USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 627 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 51 TYR OH : rot 180:sc= 0.459 USER MOD Set 1.2: A 70 LYS NZ :NH3+ -157:sc= 0.675 (180deg=0) USER MOD Set 1.3: A 71 ASN : amide:sc= 1.1 K(o=2.2,f=-2.3) USER MOD Set 2.1: A 57 ASN : amide:sc= 0.573 X(o=1.1,f=1.1) USER MOD Set 2.2: A 60 THR OG1 : rot 180:sc= 0.516 USER MOD Set 3.1: A 5 GLN : amide:sc= 0.567 K(o=2.4,f=-1.8) USER MOD Set 3.2: A 7 THR OG1 : rot 180:sc= 0.592 USER MOD Set 3.3: A 17 LYS NZ :NH3+ -144:sc= 1.28 (180deg=0) USER MOD Set 4.1: A 9 LYS NZ :NH3+ -179:sc= 0.675 (180deg=-0.0537) USER MOD Set 4.2: A 15 THR OG1 : rot 139:sc= 0.643 USER MOD Single : A 3 HIS : no HE2:sc= 1.18 K(o=1.2,f=-3.5!) USER MOD Single : A 4 MET CE :methyl -171:sc= 0 (180deg=-0.0612) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.181 USER MOD Single : A 12 GLN : amide:sc= 0.31 X(o=0.31,f=-0.11) USER MOD Single : A 13 GLN : amide:sc= 0.733 K(o=0.73,f=0) USER MOD Single : A 14 GLN : amide:sc= 0.716 K(o=0.72,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 2.36 (180deg=2.34) USER MOD Single : A 30 LYS NZ :NH3+ 171:sc= 1.36 (180deg=1.28) USER MOD Single : A 32 LYS NZ :NH3+ 156:sc= 1.6 (180deg=1.27) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 163:sc= 1.46 (180deg=1.21) USER MOD Single : A 39 LYS NZ :NH3+ 178:sc= 1.22 (180deg=1.19) USER MOD Single : A 47 GLN : amide:sc= -0.515 X(o=-0.52,f=-0.92) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -166:sc= 1.07 (180deg=0.932) USER MOD Single : A 63 LYS NZ :NH3+ -174:sc= 1.18 (180deg=1.13) USER MOD Single : A 65 TYR OH : rot 156:sc= -0.394 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 21 N HIS A 3 -7.823 -13.311 -2.246 1.00 10.00 N ATOM 22 CA HIS A 3 -7.301 -12.010 -2.695 1.00 10.00 C ATOM 23 C HIS A 3 -8.362 -10.954 -3.063 1.00 10.00 C ATOM 24 O HIS A 3 -9.413 -11.256 -3.635 1.00 10.00 O ATOM 25 CB HIS A 3 -6.338 -12.220 -3.881 1.00 10.00 C ATOM 26 CG HIS A 3 -4.923 -12.603 -3.515 1.00 10.00 C ATOM 27 ND1 HIS A 3 -3.798 -12.217 -4.207 1.00 10.00 N ATOM 28 CD2 HIS A 3 -4.497 -13.375 -2.466 1.00 10.00 C ATOM 29 CE1 HIS A 3 -2.723 -12.736 -3.596 1.00 10.00 C ATOM 30 NE2 HIS A 3 -3.099 -13.451 -2.520 1.00 10.00 N ATOM 0 HA HIS A 3 -6.785 -11.597 -1.828 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -6.750 -12.996 -4.527 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -6.306 -11.301 -4.467 1.00 10.00 H new ATOM 0 HD1 HIS A 3 -3.784 -11.634 -5.044 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -5.129 -13.843 -1.726 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -1.702 -12.600 -3.921 1.00 10.00 H new ATOM 38 N MET A 4 -8.007 -9.689 -2.814 1.00 10.00 N ATOM 39 CA MET A 4 -8.714 -8.484 -3.264 1.00 10.00 C ATOM 40 C MET A 4 -7.716 -7.495 -3.881 1.00 10.00 C ATOM 41 O MET A 4 -6.530 -7.526 -3.542 1.00 10.00 O ATOM 42 CB MET A 4 -9.482 -7.842 -2.093 1.00 10.00 C ATOM 43 CG MET A 4 -8.575 -7.160 -1.057 1.00 10.00 C ATOM 