -4.225 1.00 1.13 H new ATOM 0 HA SER A 79 13.446 6.850 -5.583 1.00 3.52 H new ATOM 0 HB2 SER A 79 13.277 4.079 -6.840 1.00 44.44 H new ATOM 0 HB3 SER A 79 14.578 5.230 -7.072 1.00 44.44 H new ATOM 0 HG SER A 79 15.070 3.667 -5.430 1.00 35.10 H new ATOM 1233 N ILE A 80 11.127 5.999 -7.766 1.00 22.33 N ATOM 1234 CA ILE A 80 10.351 6.466 -8.912 1.00 12.52 C ATOM 1235 C ILE A 80 9.586 7.767 -8.572 1.00 72.15 C ATOM 1236 O ILE A 80 9.708 8.750 -9.308 1.00 51.40 O ATOM 1237 CB ILE A 80 9.401 5.328 -9.443 1.00 14.05 C ATOM 1238 CG1 ILE A 80 8.384 5.859 -10.476 1.00 40.10 C ATOM 1239 CG2 ILE A 80 8.702 4.595 -8.298 1.00 42.40 C ATOM 1240 CD1 ILE A 80 7.459 4.800 -11.039 1.00 32.12 C ATOM 0 H ILE A 80 10.750 5.154 -7.338 1.00 22.33 H new ATOM 0 HA ILE A 80 11.039 6.711 -9.722 1.00 12.52 H new ATOM 0 HB ILE A 80 10.033 4.604 -9.957 1.00 14.05 H new ATOM 0 HG12 ILE A 80 7.783 6.639 -10.009 1.00 40.10 H new ATOM 0 HG13 ILE A 80 8.928 6.325 -11.298 1.00 40.10 H new ATOM 0 HG21 ILE A 80 8.055 3.817 -8.705 1.00 42.40 H new ATOM 0 HG22 ILE A 80 9.449 4.142 -7.646 1.00 42.40 H new ATOM 0 HG23 ILE A 80 8.102 5.303 -7.725 1.00 42.40 H new ATOM 0 HD11 ILE A 80 6.777 5.257 -11.756 1.00 32.12 H new ATOM 0 HD12 ILE A 80 8.048 4.030 -11.538 1.00 32.12 H new ATOM 0 HD13 ILE A 80 6.885 4.350 -10.229 1.00 32.12 H new ATOM 1252 N ASN A 81 8.856 7.752 -7.431 1.00 53.42 N ATOM 1253 CA ASN A 81 8.073 8.896 -6.882 1.00 43.23 C ATOM 1254 C ASN A 81 6.883 9.305 -7.761 1.00 63.33 C ATOM 1255 O ASN A 81 7.043 9.639 -8.929 1.00 3.22 O ATOM 1256 CB ASN A 81 8.946 10.129 -6.563 1.00 42.35 C ATOM 1257 CG ASN A 81 10.028 9.842 -5.542 1.00 31.40 C ATOM 1258 OD1 ASN A 81 9.777 9.823 -4.341 1.00 52.51 O ATOM 1259 ND2 ASN A 81 11.250 9.647 -6.012 1.00 53.52 N ATOM 0 H ASN A 81 8.791 6.919 -6.846 1.00 53.42 H new ATOM 0 HA ASN A 81 7.670 8.515 -5.943 1.00 43.23 H new ATOM 0 HB2 ASN A 81 9.408 10.487 -7.483 1.00 42.35 H new ATOM 0 HB3 ASN A 81 8.309 10.932 -6.193 1.00 42.35 H new ATOM 0 HD21 ASN A 81 12.022 9.473 -5.369 1.00 53.52 H new ATOM 0 HD22 ASN A 81 11.419 9.670 -7.018 1.00 53.52 H new ATOM 1266 N TYR A 82 5.685 9.323 -7.160 1.00 64.15 N ATOM 1267 CA TYR A 82 4.449 9.661 -7.881 1.00 33.32 C ATOM 1268 C TYR A 82 4.385 11.175 -8.167 1.00 3.32 C ATOM 1269 O TYR A 82 5.125 11.953 -7.547 1.00 55.00 O ATOM 1270 CB TYR A 82 3.197 9.192 -7.086 1.00 60.11 C ATOM 1271 CG TYR A 82 2.771 10.101 -5.938 1.00 3.24 C ATOM 1272 CD1 TYR A 82 3.539 10.226 -4.788 1.00 30.52 C ATOM 1273 CD2 TYR A 82 1.599 10.847 -6.024 1.00 3.33 C ATOM 1274 CE1 TYR A 82 3.157 11.067 -3.762 1.00 20.30 C ATOM 1275 CE2 TYR A 82 1.208 11.686 -5.001 1.00 33.00 C ATOM 1276 CZ TYR A 82 1.993 11.794 -3.871 1.00 75.44 C ATOM 1277 OH TYR A 82 1.620 12.643 -2.854 1.00 1.12 O ATOM 0 H TYR A 82 5.545 9.107 -6.173 1.00 64.15 H new ATOM 0 HA TYR A 82 4.456 9.134 -8.835 1.00 33.32 H new ATOM 0 HB2 TYR A 82 2.362 9.097 -7.780 1.00 60.11 H new ATOM 0 HB3 TYR A 82 3.394 8.198 -6.685 1.00 60.11 H new ATOM 0 HD1 TYR A 82 4.451 9.655 -4.695 1.00 30.52 H new ATOM 0 HD2 TYR A 82 0.984 10.768 -6.908 1.00 3.33 H new ATOM 0 HE1 TYR A 82 3.769 11.154 -2.877 1.00 20.30 H new ATOM 0 HE2 TYR A 82 0.294 12.255 -5.084 1.00 33.00 H new ATOM 0 HH TYR A 82 0.775 13.082 -3.087 1.00 1.12 H new ATOM 1287 N LYS A 83 3.523 11.556 -9.135 1.00 25.54 N ATOM 1288 CA LYS A 83 3.254 12.961 -9.551 1.00 14.34 C ATOM 1289 C LYS A 83 4.356 13.515 -10.469 1.00 2.02 C ATOM 1290 O LYS A 83 4.060 14.163 -11.478 1.00 31.50 O ATOM 1291 CB LYS A 83 2.969 13.898 -8.345 1.00 33.24 C ATOM 1292 CG LYS A 83 2.501 15.311 -8.711 1.00 21.33 C ATOM 1293 CD LYS A 83 1.236 15.320 -9.576 1.00 62.05 C ATOM 1294 CE LYS A 83 0.049 14.635 -8.902 1.00 34.11 C ATOM 1295 NZ LYS A 83 -0.364 15.323 -7.657 1.00 34.01 N ATOM 0 H LYS A 83 2.976 10.879 -9.667 1.00 25.54 H new ATOM 0 HA LYS A 83 2.337 12.935 -10.140 1.00 14.34 H new ATOM 0 HB2 LYS A 83 2.210 13.433 -7.716 1.00 33.24 H new ATOM 0 HB3 LYS A 83 3.876 13.977 -7.745 1.00 33.24 H new ATOM 0 HG2 LYS A 83 2.313 15.873 -7.796 1.00 21.33 H new ATOM 0 HG3 LYS A 83 3.301 15.826 -9.243 1.00 21.33 H new ATOM 0 HD2 LYS A 83 0.969 16.351 -9.810 1.00 62.05 H new ATOM 0 HD3 LYS A 83 1.446 14.823 -10.523 1.00 62.05 H new ATOM 0 HE2 LYS A 83 -0.792 14.606 -9.595 1.00 34.11 H new ATOM 0 HE3 LYS A 83 0.310 13.602 -8.674 1.00 34.11 H new ATOM 0 HZ1 LYS A 83 -1.214 14.863 -7.272 1.00 34.01 H new ATOM 0 HZ2 LYS A 83 0.405 15.270 -6.959 1.00 34.01 H new ATOM 0 HZ3 LYS A 83 -0.574 16.320 -7.865 1.00 34.01 H new ATOM 1309 N LYS A 84 5.613 13.236 -10.142 1.00 31.30 N ATOM 1310 CA LYS A 84 6.725 13.586 -11.013 1.00 62.53 C ATOM 1311 C LYS A 84 6.947 12.479 -12.053 1.00 73.14 C ATOM 1312 O LYS A 84 7.565 12.711 -13.089 1.00 40.44 O ATOM 1313 CB LYS A 84 8.012 13.857 -10.208 1.00 22.05 C ATOM 1314 CG LYS A 84 8.463 12.719 -9.295 1.00 40.31 C ATOM 1315 CD LYS A 84 9.931 12.357 -9.505 1.00 21.02 C ATOM 1316 CE LYS A 84 10.150 11.659 -10.839 1.00 73.25 C ATOM 1317 NZ LYS A 84 11.584 11.413 -11.120 1.00 54.11 N ATOM 0 H LYS A 84 5.886 12.768 -9.278 1.00 31.30 H new ATOM 0 HA LYS A 84 6.472 14.510 -11.534 1.00 62.53 H new ATOM 0 HB2 LYS A 84 8.818 14.081 -10.907 1.00 22.05 H new ATOM 0 HB3 LYS A 84 7.860 14.749 -9.601 1.00 22.05 H new ATOM 0 HG2 LYS A 84 8.307 13.006 -8.255 1.00 40.31 H new ATOM 0 HG3 LYS A 84 7.844 11.841 -9.479 1.00 40.31 H new ATOM 0 HD2 LYS A 84 10.539 13.261 -9.462 1.00 21.02 H new ATOM 0 HD3 LYS A 84 10.266 11.709 -8.695 1.00 21.02 H new ATOM 0 HE2 LYS A 84 9.614 10.710 -10.841 1.00 73.25 H new ATOM 0 HE3 LYS A 84 9.725 12.267 -11.638 1.00 73.25 H new ATOM 0 HZ1 LYS A 84 11.681 10.936 -12.039 1.00 54.11 H new ATOM 0 HZ2 LYS A 84 12.093 12.319 -11.145 1.00 54.11 H new ATOM 0 HZ3 LYS A 84 11.986 10.811 -10.373 1.00 54.11 H new ATOM 1331 N ALA A 85 6.444 11.276 -11.761 1.00 73.12 N ATOM 1332 CA ALA A 85 6.503 10.164 -12.699 1.00 52.42 C ATOM 1333 C ALA A 85 5.309 10.180 -13.632 1.00 74.13 C ATOM 1334 O ALA A 85 4.231 10.680 -13.282 1.00 31.44 O ATOM 1335 CB ALA A 85 6.555 8.833 -11.967 1.00 70.04 C ATOM 0 H ALA A 85 5.990 11.052 -10.876 1.00 73.12 H new ATOM 0 HA ALA A 85 7.415 10.280 -13.285 1.00 52.42 H new ATOM 0 HB1 ALA A 85 6.598 8.020 -12.692 1.00 70.04 H new ATOM 0 HB2 ALA A 85 7.441 8.801 -11.333 1.00 70.04 H new ATOM 0 HB3 ALA A 85 5.663 8.722 -11.350 1.00 70.04 H new ATOM 1341 N SER A 86 5.508 9.634 -14.817 1.00 14.23 N ATOM 1342 CA SER A 86 4.450 9.526 -15.799 1.00 4.13 C ATOM 1343 C SER A 86 3.736 8.176 -15.669 1.00 33.23 C ATOM 1344 O SER A 86 4.133 7.331 -14.860 1.00 3.54 O ATOM 1345 CB SER A 86 5.047 9.681 -17.199 1.00 71.12 C ATOM 1346 OG SER A 86 5.778 10.889 -17.306 1.00 50.22 O ATOM 0 H SER A 86 6.404 9.255 -15.123 1.00 14.23 H new ATOM 0 HA SER A 86 3.717 10.315 -15.629 1.00 4.13 H new ATOM 0 HB2 SER A 86 5.700 8.836 -17.416 1.00 71.12 H new ATOM 0 HB3 SER A 86 4.250 9.667 -17.942 1.00 71.12 H new ATOM 0 HG SER A 86 6.152 10.966 -18.209 1.00 50.22 H new ATOM 1352 N ALA A 87 2.683 7.985 -16.468 1.00 12.01 N ATOM 1353 CA ALA A 87 1.988 6.695 -16.565 1.00 72.11 C ATOM 1354 C ALA A 87 2.876 5.649 -17.245 1.00 51.33 C ATOM 1355 O ALA A 87 2.777 4.458 -16.958 1.00 4.13 O ATOM 1356 CB ALA A 87 0.675 6.850 -17.321 1.00 70.03 C ATOM 0 H ALA A 87 2.289 8.714 -17.063 1.00 12.01 H new ATOM 0 HA ALA A 87 1.767 