USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot -76:sc= 1.36 USER MOD Set 1.2: A 57 SER OG : rot -43:sc= 0.229 USER MOD Set 2.1: A 7 THR OG1 : rot 118:sc= 0.513 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -161:sc= 1.23 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 148:sc= 1 USER MOD Single : A 1 MET CE :methyl -176:sc= -0.0286 (180deg=-0.0605) USER MOD Single : A 1 MET N :NH3+ 172:sc= 1.23 (180deg=1.11) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 11 LYS NZ :NH3+ -157:sc= 0.989 (180deg=-0.0827!) USER MOD Single : A 14 THR OG1 : rot -54:sc= 0.171 USER MOD Single : A 20 SER OG : rot 180:sc= 0.112 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.278 K(o=-0.28,f=-1.3) USER MOD Single : A 27 LYS NZ :NH3+ 151:sc= 1.25 (180deg=1.09) USER MOD Single : A 29 LYS NZ :NH3+ -109:sc= 0.842 (180deg=-0.0308) USER MOD Single : A 31 GLN : amide:sc= -0.0587 K(o=-0.059,f=-2.9!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 41 GLN : amide:sc= 1.17 K(o=1.2,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0146 K(o=-0.015,f=-0.9) USER MOD Single : A 59 TYR OH : rot 60:sc= 0.177 USER MOD Single : A 60 ASN : amide:sc= -0.205 K(o=-0.21,f=-3.2!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -125:sc= 0.452 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.17 K(o=0.17,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.425 -6.664 -4.659 1.00 9.67 N ATOM 2 CA MET A 1 12.071 -6.633 -3.227 1.00 10.38 C ATOM 3 C MET A 1 10.710 -7.250 -3.004 1.00 9.62 C ATOM 4 O MET A 1 9.826 -7.205 -3.856 1.00 9.62 O ATOM 5 CB MET A 1 12.055 -5.219 -2.616 1.00 13.77 C ATOM 6 CG MET A 1 12.170 -5.052 -1.108 1.00 16.29 C ATOM 7 SD MET A 1 12.329 -3.366 -0.513 1.00 17.17 S ATOM 8 CE MET A 1 10.568 -2.977 -0.232 1.00 16.11 C ATOM 0 H1 MET A 1 13.297 -6.118 -4.813 1.00 9.67 H new ATOM 0 H2 MET A 1 12.576 -7.649 -4.958 1.00 9.67 H new ATOM 0 H3 MET A 1 11.652 -6.247 -5.217 1.00 9.67 H new ATOM 0 HA MET A 1 12.855 -7.204 -2.729 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.872 -4.658 -3.070 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.127 -4.739 -2.928 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.290 -5.498 -0.645 1.00 16.29 H new ATOM 0 HG3 MET A 1 13.034 -5.621 -0.764 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.470 -1.936 0.075 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.008 -3.138 -1.153 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.173 -3.624 0.551 1.00 16.11 H new ATOM 20 N GLN A 2 10.433 -7.860 -1.798 1.00 9.27 N ATOM 21 CA GLN A 2 9.103 -8.387 -1.438 1.00 9.07 C ATOM 22 C GLN A 2 8.543 -7.721 -0.212 1.00 8.72 C ATOM 23 O GLN A 2 9.313 -7.429 0.709 1.00 8.22 O ATOM 24 CB GLN A 2 9.288 -9.830 -1.153 1.00 14.46 C ATOM 25 CG GLN A 2 8.021 -10.682 -0.997 1.00 17.01 C ATOM 26 CD GLN A 2 8.422 -12.159 -0.751 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.262 -12.442 0.111 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.983 -13.101 -1.610 1.00 19.49 N ATOM 0 H GLN A 2 11.133 -7.989 -1.068 1.00 9.27 H new ATOM 0 HA GLN A 2 8.404 -8.202 -2.254 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.887 -10.259 -1.956 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.872 -9.921 -0.237 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.421 -10.313 -0.165 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.405 -10.605 -1.893 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.290 -12.861 -2.319 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.344 -14.053 -1.551 1.00 19.49 H new ATOM 37 N ILE A 3 7.226 -7.518 -0.174 1.00 5.87 N ATOM 38 CA ILE A 3 6.584 -6.891 1.020 1.00 5.07 C ATOM 39 C ILE A 3 5.262 -7.652 1.311 1.00 4.01 C ATOM 40 O ILE A 3 4.792 -8.430 0.555 1.00 4.61 O ATOM 41 CB ILE A 3 6.218 -5.500 0.814 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.407 -5.210 -0.470 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.485 -4.636 0.875 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.994 -3.738 -0.601 1.00 10.83 C ATOM 0 H ILE A 3 6.583 -7.765 -0.926 1.00 5.87 H new ATOM 0 HA ILE A 3 7.309 -6.942 1.832 1.00 5.07 H new ATOM 0 HB ILE A 3 5.531 -5.243 1.620 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.000 -5.493 -1.339 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.513 -5.834 -0.477 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.220 -3.590 0.721 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.957 -4.751 1.851 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.179 -4.952 0.096 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.428 -3.599 -1.522 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.375 -3.457 0.251 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.885 -3.111 -0.625 1.00 10.83 H new ATOM 56 N PHE A 4 4.704 -7.358 2.494 1.00 4.55 N ATOM 57 CA PHE A 4 3.439 -7.796 2.919 1.00 4.68 C ATOM 58 C PHE A 4 2.467 -6.674 3.124 1.00 5.30 C ATOM 59 O PHE A 4 2.794 -5.580 3.553 1.00 5.58 O ATOM 60 CB PHE A 4 3.509 -8.585 4.248 1.00 4.83 C ATOM 61 CG PHE A 4 4.444 -9.709 4.224 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.080 -10.724 3.316 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.636 -9.844 4.994 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.777 -11.919 3.300 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.359 -11.055 4.903 1.00 10.61 C ATOM 66 CZ PHE A 4 5.908 -12.142 4.123 1.00 8.90 C ATOM 0 H PHE A 4 5.175 -6.778 3.188 1.00 4.55 H new ATOM 0 HA PHE A 4 3.092 -8.439 2.110 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.797 -7.903 5.048 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.514 -8.959 4.490 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.258 -10.569 2.633 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.978 -9.041 5.631 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.448 -12.707 2.639 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.286 -11.152 5.448 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.404 -13.101 4.153 1.00 8.90 H new ATOM 76 N VAL A 5 1.220 -6.958 2.825 1.00 4.44 N ATOM 77 CA VAL A 5 0.217 -5.914 3.036 1.00 3.87 C ATOM 78 C VAL A 5 -0.861 -6.583 3.803 1.00 4.93 C ATOM 79 O VAL A 5 -1.369 -7.654 3.454 1.00 6.84 O ATOM 80 CB VAL A 5 -0.469 -5.411 1.720 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.633 -4.500 1.962 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.523 -4.643 0.809 1.00 9.13 C ATOM 0 H VAL A 5 0.879 -7.845 2.456 1.00 4.44 H new ATOM 0 HA VAL A 5 0.702 -5.060 3.508 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.819 -6.323 1.238 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.058 -4.191 1.007 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.391 -5.025 2.544 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.298 -3.620 2.511 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.007 -4.312 -0.092 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.912 -3.777 1.344 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.348 -5.300 0.534 1.00 9.13 H new ATOM 92 N LYS A 6 -1.211 -6.037 4.970 1.00 6.04 N ATOM 93 CA LYS A 6 -2.295 -6.543 5.772 1.00 6.12 C ATOM 94 C LYS A 6 -3.599 -5.792 5.334 1.00 6.57 C ATOM 95 O LYS A 6 -3.620 -4.534 5.334 1.00 5.76 O ATOM 96 CB LYS A 6 -2.133 -6.322 7.302 1.00 7.45 C ATOM 97 CG LYS A 6 -1.005 -7.249 7.909 1.00 11.12 C ATOM 98 CD LYS A 6 -1.609 -8.632 8.131 1.00 14.54 C ATOM 99 CE LYS A 6 -0.784 -9.459 9.124 1.00 18.84 C ATOM 100 NZ LYS A 6 0.111 -10.489 8.493 1.00 20.55 N ATOM 0 H LYS A 6 -0.740 -5.228 5.375 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.323 -7.620 5.608 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.889 -5.277 7.495 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -3.080 -6.526 7.802 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.153 -7.308 7.231 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.637 -6.837 8.849 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.628 -8.528 8.503 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.669 -9.160 7.179 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.172 -8.782 9.720 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.465 -9.961 9.811 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.377 -11.200 9.204 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.392 -10.954 7.710 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.968 -10.027 8.128 1.00 20.55 H new ATOM 114 N THR A 7 -4.659 -6.537 4.957 1.00 7.41 N ATOM 115 CA THR A 7 -5.917 -5.924 4.520 1.00 7.48 C ATOM 116 C THR A 7 -6.766 -5.402 5.691 1.00 8.75 C ATOM 117 O THR A 7 -6.433 -5.811 6.779 1.00 8.58 O ATOM 118 CB THR A 7 -6.811 -6.750 3.611 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.339 -7.908 4.185 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.025 -7.228 2.300 1.00 9.17 C ATOM 0 H THR A 7 -4.663 -7.557 4.949 1.00 7.41 H new ATOM 0 HA THR A 7 -5.544 -5.101 3.910 1.00 7.48 H new ATOM 0 HB THR A 7 -7.631 -6.067 3.388 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.317 -7.848 4.203 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.692 -7.817 1.670 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.678 -6.356 1.746 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.169 -7.837 2.591 1.00 9.17 H new ATOM 128 N LEU A 8 -7.737 -4.525 5.574 1.00 9.84 N ATOM 129 CA LEU A 8 -8.641 -4.124 6.610 1.00 14.15 C ATOM 130 C LEU A 8 -9.445 -5.278 7.221 1.00 17.37 C ATOM 131 O LEU A 8 -9.707 -5.404 8.394 1.00 17.01 O ATOM 132 CB LEU A 8 -9.535 -2.986 6.081 1.00 16.63 C ATOM 133 CG LEU A 8 -10.473 -2.315 7.122 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.840 -1.481 8.223 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.519 -1.580 6.347 1.00 18.59 C ATOM 0 H LEU A 8 -7.922 -4.046 4.693 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.048 -3.756 7.447 