44 SD MET A 4 -9.469 -6.367 0.308 1.00 10.00 S ATOM 45 CE MET A 4 -8.071 -5.553 1.124 1.00 10.00 C ATOM 0 H MET A 4 -7.177 -9.466 -2.265 1.00 10.00 H new ATOM 0 HA MET A 4 -9.442 -8.760 -4.027 1.00 10.00 H new ATOM 0 HB2 MET A 4 -10.182 -7.107 -2.489 1.00 10.00 H new ATOM 0 HB3 MET A 4 -10.074 -8.610 -1.595 1.00 10.00 H new ATOM 0 HG2 MET A 4 -7.891 -7.902 -0.646 1.00 10.00 H new ATOM 0 HG3 MET A 4 -7.966 -6.410 -1.562 1.00 10.00 H new ATOM 0 HE1 MET A 4 -8.396 -5.143 2.080 1.00 10.00 H new ATOM 0 HE2 MET A 4 -7.275 -6.279 1.292 1.00 10.00 H new ATOM 0 HE3 MET A 4 -7.699 -4.747 0.491 1.00 10.00 H new ATOM 55 N GLN A 5 -8.185 -6.594 -4.744 1.00 10.00 N ATOM 56 CA GLN A 5 -7.339 -5.572 -5.375 1.00 10.00 C ATOM 57 C GLN A 5 -7.453 -4.198 -4.696 1.00 10.00 C ATOM 58 O GLN A 5 -8.504 -3.854 -4.149 1.00 10.00 O ATOM 59 CB GLN A 5 -7.584 -5.488 -6.891 1.00 10.00 C ATOM 60 CG GLN A 5 -9.048 -5.221 -7.258 1.00 10.00 C ATOM 61 CD GLN A 5 -9.209 -4.761 -8.701 1.00 10.00 C ATOM 62 OE1 GLN A 5 -9.286 -3.574 -8.994 1.00 10.00 O ATOM 63 NE2 GLN A 5 -9.259 -5.662 -9.660 1.00 10.00 N ATOM 0 H GLN A 5 -9.164 -6.549 -5.028 1.00 10.00 H new ATOM 0 HA GLN A 5 -6.308 -5.894 -5.229 1.00 10.00 H new ATOM 0 HB2 GLN A 5 -6.962 -4.696 -7.308 1.00 10.00 H new ATOM 0 HB3 GLN A 5 -7.265 -6.421 -7.355 1.00 10.00 H new ATOM 0 HG2 GLN A 5 -9.631 -6.129 -7.102 1.00 10.00 H new ATOM 0 HG3 GLN A 5 -9.455 -4.462 -6.590 1.00 10.00 H new ATOM 0 HE21 GLN A 5 -9.196 -6.654 -9.431 1.00 10.00 H new ATOM 0 HE22 GLN A 5 -9.361 -5.368 -10.631 1.00 10.00 H new ATOM 72 N VAL A 6 -6.381 -3.401 -4.739 1.00 10.00 N ATOM 73 CA VAL A 6 -6.344 -2.037 -4.175 1.00 10.00 C ATOM 74 C VAL A 6 -5.696 -1.072 -5.178 1.00 10.00 C ATOM 75 O VAL A 6 -4.793 -1.452 -5.922 1.00 10.00 O ATOM 76 CB VAL A 6 -5.610 -2.023 -2.810 1.00 10.00 C ATOM 77 CG1 VAL A 6 -5.704 -0.652 -2.130 1.00 10.00 C ATOM 78 CG2 VAL A 6 -6.194 -3.034 -1.806 1.00 10.00 C ATOM 0 H VAL A 6 -5.501 -3.683 -5.171 1.00 10.00 H new ATOM 0 HA VAL A 6 -7.365 -1.701 -3.994 1.00 10.00 H new ATOM 0 HB VAL A 6 -4.579 -2.281 -3.052 1.00 10.00 H new ATOM 0 HG11 VAL A 6 -5.178 -0.682 -1.176 1.00 10.00 H new ATOM 0 HG12 VAL A 6 -5.250 0.104 -2.771 1.00 10.00 H new ATOM 0 HG13 VAL A 6 -6.751 -0.402 -1.959 1.00 10.00 H new ATOM 0 HG21 VAL A 6 -5.639 -2.978 -0.869 1.00 10.00 H new ATOM 0 HG22 VAL A 6 -7.242 -2.799 -1.622 1.00 10.00 H new ATOM 0 HG23 VAL A 6 -6.114 -4.041 -2.216 1.00 10.00 H new ATOM 88 N THR A 7 -6.155 0.180 -5.207 1.00 10.00 N ATOM 89 CA THR A 7 -5.621 1.260 -6.054 1.00 10.00 C ATOM 90 C THR A 7 -4.692 2.157 -5.233 1.00 10.00 C ATOM 91 O THR A 7 -5.081 2.652 -4.177 1.00 10.00 O ATOM 92 CB THR A 7 -6.772 2.099 -6.632 1.00 10.00 C ATOM 93 OG1 THR A 7 -7.757 1.275 -7.227 1.00 10.00 O ATOM 94 CG2 THR A 7 -6.305 3.101 -7.685 1.00 10.00 C ATOM 0 H THR A 7 -6.934 0.485 -4.624 1.00 10.00 H new ATOM 0 HA THR A 7 -5.058 0.815 -6.875 1.00 10.00 H new ATOM 0 HB THR A 7 -7.186 2.644 -5.784 1.00 10.00 H new