6.352 -15.554 1.00 72.11 H new ATOM 0 HB1 ALA A 87 0.174 5.884 -17.383 1.00 70.03 H new ATOM 0 HB2 ALA A 87 0.034 7.558 -16.796 1.00 70.03 H new ATOM 0 HB3 ALA A 87 0.876 7.220 -18.327 1.00 70.03 H new ATOM 1362 N ASP A 88 3.758 6.130 -18.131 1.00 42.01 N ATOM 1363 CA ASP A 88 4.766 5.302 -18.808 1.00 65.32 C ATOM 1364 C ASP A 88 5.769 4.745 -17.796 1.00 72.03 C ATOM 1365 O ASP A 88 6.095 3.559 -17.815 1.00 40.30 O ATOM 1366 CB ASP A 88 5.532 6.144 -19.840 1.00 65.02 C ATOM 1367 CG ASP A 88 4.630 6.913 -20.797 1.00 12.22 C ATOM 1368 OD1 ASP A 88 4.229 8.051 -20.460 1.00 72.21 O ATOM 1369 OD2 ASP A 88 4.329 6.398 -21.891 1.00 21.05 O ATOM 0 H ASP A 88 3.793 7.113 -18.401 1.00 42.01 H new ATOM 0 HA ASP A 88 4.251 4.479 -19.304 1.00 65.32 H new ATOM 0 HB2 ASP A 88 6.174 6.850 -19.314 1.00 65.02 H new ATOM 0 HB3 ASP A 88 6.184 5.489 -20.417 1.00 65.02 H new ATOM 1374 N GLU A 89 6.216 5.628 -16.896 1.00 42.00 N ATOM 1375 CA GLU A 89 7.212 5.306 -15.869 1.00 61.51 C ATOM 1376 C GLU A 89 6.649 4.362 -14.810 1.00 30.00 C ATOM 1377 O GLU A 89 7.348 3.471 -14.323 1.00 55.43 O ATOM 1378 CB GLU A 89 7.685 6.590 -15.181 1.00 21.33 C ATOM 1379 CG GLU A 89 8.331 7.598 -16.115 1.00 23.32 C ATOM 1380 CD GLU A 89 9.601 7.077 -16.764 1.00 44.32 C ATOM 1381 OE1 GLU A 89 10.654 7.061 -16.094 1.00 21.42 O ATOM 1382 OE2 GLU A 89 9.550 6.698 -17.950 1.00 23.33 O ATOM 0 H GLU A 89 5.893 6.595 -16.860 1.00 42.00 H new ATOM 0 HA GLU A 89 8.045 4.811 -16.368 1.00 61.51 H new ATOM 0 HB2 GLU A 89 6.833 7.061 -14.691 1.00 21.33 H new ATOM 0 HB3 GLU A 89 8.398 6.328 -14.399 1.00 21.33 H new ATOM 0 HG2 GLU A 89 7.619 7.873 -16.893 1.00 23.32 H new ATOM 0 HG3 GLU A 89 8.561 8.506 -15.558 1.00 23.32 H new ATOM 1389 N LEU A 90 5.377 4.578 -14.478 1.00 13.12 N ATOM 1390 CA LEU A 90 4.689 3.836 -13.431 1.00 40.21 C ATOM 1391 C LEU A 90 4.392 2.401 -13.870 1.00 53.03 C ATOM 1392 O LEU A 90 4.520 1.461 -13.077 1.00 2.14 O ATOM 1393 CB LEU A 90 3.386 4.550 -13.078 1.00 75.10 C ATOM 1394 CG LEU A 90 2.741 4.100 -11.778 1.00 74.44 C ATOM 1395 CD1 LEU A 90 3.404 4.782 -10.593 1.00 3.53 C ATOM 1396 CD2 LEU A 90 1.260 4.378 -11.809 1.00 55.55 C ATOM 0 H LEU A 90 4.793 5.279 -14.934 1.00 13.12 H new ATOM 0 HA LEU A 90 5.338 3.792 -12.556 1.00 40.21 H new ATOM 0 HB2 LEU A 90 3.580 5.621 -13.018 1.00 75.10 H new ATOM 0 HB3 LEU A 90 2.675 4.400 -13.890 1.00 75.10 H new ATOM 0 HG LEU A 90 2.882 3.025 -11.667 1.00 74.44 H new ATOM 0 HD11 LEU A 90 2.930 4.449 -9.670 1.00 3.53 H new ATOM 0 HD12 LEU A 90 4.463 4.525 -10.571 1.00 3.53 H new ATOM 0 HD13 LEU A 90 3.295 5.862 -10.687 1.00 3.53 H new ATOM 0 HD21 LEU A 90 0.809 4.051 -10.872 1.00 55.55 H new ATOM 0 HD22 LEU A 90 1.093 5.447 -11.939 1.00 55.55 H new ATOM 0 HD23 LEU A 90 0.805 3.837 -12.639 1.00 55.55 H new ATOM 1408 N HIS A 91 4.008 2.244 -15.143 1.00 51.35 N ATOM 1409 CA HIS A 91 3.726 0.931 -15.715 1.00 31.44 C ATOM 1410 C HIS A 91 5.020 0.130 -15.877 1.00 22.22 C ATOM 1411 O HIS A 91 5.026 -1.067 -15.652 1.00 24.22 O ATOM 1412 CB HIS A 91 3.013 1.091 -17.071 1.00 43.34 C ATOM 1413 CG HIS A 91 2.303 -0.142 -17.570 1.00 63.23 C ATOM 1414 ND1 HIS A 91 2.904 -1.095 -18.368 1.00 61.00 N ATOM 1415 CD2 HIS A 91 1.026 -0.563 -17.392 1.00 53.13 C ATOM 1416 CE1 HIS A 91 2.030 -2.041 -18.659 1.00 70.14 C ATOM 1417 NE2 HIS A 91 0.882 -1.745 -18.080 1.00 71.01 N ATOM 0 H HIS A 91 3.886 3.018 -15.796 1.00 51.35 H new ATOM 0 HA HIS A 91 3.070 0.384 -15.038 1.00 31.44 H new ATOM 0 HB2 HIS A 91 2.288 1.901 -16.989 1.00 43.34 H new ATOM 0 HB3 HIS A 91 3.748 1.395 -17.817 1.00 43.34 H new ATOM 0 HD2 HIS A 91 0.262 -0.062 -16.816 1.00 53.13 H new ATOM 0 HE1 HIS A 91 2.223 -2.911 -19.269 1.00 70.14 H new ATOM 0 HE2 HIS A 91 0.029 -2.301 -18.134 1.00 71.01 H new ATOM 1426 N ALA A 92 6.118 0.814 -16.228 1.00 12.22 N ATOM 1427 CA ALA A 92 7.421 0.165 -16.425 1.00 1.20 C ATOM 1428 C ALA A 92 8.015 -0.346 -15.110 1.00 1.15 C ATOM 1429 O ALA A 92 8.768 -1.323 -15.101 1.00 24.10 O ATOM 1430 CB ALA A 92 8.390 1.120 -17.107 1.00 21.20 C ATOM 0 H ALA A 92 6.129 1.822 -16.382 1.00 12.22 H new ATOM 0 HA ALA A 92 7.259 -0.701 -17.067 1.00 1.20 H new ATOM 0 HB1 ALA A 92 9.351 0.625 -17.246 1.00 21.20 H new ATOM 0 HB2 ALA A 92 7.989 1.414 -18.077 1.00 21.20 H new ATOM 0 HB3 ALA A 92 8.525 2.006 -16.487 1.00 21.20 H new ATOM 1436 N TYR A 93 7.645 0.308 -14.007 1.00 22.13 N ATOM 1437 CA TYR A 93 8.106 -0.074 -12.679 1.00 2.34 C ATOM 1438 C TYR A 93 7.424 -1.366 -12.214 1.00 54.43 C ATOM 1439 O TYR A 93 8.097 -2.321 -11.814 1.00 12.14 O ATOM 1440 CB TYR A 93 7.833 1.072 -11.685 1.00 53.55 C ATOM 1441 CG TYR A 93 8.469 0.900 -10.314 1.00 12.01 C ATOM 1442 CD1 TYR A 93 9.809 1.205 -10.110 1.00 12.44 C ATOM 1443 CD2 TYR A 93 7.734 0.436 -9.227 1.00 34.52 C ATOM 1444 CE1 TYR A 93 10.399 1.053 -8.869 1.00 43.04 C ATOM 1445 CE2 TYR A 93 8.318 0.283 -7.983 1.00 10.00 C ATOM 1446 CZ TYR A 93 9.651 0.591 -7.809 1.00 21.41 C ATOM 1447 OH TYR A 93 10.238 0.437 -6.572 1.00 14.43 O ATOM 0 H TYR A 93 7.020 1.114 -14.013 1.00 22.13 H new ATOM 0 HA TYR A 93 9.179 -0.260 -12.721 1.00 2.34 H new ATOM 0 HB2 TYR A 93 8.192 2.004 -12.121 1.00 53.55 H new ATOM 0 HB3 TYR A 93 6.755 1.174 -11.559 1.00 53.55 H new ATOM 0 HD1 TYR A 93 10.401 1.568 -10.937 1.00 12.44 H new ATOM 0 HD2 TYR A 93 6.690 0.191 -9.357 1.00 34.52 H new ATOM 0 HE1 TYR A 93 11.442 1.296 -8.731 1.00 43.04 H new ATOM 0 HE2 TYR A 93 7.732 -0.077 -7.150 1.00 10.00 H new ATOM 0 HH TYR A 93 9.567 0.578 -5.872 1.00 14.43 H new ATOM 1457 N PHE A 94 6.093 -1.391 -12.286 1.00 64.20 N ATOM 1458 CA PHE A 94 5.310 -2.476 -11.705 1.00 13.45 C ATOM 1459 C PHE A 94 5.267 -3.719 -12.620 1.00 13.13 C ATOM 1460 O PHE A 94 5.318 -4.849 -12.133 1.00 33.42 O ATOM 1461 CB PHE A 94 3.899 -1.977 -11.374 1.00 13.33 C ATOM 1462 CG PHE A 94 3.205 -2.769 -10.299 1.00 14.21 C ATOM 1463 CD1 PHE A 94 3.348 -2.419 -8.966 1.00 63.33 C ATOM 1464 CD2 PHE A 94 2.412 -3.858 -10.615 1.00 73.54 C ATOM 1465 CE1 PHE A 94 2.714 -3.143 -7.977 1.00 51.22 C ATOM 1466 CE2 PHE A 94 1.777 -4.582 -9.633 1.00 61.43 C ATOM 1467 CZ PHE A 94 1.928 -4.224 -8.314 1.00 21.43 C ATOM 0 H PHE A 94 5.536 -0.669 -12.743 1.00 64.20 H new ATOM 0 HA PHE A 94 5.800 -2.790 -10.783 1.00 13.45 H new ATOM 0 HB2 PHE A 94 3.958 -0.934 -11.062 1.00 13.33 H new ATOM 0 HB3 PHE A 94 3.293 -2.005 -12.280 1.00 13.33 H new ATOM 0 HD1 PHE A 94 3.962 -1.571 -8.698 1.00 63.33 H new ATOM 0 HD2 PHE A 94 2.290 -4.144 -11.649 1.00 73.54 H new ATOM 0 HE1 PHE A 94 2.833 -2.863 -6.941 1.00 51.22 H new ATOM 0 HE2 PHE A 94 1.162 -5.429 -9.897 1.00 61.43 H new ATOM 0 HZ PHE A 94 1.430 -4.791 -7.541 1.00 21.43 H new ATOM 1477 N ALA A 95 5.206 -3.507 -13.946 1.00 51.11 N ATOM 1478 CA ALA A 95 5.031 -4.614 -14.910 1.00 60.24 C ATOM 1479 C ALA A 95 6.333 -5.364 -15.210 1.00 14.24 C ATOM 1480 O ALA A 95 6.344 -6.317 -15.995 1.00 32.12 O ATOM 1481 CB ALA A 95 4.418 -4.121 -16.213 1.00 54.55 C ATOM 0 H ALA A 95 5.275 -2.585 -14.376 1.00 51.11 H new ATOM 0 HA ALA A 95 4.350 -5.316 -14.429 1.00 60.24 H new ATOM 0 HB1 ALA A 95 4.302 -4.959 -16.901 1.00 54.55 H new ATOM 0 HB2 ALA A 95 3.442 -3.679 -16.012 1.00 54.55 H new ATOM 0 HB3 ALA A 95 5.070 -3.371 -16.661 1.00 54.55 H new ATOM 1487 N GLU A 96 7.415 -4.928 -14.583 1.00 41.52 N ATOM 1488 CA GLU A 96 8.700 -5.592 -14.687 1.00 3.21 C ATOM 1489 