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.893 -2.217 5.651 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.148 -3.380 5.270 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.894 -3.115 7.731 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.620 -1.079 8.869 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.167 -2.105 8.811 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.278 -0.659 7.779 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.206 -1.089 7.037 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.044 -0.831 5.714 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.072 -2.283 5.724 1.00 18.59 H new ATOM 147 N THR A 9 -9.702 -6.297 6.372 1.00 18.33 N ATOM 148 CA THR A 9 -10.479 -7.459 6.682 1.00 19.24 C ATOM 149 C THR A 9 -9.625 -8.655 7.089 1.00 19.48 C ATOM 150 O THR A 9 -10.144 -9.753 7.227 1.00 23.14 O ATOM 151 CB THR A 9 -11.371 -7.904 5.578 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.693 -8.123 4.324 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.444 -6.803 5.436 1.00 19.70 C ATOM 0 H THR A 9 -9.346 -6.307 5.416 1.00 18.33 H new ATOM 0 HA THR A 9 -11.090 -7.129 7.522 1.00 19.24 H new ATOM 0 HB THR A 9 -11.795 -8.877 5.826 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.341 -8.414 3.649 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.136 -7.070 4.637 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.992 -6.706 6.373 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.963 -5.854 5.198 1.00 19.70 H new ATOM 161 N GLY A 10 -8.287 -8.457 7.284 1.00 19.43 N ATOM 162 CA GLY A 10 -7.409 -9.399 8.036 1.00 18.74 C ATOM 163 C GLY A 10 -6.481 -10.299 7.216 1.00 17.62 C ATOM 164 O GLY A 10 -5.647 -11.085 7.678 1.00 19.74 O ATOM 0 H GLY A 10 -7.791 -7.642 6.924 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.794 -8.814 8.720 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.046 -10.038 8.647 1.00 18.74 H new ATOM 168 N LYS A 11 -6.475 -10.208 5.839 1.00 13.56 N ATOM 169 CA LYS A 11 -5.764 -11.071 4.890 1.00 11.91 C ATOM 170 C LYS A 11 -4.377 -10.521 4.588 1.00 10.18 C ATOM 171 O LYS A 11 -4.171 -9.334 4.517 1.00 9.10 O ATOM 172 CB LYS A 11 -6.589 -11.279 3.561 1.00 13.43 C ATOM 173 CG LYS A 11 -6.191 -12.404 2.574 1.00 16.69 C ATOM 174 CD LYS A 11 -7.209 -12.534 1.401 1.00 17.92 C ATOM 175 CE LYS A 11 -7.032 -13.675 0.359 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.002 -13.570 -0.778 1.00 21.93 N ATOM 0 H LYS A 11 -7.005 -9.480 5.360 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.649 -12.048 5.360 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.627 -11.450 3.846 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.560 -10.339 3.010 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.198 -12.200 2.172 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.130 -13.352 3.109 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.201 -12.643 1.839 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.203 -11.590 0.856 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.015 -13.651 -0.032 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.160 -14.638 0.854 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.124 -14.504 -1.218 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.919 -13.233 -0.422 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.638 -12.899 -1.484 1.00 21.93 H new ATOM 190 N THR A 12 -3.372 -11.392 4.497 1.00 9.63 N ATOM 191 CA THR A 12 -2.010 -10.960 4.276 1.00 9.85 C ATOM 192 C THR A 12 -1.677 -11.103 2.756 1.00 11.66 C ATOM 193 O THR A 12 -1.681 -12.163 2.181 1.00 12.33 O ATOM 194 CB THR A 12 -0.913 -11.657 5.096 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.291 -11.678 6.487 1.00 10.91 O ATOM 196 CG2 THR A 12 0.321 -10.679 5.089 1.00 9.63 C ATOM 0 H THR A 12 -3.486 -12.403 4.575 1.00 9.63 H new ATOM 0 HA THR A 12 -1.992 -9.928 4.626 1.00 9.85 H new ATOM 0 HB THR A 12 -0.732 -12.654 4.695 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.935 -12.487 6.910 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.138 -11.121 5.659 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.645 -10.509 4.062 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.035 -9.729 5.541 1.00 9.63 H new ATOM 204 N ILE A 13 -1.315 -10.022 2.045 1.00 10.42 N ATOM 205 CA ILE A 13 -1.125 -10.053 0.610 1.00 11.84 C ATOM 206 C ILE A 13 0.340 -9.887 0.297 1.00 10.55 C ATOM 207 O ILE A 13 0.967 -8.921 0.664 1.00 11.92 O ATOM 208 CB ILE A 13 -1.874 -8.980 -0.050 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.448 -9.004 0.280 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.618 -8.943 -1.602 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.212 -8.036 -0.589 1.00 16.46 C ATOM 0 H ILE A 13 -1.149 -9.106 2.463 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.491 -11.011 0.240 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.484 -8.054 0.373 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.836 -10.012 0.132 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.604 -8.754 1.329 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.194 -8.132 -2.047 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.557 -8.781 -1.792 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -1.925 -9.891 -2.044 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.272 -8.080 -0.338 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.841 -7.025 -0.421 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.076 -8.303 -1.637 1.00 16.46 H new ATOM 223 N THR A 14 0.979 -10.921 -0.350 1.00 9.39 N ATOM 224 CA THR A 14 2.453 -10.927 -0.638 1.00 9.63 C ATOM 225 C THR A 14 2.658 -10.309 -2.028 1.00 11.20 C ATOM 226 O THR A 14 1.992 -10.717 -2.987 1.00 11.63 O ATOM 227 CB THR A 14 3.139 -12.292 -0.480 1.00 10.38 C ATOM 228 OG1 THR A 14 2.937 -12.898 0.760 1.00 16.30 O ATOM 229 CG2 THR A 14 4.628 -12.221 -0.591 1.00 11.66 C ATOM 0 H THR A 14 0.495 -11.756 -0.679 1.00 9.39 H new ATOM 0 HA THR A 14 2.952 -10.327 0.123 1.00 9.63 H new ATOM 0 HB THR A 14 2.680 -12.862 -1.288 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.193 -12.277 1.473 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.050 -13.219 -0.470 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.902 -11.828 -1.570 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.020 -11.565 0.186 1.00 11.66 H new ATOM 237 N LEU A 15 3.497 -9.260 -2.084 1.00 8.29 N ATOM 238 CA LEU A 15 3.675 -8.552 -3.348 1.00 9.03 C ATOM 239 C LEU A 15 5.262 -8.482 -3.678 1.00 8.59 C ATOM 240 O LEU A 15 6.043 -8.554 -2.729 1.00 7.79 O ATOM 241 CB LEU A 15 3.142 -7.040 -3.272 1.00 11.08 C ATOM 242 CG LEU A 15 1.559 -6.904 -3.075 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.100 -5.463 -3.017 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.870 -7.651 -4.194 1.00 15.27 C ATOM 0 H LEU A 15 4.040 -8.900 -1.299 1.00 8.29 H new ATOM 0 HA LEU A 15 3.112 -9.089 -4.111 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.643 -6.532 -2.448 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.428 -6.521 -4.187 1.00 11.08 H new ATOM 0 HG LEU A 15 1.291 -7.339 -2.112 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.019 -5.431 -2.883 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.585 -4.960 -2.180 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.365 -4.959 -3.946 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.210 -7.569 -4.075 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.163 -7.222 -5.152 1.00 15.27 H new ATOM 0 HD23 LEU A 15 1.159 -8.701 -4.163 1.00 15.27 H new ATOM 256 N GLU A 16 5.612 -8.344 -4.997 1.00 11.04 N ATOM 257 CA GLU A 16 6.913 -8.246 -5.642 1.00 11.50 C ATOM 258 C GLU A 16 7.016 -6.740 -6.147 1.00 10.13 C ATOM 259 O GLU A 16 6.262 -6.309 -7.040 1.00 9.83 O ATOM 260 CB GLU A 16 7.031 -9.082 -6.884 1.00 17.22 C ATOM 261 CG GLU A 16 8.466 -9.104 -7.448 1.00 23.33 C ATOM 262 CD GLU A 16 8.626 -9.988 -8.686 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.579 -11.236 -8.597 1.00 28.86 O ATOM 264 OE2 GLU A 16 8.626 -9.440 -9.809 1.00 28.90 O ATOM 0 H GLU A 16 4.875 -8.295 -5.700 1.00 11.04 H new ATOM 0 HA GLU A 16 7.673 -8.572 -4.932 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.716 -10.102 -6.663 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.352 -8.696 -7.644 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.764 -8.086 -7.698 1.00 23.33 H new ATOM 0 HG3 GLU A 16 9.147 -9.454 -6.672 1.00 23.33 H new ATOM 271 N VAL A 17 7.915 -5.927 -5.570 1.00 8.99 N ATOM 272 CA VAL A 17 8.112 -4.515 -5.794 1.00 8.85 C ATOM 273 C VAL A 17 9.567 -4.215 -5.877 1.00 8.04 C ATOM 274 O VAL A 17 10.441 -4.946 -5.404 1.00 8.99 O ATOM 275 CB VAL A 17 7.604 -3.607 -4.651 1.00 9.78 C ATOM 276 CG1 VAL A 17 6.038 -3.519 -4.660 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.065 -4.149 -3.268 1.00 10.54 C ATOM 0 H VAL A 17 8.572 -6.287 -4.878 1.00 8.99 H new ATOM 0 HA VAL A 17 7.554 -4.309 -6.707 1.00 8.85 H new ATOM 0 HB VAL A 17 8.025 -2.615 -4.813 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.705 -2.874 -3.846 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.702 -3.106 -5.611 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.617 -4.516 -4.529 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.696 -3.494 -2.479 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.669 -5.154 -3.120 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.154 -4.180 -3.234 1.00 10.54 H new ATOM 287 N GLU A 18 9.900 -3.044 -6.484 1.00 7.29 N ATOM 288 CA GLU A 18 11.174 -2.458 -6.235 1.00 7.08 C ATOM 289 C GLU A 18 10.978 -1.381 -5.174 1.00 6.45 C ATOM 290 O GLU A 18 9.926 -0.781 -5.044 1.00 5.28 O ATOM 291 CB GLU A 18 11.811 -1.839 -7.499 1.00 10.28 C ATOM 292 CG GLU A 18 12.088 -2.874 -8.566 1.00 12.65 C ATOM 293 CD GLU A 18 13.194 -3.802 -8.274 