ATOM 0 HG1 THR A 7 -8.478 1.834 -7.585 1.00 10.00 H new ATOM 0 HG21 THR A 7 -7.161 3.664 -8.056 1.00 10.00 H new ATOM 0 HG22 THR A 7 -5.585 3.787 -7.240 1.00 10.00 H new ATOM 0 HG23 THR A 7 -5.835 2.568 -8.512 1.00 10.00 H new ATOM 102 N LEU A 8 -3.463 2.371 -5.703 1.00 10.00 N ATOM 103 CA LEU A 8 -2.383 3.045 -4.973 1.00 10.00 C ATOM 104 C LEU A 8 -1.883 4.270 -5.735 1.00 10.00 C ATOM 105 O LEU A 8 -1.392 4.145 -6.858 1.00 10.00 O ATOM 106 CB LEU A 8 -1.188 2.095 -4.752 1.00 10.00 C ATOM 107 CG LEU A 8 -1.484 0.734 -4.111 1.00 10.00 C ATOM 108 CD1 LEU A 8 -0.167 0.105 -3.659 1.00 10.00 C ATOM 109 CD2 LEU A 8 -2.341 0.834 -2.855 1.00 10.00 C ATOM 0 H LEU A 8 -3.180 2.070 -6.635 1.00 10.00 H new ATOM 0 HA LEU A 8 -2.795 3.352 -4.012 1.00 10.00 H new ATOM 0 HB2 LEU A 8 -0.714 1.918 -5.718 1.00 10.00 H new ATOM 0 HB3 LEU A 8 -0.458 2.610 -4.128 1.00 10.00 H new ATOM 0 HG LEU A 8 -2.013 0.152 -4.865 1.00 10.00 H new ATOM 0 HD11 LEU A 8 -0.365 -0.864 -3.201 1.00 10.00 H new ATOM 0 HD12 LEU A 8 0.487 -0.028 -4.521 1.00 10.00 H new ATOM 0 HD13 LEU A 8 0.317 0.757 -2.932 1.00 10.00 H new ATOM 0 HD21 LEU A 8 -2.513 -0.164 -2.452 1.00 10.00 H new ATOM 0 HD22 LEU A 8 -1.827 1.442 -2.111 1.00 10.00 H new ATOM 0 HD23 LEU A 8 -3.297 1.295 -3.103 1.00 10.00 H new ATOM 121 N LYS A 9 -1.948 5.437 -5.093 1.00 10.00 N ATOM 122 CA LYS A 9 -1.349 6.703 -5.532 1.00 10.00 C ATOM 123 C LYS A 9 -0.032 6.943 -4.801 1.00 10.00 C ATOM 124 O LYS A 9 0.249 6.299 -3.792 1.00 10.00 O ATOM 125 CB LYS A 9 -2.312 7.873 -5.244 1.00 10.00 C ATOM 126 CG LYS A 9 -3.541 7.827 -6.150 1.00 10.00 C ATOM 127 CD LYS A 9 -4.396 9.094 -6.042 1.00 10.00 C ATOM 128 CE LYS A 9 -5.589 9.032 -7.006 1.00 10.00 C ATOM 129 NZ LYS A 9 -5.169 9.142 -8.431 1.00 10.00 N ATOM 0 H LYS A 9 -2.445 5.532 -4.207 1.00 10.00 H new ATOM 0 HA LYS A 9 -1.161 6.644 -6.604 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -2.627 7.837 -4.201 1.00 10.00 H new ATOM 0 HB3 LYS A 9 -1.789 8.819 -5.387 1.00 10.00 H new ATOM 0 HG2 LYS A 9 -3.222 7.695 -7.184 1.00 10.00 H new ATOM 0 HG3 LYS A 9 -4.148 6.960 -5.890 1.00 10.00 H new ATOM 0 HD2 LYS A 9 -4.755 9.209 -5.019 1.00 10.00 H new ATOM 0 HD3 LYS A 9 -3.787 9.969 -6.267 1.00 10.00 H new ATOM 0 HE2 LYS A 9 -6.124 8.094 -6.858 1.00 10.00 H new ATOM 0 HE3 LYS A 9 -6.285 9.837 -6.771 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -6.009 9.112 -9.044 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 -4.666 10.041 -8.576 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -4.539 8.350 -8.669 1.00 10.00 H new ATOM 143 N THR A 10 0.769 7.892 -5.273 1.00 10.00 N ATOM 144 CA THR A 10 2.123 8.143 -4.745 1.00 10.00 C ATOM 145 C THR A 10 2.420 9.635 -4.604 1.00 10.00 C ATOM 146 O THR A 10 1.867 10.466 -5.326 1.00 10.00 O ATOM 147 CB THR A 10 3.179 7.489 -5.656 1.00 10.00 C ATOM 148 OG1 THR A 10 3.173 8.093 -6.933 1.00 10.00 O ATOM 149 CG2 THR A 10 2.962 5.990 -5.870 1.00 10.00 C ATOM 0 H THR A 10 0.505 8.516 -6.035 1.00 10.00 