C GLU A 96 8.715 -6.854 -13.813 1.00 10.24 C ATOM 1490 O GLU A 96 9.312 -7.870 -14.176 1.00 33.55 O ATOM 1491 CB GLU A 96 9.791 -4.600 -14.286 1.00 70.11 C ATOM 1492 CG GLU A 96 11.212 -5.088 -14.507 1.00 1.22 C ATOM 1493 CD GLU A 96 12.219 -3.969 -14.376 1.00 41.22 C ATOM 1494 OE1 GLU A 96 12.362 -3.417 -13.273 1.00 22.02 O ATOM 1495 OE2 GLU A 96 12.868 -3.624 -15.381 1.00 31.05 O ATOM 0 H GLU A 96 7.424 -4.101 -13.986 1.00 41.52 H new ATOM 0 HA GLU A 96 8.884 -5.915 -15.712 1.00 3.21 H new ATOM 0 HB2 GLU A 96 9.648 -3.678 -14.849 1.00 70.11 H new ATOM 0 HB3 GLU A 96 9.667 -4.353 -13.232 1.00 70.11 H new ATOM 0 HG2 GLU A 96 11.443 -5.871 -13.785 1.00 1.22 H new ATOM 0 HG3 GLU A 96 11.292 -5.535 -15.498 1.00 1.22 H new ATOM 1502 N VAL A 97 8.011 -6.798 -12.683 1.00 1.35 N ATOM 1503 CA VAL A 97 7.888 -7.954 -11.797 1.00 74.21 C ATOM 1504 C VAL A 97 6.544 -8.655 -12.028 1.00 61.21 C ATOM 1505 O VAL A 97 6.474 -9.886 -12.055 1.00 5.25 O ATOM 1506 CB VAL A 97 8.047 -7.560 -10.302 1.00 21.23 C ATOM 1507 CG1 VAL A 97 8.069 -8.788 -9.396 1.00 64.32 C ATOM 1508 CG2 VAL A 97 9.308 -6.740 -10.094 1.00 12.13 C ATOM 0 H VAL A 97 7.518 -5.966 -12.360 1.00 1.35 H new ATOM 0 HA VAL A 97 8.698 -8.643 -12.038 1.00 74.21 H new ATOM 0 HB VAL A 97 7.181 -6.956 -10.032 1.00 21.23 H new ATOM 0 HG11 VAL A 97 8.181 -8.473 -8.359 1.00 64.32 H new ATOM 0 HG12 VAL A 97 7.136 -9.340 -9.508 1.00 64.32 H new ATOM 0 HG13 VAL A 97 8.906 -9.430 -9.673 1.00 64.32 H new ATOM 0 HG21 VAL A 97 9.400 -6.475 -9.041 1.00 12.13 H new ATOM 0 HG22 VAL A 97 10.176 -7.324 -10.398 1.00 12.13 H new ATOM 0 HG23 VAL A 97 9.254 -5.831 -10.694 1.00 12.13 H new ATOM 1518 N LEU A 98 5.482 -7.864 -12.206 1.00 3.14 N ATOM 1519 CA LEU A 98 4.153 -8.401 -12.504 1.00 12.53 C ATOM 1520 C LEU A 98 3.725 -8.004 -13.922 1.00 10.44 C ATOM 1521 O LEU A 98 3.123 -6.949 -14.113 1.00 4.01 O ATOM 1522 CB LEU A 98 3.085 -7.915 -11.490 1.00 4.41 C ATOM 1523 CG LEU A 98 3.034 -8.613 -10.113 1.00 30.44 C ATOM 1524 CD1 LEU A 98 3.071 -10.129 -10.260 1.00 54.24 C ATOM 1525 CD2 LEU A 98 4.137 -8.121 -9.184 1.00 61.31 C ATOM 0 H LEU A 98 5.518 -6.846 -12.148 1.00 3.14 H new ATOM 0 HA LEU A 98 4.222 -9.486 -12.426 1.00 12.53 H new ATOM 0 HB2 LEU A 98 3.243 -6.850 -11.321 1.00 4.41 H new ATOM 0 HB3 LEU A 98 2.106 -8.022 -11.957 1.00 4.41 H new ATOM 0 HG LEU A 98 2.083 -8.345 -9.653 1.00 30.44 H new ATOM 0 HD11 LEU A 98 3.034 -10.591 -9.274 1.00 54.24 H new ATOM 0 HD12 LEU A 98 2.214 -10.459 -10.848 1.00 54.24 H new ATOM 0 HD13 LEU A 98 3.992 -10.423 -10.764 1.00 54.24 H new ATOM 0 HD21 LEU A 98 4.064 -8.638 -8.227 1.00 61.31 H new ATOM 0 HD22 LEU A 98 5.109 -8.325 -9.633 1.00 61.31 H new ATOM 0 HD23 LEU A 98 4.028 -7.048 -9.026 1.00 61.31 H new ATOM 1537 N PRO A 99 4.027 -8.843 -14.947 1.00 4.51 N ATOM 1538 CA PRO A 99 3.722 -8.517 -16.352 1.00 33.52 C ATOM 1539 C PRO A 99 2.253 -8.748 -16.737 1.00 72.34 C ATOM 1540 O PRO A 99 1.814 -8.344 -17.816 1.00 43.04 O ATOM 1541 CB PRO A 99 4.644 -9.457 -17.128 1.00 72.41 C ATOM 1542 CG PRO A 99 4.826 -10.647 -16.245 1.00 52.25 C ATOM 1543 CD PRO A 99 4.704 -10.155 -14.827 1.00 61.42 C ATOM 0 HA PRO A 99 3.879 -7.459 -16.561 1.00 33.52 H new ATOM 0 HB2 PRO A 99 4.203 -9.740 -18.084 1.00 72.41 H new ATOM 0 HB3 PRO A 99 5.599 -8.979 -17.347 1.00 72.41 H new ATOM 0 HG2 PRO A 99 4.073 -11.406 -16.458 1.00 52.25 H new ATOM 0 HG3 PRO A 99 5.799 -11.108 -16.412 1.00 52.25 H new ATOM 0 HD2 PRO A 99 4.124 -10.846 -14.215 1.00 61.42 H new ATOM 0 HD3 PRO A 99 5.682 -10.056 -14.356 1.00 61.42 H new ATOM 1551 N ASN A 100 1.501 -9.381 -15.838 1.00 44.14 N ATOM 1552 CA ASN A 100 0.078 -9.648 -16.039 1.00 21.33 C ATOM 1553 C ASN A 100 -0.759 -8.447 -15.562 1.00 44.44 C ATOM 1554 O ASN A 100 -1.957 -8.361 -15.836 1.00 63.50 O ATOM 1555 CB ASN A 100 -0.302 -10.920 -15.272 1.00 21.55 C ATOM 1556 CG ASN A 100 -1.615 -11.558 -15.701 1.00 33.24 C ATOM 1557 OD1 ASN A 100 -1.643 -12.394 -16.594 1.00 20.34 O ATOM 1558 ND2 ASN A 100 -2.705 -11.181 -15.053 1.00 22.10 N ATOM 0 H ASN A 100 1.862 -9.724 -14.948 1.00 44.14 H new ATOM 0 HA ASN A 100 -0.126 -9.797 -17.099 1.00 21.33 H new ATOM 0 HB2 ASN A 100 0.497 -11.652 -15.392 1.00 21.55 H new ATOM 0 HB3 ASN A 100 -0.360 -10.683 -14.210 1.00 21.55 H new ATOM 0 HD21 ASN A 100 -3.608 -11.590 -15.293 1.00 22.10 H new ATOM 0 HD22 ASN A 100 -2.642 -10.481 -14.314 1.00 22.10 H new ATOM 1565 N TYR A 101 -0.105 -7.514 -14.857 1.00 34.04 N ATOM 1566 CA TYR A 101 -0.746 -6.297 -14.371 1.00 50.41 C ATOM 1567 C TYR A 101 -1.077 -5.354 -15.530 1.00 45.44 C ATOM 1568 O TYR A 101 -0.243 -5.112 -16.415 1.00 63.13 O ATOM 1569 CB TYR A 101 0.160 -5.617 -13.298 1.00 55.33 C ATOM 1570 CG TYR A 101 0.410 -4.112 -13.458 1.00 21.42 C ATOM 1571 CD1 TYR A 101 -0.486 -3.169 -12.968 1.00 42.43 C ATOM 1572 CD2 TYR A 101 1.551 -3.647 -14.095 1.00 2.51 C ATOM 1573 CE1 TYR A 101 -0.256 -1.818 -13.113 1.00 42.11 C ATOM 1574 CE2 TYR A 101 1.787 -2.295 -14.242 1.00 23.22 C ATOM 1575 CZ TYR A 101 0.881 -1.386 -13.750 1.00 11.22 C ATOM 1576 OH TYR A 101 1.114 -0.036 -13.892 1.00 4.55 O ATOM 0 H TYR A 101 0.882 -7.587 -14.611 1.00 34.04 H new ATOM 0 HA TYR A 101 -1.693 -6.554 -13.896 1.00 50.41 H new ATOM 0 HB2 TYR A 101 -0.289 -5.785 -12.319 1.00 55.33 H new ATOM 0 HB3 TYR A 101 1.125 -6.124 -13.298 1.00 55.33 H new ATOM 0 HD1 TYR A 101 -1.381 -3.502 -12.463 1.00 42.43 H new ATOM 0 HD2 TYR A 101 2.268 -4.356 -14.483 1.00 2.51 H new ATOM 0 HE1 TYR A 101 -0.967 -1.102 -12.727 1.00 42.11 H new ATOM 0 HE2 TYR A 101 2.681 -1.952 -14.742 1.00 23.22 H new ATOM 0 HH TYR A 101 0.520 0.463 -13.293 1.00 4.55 H new ATOM 1586 N ASP A 102 -2.310 -4.868 -15.521 1.00 1.43 N ATOM 1587 CA ASP A 102 -2.710 -3.763 -16.372 1.00 4.35 C ATOM 1588 C ASP A 102 -3.871 -3.018 -15.718 1.00 70.53 C ATOM 1589 O ASP A 102 -4.439 -3.510 -14.742 1.00 51.02 O ATOM 1590 CB ASP A 102 -3.079 -4.234 -17.782 1.00 23.23 C ATOM 1591 CG ASP A 102 -2.593 -3.254 -18.833 1.00 5.22 C ATOM 1592 OD1 ASP A 102 -1.410 -3.339 -19.226 1.00 70.00 O ATOM 1593 OD2 ASP A 102 -3.378 -2.381 -19.248 1.00 54.34 O ATOM 0 H ASP A 102 -3.056 -5.228 -14.926 1.00 1.43 H new ATOM 0 HA ASP A 102 -1.863 -3.085 -16.482 1.00 4.35 H new ATOM 0 HB2 ASP A 102 -2.642 -5.215 -17.966 1.00 23.23 H new ATOM 0 HB3 ASP A 102 -4.160 -4.347 -17.859 1.00 23.23 H new ATOM 1598 N ARG A 103 -4.252 -1.891 -16.334 1.00 2.44 N ATOM 1599 CA ARG A 103 -5.099 -0.825 -15.743 1.00 31.51 C ATOM 1600 C ARG A 103 -6.479 -1.266 -15.199 1.00 13.01 C ATOM 1601 O ARG A 103 -7.038 -0.589 -14.341 1.00 53.51 O ATOM 1602 CB ARG A 103 -5.291 0.269 -16.808 1.00 33.15 C ATOM 1603 CG ARG A 103 -5.865 -0.259 -18.126 1.00 53.21 C ATOM 1604 CD ARG A 103 -5.725 0.724 -19.282 1.00 42.20 C ATOM 1605 NE ARG A 103 -6.600 1.895 -19.164 1.00 53.54 N ATOM 1606 CZ ARG A 103 -7.783 2.031 -19.788 1.00 31.43 C ATOM 1607 NH1 ARG A 103 -8.312 1.027 -20.488 1.00 2.42 N ATOM 1608 NH2 ARG A 103 -8.453 3.172 -19.670 1.00 14.43 N ATOM 0 H ARG A 103 -3.973 -1.681 -17.292 1.00 2.44 H new ATOM 0 HA ARG A 103 -4.566 -0.475 -14.859 1.00 31.51 H new ATOM 0 HB2 ARG A 103 -5.955 1.038 -16.413 1.00 33.15 H new ATOM 0 HB3 ARG A 103 -4.331 0.747 -17.004 1.00 33.15 H new ATOM 0 HG2 ARG A 103 -5.361 -1.190 -18.387 1.00 53.21 H new ATOM 0 HG3 ARG A 103 -6.920 -0.496 -17.986 1.00 53.21 H new ATOM 0 HD2 