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.161 -3.425 -7.545 1.00 18.17 O ATOM 295 OE2 GLU A 18 13.129 -4.943 -8.830 1.00 14.33 O ATOM 0 H GLU A 18 9.299 -2.527 -7.126 1.00 7.29 H new ATOM 0 HA GLU A 18 11.859 -3.238 -5.902 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.146 -1.074 -7.901 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.742 -1.341 -7.228 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.181 -3.456 -8.728 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.306 -2.358 -9.501 1.00 12.65 H new ATOM 302 N PRO A 19 12.042 -1.094 -4.390 1.00 7.24 N ATOM 303 CA PRO A 19 11.981 -0.130 -3.324 1.00 7.07 C ATOM 304 C PRO A 19 11.780 1.343 -3.788 1.00 6.65 C ATOM 305 O PRO A 19 11.436 2.234 -2.986 1.00 6.37 O ATOM 306 CB PRO A 19 13.285 -0.248 -2.516 1.00 7.61 C ATOM 307 CG PRO A 19 14.224 -0.670 -3.619 1.00 8.16 C ATOM 308 CD PRO A 19 13.373 -1.732 -4.395 1.00 7.49 C ATOM 0 HA PRO A 19 11.098 -0.361 -2.728 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.578 0.695 -2.054 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.218 -0.987 -1.718 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.506 0.169 -4.256 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.147 -1.097 -3.226 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.745 -1.899 -5.406 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.367 -2.700 -3.894 1.00 7.49 H new ATOM 316 N SER A 20 11.917 1.639 -5.084 1.00 6.80 N ATOM 317 CA SER A 20 11.716 2.878 -5.723 1.00 6.28 C ATOM 318 C SER A 20 10.357 3.005 -6.403 1.00 8.45 C ATOM 319 O SER A 20 9.950 4.075 -6.891 1.00 7.26 O ATOM 320 CB SER A 20 12.718 2.911 -6.871 1.00 8.57 C ATOM 321 OG SER A 20 12.801 1.674 -7.620 1.00 11.13 O ATOM 0 H SER A 20 12.201 0.922 -5.751 1.00 6.80 H new ATOM 0 HA SER A 20 11.808 3.661 -4.970 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.447 3.718 -7.552 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.704 3.148 -6.472 1.00 8.57 H new ATOM 0 HG SER A 20 13.460 1.770 -8.339 1.00 11.13 H new ATOM 327 N ASP A 21 9.493 1.971 -6.450 1.00 7.50 N ATOM 328 CA ASP A 21 8.138 2.027 -6.964 1.00 7.70 C ATOM 329 C ASP A 21 7.164 2.788 -6.064 1.00 7.08 C ATOM 330 O ASP A 21 7.362 2.951 -4.876 1.00 8.11 O ATOM 331 CB ASP A 21 7.622 0.604 -7.090 1.00 11.00 C ATOM 332 CG ASP A 21 8.272 -0.245 -8.134 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.954 0.344 -8.991 1.00 18.03 O ATOM 334 OD2 ASP A 21 8.209 -1.464 -8.039 1.00 14.36 O ATOM 0 H ASP A 21 9.745 1.042 -6.113 1.00 7.50 H new ATOM 0 HA ASP A 21 8.185 2.556 -7.916 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.740 0.110 -6.125 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.553 0.645 -7.299 1.00 11.00 H new ATOM 339 N THR A 22 6.045 3.267 -6.591 1.00 5.37 N ATOM 340 CA THR A 22 5.174 4.187 -5.907 1.00 6.01 C ATOM 341 C THR A 22 4.040 3.444 -5.219 1.00 8.01 C ATOM 342 O THR A 22 3.753 2.271 -5.453 1.00 8.11 O ATOM 343 CB THR A 22 4.650 5.328 -6.663 1.00 8.92 C ATOM 344 OG1 THR A 22 3.859 4.886 -7.787 1.00 10.22 O ATOM 345 CG2 THR A 22 5.792 6.246 -7.203 1.00 9.65 C ATOM 0 H THR A 22 5.719 3.016 -7.525 1.00 5.37 H new ATOM 0 HA THR A 22 5.843 4.655 -5.185 1.00 6.01 H new ATOM 0 HB THR A 22 4.032 5.896 -5.968 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.519 5.665 -8.275 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.358 7.079 -7.757 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.375 6.631 -6.367 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.441 5.670 -7.863 1.00 9.65 H new ATOM 353 N ILE A 23 3.354 4.135 -4.285 1.00 8.32 N ATOM 354 CA ILE A 23 2.254 3.704 -3.445 1.00 9.92 C ATOM 355 C ILE A 23 1.156 3.442 -4.377 1.00 10.01 C ATOM 356 O ILE A 23 0.449 2.462 -4.226 1.00 8.71 O ATOM 357 CB ILE A 23 1.879 4.667 -2.365 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.126 4.919 -1.440 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.661 4.251 -1.523 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.607 3.735 -0.544 1.00 12.30 C ATOM 0 H ILE A 23 3.594 5.108 -4.093 1.00 8.32 H new ATOM 0 HA ILE A 23 2.535 2.820 -2.873 1.00 9.92 H new ATOM 0 HB ILE A 23 1.573 5.585 -2.867 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.960 5.222 -2.074 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.897 5.763 -0.789 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.465 5.011 -0.766 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.211 4.150 -2.169 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.864 3.297 -1.036 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.473 4.049 0.040 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.803 3.439 0.130 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.882 2.890 -1.175 1.00 12.30 H new ATOM 372 N GLU A 24 0.965 4.337 -5.377 1.00 9.54 N ATOM 373 CA GLU A 24 0.078 4.202 -6.532 1.00 11.81 C ATOM 374 C GLU A 24 0.181 2.881 -7.297 1.00 11.14 C ATOM 375 O GLU A 24 -0.743 2.201 -7.714 1.00 10.62 O ATOM 376 CB GLU A 24 0.346 5.443 -7.396 1.00 19.24 C ATOM 377 CG GLU A 24 -0.763 5.749 -8.450 1.00 27.76 C ATOM 378 CD GLU A 24 -0.383 6.915 -9.267 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.324 6.700 -10.264 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.828 8.056 -8.910 1.00 34.80 O ATOM 0 H GLU A 24 1.464 5.226 -5.388 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.959 4.157 -6.198 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.457 6.308 -6.742 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.296 5.311 -7.914 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.915 4.881 -9.091 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.710 5.942 -7.946 1.00 27.76 H new ATOM 387 N ASN A 25 1.427 2.359 -7.424 1.00 9.43 N ATOM 388 CA ASN A 25 1.636 1.018 -8.021 1.00 10.96 C ATOM 389 C ASN A 25 1.258 -0.108 -7.067 1.00 9.68 C ATOM 390 O ASN A 25 0.833 -1.158 -7.570 1.00 9.33 O ATOM 391 CB ASN A 25 3.238 0.935 -8.294 1.00 16.78 C ATOM 392 CG ASN A 25 3.643 -0.292 -9.105 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.286 -1.152 -8.556 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.415 -0.393 -10.394 1.00 24.70 N ATOM 0 H ASN A 25 2.281 2.832 -7.129 1.00 9.43 H new ATOM 0 HA ASN A 25 1.020 0.900 -8.912 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.558 1.834 -8.821 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.763 0.922 -7.339 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.780 -1.190 -10.916 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.873 0.326 -10.874 1.00 24.70 H new ATOM 401 N VAL A 26 1.267 0.148 -5.746 1.00 6.52 N ATOM 402 CA VAL A 26 1.051 -0.881 -4.703 1.00 5.53 C ATOM 403 C VAL A 26 -0.433 -1.008 -4.537 1.00 4.42 C ATOM 404 O VAL A 26 -0.987 -2.114 -4.392 1.00 3.40 O ATOM 405 CB VAL A 26 1.862 -0.613 -3.446 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.393 -1.639 -2.296 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.377 -0.714 -3.672 1.00 8.12 C ATOM 0 H VAL A 26 1.425 1.081 -5.366 1.00 6.52 H new ATOM 0 HA VAL A 26 1.437 -1.858 -4.993 1.00 5.53 H new ATOM 0 HB VAL A 26 1.672 0.416 -3.141 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.968 -1.456 -1.389 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.333 -1.494 -2.089 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.560 -2.663 -2.631 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.899 -0.512 -2.737 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.627 -1.717 -4.018 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.682 0.015 -4.422 1.00 8.12 H new ATOM 417 N LYS A 27 -1.199 0.089 -4.623 1.00 2.64 N ATOM 418 CA LYS A 27 -2.647 -0.027 -4.621 1.00 4.14 C ATOM 419 C LYS A 27 -3.173 -0.569 -5.877 1.00 5.58 C ATOM 420 O LYS A 27 -4.267 -1.165 -5.918 1.00 4.11 O ATOM 421 CB LYS A 27 -3.274 1.393 -4.415 1.00 3.97 C ATOM 422 CG LYS A 27 -2.863 2.085 -3.107 1.00 7.45 C ATOM 423 CD LYS A 27 -3.678 3.404 -3.026 1.00 9.02 C ATOM 424 CE LYS A 27 -3.434 4.370 -1.864 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.136 5.670 -2.114 1.00 15.47 N ATOM 0 H LYS A 27 -0.842 1.042 -4.693 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.910 -0.711 -3.815 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.988 2.028 -5.253 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.360 1.304 -4.439 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.073 1.447 -2.249 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.793 2.290 -3.097 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.502 3.954 -3.951 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.734 3.135 -3.011 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.792 3.929 -0.934 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.365 4.543 -1.744 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.392 6.107 -1.205 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.506 6.309 -2.640 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.998 5.498 -2.670 1.00 15.47 H new ATOM 439 N ALA A 28 -2.457 -0.454 -7.006 1.00 6.61 N ATOM 440 CA ALA A 28 -2.828 -1.150 -8.189 1.00 7.74 C ATOM 441 C ALA A 28 -2.703 -2.660 -8.160 1.00 9.17 C ATOM 442 O ALA A 28 -3.579 -3.429 -8.644 1.00 11.45 O ATOM 443 CB ALA A 28 -2.062 -0.604 -9.373 1.00 7.68 C ATOM 0 H ALA A 28 -1.620 0.122 -7.097 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.899 -0.966 -8.275 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.353 -1.143 -10.275 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.288 0.455 -9.495 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.993 -0.730 -9.204 1.00 7.68 H new ATOM 449 N LYS A 29 -1.569 -3.152 -7.538 1.00 8.96 N ATOM 450 CA LYS A 29 -1.320 -4.532 -7.216 1.00 7.90 C ATOM 451 C LYS A 29 -2.301 -4.997 -6.249 1.00 6.92 C ATOM 452 O LYS A 29 -2.803 -6.088 -6.432 1.00 6.87 O ATOM 453 CB LYS A 29 