H new ATOM 0 HA THR A 10 2.167 7.700 -3.750 1.00 10.00 H new ATOM 0 HB THR A 10 4.128 7.635 -5.140 1.00 10.00 H new ATOM 0 HG1 THR A 10 3.850 7.668 -7.499 1.00 10.00 H new ATOM 0 HG21 THR A 10 3.743 5.599 -6.521 1.00 10.00 H new ATOM 0 HG22 THR A 10 2.999 5.476 -4.909 1.00 10.00 H new ATOM 0 HG23 THR A 10 1.988 5.826 -6.332 1.00 10.00 H new ATOM 157 N LEU A 11 3.362 9.992 -3.719 1.00 10.00 N ATOM 158 CA LEU A 11 3.974 11.332 -3.682 1.00 10.00 C ATOM 159 C LEU A 11 4.683 11.721 -5.002 1.00 10.00 C ATOM 160 O LEU A 11 4.806 12.902 -5.330 1.00 10.00 O ATOM 161 CB LEU A 11 4.900 11.460 -2.454 1.00 10.00 C ATOM 162 CG LEU A 11 6.307 10.827 -2.545 1.00 10.00 C ATOM 163 CD1 LEU A 11 7.078 11.161 -1.268 1.00 10.00 C ATOM 164 CD2 LEU A 11 6.300 9.303 -2.704 1.00 10.00 C ATOM 0 H LEU A 11 3.723 9.359 -3.006 1.00 10.00 H new ATOM 0 HA LEU A 11 3.165 12.056 -3.579 1.00 10.00 H new ATOM 0 HB2 LEU A 11 5.023 12.521 -2.236 1.00 10.00 H new ATOM 0 HB3 LEU A 11 4.388 11.017 -1.600 1.00 10.00 H new ATOM 0 HG LEU A 11 6.772 11.242 -3.440 1.00 10.00 H new ATOM 0 HD11 LEU A 11 8.074 10.720 -1.318 1.00 10.00 H new ATOM 0 HD12 LEU A 11 7.165 12.243 -1.168 1.00 10.00 H new ATOM 0 HD13 LEU A 11 6.546 10.758 -0.406 1.00 10.00 H new ATOM 0 HD21 LEU A 11 7.326 8.938 -2.760 1.00 10.00 H new ATOM 0 HD22 LEU A 11 5.800 8.850 -1.848 1.00 10.00 H new ATOM 0 HD23 LEU A 11 5.769 9.035 -3.617 1.00 10.00 H new ATOM 176 N GLN A 12 5.087 10.715 -5.787 1.00 10.00 N ATOM 177 CA GLN A 12 5.621 10.824 -7.153 1.00 10.00 C ATOM 178 C GLN A 12 4.505 10.981 -8.219 1.00 10.00 C ATOM 179 O GLN A 12 4.781 10.971 -9.419 1.00 10.00 O ATOM 180 CB GLN A 12 6.530 9.604 -7.411 1.00 10.00 C ATOM 181 CG GLN A 12 7.807 9.663 -6.547 1.00 10.00 C ATOM 182 CD GLN A 12 8.582 8.342 -6.506 1.00 10.00 C ATOM 183 OE1 GLN A 12 8.772 7.659 -7.504 1.00 10.00 O ATOM 184 NE2 GLN A 12 9.055 7.940 -5.342 1.00 10.00 N ATOM 0 H GLN A 12 5.048 9.747 -5.469 1.00 10.00 H new ATOM 0 HA GLN A 12 6.211 11.736 -7.242 1.00 10.00 H new ATOM 0 HB2 GLN A 12 5.982 8.687 -7.192 1.00 10.00 H new ATOM 0 HB3 GLN A 12 6.803 9.568 -8.466 1.00 10.00 H new ATOM 0 HG2 GLN A 12 8.460 10.446 -6.932 1.00 10.00 H new ATOM 0 HG3 GLN A 12 7.535 9.947 -5.530 1.00 10.00 H new ATOM 0 HE21 GLN A 12 8.900 8.504 -4.506 1.00 10.00 H new ATOM 0 HE22 GLN A 12 9.575 7.065 -5.278 1.00 10.00 H new ATOM 193 N GLN A 13 3.252 11.181 -7.780 1.00 10.00 N ATOM 194 CA GLN A 13 2.089 11.615 -8.567 1.00 10.00 C ATOM 195 C GLN A 13 1.712 10.652 -9.709 1.00 10.00 C ATOM 196 O GLN A 13 1.437 11.066 -10.838 1.00 10.00 O ATOM 197 CB GLN A 13 2.265 13.094 -8.974 1.00 10.00 C ATOM 198 CG GLN A 13 2.270 14.033 -7.750 1.00 10.00 C ATOM 199 CD GLN A 13 3.269 15.179 -7.900 1.00 10.00 C ATOM 200 OE1 GLN A 13 3.097 16.096 -8.694 1.00 10.00 O ATOM 201 NE2 GLN A 13 4.353 15.173 -7.150 1.00 10.00 N ATOM 0 H GLN A 13 3.010 11.034 -6.800 1.00 10.00 H new ATOM 0 HA GLN A 13 1.201 11.565 -7.936 1.00 10.00 H new ATOM 0 HB2 GLN A 13 3.199 