ARG A 103 -4.689 1.059 -19.340 1.00 42.20 H new ATOM 0 HD3 ARG A 103 -5.946 0.208 -20.216 1.00 42.20 H new ATOM 0 HE ARG A 103 -6.289 2.661 -18.566 1.00 53.54 H new ATOM 0 HH11 ARG A 103 -7.818 0.137 -20.557 1.00 2.42 H new ATOM 0 HH12 ARG A 103 -9.211 1.149 -20.955 1.00 2.42 H new ATOM 0 HH21 ARG A 103 -8.069 3.933 -19.110 1.00 14.43 H new ATOM 0 HH22 ARG A 103 -9.352 3.287 -20.139 1.00 14.43 H new ATOM 1622 N ASP A 104 -7.016 -2.378 -15.691 1.00 41.13 N ATOM 1623 CA ASP A 104 -8.367 -2.811 -15.321 1.00 30.51 C ATOM 1624 C ASP A 104 -8.389 -3.505 -13.965 1.00 24.01 C ATOM 1625 O ASP A 104 -9.162 -3.133 -13.080 1.00 12.15 O ATOM 1626 CB ASP A 104 -8.947 -3.755 -16.380 1.00 73.12 C ATOM 1627 CG ASP A 104 -8.844 -3.202 -17.784 1.00 51.42 C ATOM 1628 OD1 ASP A 104 -9.661 -2.339 -18.152 1.00 10.12 O ATOM 1629 OD2 ASP A 104 -7.939 -3.639 -18.522 1.00 24.31 O ATOM 0 H ASP A 104 -6.540 -2.998 -16.347 1.00 41.13 H new ATOM 0 HA ASP A 104 -8.980 -1.912 -15.259 1.00 30.51 H new ATOM 0 HB2 ASP A 104 -8.425 -4.710 -16.332 1.00 73.12 H new ATOM 0 HB3 ASP A 104 -9.994 -3.952 -16.149 1.00 73.12 H new ATOM 1634 N ARG A 105 -7.527 -4.502 -13.805 1.00 23.03 N ATOM 1635 CA ARG A 105 -7.539 -5.350 -12.618 1.00 61.45 C ATOM 1636 C ARG A 105 -6.638 -4.767 -11.538 1.00 63.05 C ATOM 1637 O ARG A 105 -6.957 -4.815 -10.352 1.00 32.44 O ATOM 1638 CB ARG A 105 -7.106 -6.785 -12.950 1.00 11.55 C ATOM 1639 CG ARG A 105 -8.056 -7.563 -13.860 1.00 21.35 C ATOM 1640 CD ARG A 105 -7.783 -7.317 -15.342 1.00 15.23 C ATOM 1641 NE ARG A 105 -8.695 -8.071 -16.204 1.00 22.55 N ATOM 1642 CZ ARG A 105 -8.908 -7.814 -17.503 1.00 74.11 C ATOM 1643 NH1 ARG A 105 -8.277 -6.819 -18.120 1.00 24.55 N ATOM 1644 NH2 ARG A 105 -9.759 -8.563 -18.188 1.00 41.44 N ATOM 0 H ARG A 105 -6.807 -4.744 -14.486 1.00 23.03 H new ATOM 0 HA ARG A 105 -8.563 -5.384 -12.246 1.00 61.45 H new ATOM 0 HB2 ARG A 105 -6.125 -6.750 -13.423 1.00 11.55 H new ATOM 0 HB3 ARG A 105 -6.991 -7.337 -12.017 1.00 11.55 H new ATOM 0 HG2 ARG A 105 -7.964 -8.628 -13.649 1.00 21.35 H new ATOM 0 HG3 ARG A 105 -9.084 -7.281 -13.632 1.00 21.35 H new ATOM 0 HD2 ARG A 105 -7.880 -6.253 -15.556 1.00 15.23 H new ATOM 0 HD3 ARG A 105 -6.755 -7.596 -15.572 1.00 15.23 H new ATOM 0 HE ARG A 105 -9.206 -8.849 -15.786 1.00 22.55 H new ATOM 0 HH11 ARG A 105 -7.618 -6.236 -17.605 1.00 24.55 H new ATOM 0 HH12 ARG A 105 -8.452 -6.639 -19.109 1.00 24.55 H new ATOM 0 HH21 ARG A 105 -10.248 -9.330 -17.727 1.00 41.44 H new ATOM 0 HH22 ARG A 105 -9.925 -8.372 -19.176 1.00 41.44 H new ATOM 1658 N VAL A 106 -5.502 -4.231 -11.965 1.00 61.44 N ATOM 1659 CA VAL A 106 -4.608 -3.499 -11.084 1.00 74.32 C ATOM 1660 C VAL A 106 -4.567 -2.056 -11.574 1.00 70.33 C ATOM 1661 O VAL A 106 -3.905 -1.756 -12.567 1.00 22.14 O ATOM 1662 CB VAL A 106 -3.169 -4.084 -11.068 1.00 44.02 C ATOM 1663 CG1 VAL A 106 -2.355 -3.473 -9.945 1.00 43.42 C ATOM 1664 CG2 VAL A 106 -3.162 -5.601 -10.948 1.00 51.22 C ATOM 0 H VAL A 106 -5.177 -4.292 -12.930 1.00 61.44 H new ATOM 0 HA VAL A 106 -4.984 -3.573 -10.064 1.00 74.32 H new ATOM 0 HB VAL A 106 -2.714 -3.827 -12.025 1.00 44.02 H new ATOM 0 HG11 VAL A 106 -1.351 -3.896 -9.952 1.00 43.42 H new ATOM 0 HG12 VAL A 106 -2.295 -2.394 -10.085 1.00 43.42 H new ATOM 0 HG13 VAL A 106 -2.833 -3.689 -8.990 1.00 43.42 H new ATOM 0 HG21 VAL A 106 -2.133 -5.961 -10.941 1.00 51.22 H new ATOM 0 HG22 VAL A 106 -3.655 -5.895 -10.022 1.00 51.22 H new ATOM 0 HG23 VAL A 106 -3.693 -6.035 -11.795 1.00 51.22 H new ATOM 1674 N HIS A 107 -5.292 -1.179 -10.888 1.00 13.43 N ATOM 1675 CA HIS A 107 -5.558 0.171 -11.398 1.00 20.13 C ATOM 1676 C HIS A 107 -4.308 1.041 -11.423 1.00 31.53 C ATOM 1677 O HIS A 107 -3.361 0.832 -10.662 1.00 15.24 O ATOM 1678 CB HIS A 107 -6.657 0.871 -10.583 1.00 33.31 C ATOM 1679 CG HIS A 107 -7.984 0.178 -10.614 1.00 74.22 C ATOM 1680 ND1 HIS A 107 -8.477 -0.527 -9.543 1.00 71.01 N ATOM 1681 CD2 HIS A 107 -8.921 0.087 -11.585 1.00 52.35 C ATOM 1682 CE1 HIS A 107 -9.656 -1.026 -9.850 1.00 64.32 C ATOM 1683 NE2 HIS A 107 -9.952 -0.668 -11.085 1.00 4.04 N ATOM 0 H HIS A 107 -5.708 -1.374 -9.977 1.00 13.43 H new ATOM 0 HA HIS A 107 -5.900 0.044 -12.425 1.00 20.13 H new ATOM 0 HB2 HIS A 107 -6.328 0.954 -9.547 1.00 33.31 H new ATOM 0 HB3 HIS A 107 -6.782 1.886 -10.960 1.00 33.31 H new ATOM 0 HD1 HIS A 107 -8.003 -0.646 -8.648 1.00 71.01 H new ATOM 0 HD2 HIS A 107 -8.868 0.527 -12.570 1.00 52.35 H new ATOM 0 HE1 HIS A 107 -10.276 -1.627 -9.201 1.00 64.32 H new ATOM 1692 N ASN A 108 -4.336 2.030 -12.311 1.00 64.25 N ATOM 1693 CA ASN A 108 -3.229 2.967 -12.504 1.00 42.13 C ATOM 1694 C ASN A 108 -3.157 3.949 -11.317 1.00 72.33 C ATOM 1695 O ASN A 108 -2.086 4.456 -10.971 1.00 22.02 O ATOM 1696 CB ASN A 108 -3.442 3.698 -13.841 1.00 60.21 C ATOM 1697 CG ASN A 108 -2.169 4.241 -14.483 1.00 24.31 C ATOM 1698 OD1 ASN A 108 -1.230 4.644 -13.815 1.00 14.35 O ATOM 1699 ND2 ASN A 108 -2.129 4.234 -15.804 1.00 74.24 N ATOM 0 H ASN A 108 -5.133 2.207 -12.923 1.00 64.25 H new ATOM 0 HA ASN A 108 -2.277 2.438 -12.541 1.00 42.13 H new ATOM 0 HB2 ASN A 108 -3.922 3.014 -14.541 1.00 60.21 H new ATOM 0 HB3 ASN A 108 -4.133 4.526 -13.680 1.00 60.21 H new ATOM 0 HD21 ASN A 108 -1.299 4.571 -16.291 1.00 74.24 H new ATOM 0 HD22 ASN A 108 -2.929 3.891 -16.337 1.00 74.24 H new ATOM 1706 N GLY A 109 -4.310 4.169 -10.677 1.00 14.21 N ATOM 1707 CA GLY A 109 -4.368 4.937 -9.447 1.00 12.13 C ATOM 1708 C GLY A 109 -3.925 4.135 -8.227 1.00 22.44 C ATOM 1709 O GLY A 109 -3.401 4.713 -7.272 1.00 43.23 O ATOM 0 H GLY A 109 -5.214 3.821 -10.998 1.00 14.21 H new ATOM 0 HA2 GLY A 109 -3.736 5.819 -9.545 1.00 12.13 H new ATOM 0 HA3 GLY A 109 -5.387 5.291 -9.293 1.00 12.13 H new ATOM 1713 N ASP A 110 -4.099 2.799 -8.280 1.00 13.15 N ATOM 1714 CA ASP A 110 -3.683 1.894 -7.189 1.00 24.32 C ATOM 1715 C ASP A 110 -2.170 1.822 -7.052 1.00 13.01 C ATOM 1716 O ASP A 110 -1.652 1.564 -5.972 1.00 12.55 O ATOM 1717 CB ASP A 110 -4.203 0.462 -7.385 1.00 23.02 C ATOM 1718 CG ASP A 110 -5.669 0.283 -7.052 1.00 45.24 C ATOM 1719 OD1 ASP A 110 -6.195 1.028 -6.202 1.00 51.10 O ATOM 1720 OD2 ASP A 110 -6.296 -0.621 -7.634 1.00 51.44 O ATOM 0 H ASP A 110 -4.528 2.320 -9.072 1.00 13.15 H new ATOM 0 HA ASP A 110 -4.119 2.321 -6.286 1.00 24.32 H new ATOM 0 HB2 ASP A 110 -4.039 0.166 -8.421 1.00 23.02 H new ATOM 0 HB3 ASP A 110 -3.616 -0.214 -6.764 1.00 23.02 H new ATOM 1725 N ILE A 111 -1.469 2.006 -8.159 1.00 22.21 N ATOM 1726 CA ILE A 111 -0.013 2.021 -8.140 1.00 54.40 C ATOM 1727 C ILE A 111 0.520 3.386 -7.660 1.00 51.23 C ATOM 1728 O ILE A 111 1.540 3.435 -6.995 1.00 54.44 O ATOM 1729 CB ILE A 111 0.599 1.627 -9.521 1.00 32.22 C ATOM 1730 CG1 ILE A 111 -0.087 0.374 -10.092 1.00 43.32 C ATOM 1731 CG2 ILE A 111 2.106 1.374 -9.409 1.00 31.44 C ATOM 1732 CD1 ILE A 111 -0.016 -0.852 -9.197 1.00 34.24 C ATOM 0 H ILE A 111 -1.882 2.147 -9.081 1.00 22.21 H new ATOM 0 HA ILE A 111 0.306 1.262 -7.425 1.00 54.40 H new ATOM 0 HB ILE A 111 0.431 2.465 -10.197 1.00 32.22 H new ATOM 0 HG12 ILE A 111 -1.134 0.606 -10.285 1.00 43.32 H new ATOM 0 HG13 ILE A 111 0.368 0.133 -11.052 1.00 43.32 H new ATOM 0 HG21 ILE A 111 2.503 1.102 -10.387 1.00 31.44 H new ATOM 0 HG22 ILE A 111 2.601 2.278 -9.055 1.00 31.44 H new ATOM 0 HG23 ILE A 111 2.287 0.562 -8.705 1.00 31.44 H new ATOM 0 HD11 