0.091 -4.820 -6.646 1.00 10.28 C ATOM 454 CG LYS A 29 1.307 -4.638 -7.573 1.00 14.94 C ATOM 455 CD LYS A 29 2.700 -4.489 -6.892 1.00 19.69 C ATOM 456 CE LYS A 29 3.880 -4.328 -7.850 1.00 22.63 C ATOM 457 NZ LYS A 29 4.100 -5.512 -8.662 1.00 24.98 N ATOM 0 H LYS A 29 -0.803 -2.541 -7.255 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.394 -5.063 -8.165 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.236 -4.177 -5.778 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.100 -5.849 -6.285 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.350 -5.493 -8.248 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.135 -3.755 -8.188 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.671 -3.625 -6.228 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.877 -5.365 -6.268 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.702 -3.472 -8.501 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.782 -4.111 -7.278 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.971 -5.989 -8.352 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.294 -6.160 -8.556 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.194 -5.236 -9.660 1.00 24.98 H new ATOM 471 N ILE A 30 -2.693 -4.315 -5.161 1.00 4.57 N ATOM 472 CA ILE A 30 -3.763 -4.708 -4.282 1.00 5.58 C ATOM 473 C ILE A 30 -5.176 -4.712 -4.988 1.00 7.26 C ATOM 474 O ILE A 30 -6.004 -5.597 -4.713 1.00 9.46 O ATOM 475 CB ILE A 30 -3.904 -3.891 -2.987 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.610 -4.090 -2.101 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.039 -4.320 -2.010 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.262 -2.817 -1.289 1.00 2.00 C ATOM 0 H ILE A 30 -2.245 -3.445 -4.874 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.457 -5.718 -4.011 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.100 -2.886 -3.359 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.763 -4.925 -1.418 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.768 -4.353 -2.742 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.034 -3.667 -1.137 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.002 -4.243 -2.515 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.877 -5.350 -1.694 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.366 -2.998 -0.695 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.082 -1.987 -1.973 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.092 -2.569 -0.628 1.00 2.00 H new ATOM 490 N GLN A 31 -5.503 -3.870 -5.967 1.00 7.06 N ATOM 491 CA GLN A 31 -6.688 -4.064 -6.749 1.00 8.67 C ATOM 492 C GLN A 31 -6.656 -5.306 -7.582 1.00 10.90 C ATOM 493 O GLN A 31 -7.691 -6.023 -7.624 1.00 9.63 O ATOM 494 CB GLN A 31 -6.854 -2.903 -7.746 1.00 9.12 C ATOM 495 CG GLN A 31 -8.260 -2.800 -8.313 1.00 10.76 C ATOM 496 CD GLN A 31 -8.444 -1.771 -9.395 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.064 -0.749 -9.145 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.867 -1.985 -10.614 1.00 14.76 N ATOM 0 H GLN A 31 -4.953 -3.051 -6.225 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.501 -4.129 -6.026 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.599 -1.967 -7.250 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.147 -3.032 -8.565 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.547 -3.774 -8.709 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.947 -2.573 -7.498 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -7.356 -2.849 -10.791 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.947 -1.280 -11.347 1.00 14.76 H new ATOM 507 N ASP A 32 -5.473 -5.676 -8.109 1.00 10.93 N ATOM 508 CA ASP A 32 -5.425 -6.951 -8.829 1.00 14.01 C ATOM 509 C ASP A 32 -5.727 -8.188 -7.985 1.00 14.04 C ATOM 510 O ASP A 32 -6.453 -9.114 -8.298 1.00 13.39 O ATOM 511 CB ASP A 32 -4.107 -7.076 -9.601 1.00 18.01 C ATOM 512 CG ASP A 32 -3.903 -8.278 -10.434 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.753 -8.681 -11.276 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.835 -8.909 -10.206 1.00 26.29 O ATOM 0 H ASP A 32 -4.600 -5.151 -8.056 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.252 -6.923 -9.539 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.014 -6.203 -10.247 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.291 -7.027 -8.879 1.00 18.01 H new ATOM 519 N LYS A 33 -5.097 -8.192 -6.829 1.00 14.22 N ATOM 520 CA LYS A 33 -5.269 -9.225 -5.804 1.00 14.00 C ATOM 521 C LYS A 33 -6.657 -9.401 -5.171 1.00 12.37 C ATOM 522 O LYS A 33 -7.125 -10.536 -5.104 1.00 12.17 O ATOM 523 CB LYS A 33 -4.164 -9.029 -4.697 1.00 18.62 C ATOM 524 CG LYS A 33 -2.691 -9.158 -5.219 1.00 24.00 C ATOM 525 CD LYS A 33 -2.296 -10.569 -5.606 1.00 27.61 C ATOM 526 CE LYS A 33 -0.844 -10.570 -6.031 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.318 -11.971 -6.179 1.00 30.06 N ATOM 0 H LYS A 33 -4.434 -7.465 -6.560 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.157 -10.163 -6.348 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.291 -8.045 -4.245 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.323 -9.765 -3.909 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.564 -8.506 -6.083 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.010 -8.800 -4.447 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.443 -11.246 -4.765 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.927 -10.928 -6.419 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.740 -10.038 -6.977 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.247 -10.031 -5.295 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.680 -11.938 -6.471 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.396 -12.469 -5.269 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.873 -12.476 -6.899 1.00 30.06 H new ATOM 541 N GLU A 34 -7.289 -8.309 -4.737 1.00 10.11 N ATOM 542 CA GLU A 34 -8.436 -8.353 -3.857 1.00 10.07 C ATOM 543 C GLU A 34 -9.605 -7.410 -4.207 1.00 9.32 C ATOM 544 O GLU A 34 -10.588 -7.285 -3.466 1.00 11.61 O ATOM 545 CB GLU A 34 -7.959 -8.134 -2.380 1.00 14.77 C ATOM 546 CG GLU A 34 -7.398 -9.329 -1.643 1.00 18.75 C ATOM 547 CD GLU A 34 -8.315 -10.511 -1.572 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.165 -10.599 -0.699 1.00 21.95 O ATOM 549 OE2 GLU A 34 -8.022 -11.511 -2.331 1.00 25.19 O ATOM 0 H GLU A 34 -7.008 -7.363 -4.995 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.867 -9.345 -3.993 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.198 -7.354 -2.385 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.804 -7.752 -1.807 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.471 -9.635 -2.128 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.141 -9.025 -0.628 1.00 18.75 H new ATOM 556 N GLY A 35 -9.492 -6.723 -5.334 1.00 7.22 N ATOM 557 CA GLY A 35 -10.580 -5.972 -5.919 1.00 6.29 C ATOM 558 C GLY A 35 -10.851 -4.548 -5.376 1.00 6.93 C ATOM 559 O GLY A 35 -11.862 -3.934 -5.690 1.00 7.41 O ATOM 0 H GLY A 35 -8.627 -6.674 -5.872 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.393 -5.892 -6.990 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.493 -6.556 -5.798 1.00 6.29 H new ATOM 563 N ILE A 36 -9.946 -3.997 -4.483 1.00 5.86 N ATOM 564 CA ILE A 36 -10.250 -2.711 -3.860 1.00 6.07 C ATOM 565 C ILE A 36 -9.784 -1.529 -4.757 1.00 6.36 C ATOM 566 O ILE A 36 -8.608 -1.518 -5.151 1.00 6.18 O ATOM 567 CB ILE A 36 -9.524 -2.571 -2.540 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.523 -3.837 -1.677 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.198 -1.309 -1.875 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.576 -3.692 -0.445 1.00 9.49 C ATOM 0 H ILE A 36 -9.058 -4.419 -4.211 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.330 -2.681 -3.717 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.451 -2.430 -2.673 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.537 -4.046 -1.335 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.209 -4.689 -2.280 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.739 -1.120 -0.905 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.057 -0.440 -2.518 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.264 -1.493 -1.742 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.601 -4.609 0.143 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.558 -3.509 -0.788 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.906 -2.856 0.172 1.00 9.49 H new ATOM 582 N PRO A 37 -10.577 -0.505 -5.162 1.00 8.65 N ATOM 583 CA PRO A 37 -10.180 0.647 -5.941 1.00 9.18 C ATOM 584 C PRO A 37 -8.962 1.415 -5.377 1.00 9.85 C ATOM 585 O PRO A 37 -9.075 1.764 -4.174 1.00 8.51 O ATOM 586 CB PRO A 37 -11.372 1.561 -6.020 1.00 11.42 C ATOM 587 CG PRO A 37 -12.592 0.657 -5.828 1.00 9.27 C ATOM 588 CD PRO A 37 -12.034 -0.481 -4.984 1.00 8.33 C ATOM 0 HA PRO A 37 -9.858 0.293 -6.920 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.328 2.331 -5.249 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.411 2.074 -6.981 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.405 1.176 -5.321 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.986 0.300 -6.780 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.287 -0.336 -3.934 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.471 -1.432 -5.289 1.00 8.33 H new ATOM 596 N PRO A 38 -7.890 1.775 -6.099 1.00 8.71 N ATOM 597 CA PRO A 38 -6.831 2.617 -5.581 1.00 9.08 C ATOM 598 C PRO A 38 -7.284 3.920 -4.835 1.00 9.28 C ATOM 599 O PRO A 38 -6.653 4.288 -3.873 1.00 6.50 O ATOM 600 CB PRO A 38 -6.019 2.965 -6.777 1.00 10.31 C ATOM 601 CG PRO A 38 -6.015 1.655 -7.539 1.00 10.81 C ATOM 602 CD PRO A 38 -7.494 1.177 -7.359 1.00 12.00 C ATOM 0 HA PRO A 38 -6.295 2.070 -4.805 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.467 3.773 -7.355 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.012 3.285 -6.509 