13.210 -9.524 1.00 10.00 H new ATOM 0 HB3 GLN A 13 1.459 13.383 -9.649 1.00 10.00 H new ATOM 0 HG2 GLN A 13 1.270 14.443 -7.605 1.00 10.00 H new ATOM 0 HG3 GLN A 13 2.512 13.459 -6.856 1.00 10.00 H new ATOM 0 HE21 GLN A 13 4.509 14.416 -6.485 1.00 10.00 H new ATOM 0 HE22 GLN A 13 5.036 15.926 -7.235 1.00 10.00 H new ATOM 210 N GLN A 14 1.677 9.354 -9.395 1.00 10.00 N ATOM 211 CA GLN A 14 1.213 8.271 -10.271 1.00 10.00 C ATOM 212 C GLN A 14 0.021 7.552 -9.615 1.00 10.00 C ATOM 213 O GLN A 14 -0.286 7.801 -8.447 1.00 10.00 O ATOM 214 CB GLN A 14 2.346 7.256 -10.522 1.00 10.00 C ATOM 215 CG GLN A 14 3.704 7.848 -10.921 1.00 10.00 C ATOM 216 CD GLN A 14 3.658 8.751 -12.157 1.00 10.00 C ATOM 217 OE1 GLN A 14 3.151 8.387 -13.212 1.00 10.00 O ATOM 218 NE2 GLN A 14 4.198 9.949 -12.084 1.00 10.00 N ATOM 0 H GLN A 14 1.984 9.013 -8.484 1.00 10.00 H new ATOM 0 HA GLN A 14 0.907 8.701 -11.225 1.00 10.00 H new ATOM 0 HB2 GLN A 14 2.482 6.663 -9.618 1.00 10.00 H new ATOM 0 HB3 GLN A 14 2.026 6.571 -11.307 1.00 10.00 H new ATOM 0 HG2 GLN A 14 4.099 8.420 -10.082 1.00 10.00 H new ATOM 0 HG3 GLN A 14 4.403 7.032 -11.107 1.00 10.00 H new ATOM 0 HE21 GLN A 14 4.623 10.264 -11.212 1.00 10.00 H new ATOM 0 HE22 GLN A 14 4.191 10.562 -12.899 1.00 10.00 H new ATOM 227 N THR A 15 -0.608 6.618 -10.337 1.00 10.00 N ATOM 228 CA THR A 15 -1.517 5.616 -9.748 1.00 10.00 C ATOM 229 C THR A 15 -1.338 4.239 -10.399 1.00 10.00 C ATOM 230 O THR A 15 -1.131 4.153 -11.613 1.00 10.00 O ATOM 231 CB THR A 15 -3.007 6.017 -9.824 1.00 10.00 C ATOM 232 OG1 THR A 15 -3.224 7.412 -9.730 1.00 10.00 O ATOM 233 CG2 THR A 15 -3.801 5.382 -8.686 1.00 10.00 C ATOM 0 H THR A 15 -0.504 6.532 -11.348 1.00 10.00 H new ATOM 0 HA THR A 15 -1.238 5.567 -8.696 1.00 10.00 H new ATOM 0 HB THR A 15 -3.337 5.665 -10.801 1.00 10.00 H new ATOM 0 HG1 THR A 15 -3.917 7.679 -10.370 1.00 10.00 H new ATOM 0 HG21 THR A 15 -4.847 5.680 -8.762 1.00 10.00 H new ATOM 0 HG22 THR A 15 -3.727 4.297 -8.752 1.00 10.00 H new ATOM 0 HG23 THR A 15 -3.397 5.716 -7.730 1.00 10.00 H new ATOM 241 N PHE A 16 -1.455 3.158 -9.622 1.00 10.00 N ATOM 242 CA PHE A 16 -1.466 1.766 -10.100 1.00 10.00 C ATOM 243 C PHE A 16 -2.382 0.884 -9.238 1.00 10.00 C ATOM 244 O PHE A 16 -2.863 1.316 -8.193 1.00 10.00 O ATOM 245 CB PHE A 16 -0.032 1.208 -10.146 1.00 10.00 C ATOM 246 CG PHE A 16 0.693 1.155 -8.814 1.00 10.00 C ATOM 247 CD1 PHE A 16 1.380 2.299 -8.355 1.00 10.00 C ATOM 248 CD2 PHE A 16 0.714 -0.026 -8.041 1.00 10.00 C ATOM 249 CE1 PHE A 16 2.073 2.270 -7.135 1.00 10.00 C ATOM 250 CE2 PHE A 16 1.462 -0.066 -6.856 1.00 10.00 C ATOM 251 CZ PHE A 16 2.128 1.080 -6.390 1.00 10.00 C ATOM 0 H PHE A 16 -1.548 3.227 -8.609 1.00 10.00 H new ATOM 0 HA PHE A 16 -1.871 1.755 -11.112 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -0.066 0.201 -10.561 1.00 10.00 H new ATOM 0 HB3 PHE A 16 0.554 1.817 -10.834 1.00 10.00 H new ATOM 0 HD1 PHE A 16 1.372 3.203 -8.946 1.00 10.00 H new ATOM 0 HD2 PHE A 16 