ILE A 111 -0.525 -1.686 -9.681 1.00 34.24 H new ATOM 0 HD12 ILE A 111 1.027 -1.116 -9.023 1.00 34.24 H new ATOM 0 HD13 ILE A 111 -0.499 -0.635 -8.244 1.00 34.24 H new ATOM 1744 N LYS A 112 -0.196 4.488 -7.944 1.00 63.45 N ATOM 1745 CA LYS A 112 0.274 5.829 -7.536 1.00 61.04 C ATOM 1746 C LYS A 112 0.094 6.075 -6.043 1.00 30.31 C ATOM 1747 O LYS A 112 0.919 6.752 -5.423 1.00 34.31 O ATOM 1748 CB LYS A 112 -0.409 6.953 -8.311 1.00 50.31 C ATOM 1749 CG LYS A 112 -0.026 6.994 -9.769 1.00 54.03 C ATOM 1750 CD LYS A 112 -0.398 8.310 -10.409 1.00 21.53 C ATOM 1751 CE LYS A 112 -0.325 8.219 -11.921 1.00 35.01 C ATOM 1752 NZ LYS A 112 -1.347 7.286 -12.464 1.00 71.44 N ATOM 0 H LYS A 112 -1.085 4.482 -8.444 1.00 63.45 H new ATOM 0 HA LYS A 112 1.338 5.840 -7.772 1.00 61.04 H new ATOM 0 HB2 LYS A 112 -1.490 6.836 -8.230 1.00 50.31 H new ATOM 0 HB3 LYS A 112 -0.157 7.908 -7.850 1.00 50.31 H new ATOM 0 HG2 LYS A 112 1.047 6.832 -9.868 1.00 54.03 H new ATOM 0 HG3 LYS A 112 -0.521 6.180 -10.298 1.00 54.03 H new ATOM 0 HD2 LYS A 112 -1.406 8.593 -10.106 1.00 21.53 H new ATOM 0 HD3 LYS A 112 0.273 9.093 -10.055 1.00 21.53 H new ATOM 0 HE2 LYS A 112 -0.470 9.209 -12.353 1.00 35.01 H new ATOM 0 HE3 LYS A 112 0.669 7.884 -12.218 1.00 35.01 H new ATOM 0 HZ1 LYS A 112 -0.875 6.456 -12.877 1.00 71.44 H new ATOM 0 HZ2 LYS A 112 -1.979 6.979 -11.697 1.00 71.44 H new ATOM 0 HZ3 LYS A 112 -1.903 7.769 -13.198 1.00 71.44 H new ATOM 1766 N LYS A 113 -0.979 5.518 -5.468 1.00 35.13 N ATOM 1767 CA LYS A 113 -1.189 5.562 -4.017 1.00 61.22 C ATOM 1768 C LYS A 113 -0.135 4.691 -3.315 1.00 44.41 C ATOM 1769 O LYS A 113 0.307 5.008 -2.223 1.00 53.03 O ATOM 1770 CB LYS A 113 -2.620 5.106 -3.646 1.00 22.41 C ATOM 1771 CG LYS A 113 -2.917 3.650 -3.992 1.00 54.21 C ATOM 1772 CD LYS A 113 -4.336 3.215 -3.646 1.00 70.35 C ATOM 1773 CE LYS A 113 -5.380 3.909 -4.505 1.00 73.23 C ATOM 1774 NZ LYS A 113 -6.722 3.298 -4.338 1.00 20.31 N ATOM 0 H LYS A 113 -1.713 5.033 -5.984 1.00 35.13 H new ATOM 0 HA LYS A 113 -1.078 6.592 -3.679 1.00 61.22 H new ATOM 0 HB2 LYS A 113 -2.771 5.253 -2.577 1.00 22.41 H new ATOM 0 HB3 LYS A 113 -3.338 5.745 -4.160 1.00 22.41 H new ATOM 0 HG2 LYS A 113 -2.750 3.498 -5.058 1.00 54.21 H new ATOM 0 HG3 LYS A 113 -2.211 3.009 -3.464 1.00 54.21 H new ATOM 0 HD2 LYS A 113 -4.424 2.136 -3.773 1.00 70.35 H new ATOM 0 HD3 LYS A 113 -4.533 3.429 -2.596 1.00 70.35 H new ATOM 0 HE2 LYS A 113 -5.426 4.965 -4.240 1.00 73.23 H new ATOM 0 HE3 LYS A 113 -5.083 3.856 -5.553 1.00 73.23 H new ATOM 0 HZ1 LYS A 113 -7.452 3.977 -4.634 1.00 20.31 H new ATOM 0 HZ2 LYS A 113 -6.789 2.441 -4.924 1.00 20.31 H new ATOM 0 HZ3 LYS A 113 -6.867 3.047 -3.339 1.00 20.31 H new ATOM 1788 N LEU A 114 0.297 3.633 -4.007 1.00 61.42 N ATOM 1789 CA LEU A 114 1.297 2.698 -3.514 1.00 55.51 C ATOM 1790 C LEU A 114 2.684 3.362 -3.457 1.00 0.30 C ATOM 1791 O LEU A 114 3.443 3.111 -2.529 1.00 4.43 O ATOM 1792 CB LEU A 114 1.241 1.434 -4.430 1.00 35.54 C ATOM 1793 CG LEU A 114 2.422 0.436 -4.452 1.00 42.54 C ATOM 1794 CD1 LEU A 114 1.946 -0.922 -4.924 1.00 50.10 C ATOM 1795 CD2 LEU A 114 3.527 0.885 -5.384 1.00 74.31 C ATOM 0 H LEU A 114 -0.047 3.404 -4.939 1.00 61.42 H new ATOM 0 HA LEU A 114 1.091 2.392 -2.488 1.00 55.51 H new ATOM 0 HB2 LEU A 114 0.349 0.873 -4.152 1.00 35.54 H new ATOM 0 HB3 LEU A 114 1.093 1.782 -5.452 1.00 35.54 H new ATOM 0 HG LEU A 114 2.810 0.386 -3.435 1.00 42.54 H new ATOM 0 HD11 LEU A 114 2.785 -1.618 -4.936 1.00 50.10 H new ATOM 0 HD12 LEU A 114 1.176 -1.293 -4.247 1.00 50.10 H new ATOM 0 HD13 LEU A 114 1.533 -0.834 -5.929 1.00 50.10 H new ATOM 0 HD21 LEU A 114 4.336 0.154 -5.368 1.00 74.31 H new ATOM 0 HD22 LEU A 114 3.136 0.971 -6.398 1.00 74.31 H new ATOM 0 HD23 LEU A 114 3.906 1.854 -5.058 1.00 74.31 H new ATOM 1807 N ILE A 115 3.000 4.211 -4.456 1.00 65.03 N ATOM 1808 CA ILE A 115 4.272 4.961 -4.476 1.00 41.44 C ATOM 1809 C ILE A 115 4.250 6.073 -3.409 1.00 13.12 C ATOM 1810 O ILE A 115 5.287 6.428 -2.839 1.00 62.05 O ATOM 1811 CB ILE A 115 4.591 5.604 -5.862 1.00 35.44 C ATOM 1812 CG1 ILE A 115 4.402 4.624 -7.032 1.00 65.11 C ATOM 1813 CG2 ILE A 115 6.019 6.135 -5.889 1.00 22.14 C ATOM 1814 CD1 ILE A 115 5.367 3.449 -7.075 1.00 34.15 C ATOM 0 H ILE A 115 2.394 4.394 -5.256 1.00 65.03 H new ATOM 0 HA ILE A 115 5.054 4.232 -4.264 1.00 41.44 H new ATOM 0 HB ILE A 115 3.880 6.421 -5.990 1.00 35.44 H new ATOM 0 HG12 ILE A 115 3.385 4.233 -6.993 1.00 65.11 H new ATOM 0 HG13 ILE A 115 4.494 5.180 -7.965 1.00 65.11 H new ATOM 0 HG21 ILE A 115 6.223 6.580 -6.863 1.00 22.14 H new ATOM 0 HG22 ILE A 115 6.141 6.890 -5.112 1.00 22.14 H new ATOM 0 HG23 ILE A 115 6.715 5.316 -5.711 1.00 22.14 H new ATOM 0 HD11 ILE A 115 5.142 2.825 -7.940 1.00 34.15 H new ATOM 0 HD12 ILE A 115 6.389 3.820 -7.152 1.00 34.15 H new ATOM 0 HD13 ILE A 115 5.263 2.859 -6.165 1.00 34.15 H new ATOM 1826 N SER A 116 3.055 6.614 -3.150 1.00 2.23 N ATOM 1827 CA SER A 116 2.854 7.612 -2.102 1.00 3.24 C ATOM 1828 C SER A 116 3.159 7.024 -0.718 1.00 4.31 C ATOM 1829 O SER A 116 3.777 7.686 0.118 1.00 63.53 O ATOM 1830 CB SER A 116 1.410 8.134 -2.146 1.00 62.20 C ATOM 1831 OG SER A 116 1.184 9.140 -1.176 1.00 43.42 O ATOM 0 H SER A 116 2.205 6.372 -3.660 1.00 2.23 H new ATOM 0 HA SER A 116 3.541 8.439 -2.280 1.00 3.24 H new ATOM 0 HB2 SER A 116 1.198 8.532 -3.138 1.00 62.20 H new ATOM 0 HB3 SER A 116 0.720 7.307 -1.980 1.00 62.20 H new ATOM 0 HG SER A 116 0.256 9.449 -1.235 1.00 43.42 H new ATOM 1837 N TRP A 117 2.748 5.771 -0.501 1.00 32.24 N ATOM 1838 CA TRP A 117 2.958 5.097 0.779 1.00 21.03 C ATOM 1839 C TRP A 117 4.325 4.432 0.854 1.00 2.43 C ATOM 1840 O TRP A 117 4.776 4.105 1.935 1.00 62.35 O ATOM 1841 CB TRP A 117 1.862 4.055 1.038 1.00 51.34 C ATOM 1842 CG TRP A 117 0.483 4.640 1.034 1.00 1.22 C ATOM 1843 CD1 TRP A 117 0.125 5.876 1.478 1.00 20.34 C ATOM 1844 CD2 TRP A 117 -0.726 4.018 0.573 1.00 75.41 C ATOM 1845 NE1 TRP A 117 -1.214 6.070 1.293 1.00 14.03 N ATOM 1846 CE2 TRP A 117 -1.762 4.949 0.751 1.00 5.35 C ATOM 1847 CE3 TRP A 117 -1.032 2.778 0.016 1.00 64.23 C ATOM 1848 CZ2 TRP A 117 -3.079 4.684 0.395 1.00 74.31 C ATOM 1849 CZ3 TRP A 117 -2.342 2.511 -0.329 1.00 31.41 C ATOM 1850 CH2 TRP A 117 -3.350 3.460 -0.139 1.00 44.42 C ATOM 0 H TRP A 117 2.267 5.204 -1.199 1.00 32.24 H new ATOM 0 HA TRP A 117 2.911 5.866 1.551 1.00 21.03 H new ATOM 0 HB2 TRP A 117 1.922 3.276 0.278 1.00 51.34 H new ATOM 0 HB3 TRP A 117 2.044 3.576 2.000 1.00 51.34 H new ATOM 0 HD1 TRP A 117 0.801 6.597 1.913 1.00 20.34 H new ATOM 0 HE1 TRP A 117 -1.724 6.922 1.525 1.00 14.03 H new ATOM 0 HE3 TRP A 117 -0.260 2.040 -0.143 1.00 64.23 H new ATOM 0 HZ2 TRP A 117 -3.857 5.419 0.536 1.00 74.31 H new ATOM 0 HZ3 TRP A 117 -2.592 1.550 -0.754 1.00 31.41 H new ATOM 0 HH2 TRP A 117 -4.364 3.218 -0.421 1.00 44.42 H new ATOM 1861 N TYR A 118 4.974 4.272 -0.304 1.00 13.41 N ATOM 1862 CA TYR A 118 6.275 3.596 -0.452 1.00 64.11 C ATOM 1863 C TYR A 118 7.375 4.205 0.407 1.00 11.32 C ATOM 1864 O TYR A 118 8.140 3.489 1.051 1.00 31.34 O ATOM 1865 CB TYR A 118 6.715 3.692 -1.899 1.00 55.23 C ATOM 1866 CG TYR A 118 6.859 2.390 -2.631 1.00 14.52 C ATOM 1867 CD1 TYR A 118 6.585 1.169 -2.030 1.00 51.15 C ATOM 1868 CD2 TYR A 118 7.286 2.395 -3.944 1.00 3.24 C ATOM 1869 CE1 TYR A 118 6.737 -0.005 -2.724 1.00 54.41 C ATOM 