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.755 1.793 -8.588 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.302 0.943 -7.124 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.128 1.513 -8.180 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.564 0.090 -7.327 1.00 12.00 H new ATOM 610 N ASP A 39 -8.371 4.573 -5.287 1.00 11.20 N ATOM 611 CA ASP A 39 -8.876 5.775 -4.613 1.00 14.96 C ATOM 612 C ASP A 39 -9.735 5.430 -3.357 1.00 13.99 C ATOM 613 O ASP A 39 -10.023 6.344 -2.604 1.00 13.75 O ATOM 614 CB ASP A 39 -9.828 6.485 -5.618 1.00 24.16 C ATOM 615 CG ASP A 39 -9.089 6.996 -6.779 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.086 7.725 -6.506 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.281 6.565 -7.971 1.00 34.22 O ATOM 0 H ASP A 39 -8.908 4.290 -6.106 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.026 6.381 -4.301 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.596 5.787 -5.951 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.340 7.308 -5.119 1.00 24.16 H new ATOM 622 N GLN A 40 -10.204 4.187 -3.076 1.00 11.60 N ATOM 623 CA GLN A 40 -10.811 3.801 -1.784 1.00 10.76 C ATOM 624 C GLN A 40 -9.724 3.462 -0.809 1.00 8.01 C ATOM 625 O GLN A 40 -9.735 3.897 0.338 1.00 8.96 O ATOM 626 CB GLN A 40 -11.676 2.548 -1.959 1.00 11.14 C ATOM 627 CG GLN A 40 -12.557 2.049 -0.744 1.00 14.85 C ATOM 628 CD GLN A 40 -13.668 1.074 -1.168 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.579 -0.080 -0.758 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.728 1.484 -1.906 1.00 18.16 N ATOM 0 H GLN A 40 -10.169 3.421 -3.748 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.418 4.632 -1.425 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.346 2.725 -2.800 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.015 1.729 -2.245 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.913 1.562 -0.012 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.006 2.911 -0.250 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.778 2.448 -2.235 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.476 0.828 -2.133 1.00 18.16 H new ATOM 639 N GLN A 41 -8.696 2.748 -1.281 1.00 6.52 N ATOM 640 CA GLN A 41 -7.546 2.291 -0.503 1.00 3.87 C ATOM 641 C GLN A 41 -6.787 3.449 0.157 1.00 4.79 C ATOM 642 O GLN A 41 -6.359 4.399 -0.512 1.00 6.34 O ATOM 643 CB GLN A 41 -6.454 1.542 -1.357 1.00 4.20 C ATOM 644 CG GLN A 41 -6.910 0.116 -1.772 1.00 3.20 C ATOM 645 CD GLN A 41 -5.859 -0.635 -2.559 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.726 -0.743 -2.111 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.239 -1.135 -3.734 1.00 7.13 N ATOM 0 H GLN A 41 -8.643 2.462 -2.259 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.000 1.620 0.226 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.231 2.125 -2.251 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.530 1.473 -0.783 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.162 -0.454 -0.877 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.819 0.191 -2.369 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.200 -1.012 -4.054 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.569 -1.641 -4.314 1.00 7.13 H new ATOM 656 N ARG A 42 -6.455 3.373 1.468 1.00 5.73 N ATOM 657 CA ARG A 42 -5.456 4.287 2.074 1.00 6.97 C ATOM 658 C ARG A 42 -4.388 3.472 2.690 1.00 7.15 C ATOM 659 O ARG A 42 -4.633 2.582 3.515 1.00 7.33 O ATOM 660 CB ARG A 42 -6.093 5.188 3.107 1.00 13.23 C ATOM 661 CG ARG A 42 -5.385 6.537 3.220 1.00 21.27 C ATOM 662 CD ARG A 42 -6.074 7.438 4.201 1.00 26.14 C ATOM 663 NE ARG A 42 -5.248 8.694 4.296 1.00 32.26 N ATOM 664 CZ ARG A 42 -5.767 9.798 4.770 1.00 34.32 C ATOM 665 NH1 ARG A 42 -6.814 9.938 5.534 1.00 35.30 N ATOM 666 NH2 ARG A 42 -5.077 10.934 4.553 1.00 36.39 N ATOM 0 H ARG A 42 -6.858 2.698 2.119 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.038 4.928 1.298 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.139 5.351 2.848 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.079 4.691 4.077 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.352 6.382 3.530 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -5.356 7.017 2.242 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.087 7.666 3.870 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.158 6.956 5.175 1.00 26.14 H new ATOM 0 HE ARG A 42 -4.276 8.684 3.988 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.339 9.117 5.835 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.108 10.869 5.831 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -4.195 10.905 4.041 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -5.436 11.823 4.901 1.00 36.39 H new ATOM 680 N LEU A 43 -3.125 3.603 2.292 1.00 4.65 N ATOM 681 CA LEU A 43 -2.093 2.796 2.872 1.00 3.51 C ATOM 682 C LEU A 43 -1.358 3.497 4.010 1.00 5.56 C ATOM 683 O LEU A 43 -1.191 4.700 4.030 1.00 4.19 O ATOM 684 CB LEU A 43 -1.129 2.223 1.799 1.00 3.74 C ATOM 685 CG LEU A 43 -1.800 1.103 0.917 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.964 0.778 -0.299 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.893 -0.239 1.672 1.00 6.41 C ATOM 0 H LEU A 43 -2.809 4.258 1.577 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.593 1.942 3.329 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.787 3.032 1.154 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.247 1.813 2.291 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.780 1.502 0.656 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.458 0.002 -0.883 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.847 1.673 -0.910 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.017 0.424 0.018 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.361 -0.986 1.031 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.892 -0.572 1.946 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.491 -0.109 2.574 1.00 6.41 H new ATOM 699 N ILE A 44 -1.011 2.759 4.998 1.00 4.58 N ATOM 700 CA ILE A 44 -0.302 3.136 6.215 1.00 5.55 C ATOM 701 C ILE A 44 0.983 2.290 6.289 1.00 5.46 C ATOM 702 O ILE A 44 0.961 1.068 6.157 1.00 6.04 O ATOM 703 CB ILE A 44 -1.181 2.959 7.472 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.513 3.822 7.391 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.439 3.440 8.719 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.376 3.673 8.621 1.00 13.90 C ATOM 0 H ILE A 44 -1.230 1.763 4.997 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.048 4.195 6.183 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.418 1.896 7.526 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.254 4.872 7.258 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.084 3.521 6.512 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.075 3.307 9.594 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.476 2.861 8.844 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.189 4.495 8.609 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.272 4.284 8.513 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.661 2.628 8.741 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.818 4.000 9.499 1.00 13.90 H new ATOM 718 N PHE A 45 2.116 2.917 6.577 1.00 6.75 N ATOM 719 CA PHE A 45 3.329 2.233 7.087 1.00 4.70 C ATOM 720 C PHE A 45 3.649 2.924 8.448 1.00 6.34 C ATOM 721 O PHE A 45 3.951 4.123 8.383 1.00 5.45 O ATOM 722 CB PHE A 45 4.567 2.350 6.125 1.00 5.51 C ATOM 723 CG PHE A 45 5.733 1.467 6.634 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.611 0.073 6.895 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.009 2.076 6.890 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.750 -0.630 7.413 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.125 1.332 7.197 1.00 6.64 C ATOM 728 CZ PHE A 45 8.029 -0.011 7.551 1.00 6.84 C ATOM 0 H PHE A 45 2.235 3.924 6.467 1.00 6.75 H new ATOM 0 HA PHE A 45 3.138 1.164 7.178 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.283 2.043 5.118 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.890 3.389 6.063 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.682 -0.444 6.707 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.095 3.151 6.840 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.636 -1.662 7.708 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.097 1.800 7.163 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.885 -0.561 7.914 1.00 6.84 H new ATOM 738 N ALA A 46 3.591 2.137 9.543 1.00 6.53 N ATOM 739 CA ALA A 46 4.008 2.599 10.891 1.00 7.15 C ATOM 740 C ALA A 46 3.549 3.912 11.490 1.00 9.00 C ATOM 741 O ALA A 46 4.367 4.643 12.045 1.00 11.15 O ATOM 742 CB ALA A 46 5.549 2.623 10.952 1.00 8.99 C ATOM 0 H ALA A 46 3.258 1.173 9.523 1.00 6.53 H new ATOM 0 HA ALA A 46 3.476 1.866 11.497 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.869 2.961 11.938 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.936 1.621 10.769 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.933 3.304 10.193 1.00 8.99 H new ATOM 748 N GLY A 47 2.299 4.299 11.317 1.00 9.35 N ATOM 749 CA GLY A 47 1.720 5.504 11.874 1.00 11.68 C ATOM 750 C GLY A 47 1.787 6.661 10.942 1.00 11.14 C ATOM 751 O GLY A 47 1.139 7.694 11.118 1.00 13.93 O ATOM 0 H GLY A 47 1.634 3.760 10.762 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.679 5.314 12.135 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.240 5.757 12.798 1.00 11.68 H new ATOM 755 N LYS A 48 2.578 6.551 9.798 1.00 10.47 N ATOM 756 CA LYS A 48 2.731 7.452 8.731 1.00 8.82 C ATOM 757 C LYS A 48 1.779 7.186 7.606 1.00 7.68 C ATOM 758 O LYS A 48 1.860 6.115 6.982 1.00 6.47 O ATOM 759 CB LYS A 48 4.245 7.508 8.184 1.00 9.74 C ATOM 760 CG LYS A 48 5.264 7.926 9.254 1.00 14.14 C ATOM 761 CD LYS A 48 6.507 8.395 8.554 1.00 16.32 C ATOM 762 CE LYS A 48 7.687 8.768 9.547 1.00 20.04 C ATOM 763 NZ LYS A 48 7.555 10.155 10.158 1.00 23.92 N ATOM 0 H LYS