0.157 -0.894 -8.361 1.00 10.00 H new ATOM 0 HE1 PHE A 16 2.563 3.160 -6.770 1.00 10.00 H new ATOM 0 HE2 PHE A 16 1.527 -0.987 -6.296 1.00 10.00 H new ATOM 0 HZ PHE A 16 2.680 1.046 -5.462 1.00 10.00 H new ATOM 261 N LYS A 17 -2.640 -0.352 -9.671 1.00 10.00 N ATOM 262 CA LYS A 17 -3.536 -1.322 -9.032 1.00 10.00 C ATOM 263 C LYS A 17 -2.883 -2.698 -8.960 1.00 10.00 C ATOM 264 O LYS A 17 -2.287 -3.176 -9.927 1.00 10.00 O ATOM 265 CB LYS A 17 -4.860 -1.392 -9.804 1.00 10.00 C ATOM 266 CG LYS A 17 -5.675 -0.111 -9.589 1.00 10.00 C ATOM 267 CD LYS A 17 -6.846 0.021 -10.557 1.00 10.00 C ATOM 268 CE LYS A 17 -7.937 -1.036 -10.336 1.00 10.00 C ATOM 269 NZ LYS A 17 -8.740 -0.764 -9.115 1.00 10.00 N ATOM 0 H LYS A 17 -2.209 -0.723 -10.518 1.00 10.00 H new ATOM 0 HA LYS A 17 -3.737 -0.994 -8.012 1.00 10.00 H new ATOM 0 HB2 LYS A 17 -4.661 -1.530 -10.867 1.00 10.00 H new ATOM 0 HB3 LYS A 17 -5.436 -2.256 -9.473 1.00 10.00 H new ATOM 0 HG2 LYS A 17 -6.053 -0.095 -8.567 1.00 10.00 H new ATOM 0 HG3 LYS A 17 -5.020 0.753 -9.701 1.00 10.00 H new ATOM 0 HD2 LYS A 17 -7.285 1.013 -10.453 1.00 10.00 H new ATOM 0 HD3 LYS A 17 -6.475 -0.058 -11.579 1.00 10.00 H new ATOM 0 HE2 LYS A 17 -8.596 -1.063 -11.204 1.00 10.00 H new ATOM 0 HE3 LYS A 17 -7.476 -2.020 -10.254 1.00 10.00 H new ATOM 0 HZ1 LYS A 17 -8.994 -1.664 -8.659 1.00 10.00 H new ATOM 0 HZ2 LYS A 17 -8.182 -0.186 -8.454 1.00 10.00 H new ATOM 0 HZ3 LYS A 17 -9.607 -0.252 -9.376 1.00 10.00 H new ATOM 283 N ILE A 18 -3.000 -3.304 -7.787 1.00 10.00 N ATOM 284 CA ILE A 18 -2.376 -4.565 -7.372 1.00 10.00 C ATOM 285 C ILE A 18 -3.357 -5.397 -6.533 1.00 10.00 C ATOM 286 O ILE A 18 -4.422 -4.899 -6.185 1.00 10.00 O ATOM 287 CB ILE A 18 -1.068 -4.268 -6.601 1.00 10.00 C ATOM 288 CG1 ILE A 18 -1.013 -2.985 -5.746 1.00 10.00 C ATOM 289 CG2 ILE A 18 0.106 -4.220 -7.592 1.00 10.00 C ATOM 290 CD1 ILE A 18 -2.073 -2.979 -4.653 1.00 10.00 C ATOM 0 H ILE A 18 -3.573 -2.904 -7.044 1.00 10.00 H new ATOM 0 HA ILE A 18 -2.123 -5.155 -8.253 1.00 10.00 H new ATOM 0 HB ILE A 18 -1.012 -5.086 -5.883 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -0.026 -2.894 -5.293 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -1.151 -2.115 -6.389 1.00 10.00 H new ATOM 0 HG21 ILE A 18 1.030 -4.011 -7.052 1.00 10.00 H new ATOM 0 HG22 ILE A 18 0.192 -5.180 -8.100 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -0.070 -3.435 -8.327 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -1.996 -2.057 -4.077 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -3.063 -3.043 -5.106 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -1.920 -3.833 -3.993 1.00 10.00 H new ATOM 302 N ASP A 19 -3.023 -6.645 -6.185 1.00 10.00 N ATOM 303 CA ASP A 19 -3.889 -7.539 -5.399 1.00 10.00 C ATOM 304 C ASP A 19 -3.098 -8.364 -4.370 1.00 10.00 C ATOM 305 O ASP A 19 -2.013 -8.873 -4.670 1.00 10.00 O ATOM 306 CB ASP A 19 -4.723 -8.437 -6.330 1.00 10.00 C ATOM 307 CG ASP A 19 -3.902 -9.522 -7.045 1.00 10.00 C ATOM 