1870 CE2 TYR A 118 7.440 1.234 -4.645 1.00 21.24 C ATOM 1871 CZ TYR A 118 7.166 0.035 -4.030 1.00 52.41 C ATOM 1872 OH TYR A 118 7.320 -1.128 -4.720 1.00 0.01 O ATOM 0 H TYR A 118 4.603 4.617 -1.189 1.00 13.41 H new ATOM 0 HA TYR A 118 6.130 2.566 -0.128 1.00 64.11 H new ATOM 0 HB2 TYR A 118 5.996 4.310 -2.436 1.00 55.23 H new ATOM 0 HB3 TYR A 118 7.672 4.213 -1.933 1.00 55.23 H new ATOM 0 HD1 TYR A 118 6.248 1.143 -1.004 1.00 51.15 H new ATOM 0 HD2 TYR A 118 7.503 3.337 -4.426 1.00 3.24 H new ATOM 0 HE1 TYR A 118 6.522 -0.951 -2.249 1.00 54.41 H new ATOM 0 HE2 TYR A 118 7.774 1.257 -5.672 1.00 21.24 H new ATOM 0 HH TYR A 118 6.967 -1.872 -4.189 1.00 0.01 H new ATOM 1882 N ASN A 119 7.436 5.534 0.400 1.00 53.12 N ATOM 1883 CA ASN A 119 8.448 6.284 1.159 1.00 40.02 C ATOM 1884 C ASN A 119 8.195 6.177 2.666 1.00 63.10 C ATOM 1885 O ASN A 119 9.122 6.211 3.468 1.00 74.24 O ATOM 1886 CB ASN A 119 8.449 7.760 0.744 1.00 51.41 C ATOM 1887 CG ASN A 119 8.631 7.956 -0.751 1.00 21.11 C ATOM 1888 OD1 ASN A 119 7.661 7.984 -1.499 1.00 30.33 O ATOM 1889 ND2 ASN A 119 9.869 8.109 -1.198 1.00 32.21 N ATOM 0 H ASN A 119 6.792 6.124 -0.127 1.00 53.12 H new ATOM 0 HA ASN A 119 9.421 5.847 0.934 1.00 40.02 H new ATOM 0 HB2 ASN A 119 7.510 8.219 1.053 1.00 51.41 H new ATOM 0 HB3 ASN A 119 9.248 8.280 1.273 1.00 51.41 H new ATOM 0 HD21 ASN A 119 10.037 8.256 -2.193 1.00 32.21 H new ATOM 0 HD22 ASN A 119 10.654 8.080 -0.547 1.00 32.21 H new ATOM 1896 N ILE A 120 6.925 6.014 3.012 1.00 4.40 N ATOM 1897 CA ILE A 120 6.461 5.884 4.391 1.00 32.30 C ATOM 1898 C ILE A 120 6.752 4.472 4.948 1.00 55.34 C ATOM 1899 O ILE A 120 7.125 4.323 6.119 1.00 5.40 O ATOM 1900 CB ILE A 120 4.935 6.171 4.438 1.00 73.42 C ATOM 1901 CG1 ILE A 120 4.635 7.556 3.844 1.00 21.43 C ATOM 1902 CG2 ILE A 120 4.392 6.067 5.857 1.00 42.33 C ATOM 1903 CD1 ILE A 120 3.173 7.793 3.532 1.00 60.24 C ATOM 0 H ILE A 120 6.170 5.967 2.328 1.00 4.40 H new ATOM 0 HA ILE A 120 6.996 6.602 5.012 1.00 32.30 H new ATOM 0 HB ILE A 120 4.432 5.414 3.837 1.00 73.42 H new ATOM 0 HG12 ILE A 120 4.974 8.320 4.543 1.00 21.43 H new ATOM 0 HG13 ILE A 120 5.215 7.680 2.930 1.00 21.43 H new ATOM 0 HG21 ILE A 120 3.322 6.274 5.853 1.00 42.33 H new ATOM 0 HG22 ILE A 120 4.566 5.062 6.240 1.00 42.33 H new ATOM 0 HG23 ILE A 120 4.899 6.791 6.495 1.00 42.33 H new ATOM 0 HD11 ILE A 120 3.047 8.793 3.117 1.00 60.24 H new ATOM 0 HD12 ILE A 120 2.831 7.054 2.808 1.00 60.24 H new ATOM 0 HD13 ILE A 120 2.587 7.703 4.446 1.00 60.24 H new ATOM 1915 N LEU A 121 6.588 3.456 4.086 1.00 72.44 N ATOM 1916 CA LEU A 121 6.755 2.043 4.452 1.00 64.53 C ATOM 1917 C LEU A 121 8.174 1.743 4.905 1.00 21.04 C ATOM 1918 O LEU A 121 8.375 1.299 6.021 1.00 71.41 O ATOM 1919 CB LEU A 121 6.419 1.138 3.257 1.00 73.14 C ATOM 1920 CG LEU A 121 4.975 1.177 2.765 1.00 62.31 C ATOM 1921 CD1 LEU A 121 4.885 0.566 1.385 1.00 32.11 C ATOM 1922 CD2 LEU A 121 4.051 0.443 3.722 1.00 12.23 C ATOM 0 H LEU A 121 6.334 3.595 3.108 1.00 72.44 H new ATOM 0 HA LEU A 121 6.073 1.844 5.279 1.00 64.53 H new ATOM 0 HB2 LEU A 121 7.071 1.411 2.427 1.00 73.14 H new ATOM 0 HB3 LEU A 121 6.661 0.110 3.527 1.00 73.14 H new ATOM 0 HG LEU A 121 4.657 2.219 2.720 1.00 62.31 H new ATOM 0 HD11 LEU A 121 3.852 0.597 1.040 1.00 32.11 H new ATOM 0 HD12 LEU A 121 5.515 1.129 0.696 1.00 32.11 H new ATOM 0 HD13 LEU A 121 5.224 -0.469 1.423 1.00 32.11 H new ATOM 0 HD21 LEU A 121 3.029 0.487 3.346 1.00 12.23 H new ATOM 0 HD22 LEU A 121 4.363 -0.598 3.803 1.00 12.23 H new ATOM 0 HD23 LEU A 121 4.097 0.913 4.704 1.00 12.23 H new ATOM 1934 N VAL A 122 9.139 2.064 4.038 1.00 70.13 N ATOM 1935 CA VAL A 122 10.569 1.726 4.224 1.00 2.53 C ATOM 1936 C VAL A 122 11.201 2.423 5.462 1.00 3.43 C ATOM 1937 O VAL A 122 12.221 1.961 5.985 1.00 75.41 O ATOM 1938 CB VAL A 122 11.357 2.069 2.918 1.00 34.11 C ATOM 1939 CG1 VAL A 122 12.802 1.575 2.943 1.00 13.54 C ATOM 1940 CG2 VAL A 122 10.649 1.487 1.704 1.00 12.32 C ATOM 0 H VAL A 122 8.955 2.573 3.173 1.00 70.13 H new ATOM 0 HA VAL A 122 10.635 0.656 4.421 1.00 2.53 H new ATOM 0 HB VAL A 122 11.384 3.157 2.855 1.00 34.11 H new ATOM 0 HG11 VAL A 122 13.295 1.844 2.009 1.00 13.54 H new ATOM 0 HG12 VAL A 122 13.330 2.036 3.778 1.00 13.54 H new ATOM 0 HG13 VAL A 122 12.814 0.491 3.061 1.00 13.54 H new ATOM 0 HG21 VAL A 122 11.210 1.734 0.803 1.00 12.32 H new ATOM 0 HG22 VAL A 122 10.584 0.404 1.805 1.00 12.32 H new ATOM 0 HG23 VAL A 122 9.645 1.905 1.633 1.00 12.32 H new ATOM 1950 N ASN A 123 10.556 3.498 5.945 1.00 50.33 N ATOM 1951 CA ASN A 123 10.970 4.210 7.173 1.00 53.54 C ATOM 1952 C ASN A 123 10.995 3.295 8.402 1.00 51.12 C ATOM 1953 O ASN A 123 11.929 3.342 9.200 1.00 74.33 O ATOM 1954 CB ASN A 123 10.023 5.390 7.441 1.00 10.33 C ATOM 1955 CG ASN A 123 10.390 6.660 6.688 1.00 44.12 C ATOM 1956 OD1 ASN A 123 9.995 7.754 7.085 1.00 73.01 O ATOM 1957 ND2 ASN A 123 11.173 6.541 5.625 1.00 55.42 N ATOM 0 H ASN A 123 9.732 3.901 5.498 1.00 50.33 H new ATOM 0 HA ASN A 123 11.985 4.569 7.005 1.00 53.54 H new ATOM 0 HB2 ASN A 123 9.009 5.098 7.168 1.00 10.33 H new ATOM 0 HB3 ASN A 123 10.017 5.602 8.510 1.00 10.33 H new ATOM 0 HD21 ASN A 123 11.465 7.372 5.111 1.00 55.42 H new ATOM 0 HD22 ASN A 123 11.484 5.618 5.321 1.00 55.42 H new ATOM 1964 N ASN A 124 9.976 2.453 8.529 1.00 32.43 N ATOM 1965 CA ASN A 124 9.883 1.503 9.640 1.00 0.24 C ATOM 1966 C ASN A 124 9.931 0.064 9.131 1.00 14.33 C ATOM 1967 O ASN A 124 9.784 -0.886 9.902 1.00 45.52 O ATOM 1968 CB ASN A 124 8.594 1.738 10.443 1.00 50.15 C ATOM 1969 CG ASN A 124 8.589 3.063 11.186 1.00 44.11 C ATOM 1970 OD1 ASN A 124 9.035 3.147 12.327 1.00 53.23 O ATOM 1971 ND2 ASN A 124 8.087 4.103 10.541 1.00 11.13 N ATOM 0 H ASN A 124 9.196 2.406 7.873 1.00 32.43 H new ATOM 0 HA ASN A 124 10.739 1.665 10.295 1.00 0.24 H new ATOM 0 HB2 ASN A 124 7.740 1.704 9.766 1.00 50.15 H new ATOM 0 HB3 ASN A 124 8.466 0.926 11.159 1.00 50.15 H new ATOM 0 HD21 ASN A 124 8.060 5.018 10.991 1.00 11.13 H new ATOM 0 HD22 ASN A 124 7.727 3.990 9.594 1.00 11.13 H new ATOM 1978 N GLY A 125 10.122 -0.085 7.819 1.00 64.30 N ATOM 1979 CA GLY A 125 10.086 -1.388 7.170 1.00 34.11 C ATOM 1980 C GLY A 125 8.674 -1.815 6.801 1.00 75.51 C ATOM 1981 O GLY A 125 8.357 -1.987 5.624 1.00 23.22 O ATOM 0 H GLY A 125 10.305 0.692 7.183 1.00 64.30 H new ATOM 0 HA2 GLY A 125 10.700 -1.359 6.270 1.00 34.11 H new ATOM 0 HA3 GLY A 125 10.526 -2.133 7.833 1.00 34.11 H new ATOM 1985 N ILE A 126 7.829 -1.885 7.834 1.00 51.05 N ATOM 1986 CA ILE A 126 6.464 -2.426 7.786 1.00 72.50 C ATOM 1987 C ILE A 126 6.519 -3.915 7.432 1.00 22.45 C ATOM 1988 O ILE A 126 6.450 -4.318 6.265 1.00 3.51 O ATOM 1989 CB ILE A 126 5.483 -1.635 6.856 1.00 14.41 C ATOM 1990 CG1 ILE A 126 5.519 -0.122 7.158 1.00 34.22 C ATOM 1991 CG2 ILE A 126 4.052 -2.167 7.002 1.00 74.33 C ATOM 1992 CD1 ILE A 126 5.187 0.267 8.584 1.00 23.24 C ATOM 0 H ILE A 126 8.086 -1.554 8.764 1.00 51.05 H new ATOM 0 HA ILE A 126 6.038 -2.302 8.782 1.00 72.50 H new ATOM 0 HB ILE A 126 5.812 -1.784 5.828 1.00 14.41 H new ATOM 0 HG12 ILE A 126 6.514 0.255 6.919 1.00 34.22 H new ATOM 0 HG13 ILE A 126 4.819 0.381 6.490 1.00 34.22 H new ATOM 0 HG21 ILE A 126 3.386 -1.604 6.348 1.00 74.33 H new ATOM 0 HG22 ILE A 126 4.026 -3.221 6.726 1.00 74.33 H new ATOM 0 HG23 ILE A 126 3.726 -2.054 