A 48 3.153 5.721 9.654 1.00 10.47 H new ATOM 0 HA LYS A 48 2.487 8.431 9.144 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.519 6.528 7.795 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.297 8.208 7.350 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.856 8.720 9.879 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.491 7.087 9.912 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.848 7.615 7.873 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.265 9.266 7.945 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.723 8.030 10.348 1.00 20.04 H new ATOM 0 HE3 LYS A 48 8.634 8.705 9.012 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.358 10.332 10.795 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.550 10.869 9.401 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.667 10.214 10.696 1.00 23.92 H new ATOM 777 N GLN A 49 0.773 8.074 7.353 1.00 8.89 N ATOM 778 CA GLN A 49 -0.145 7.921 6.210 1.00 7.18 C ATOM 779 C GLN A 49 0.539 8.153 4.849 1.00 8.23 C ATOM 780 O GLN A 49 1.186 9.171 4.611 1.00 9.70 O ATOM 781 CB GLN A 49 -1.402 8.796 6.293 1.00 11.67 C ATOM 782 CG GLN A 49 -2.468 8.368 7.303 1.00 15.82 C ATOM 783 CD GLN A 49 -3.451 9.475 7.580 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.370 10.621 7.136 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.462 9.174 8.442 1.00 20.67 N ATOM 0 H GLN A 49 0.587 8.895 7.929 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.457 6.879 6.278 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.094 9.813 6.533 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.861 8.827 5.305 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.000 7.496 6.923 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.987 8.067 8.234 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.546 8.230 8.820 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.135 9.892 8.709 1.00 20.67 H new ATOM 794 N LEU A 50 0.416 7.154 3.980 1.00 6.51 N ATOM 795 CA LEU A 50 1.219 7.136 2.777 1.00 7.41 C ATOM 796 C LEU A 50 0.475 7.927 1.726 1.00 8.27 C ATOM 797 O LEU A 50 -0.754 8.079 1.791 1.00 8.34 O ATOM 798 CB LEU A 50 1.606 5.695 2.337 1.00 7.13 C ATOM 799 CG LEU A 50 2.187 4.860 3.475 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.711 3.492 2.950 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.281 5.578 4.285 1.00 9.11 C ATOM 0 H LEU A 50 -0.220 6.364 4.088 1.00 6.51 H new ATOM 0 HA LEU A 50 2.185 7.608 2.954 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.724 5.193 1.939 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.333 5.751 1.527 1.00 7.13 H new ATOM 0 HG LEU A 50 1.360 4.693 4.165 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.120 2.916 3.780 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.890 2.939 2.494 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.491 3.662 2.207 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.642 4.918 5.074 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.108 5.841 3.626 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.869 6.484 4.730 1.00 9.11 H new ATOM 813 N GLU A 51 1.176 8.452 0.718 1.00 9.43 N ATOM 814 CA GLU A 51 0.676 9.264 -0.358 1.00 11.90 C ATOM 815 C GLU A 51 1.054 8.566 -1.697 1.00 11.49 C ATOM 816 O GLU A 51 2.146 8.026 -1.891 1.00 9.88 O ATOM 817 CB GLU A 51 1.101 10.739 -0.282 1.00 16.56 C ATOM 818 CG GLU A 51 2.446 11.133 -0.821 1.00 26.06 C ATOM 819 CD GLU A 51 2.919 12.473 -0.428 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.138 12.780 0.824 1.00 33.44 O ATOM 821 OE2 GLU A 51 3.123 13.293 -1.330 1.00 32.13 O ATOM 0 H GLU A 51 2.182 8.300 0.641 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.409 9.331 -0.280 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.349 11.327 -0.809 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.064 11.040 0.765 1.00 16.56 H new ATOM 0 HG2 GLU A 51 3.180 10.397 -0.492 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.411 11.084 -1.909 1.00 26.06 H new ATOM 828 N ASP A 52 0.087 8.568 -2.659 1.00 12.71 N ATOM 829 CA ASP A 52 0.239 7.782 -3.884 1.00 16.56 C ATOM 830 C ASP A 52 1.514 7.986 -4.764 1.00 15.83 C ATOM 831 O ASP A 52 2.027 7.035 -5.307 1.00 17.21 O ATOM 832 CB ASP A 52 -0.933 8.255 -4.757 1.00 21.05 C ATOM 833 CG ASP A 52 -2.299 7.819 -4.195 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.506 6.596 -3.933 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.183 8.725 -4.053 1.00 25.82 O ATOM 0 H ASP A 52 -0.782 9.098 -2.598 1.00 12.71 H new ATOM 0 HA ASP A 52 0.293 6.740 -3.569 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.907 9.342 -4.837 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.815 7.858 -5.765 1.00 21.05 H new ATOM 840 N GLY A 53 2.037 9.170 -4.919 1.00 15.00 N ATOM 841 CA GLY A 53 3.134 9.402 -5.846 1.00 11.77 C ATOM 842 C GLY A 53 4.476 9.424 -5.178 1.00 11.10 C ATOM 843 O GLY A 53 5.513 9.643 -5.807 1.00 11.25 O ATOM 0 H GLY A 53 1.726 10.001 -4.416 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.128 8.623 -6.609 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.974 10.351 -6.358 1.00 11.77 H new ATOM 847 N ARG A 54 4.592 9.159 -3.880 1.00 8.53 N ATOM 848 CA ARG A 54 5.844 9.001 -3.146 1.00 9.05 C ATOM 849 C ARG A 54 6.266 7.528 -3.310 1.00 8.96 C ATOM 850 O ARG A 54 5.467 6.595 -3.593 1.00 11.60 O ATOM 851 CB ARG A 54 5.494 9.432 -1.642 1.00 7.97 C ATOM 852 CG ARG A 54 6.619 9.589 -0.610 1.00 9.62 C ATOM 853 CD ARG A 54 7.447 10.851 -0.851 1.00 12.20 C ATOM 854 NE ARG A 54 6.499 12.024 -0.472 1.00 18.23 N ATOM 855 CZ ARG A 54 6.697 13.328 -0.769 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.880 13.843 -0.997 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.627 14.095 -0.746 1.00 23.38 N ATOM 0 H ARG A 54 3.774 9.043 -3.281 1.00 8.53 H new ATOM 0 HA ARG A 54 6.683 9.606 -3.490 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.964 10.383 -1.692 1.00 7.97 H new ATOM 0 HB3 ARG A 54 4.793 8.696 -1.248 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.190 9.623 0.391 1.00 9.62 H new ATOM 0 HG3 ARG A 54 7.270 8.716 -0.648 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.348 10.856 -0.238 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.768 10.921 -1.890 1.00 12.20 H new ATOM 0 HE ARG A 54 5.653 11.789 0.047 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.710 13.252 -0.955 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.971 14.835 -1.217 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.718 13.695 -0.514 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.707 15.089 -0.961 1.00 23.38 H new ATOM 871 N THR A 55 7.558 7.168 -3.125 1.00 9.05 N ATOM 872 CA THR A 55 8.071 5.784 -3.222 1.00 9.03 C ATOM 873 C THR A 55 8.133 5.089 -1.899 1.00 8.15 C ATOM 874 O THR A 55 8.021 5.663 -0.831 1.00 5.91 O ATOM 875 CB THR A 55 9.408 5.668 -4.040 1.00 11.15 C ATOM 876 OG1 THR A 55 10.594 6.136 -3.390 1.00 11.95 O ATOM 877 CG2 THR A 55 9.338 6.495 -5.333 1.00 11.71 C ATOM 0 H THR A 55 8.286 7.846 -2.900 1.00 9.05 H new ATOM 0 HA THR A 55 7.328 5.243 -3.808 1.00 9.03 H new ATOM 0 HB THR A 55 9.485 4.592 -4.193 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.610 7.116 -3.404 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.276 6.397 -5.879 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.518 6.133 -5.953 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.170 7.543 -5.086 1.00 11.71 H new ATOM 885 N LEU A 56 8.348 3.777 -2.007 1.00 6.91 N ATOM 886 CA LEU A 56 8.638 2.862 -0.893 1.00 8.29 C ATOM 887 C LEU A 56 9.889 3.229 -0.047 1.00 8.05 C ATOM 888 O LEU A 56 9.893 3.316 1.127 1.00 10.17 O ATOM 889 CB LEU A 56 8.571 1.348 -1.282 1.00 6.60 C ATOM 890 CG LEU A 56 7.253 0.827 -1.801 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.263 -0.521 -2.626 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.154 0.743 -0.714 1.00 8.64 C ATOM 0 H LEU A 56 8.325 3.300 -2.908 1.00 6.91 H new ATOM 0 HA LEU A 56 7.803 3.023 -0.211 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.331 1.160 -2.041 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.844 0.761 -0.405 1.00 6.60 H new ATOM 0 HG LEU A 56 7.018 1.605 -2.527 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.246 -0.768 -2.931 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.889 -0.402 -3.510 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.661 -1.324 -2.006 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.234 0.361 -1.156 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.480 0.073 0.082 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.974 1.736 -0.302 1.00 8.64 H new ATOM 904 N SER A 57 10.969 3.528 -0.761 1.00 8.92 N ATOM 905 CA SER A 57 12.235 4.019 -0.313 1.00 9.00 C ATOM 906 C SER A 57 12.128 5.290 0.408 1.00 9.44 C ATOM 907 O SER A 57 12.761 5.348 1.466 1.00 10.91 O ATOM 908 CB SER A 57 13.376 4.109 -1.384 1.00 10.32 C ATOM 909 OG SER A 57 13.374 5.279 -2.284 1.00 13.59 O ATOM 0 H SER A 57 10.961 3.414 -1.775 1.00 8.92 H new ATOM 0 HA SER A 57 12.548 3.230 0.371 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.332 4.089 -0.860 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.331 3.211 -2.000 1.00 10.32 H new ATOM 0 HG SER A 57 12.460 5.455 -2.589 1.00 13.59 H new ATOM 915 N ASP A 58 11.302 6.237 -0.013 1.00 9.11 N ATOM 916 CA ASP A 58 11.004 7.478 0.671 1.00 7.91 C ATOM 917 C ASP A 58 10.404 7.335 2.040 1.00 9.12 C ATOM 918 O ASP A 58 10.584 8.187 2.928 1.00 8.61 O ATOM 919 CB ASP A 58 9.997 8.325 -0.202 1.00 8.41 C ATOM 920 CG ASP A 58 10.689 8.802 -1.446 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.793 9.385 -1.336 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.175 8.506 -2.548 1.00 11.70 O ATOM 0 H ASP A 58 10.794 6.150 -0.893 1.00 9.11 H new ATOM 0 HA ASP A 58 11.972 7.962 0.803 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.130 