308 OD1 ASP A 19 -3.296 -9.236 -8.107 1.00 10.00 O ATOM 309 OD2 ASP A 19 -3.897 -10.683 -6.564 1.00 10.00 O ATOM 0 H ASP A 19 -2.133 -7.070 -6.443 1.00 10.00 H new ATOM 0 HA ASP A 19 -4.573 -6.913 -4.826 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -5.511 -8.915 -5.748 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -5.213 -7.813 -7.078 1.00 10.00 H new ATOM 314 N ILE A 20 -3.647 -8.489 -3.157 1.00 10.00 N ATOM 315 CA ILE A 20 -3.109 -9.270 -2.026 1.00 10.00 C ATOM 316 C ILE A 20 -4.258 -9.887 -1.202 1.00 10.00 C ATOM 317 O ILE A 20 -5.426 -9.522 -1.370 1.00 10.00 O ATOM 318 CB ILE A 20 -2.144 -8.442 -1.127 1.00 10.00 C ATOM 319 CG1 ILE A 20 -2.822 -7.436 -0.166 1.00 10.00 C ATOM 320 CG2 ILE A 20 -0.996 -7.764 -1.911 1.00 10.00 C ATOM 321 CD1 ILE A 20 -3.788 -6.423 -0.793 1.00 10.00 C ATOM 0 H ILE A 20 -4.524 -8.026 -2.920 1.00 10.00 H new ATOM 0 HA ILE A 20 -2.511 -10.078 -2.448 1.00 10.00 H new ATOM 0 HB ILE A 20 -1.709 -9.210 -0.488 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -3.367 -8.002 0.589 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -2.040 -6.883 0.353 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -0.364 -7.205 -1.221 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -0.399 -8.525 -2.413 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -1.414 -7.083 -2.652 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -4.194 -5.778 -0.014 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -3.255 -5.817 -1.525 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -4.603 -6.954 -1.286 1.00 10.00 H new ATOM 333 N ASP A 21 -3.959 -10.821 -0.295 1.00 10.00 N ATOM 334 CA ASP A 21 -4.963 -11.418 0.598 1.00 10.00 C ATOM 335 C ASP A 21 -5.442 -10.420 1.687 1.00 10.00 C ATOM 336 O ASP A 21 -4.598 -9.820 2.361 1.00 10.00 O ATOM 337 CB ASP A 21 -4.386 -12.690 1.231 1.00 10.00 C ATOM 338 CG ASP A 21 -5.498 -13.571 1.807 1.00 10.00 C ATOM 339 OD1 ASP A 21 -6.094 -13.188 2.838 1.00 10.00 O ATOM 340 OD2 ASP A 21 -5.795 -14.628 1.201 1.00 10.00 O ATOM 0 H ASP A 21 -3.017 -11.186 -0.157 1.00 10.00 H new ATOM 0 HA ASP A 21 -5.841 -11.674 0.005 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -3.825 -13.250 0.483 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -3.685 -12.421 2.021 1.00 10.00 H new ATOM 345 N PRO A 22 -6.764 -10.235 1.908 1.00 10.00 N ATOM 346 CA PRO A 22 -7.310 -9.377 2.970 1.00 10.00 C ATOM 347 C PRO A 22 -6.784 -9.663 4.391 1.00 10.00 C ATOM 348 O PRO A 22 -6.748 -8.758 5.226 1.00 10.00 O ATOM 349 CB PRO A 22 -8.830 -9.572 2.925 1.00 10.00 C ATOM 350 CG PRO A 22 -9.116 -10.064 1.512 1.00 10.00 C ATOM 351 CD PRO A 22 -7.844 -10.810 1.121 1.00 10.00 C ATOM 0 HA PRO A 22 -6.991 -8.353 2.776 1.00 10.00 H new ATOM 0 HB2 PRO A 22 -9.158 -10.296 3.670 1.00 10.00 H new ATOM 0 HB3 PRO A 22 -9.355 -8.640 3.133 1.00 10.00 H new ATOM 0 HG2 PRO A 22 -9.987 -10.718 1.485 1.00 10.00 H new ATOM 0 HG3 PRO A 22 -9.318 -9.235 0.833 1.00 10.00 H new ATOM 0 HD2 PRO A 