8.036 1.00 74.33 H new ATOM 0 HD11 ILE A 126 5.241 1.351 8.688 1.00 23.24 H new ATOM 0 HD12 ILE A 126 4.180 -0.071 8.828 1.00 23.24 H new ATOM 0 HD13 ILE A 126 5.901 -0.199 9.264 1.00 23.24 H new ATOM 2004 N THR A 127 6.621 -4.724 8.485 1.00 0.32 N ATOM 2005 CA THR A 127 6.933 -6.153 8.386 1.00 4.33 C ATOM 2006 C THR A 127 5.670 -7.016 8.120 1.00 43.54 C ATOM 2007 O THR A 127 5.626 -8.216 8.402 1.00 24.13 O ATOM 2008 CB THR A 127 7.694 -6.599 9.675 1.00 3.01 C ATOM 2009 OG1 THR A 127 8.190 -7.938 9.550 1.00 52.11 O ATOM 2010 CG2 THR A 127 6.822 -6.489 10.933 1.00 12.04 C ATOM 0 H THR A 127 6.488 -4.404 9.444 1.00 0.32 H new ATOM 0 HA THR A 127 7.578 -6.313 7.522 1.00 4.33 H new ATOM 0 HB THR A 127 8.535 -5.915 9.785 1.00 3.01 H new ATOM 0 HG1 THR A 127 7.482 -8.518 9.199 1.00 52.11 H new ATOM 0 HG21 THR A 127 7.396 -6.810 11.802 1.00 12.04 H new ATOM 0 HG22 THR A 127 6.507 -5.454 11.068 1.00 12.04 H new ATOM 0 HG23 THR A 127 5.943 -7.124 10.823 1.00 12.04 H new ATOM 2018 N GLU A 128 4.664 -6.396 7.507 1.00 3.01 N ATOM 2019 CA GLU A 128 3.449 -7.084 7.083 1.00 31.25 C ATOM 2020 C GLU A 128 3.641 -7.709 5.702 1.00 75.01 C ATOM 2021 O GLU A 128 2.816 -8.501 5.248 1.00 11.32 O ATOM 2022 CB GLU A 128 2.276 -6.100 7.060 1.00 52.50 C ATOM 2023 CG GLU A 128 1.959 -5.549 8.433 1.00 34.25 C ATOM 2024 CD GLU A 128 0.899 -4.472 8.440 1.00 0.20 C ATOM 2025 OE1 GLU A 128 -0.258 -4.740 8.056 1.00 43.33 O ATOM 2026 OE2 GLU A 128 1.219 -3.357 8.865 1.00 63.21 O ATOM 0 H GLU A 128 4.670 -5.399 7.290 1.00 3.01 H new ATOM 0 HA GLU A 128 3.232 -7.881 7.794 1.00 31.25 H new ATOM 0 HB2 GLU A 128 2.510 -5.276 6.386 1.00 52.50 H new ATOM 0 HB3 GLU A 128 1.394 -6.600 6.659 1.00 52.50 H new ATOM 0 HG2 GLU A 128 1.633 -6.368 9.074 1.00 34.25 H new ATOM 0 HG3 GLU A 128 2.873 -5.146 8.870 1.00 34.25 H new ATOM 2033 N PHE A 129 4.747 -7.351 5.047 1.00 0.24 N ATOM 2034 CA PHE A 129 5.033 -7.822 3.702 1.00 72.04 C ATOM 2035 C PHE A 129 6.527 -8.008 3.456 1.00 75.05 C ATOM 2036 O PHE A 129 6.927 -8.999 2.845 1.00 73.10 O ATOM 2037 CB PHE A 129 4.408 -6.899 2.650 1.00 41.22 C ATOM 2038 CG PHE A 129 4.748 -5.430 2.738 1.00 23.31 C ATOM 2039 CD1 PHE A 129 4.104 -4.600 3.638 1.00 51.42 C ATOM 2040 CD2 PHE A 129 5.698 -4.879 1.900 1.00 42.11 C ATOM 2041 CE1 PHE A 129 4.411 -3.267 3.702 1.00 51.23 C ATOM 2042 CE2 PHE A 129 6.009 -3.543 1.963 1.00 33.22 C ATOM 2043 CZ PHE A 129 5.366 -2.738 2.868 1.00 33.33 C ATOM 0 H PHE A 129 5.460 -6.732 5.434 1.00 0.24 H new ATOM 0 HA PHE A 129 4.574 -8.806 3.607 1.00 72.04 H new ATOM 0 HB2 PHE A 129 4.706 -7.257 1.665 1.00 41.22 H new ATOM 0 HB3 PHE A 129 3.324 -7.000 2.711 1.00 41.22 H new ATOM 0 HD1 PHE A 129 3.351 -5.007 4.297 1.00 51.42 H new ATOM 0 HD2 PHE A 129 6.204 -5.509 1.184 1.00 42.11 H new ATOM 0 HE1 PHE A 129 3.901 -2.630 4.410 1.00 51.23 H new ATOM 0 HE2 PHE A 129 6.756 -3.128 1.303 1.00 33.22 H new ATOM 0 HZ PHE A 129 5.610 -1.688 2.925 1.00 33.33 H new ATOM 2053 N VAL A 130 7.352 -7.076 3.937 1.00 3.53 N ATOM 2054 CA VAL A 130 8.800 -7.202 3.798 1.00 2.42 C ATOM 2055 C VAL A 130 9.368 -8.075 4.916 1.00 30.42 C ATOM 2056 O VAL A 130 8.719 -8.292 5.946 1.00 33.14 O ATOM 2057 CB VAL A 130 9.547 -5.833 3.810 1.00 11.41 C ATOM 2058 CG1 VAL A 130 9.138 -4.945 2.661 1.00 11.01 C ATOM 2059 CG2 VAL A 130 9.314 -5.090 5.090 1.00 60.01 C ATOM 0 H VAL A 130 7.044 -6.233 4.422 1.00 3.53 H new ATOM 0 HA VAL A 130 8.965 -7.661 2.823 1.00 2.42 H new ATOM 0 HB VAL A 130 10.605 -6.075 3.711 1.00 11.41 H new ATOM 0 HG11 VAL A 130 9.686 -4.005 2.715 1.00 11.01 H new ATOM 0 HG12 VAL A 130 9.364 -5.443 1.718 1.00 11.01 H new ATOM 0 HG13 VAL A 130 8.068 -4.745 2.719 1.00 11.01 H new ATOM 0 HG21 VAL A 130 9.850 -4.141 5.063 1.00 60.01 H new ATOM 0 HG22 VAL A 130 8.247 -4.901 5.212 1.00 60.01 H new ATOM 0 HG23 VAL A 130 9.675 -5.686 5.928 1.00 60.01 H new ATOM 2069 N GLU A 131 10.579 -8.564 4.701 1.00 71.25 N ATOM 2070 CA GLU A 131 11.300 -9.314 5.720 1.00 34.24 C ATOM 2071 C GLU A 131 12.105 -8.380 6.626 1.00 74.13 C ATOM 2072 O GLU A 131 12.410 -8.733 7.763 1.00 12.52 O ATOM 2073 CB GLU A 131 12.234 -10.334 5.070 1.00 30.41 C ATOM 2074 CG GLU A 131 11.508 -11.487 4.397 1.00 21.20 C ATOM 2075 CD GLU A 131 12.448 -12.434 3.680 1.00 74.43 C ATOM 2076 OE1 GLU A 131 13.048 -13.296 4.347 1.00 53.05 O ATOM 2077 OE2 GLU A 131 12.586 -12.323 2.445 1.00 53.32 O ATOM 0 H GLU A 131 11.087 -8.454 3.823 1.00 71.25 H new ATOM 0 HA GLU A 131 10.565 -9.838 6.330 1.00 34.24 H new ATOM 0 HB2 GLU A 131 12.854 -9.826 4.331 1.00 30.41 H new ATOM 0 HB3 GLU A 131 12.906 -10.734 5.830 1.00 30.41 H new ATOM 0 HG2 GLU A 131 10.943 -12.041 5.146 1.00 21.20 H new ATOM 0 HG3 GLU A 131 10.786 -11.089 3.683 1.00 21.20 H new ATOM 2084 N ALA A 132 12.426 -7.185 6.121 1.00 14.03 N ATOM 2085 CA ALA A 132 13.277 -6.235 6.836 1.00 11.12 C ATOM 2086 C ALA A 132 12.449 -5.141 7.534 1.00 20.22 C ATOM 2087 O ALA A 132 11.888 -4.267 6.871 1.00 32.51 O ATOM 2088 CB ALA A 132 14.282 -5.612 5.875 1.00 42.04 C ATOM 0 H ALA A 132 12.105 -6.853 5.212 1.00 14.03 H new ATOM 0 HA ALA A 132 13.813 -6.782 7.612 1.00 11.12 H new ATOM 0 HB1 ALA A 132 14.912 -4.905 6.415 1.00 42.04 H new ATOM 0 HB2 ALA A 132 14.904 -6.395 5.441 1.00 42.04 H new ATOM 0 HB3 ALA A 132 13.750 -5.089 5.080 1.00 42.04 H new ATOM 2094 N PRO A 133 12.376 -5.160 8.884 1.00 62.45 N ATOM 2095 CA PRO A 133 11.613 -4.179 9.667 1.00 3.11 C ATOM 2096 C PRO A 133 12.464 -2.962 10.082 1.00 72.34 C ATOM 2097 O PRO A 133 12.492 -2.582 11.265 1.00 34.41 O ATOM 2098 CB PRO A 133 11.196 -5.019 10.878 1.00 73.44 C ATOM 2099 CG PRO A 133 12.317 -5.990 11.089 1.00 42.40 C ATOM 2100 CD PRO A 133 13.034 -6.141 9.770 1.00 55.03 C ATOM 0 HA PRO A 133 10.782 -3.735 9.119 1.00 3.11 H new ATOM 0 HB2 PRO A 133 11.046 -4.394 11.758 1.00 73.44 H new ATOM 0 HB3 PRO A 133 10.256 -5.538 10.692 1.00 73.44 H new ATOM 0 HG2 PRO A 133 12.999 -5.628 11.858 1.00 42.40 H new ATOM 0 HG3 PRO A 133 11.933 -6.952 11.430 1.00 42.40 H new ATOM 0 HD2 PRO A 133 14.100 -5.935 9.870 1.00 55.03 H new ATOM 0 HD3 PRO A 133 12.941 -7.155 9.380 1.00 55.03 H new ATOM 2108 N ALA A 134 13.107 -2.345 9.067 1.00 4.42 N ATOM 2109 CA ALA A 134 14.083 -1.242 9.209 1.00 24.13 C ATOM 2110 C ALA A 134 15.325 -1.679 9.998 1.00 65.00 C ATOM 2111 O ALA A 134 16.293 -2.160 9.407 1.00 4.33 O ATOM 2112 CB ALA A 134 13.460 0.033 9.796 1.00 14.43 C ATOM 0 H ALA A 134 12.956 -2.610 8.094 1.00 4.42 H new ATOM 0 HA ALA A 134 14.406 -0.990 8.199 1.00 24.13 H new ATOM 0 HB1 ALA A 134 14.223 0.807 9.877 1.00 14.43 H new ATOM 0 HB2 ALA A 134 12.659 0.380 9.144 1.00 14.43 H new ATOM 0 HB3 ALA A 134 13.055 -0.182 10.785 1.00 14.43 H new ATOM 2118 N LEU A 135 15.279 -1.537 11.322 1.00 14.22 N ATOM 2119 CA LEU A 135 16.370 -1.950 12.189 1.00 21.23 C ATOM 2120 C LEU A 135 15.829 -2.247 13.580 1.00 12.31 C ATOM 2121 O LEU A 135 15.512 -1.331 14.345 1.00 70.10 O ATOM 2122 CB LEU A 135 17.467 -0.867 12.259 1.00 10.12 C ATOM 2123 CG LEU A 135 18.742 -1.263 13.020 1.00 41.34 C ATOM 2124 CD1 LEU A 135 19.434 -2.439 12.345 1.00 31.32 C ATOM 2125 CD2 LEU A 135 19.690 -0.077 13.119 1.00 23.53 C ATOM 0 H LEU A 135 14.485 -1.133 11.818 1.00 14.22 H new ATOM 0 HA LEU A 135 16.821 -2.852 11.775 1.00 21.23 H new ATOM 0 HB2 LEU A 135 17.744 -0.589 11.242 1.00 10.12 H new ATOM 0 HB3 LEU A 135 