7.720 -0.465 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.629 9.176 0.371 1.00 8.41 H new ATOM 927 N TYR A 59 9.625 6.284 2.329 1.00 7.97 N ATOM 928 CA TYR A 59 9.027 6.059 3.637 1.00 8.45 C ATOM 929 C TYR A 59 9.820 5.035 4.436 1.00 10.98 C ATOM 930 O TYR A 59 9.312 4.609 5.473 1.00 12.95 O ATOM 931 CB TYR A 59 7.539 5.397 3.633 1.00 7.94 C ATOM 932 CG TYR A 59 6.528 6.375 3.119 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.254 7.538 3.841 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.967 6.224 1.864 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.292 8.505 3.365 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.063 7.159 1.312 1.00 6.52 C ATOM 937 CZ TYR A 59 4.690 8.266 2.061 1.00 6.76 C ATOM 938 OH TYR A 59 3.767 9.200 1.529 1.00 7.63 O ATOM 0 H TYR A 59 9.394 5.561 1.647 1.00 7.97 H new ATOM 0 HA TYR A 59 9.007 7.069 4.047 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.535 4.502 3.012 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.271 5.086 4.643 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.771 7.718 4.772 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.231 5.354 1.281 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.030 9.372 3.954 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.667 7.014 0.318 1.00 6.52 H new ATOM 0 HH TYR A 59 4.203 10.073 1.435 1.00 7.63 H new ATOM 948 N ASN A 60 11.086 4.680 4.068 1.00 12.38 N ATOM 949 CA ASN A 60 11.937 3.770 4.822 1.00 13.94 C ATOM 950 C ASN A 60 11.318 2.389 4.947 1.00 14.16 C ATOM 951 O ASN A 60 11.310 1.724 5.953 1.00 14.26 O ATOM 952 CB ASN A 60 12.610 4.288 6.057 1.00 19.23 C ATOM 953 CG ASN A 60 13.497 5.503 5.789 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.276 6.231 4.828 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.446 5.817 6.702 1.00 24.09 N ATOM 0 H ASN A 60 11.531 5.036 3.222 1.00 12.38 H new ATOM 0 HA ASN A 60 12.820 3.671 4.190 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.851 4.554 6.793 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.214 3.494 6.495 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.992 6.672 6.597 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.615 5.198 7.495 1.00 24.09 H new ATOM 962 N ILE A 61 10.776 1.927 3.833 1.00 11.08 N ATOM 963 CA ILE A 61 10.095 0.592 3.785 1.00 11.78 C ATOM 964 C ILE A 61 11.153 -0.390 3.380 1.00 13.74 C ATOM 965 O ILE A 61 12.057 -0.045 2.645 1.00 14.60 O ATOM 966 CB ILE A 61 8.855 0.614 2.892 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.712 1.317 3.636 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.425 -0.771 2.442 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.486 1.631 2.787 1.00 11.42 C ATOM 0 H ILE A 61 10.780 2.430 2.946 1.00 11.08 H new ATOM 0 HA ILE A 61 9.685 0.299 4.752 1.00 11.78 H new ATOM 0 HB ILE A 61 9.109 1.163 1.986 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.404 0.690 4.473 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.091 2.248 4.057 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.540 -0.690 1.811 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.232 -1.237 1.877 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.194 -1.382 3.315 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.735 2.127 3.402 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.771 2.286 1.964 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.074 0.705 2.387 1.00 11.42 H new ATOM 981 N GLN A 62 11.064 -1.668 3.766 1.00 13.97 N ATOM 982 CA GLN A 62 12.113 -2.593 3.400 1.00 15.52 C ATOM 983 C GLN A 62 11.448 -3.909 3.070 1.00 13.94 C ATOM 984 O GLN A 62 10.221 -4.040 3.143 1.00 12.15 O ATOM 985 CB GLN A 62 13.108 -2.824 4.532 1.00 19.53 C ATOM 986 CG GLN A 62 12.622 -3.371 5.923 1.00 26.38 C ATOM 987 CD GLN A 62 13.781 -3.649 6.882 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.669 -4.475 6.596 1.00 33.23 O ATOM 989 NE2 GLN A 62 13.844 -2.951 8.019 1.00 32.71 N ATOM 0 H GLN A 62 10.300 -2.064 4.313 1.00 13.97 H new ATOM 0 HA GLN A 62 12.669 -2.179 2.559 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.863 -3.517 4.160 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.610 -1.875 4.717 1.00 19.53 H new ATOM 0 HG2 GLN A 62 11.945 -2.648 6.377 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.053 -4.288 5.770 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.113 -2.277 8.245 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.624 -3.092 8.661 1.00 32.71 H new ATOM 998 N LYS A 63 12.281 -4.924 2.780 1.00 11.73 N ATOM 999 CA LYS A 63 11.934 -6.299 2.579 1.00 11.97 C ATOM 1000 C LYS A 63 11.212 -6.886 3.786 1.00 10.41 C ATOM 1001 O LYS A 63 11.679 -6.758 4.906 1.00 9.59 O ATOM 1002 CB LYS A 63 13.128 -7.212 2.189 1.00 13.73 C ATOM 1003 CG LYS A 63 14.370 -7.268 3.160 1.00 16.98 C ATOM 1004 CD LYS A 63 15.594 -8.108 2.804 1.00 20.19 C ATOM 1005 CE LYS A 63 16.141 -7.836 1.403 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.144 -8.816 1.097 1.00 25.97 N ATOM 0 H LYS A 63 13.284 -4.769 2.677 1.00 11.73 H new ATOM 0 HA LYS A 63 11.259 -6.283 1.723 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.748 -8.227 2.075 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.485 -6.894 1.210 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.713 -6.243 3.303 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.008 -7.620 4.126 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.380 -7.916 3.535 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.335 -9.164 2.884 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.336 -7.879 0.669 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.566 -6.833 1.352 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.523 -8.639 0.145 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.914 -8.754 1.793 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.723 -9.766 1.131 1.00 25.97 H new ATOM 1020 N GLU A 64 9.982 -7.439 3.426 1.00 10.04 N ATOM 1021 CA GLU A 64 9.145 -8.211 4.289 1.00 10.94 C ATOM 1022 C GLU A 64 8.611 -7.258 5.347 1.00 9.74 C ATOM 1023 O GLU A 64 8.186 -7.725 6.415 1.00 9.42 O ATOM 1024 CB GLU A 64 9.730 -9.482 4.802 1.00 18.31 C ATOM 1025 CG GLU A 64 10.114 -10.502 3.684 1.00 24.16 C ATOM 1026 CD GLU A 64 10.856 -11.718 4.144 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.801 -12.102 5.323 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.556 -12.330 3.316 1.00 32.61 O ATOM 0 H GLU A 64 9.587 -7.324 2.492 1.00 10.04 H new ATOM 0 HA GLU A 64 8.317 -8.626 3.714 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.619 -9.250 5.389 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.016 -9.952 5.478 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.202 -10.824 3.182 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.722 -9.987 2.941 1.00 24.16 H new ATOM 1035 N SER A 65 8.579 -5.946 5.079 1.00 6.85 N ATOM 1036 CA SER A 65 7.772 -5.005 5.784 1.00 6.90 C ATOM 1037 C SER A 65 6.305 -5.262 5.641 1.00 4.72 C ATOM 1038 O SER A 65 5.868 -5.629 4.590 1.00 3.91 O ATOM 1039 CB SER A 65 7.966 -3.547 5.423 1.00 7.28 C ATOM 1040 OG SER A 65 9.147 -2.879 5.891 1.00 10.56 O ATOM 0 H SER A 65 9.139 -5.521 4.340 1.00 6.85 H new ATOM 0 HA SER A 65 8.124 -5.166 6.803 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.949 -3.469 4.336 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.103 -2.995 5.795 1.00 7.28 H new ATOM 0 HG SER A 65 8.892 -2.070 6.383 1.00 10.56 H new ATOM 1046 N THR A 66 5.555 -5.043 6.761 1.00 4.48 N ATOM 1047 CA THR A 66 4.122 -5.127 6.785 1.00 3.80 C ATOM 1048 C THR A 66 3.499 -3.804 6.698 1.00 4.60 C ATOM 1049 O THR A 66 3.623 -2.950 7.585 1.00 5.33 O ATOM 1050 CB THR A 66 3.617 -5.754 8.012 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.135 -7.076 8.119 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.069 -6.028 7.918 1.00 3.40 C ATOM 0 H THR A 66 5.964 -4.803 7.664 1.00 4.48 H new ATOM 0 HA THR A 66 3.861 -5.736 5.919 1.00 3.80 H new ATOM 0 HB THR A 66 3.890 -5.084 8.827 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.799 -7.494 8.939 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.725 -6.493 8.842 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.541 -5.086 7.767 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.868 -6.695 7.080 1.00 3.40 H new ATOM 1060 N LEU A 67 2.734 -3.610 5.577 1.00 4.17 N ATOM 1061 CA LEU A 67 1.912 -2.419 5.309 1.00 3.85 C ATOM 1062 C LEU A 67 0.593 -2.592 5.970 1.00 3.80 C ATOM 1063 O LEU A 67 0.108 -3.688 6.051 1.00 5.54 O ATOM 1064 CB LEU A 67 1.750 -2.027 3.844 1.00 7.18 C ATOM 1065 CG LEU A 67 2.914 -1.261 3.169 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.236 -2.043 3.139 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.637 -0.757 1.743 1.00 11.66 C ATOM 0 H LEU A 67 2.682 -4.302 4.829 1.00 4.17 H new ATOM 0 HA LEU A 67 2.461 -1.576 5.729 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.571 -2.937 3.271 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.852 -1.415 3.758 1.00 7.18 H new ATOM 0 HG LEU A 67 3.006 -0.395 3.824 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.003 -1.442 2.651 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.547 -2.271 4.158 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.097 -2.972 2.586 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.516 -0.235 1.364 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.411 -1.604 1.095 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.788 -0.074 1.757 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.074 -1.494 6.345 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.467 -1.524 6.839 1.00 4.17 C ATOM 1081 C HIS A 68 -2.374 -0.772 5.873 1.00 5.32 C ATOM 1082 O HIS A 68 -1.878 0.137 5.242 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.547 -1.029 8.224 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.032 -2.050 9.257 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.360 -3.279 9.049 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.037 -1.883 10.631 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.008 -3.739 10.272 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.390 -2.959 11.228 1.00 16.30 N ATOM 0 H HIS A 68 0.331 -0.558 6.317 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.822 -2.554 6.873 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.968 -0.110 8.310 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.582 -0.777 8.455 1.00 5.57 H new ATOM 0 HD1 HIS A 68 -0.177 -3.730 8.152 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.475 -1.048 11.157 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.534 -4.659 10.432 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.547 -1.330 5.697 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.436 -0.862 4.695 1.00 3.97 C ATOM 1098 C LEU A 69 -5.725 -0.391 5.393 1.00 5.07 C ATOM 1099 O LEU A 69 -6.255 -1.137 6.206 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.714 -1.966 3.711 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.753 -1.717 2.585 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.298 -0.618 1.616 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.874 -2.958 1.693 1.00 9.96 C ATOM 0 H LEU A 69 -3.898 -2.114 6.246 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.002 -0.030 4.140 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.769 -2.231 3.236 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.042 -2.838 4.277 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.679 -1.452 3.095 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.055 -0.477 0.844 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.159 0.315 2.163 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.356 -0.910 1.151 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.606 -2.771 0.907 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.906 -3.178 1.243 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.196 -3.808 2.294 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.197 0.828 5.171 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.521 1.248 5.604 1.00 6.26 C ATOM 1117 C VAL A 70 -8.234 1.858 4.459 1.00 9.22 C ATOM 1118 O VAL A 70 -7.730 1.999 3.378 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.532 2.171 6.844 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.953 1.346 8.009 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.736 3.454 6.607 1.00 8.54 C ATOM 0 H VAL A 70 -5.671 1.554 4.685 1.00 4.29 H new ATOM 0 HA VAL A 70 -8.045 0.352 5.938 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.546 2.500 7.070 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.938 1.954 8.913 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.573 0.465 8.174 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.937 1.034 7.765 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.770 4.074 7.503 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.700 3.203 6.378 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.170 4.002 5.770 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.476 2.271 4.575 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.170 2.883 3.469 1.00 16.06 C ATOM 1133 C LEU A 71 -10.286 4.390 3.643 1.00 18.09 C ATOM 1134 O LEU A 71 -10.329 4.884 4.765 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.582 2.212 3.124 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.573 0.671 3.062 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.989 0.284 2.631 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.519 0.157 2.070 1.00 19.57 C ATOM 0 H LEU A 71 -10.027 2.193 5.430 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.545 2.690 2.597 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.309 2.526 3.873 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.926 2.597 2.164 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.308 0.226 4.021 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.065 -0.801 2.563 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.706 0.653 3.364 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.206 0.724 1.658 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.539 -0.933 2.050 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.738 0.542 1.074 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.531 0.496 2.381 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.384 5.154 2.548 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.381 6.625 2.614 1.00 25.83 C ATOM 1152 C ARG A 72 -11.741 7.137 2.193 1.00 27.74 C ATOM 1153 O ARG A 72 -12.161 6.859 1.098 1.00 30.65 O ATOM 1154 CB ARG A 72 -9.317 7.178 1.622 1.00 28.49 C ATOM 1155 CG ARG A 72 -9.019 8.677 1.917 1.00 31.79 C ATOM 1156 CD ARG A 72 -7.783 9.170 1.160 1.00 34.05 C ATOM 1157 NE ARG A 72 -7.403 10.594 1.549 1.00 35.08 N ATOM 1158 CZ ARG A 72 -6.321 11.283 1.047 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -5.581 10.806 0.083 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -6.017 12.412 1.627 1.00 35.02 N ATOM 0 H ARG A 72 -10.467 4.779 1.603 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.151 6.948 3.629 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -8.399 6.596 1.704 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -9.674 7.067 0.598 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -9.882 9.281 1.637 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -8.868 8.814 2.988 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -6.945 8.503 1.362 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -7.974 9.126 0.088 1.00 34.05 H new ATOM 0 HE ARG A 72 -7.993 11.071 2.231 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -5.797 9.895 -0.323 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -4.787 11.344 -0.264 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -6.572 12.746 2.415 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -5.224 12.960 1.293 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.403 7.879 3.117 1.00 28.93 N ATOM 1175 CA LEU A 73 -13.549 8.621 2.694 1.00 30.76 C ATOM 1176 C LEU A 73 -13.300 10.103 2.554 1.00 32.18 C ATOM 1177 O LEU A 73 -12.168 10.445 2.332 1.00 32.31 O ATOM 1178 CB LEU A 73 -14.779 8.379 3.674 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.083 6.915 3.914 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.192 6.664 4.915 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.461 6.260 2.565 1.00 29.11 C ATOM 0 H LEU A 73 -12.157 7.960 4.103 1.00 28.93 H new ATOM 0 HA LEU A 73 -13.784 8.244 1.699 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.571 8.860 4.630 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.664 8.862 3.259 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.182 6.477 4.344 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.345 5.591 5.027 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.917 7.094 5.878 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.113 7.126 4.561 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.683 5.204 2.723 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.339 6.757 2.152 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.628 6.356 1.868 1.00 29.11 H new ATOM 1193 N ARG A 74 -14.320 11.024 2.495 1.00 33.82 N ATOM 1194 CA ARG A 74 -14.162 12.482 2.350 1.00 35.33 C ATOM 1195 C ARG A 74 -13.098 13.113 3.206 1.00 36.22 C ATOM 1196 O ARG A 74 -12.022 13.449 2.690 1.00 36.70 O ATOM 1197 CB ARG A 74 -15.518 13.230 2.666 1.00 36.91 C ATOM 1198 CG ARG A 74 -15.583 14.684 2.219 1.00 38.62 C ATOM 1199 CD ARG A 74 -15.116 15.050 0.865 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.883 14.298 -0.128 1.00 41.13 N ATOM 1201 CZ ARG A 74 -15.748 14.281 -1.479 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -14.784 14.978 -1.991 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.510 13.581 -2.261 1.00 41.93 N ATOM 0 H ARG A 74 -15.299 10.744 2.550 1.00 33.82 H new ATOM 0 HA ARG A 74 -13.853 12.598 1.311 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.333 12.685 2.190 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -15.693 13.190 3.741 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.621 15.006 2.305 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -15.007 15.272 2.933 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -15.239 16.121 0.702 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -14.053 14.832 0.763 1.00 39.75 H new ATOM 0 HE ARG A 74 -16.622 13.704 0.247 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -14.162 15.512 -1.384 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -14.647 14.993 -3.002 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.255 13.006 -1.867 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.364 13.605 -3.270 1.00 41.93 H new ATOM 1217 N GLY A 75 -13.281 13.138 4.503 1.00 36.31 N ATOM 1218 CA GLY A 75 -12.256 13.552 5.423 1.00 36.07 C ATOM 1219 C GLY A 75 -11.210 12.503 5.642 1.00 36.16 C ATOM 1220 O GLY A 75 -10.090 12.805 6.008 1.00 36.26 O ATOM 0 H GLY A 75 -14.156 12.868 4.952 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -11.781 14.458 5.046 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -12.714 13.806 6.379 1.00 36.07 H new ATOM 1224 N GLY A 76 -11.431 11.164 5.511 1.00 36.05 N ATOM 1225 CA GLY A 76 -10.403 10.169 5.796 1.00 36.19 C ATOM 1226 C GLY A 76 -11.096 9.025 6.484 1.00 36.20 C ATOM 1227 O GLY A 76 -11.364 7.951 5.863 1.00 0.00 O ATOM 1228 OXT GLY A 76 -11.329 9.071 7.714 1.00 0.00 O ATOM 0 H GLY A 76 -12.320 10.767 5.208 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -9.921 9.835 4.877 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -9.623 10.588 6.431 1.00 36.19 H new TER 1232 GLY A 76