17.046 0.022 12.729 1.00 10.12 H new ATOM 0 HG LEU A 135 18.456 -1.568 14.027 1.00 41.34 H new ATOM 0 HD11 LEU A 135 20.334 -2.700 12.902 1.00 31.32 H new ATOM 0 HD12 LEU A 135 18.759 -3.295 12.323 1.00 31.32 H new ATOM 0 HD13 LEU A 135 19.705 -2.165 11.326 1.00 31.32 H new ATOM 0 HD21 LEU A 135 20.588 -0.373 13.661 1.00 23.53 H new ATOM 0 HD22 LEU A 135 19.963 0.255 12.117 1.00 23.53 H new ATOM 0 HD23 LEU A 135 19.199 0.738 13.650 1.00 23.53 H new ATOM 2137 N GLU A 136 15.675 -3.528 13.881 1.00 40.33 N ATOM 2138 CA GLU A 136 15.290 -3.961 15.213 1.00 53.32 C ATOM 2139 C GLU A 136 16.091 -5.206 15.576 1.00 73.04 C ATOM 2140 O GLU A 136 15.637 -6.337 15.388 1.00 53.52 O ATOM 2141 CB GLU A 136 13.774 -4.224 15.297 1.00 54.45 C ATOM 2142 CG GLU A 136 13.138 -3.833 16.633 1.00 13.23 C ATOM 2143 CD GLU A 136 13.647 -4.635 17.820 1.00 64.01 C ATOM 2144 OE1 GLU A 136 13.102 -5.727 18.081 1.00 14.45 O ATOM 2145 OE2 GLU A 136 14.578 -4.169 18.510 1.00 23.32 O ATOM 0 H GLU A 136 15.812 -4.289 13.215 1.00 40.33 H new ATOM 0 HA GLU A 136 15.512 -3.170 15.929 1.00 53.32 H new ATOM 0 HB2 GLU A 136 13.277 -3.675 14.497 1.00 54.45 H new ATOM 0 HB3 GLU A 136 13.591 -5.283 15.117 1.00 54.45 H new ATOM 0 HG2 GLU A 136 13.324 -2.775 16.816 1.00 13.23 H new ATOM 0 HG3 GLU A 136 12.058 -3.958 16.560 1.00 13.23 H new ATOM 2152 N HIS A 137 17.309 -4.979 16.050 1.00 22.25 N ATOM 2153 CA HIS A 137 18.224 -6.057 16.410 1.00 2.33 C ATOM 2154 C HIS A 137 19.003 -5.696 17.668 1.00 41.34 C ATOM 2155 O HIS A 137 20.069 -5.081 17.595 1.00 63.25 O ATOM 2156 CB HIS A 137 19.211 -6.363 15.265 1.00 73.21 C ATOM 2157 CG HIS A 137 18.686 -7.255 14.181 1.00 62.24 C ATOM 2158 ND1 HIS A 137 18.943 -7.040 12.845 1.00 33.11 N ATOM 2159 CD2 HIS A 137 17.952 -8.389 14.241 1.00 65.12 C ATOM 2160 CE1 HIS A 137 18.387 -7.997 12.131 1.00 43.15 C ATOM 2161 NE2 HIS A 137 17.782 -8.830 12.954 1.00 33.01 N ATOM 0 H HIS A 137 17.691 -4.045 16.196 1.00 22.25 H new ATOM 0 HA HIS A 137 17.624 -6.947 16.597 1.00 2.33 H new ATOM 0 HB2 HIS A 137 19.523 -5.420 14.816 1.00 73.21 H new ATOM 0 HB3 HIS A 137 20.102 -6.824 15.691 1.00 73.21 H new ATOM 0 HD2 HIS A 137 17.571 -8.859 15.135 1.00 65.12 H new ATOM 0 HE1 HIS A 137 18.421 -8.084 11.055 1.00 43.15 H new ATOM 0 HE2 HIS A 137 17.270 -9.668 12.678 1.00 33.01 H new ATOM 2170 N HIS A 138 18.449 -6.042 18.827 1.00 1.31 N ATOM 2171 CA HIS A 138 19.129 -5.819 20.103 1.00 71.04 C ATOM 2172 C HIS A 138 19.284 -7.133 20.867 1.00 4.43 C ATOM 2173 O HIS A 138 20.403 -7.558 21.145 1.00 11.25 O ATOM 2174 CB HIS A 138 18.397 -4.780 20.972 1.00 11.24 C ATOM 2175 CG HIS A 138 18.518 -3.358 20.493 1.00 32.25 C ATOM 2176 ND1 HIS A 138 17.499 -2.438 20.599 1.00 73.24 N ATOM 2177 CD2 HIS A 138 19.557 -2.698 19.932 1.00 5.32 C ATOM 2178 CE1 HIS A 138 17.905 -1.275 20.129 1.00 15.11 C ATOM 2179 NE2 HIS A 138 19.149 -1.409 19.713 1.00 53.31 N ATOM 0 H HIS A 138 17.531 -6.478 18.911 1.00 1.31 H new ATOM 0 HA HIS A 138 20.118 -5.421 19.876 1.00 71.04 H new ATOM 0 HB2 HIS A 138 17.341 -5.045 21.017 1.00 11.24 H new ATOM 0 HB3 HIS A 138 18.784 -4.840 21.989 1.00 11.24 H new ATOM 0 HD2 HIS A 138 20.528 -3.111 19.700 1.00 5.32 H new ATOM 0 HE1 HIS A 138 17.319 -0.368 20.091 1.00 15.11 H new ATOM 0 HE2 HIS A 138 19.716 -0.671 19.295 1.00 53.31 H new ATOM 2188 N HIS A 139 18.157 -7.770 21.205 1.00 71.24 N ATOM 2189 CA HIS A 139 18.157 -9.062 21.906 1.00 71.44 C ATOM 2190 C HIS A 139 16.802 -9.750 21.751 1.00 62.13 C ATOM 2191 O HIS A 139 15.780 -9.068 21.604 1.00 72.23 O ATOM 2192 CB HIS A 139 18.568 -8.943 23.406 1.00 3.32 C ATOM 2193 CG HIS A 139 17.740 -8.030 24.288 1.00 74.23 C ATOM 2194 ND1 HIS A 139 17.119 -8.473 25.437 1.00 33.03 N ATOM 2195 CD2 HIS A 139 17.511 -6.696 24.238 1.00 63.42 C ATOM 2196 CE1 HIS A 139 16.548 -7.452 26.048 1.00 20.34 C ATOM 2197 NE2 HIS A 139 16.774 -6.360 25.345 1.00 71.23 N ATOM 0 H HIS A 139 17.225 -7.409 21.003 1.00 71.24 H new ATOM 0 HA HIS A 139 18.921 -9.681 21.436 1.00 71.44 H new ATOM 0 HB2 HIS A 139 18.546 -9.942 23.841 1.00 3.32 H new ATOM 0 HB3 HIS A 139 19.602 -8.601 23.445 1.00 3.32 H new ATOM 0 HD2 HIS A 139 17.848 -6.019 23.466 1.00 63.42 H new ATOM 0 HE1 HIS A 139 15.989 -7.503 26.970 1.00 20.34 H new ATOM 0 HE2 HIS A 139 16.454 -5.422 25.584 1.00 71.23 H new ATOM 2206 N HIS A 140 16.830 -11.100 21.813 1.00 63.13 N ATOM 2207 CA HIS A 140 15.696 -12.001 21.487 1.00 0.32 C ATOM 2208 C HIS A 140 15.387 -11.987 19.994 1.00 44.30 C ATOM 2209 O HIS A 140 14.789 -11.040 19.473 1.00 13.23 O ATOM 2210 CB HIS A 140 14.415 -11.715 22.289 1.00 54.12 C ATOM 2211 CG HIS A 140 14.410 -12.259 23.682 1.00 23.13 C ATOM 2212 ND1 HIS A 140 13.750 -13.417 24.034 1.00 73.21 N ATOM 2213 CD2 HIS A 140 14.952 -11.780 24.821 1.00 13.03 C ATOM 2214 CE1 HIS A 140 13.884 -13.623 25.328 1.00 54.11 C ATOM 2215 NE2 HIS A 140 14.609 -12.643 25.834 1.00 31.32 N ATOM 0 H HIS A 140 17.666 -11.610 22.099 1.00 63.13 H new ATOM 0 HA HIS A 140 16.033 -12.995 21.782 1.00 0.32 H new ATOM 0 HB2 HIS A 140 14.266 -10.636 22.335 1.00 54.12 H new ATOM 0 HB3 HIS A 140 13.565 -12.131 21.749 1.00 54.12 H new ATOM 0 HD2 HIS A 140 15.546 -10.883 24.919 1.00 13.03 H new ATOM 0 HE1 HIS A 140 13.471 -14.453 25.881 1.00 54.11 H new ATOM 0 HE2 HIS A 140 14.871 -12.543 26.815 1.00 31.32 H new ATOM 2224 N HIS A 141 15.823 -13.036 19.308 1.00 41.20 N ATOM 2225 CA HIS A 141 15.581 -13.176 17.877 1.00 35.34 C ATOM 2226 C HIS A 141 15.401 -14.653 17.510 1.00 41.24 C ATOM 2227 O HIS A 141 16.116 -15.523 18.022 1.00 12.14 O ATOM 2228 CB HIS A 141 16.717 -12.511 17.039 1.00 12.43 C ATOM 2229 CG HIS A 141 18.058 -13.218 17.011 1.00 70.52 C ATOM 2230 ND1 HIS A 141 18.957 -13.192 18.058 1.00 74.10 N ATOM 2231 CD2 HIS A 141 18.633 -13.984 16.049 1.00 71.24 C ATOM 2232 CE1 HIS A 141 20.022 -13.907 17.742 1.00 34.12 C ATOM 2233 NE2 HIS A 141 19.848 -14.398 16.530 1.00 64.41 N ATOM 0 H HIS A 141 16.349 -13.806 19.722 1.00 41.20 H new ATOM 0 HA HIS A 141 14.657 -12.651 17.633 1.00 35.34 H new ATOM 0 HB2 HIS A 141 16.366 -12.411 16.012 1.00 12.43 H new ATOM 0 HB3 HIS A 141 16.874 -11.503 17.422 1.00 12.43 H new ATOM 0 HD2 HIS A 141 18.211 -14.223 15.084 1.00 71.24 H new ATOM 0 HE1 HIS A 141 20.887 -14.063 18.369 1.00 34.12 H new ATOM 0 HE2 HIS A 141 20.511 -14.991 16.031 1.00 64.41 H new ATOM 2242 N HIS A 142 14.436 -14.930 16.648 1.00 31.44 N ATOM 2243 CA HIS A 142 14.232 -16.274 16.129 1.00 3.42 C ATOM 2244 C HIS A 142 14.749 -16.342 14.695 1.00 22.51 C ATOM 2245 O HIS A 142 14.371 -15.527 13.852 1.00 64.51 O ATOM 2246 CB HIS A 142 12.740 -16.661 16.198 1.00 53.21 C ATOM 2247 CG HIS A 142 12.448 -18.099 15.854 1.00 15.32 C ATOM 2248 ND1 HIS A 142 12.023 -18.504 14.607 1.00 3.33 N ATOM 2249 CD2 HIS A 142 12.525 -19.225 16.604 1.00 22.20 C ATOM 2250 CE1 HIS A 142 11.853 -19.813 14.601 1.00 1.23 C ATOM 2251 NE2 HIS A 142 12.152 -20.274 15.800 1.00 4.03 N ATOM 0 H HIS A 142 13.778 -14.238 16.291 1.00 31.44 H new ATOM 0 HA HIS A 142 14.786 -16.987 16.740 1.00 3.42 H new ATOM 0 HB2 HIS A 142 12.372 -16.460 17.204 1.00 53.21 H new ATOM 0 HB3 HIS A 142 12.180 -16.018 15.519 1.00 53.21 H new ATOM 0 HD2 HIS A 142 12.824 -19.286 17.640 1.00 22.20 H new ATOM 0 HE1 HIS A 142 11.525 -20.405 13.759 1.00 1.23 H new ATOM 0 HE2 HIS A 142 12.113 -21.253 16.084 1.00 4.03 H new TER 2260 HIS A 142