22 -7.944 -11.877 1.322 1.00 10.00 H new ATOM 0 HD3 PRO A 22 -7.645 -10.703 0.055 1.00 10.00 H new ATOM 359 N GLU A 23 -6.386 -10.904 4.681 1.00 10.00 N ATOM 360 CA GLU A 23 -5.856 -11.324 5.987 1.00 10.00 C ATOM 361 C GLU A 23 -4.338 -11.083 6.155 1.00 10.00 C ATOM 362 O GLU A 23 -3.825 -11.229 7.267 1.00 10.00 O ATOM 363 CB GLU A 23 -6.166 -12.814 6.224 1.00 10.00 C ATOM 364 CG GLU A 23 -7.661 -13.171 6.175 1.00 10.00 C ATOM 365 CD GLU A 23 -8.499 -12.383 7.199 1.00 10.00 C ATOM 366 OE1 GLU A 23 -8.060 -12.212 8.363 1.00 10.00 O ATOM 367 OE2 GLU A 23 -9.616 -11.922 6.864 1.00 10.00 O ATOM 0 H GLU A 23 -6.423 -11.664 4.002 1.00 10.00 H new ATOM 0 HA GLU A 23 -6.354 -10.700 6.729 1.00 10.00 H new ATOM 0 HB2 GLU A 23 -5.640 -13.405 5.474 1.00 10.00 H new ATOM 0 HB3 GLU A 23 -5.768 -13.105 7.196 1.00 10.00 H new ATOM 0 HG2 GLU A 23 -8.043 -12.976 5.173 1.00 10.00 H new ATOM 0 HG3 GLU A 23 -7.781 -14.239 6.360 1.00 10.00 H new ATOM 374 N GLU A 24 -3.603 -10.713 5.098 1.00 10.00 N ATOM 375 CA GLU A 24 -2.177 -10.366 5.217 1.00 10.00 C ATOM 376 C GLU A 24 -1.994 -8.953 5.795 1.00 10.00 C ATOM 377 O GLU A 24 -2.850 -8.079 5.634 1.00 10.00 O ATOM 378 CB GLU A 24 -1.467 -10.482 3.857 1.00 10.00 C ATOM 379 CG GLU A 24 -1.218 -11.936 3.427 1.00 10.00 C ATOM 380 CD GLU A 24 -0.015 -12.562 4.161 1.00 10.00 C ATOM 381 OE1 GLU A 24 -0.179 -13.053 5.305 1.00 10.00 O ATOM 382 OE2 GLU A 24 1.106 -12.577 3.598 1.00 10.00 O ATOM 0 H GLU A 24 -3.971 -10.646 4.149 1.00 10.00 H new ATOM 0 HA GLU A 24 -1.723 -11.078 5.906 1.00 10.00 H new ATOM 0 HB2 GLU A 24 -2.068 -9.983 3.097 1.00 10.00 H new ATOM 0 HB3 GLU A 24 -0.514 -9.956 3.906 1.00 10.00 H new ATOM 0 HG2 GLU A 24 -2.111 -12.529 3.624 1.00 10.00 H new ATOM 0 HG3 GLU A 24 -1.043 -11.970 2.352 1.00 10.00 H new ATOM 389 N THR A 25 -0.870 -8.724 6.477 1.00 10.00 N ATOM 390 CA THR A 25 -0.497 -7.425 7.057 1.00 10.00 C ATOM 391 C THR A 25 -0.017 -6.432 5.993 1.00 10.00 C ATOM 392 O THR A 25 0.317 -6.813 4.867 1.00 10.00 O ATOM 393 CB THR A 25 0.576 -7.600 8.142 1.00 10.00 C ATOM 394 OG1 THR A 25 1.717 -8.232 7.606 1.00 10.00 O ATOM 395 CG2 THR A 25 0.075 -8.447 9.312 1.00 10.00 C ATOM 0 H THR A 25 -0.175 -9.451 6.647 1.00 10.00 H new ATOM 0 HA THR A 25 -1.397 -7.010 7.511 1.00 10.00 H new ATOM 0 HB THR A 25 0.820 -6.601 8.503 1.00 10.00 H new ATOM 0 HG1 THR A 25 2.393 -8.336 8.308 1.00 10.00 H new ATOM 0 HG21 THR A 25 0.866 -8.545 10.055 1.00 10.00 H new ATOM 0 HG22 THR A 25 -0.791 -7.965 9.765 1.00 10.00 H new ATOM 0 HG23 THR A 25 -0.207 -9.436 8.951 1.00 10.00 H new ATOM 403 N VAL A 26 0.043 -5.137 6.338 1.00 10.00 N ATOM 404 CA VAL A 26 0.462 -4.071 5.401 1.00 10.00 C ATOM 405 C VAL A 26 1.883 -4.293 4.874 1.00 10.00 C ATOM 406 O VAL A 26 2.158 -3.931 3.731 1.00 10.00 O ATOM 407 CB VAL A 26 0.306 -2.676 6.038 1.00 10.00 C ATOM 408 CG1 VAL A 26 0.761 -1.525 5.132 1.00 10.00 C ATOM 409 CG2 VAL A 26 -1.162 -2.421 6.391 1.00 10.00 C ATOM 0 H VAL A 26 -0.195 -4.795 7.269 1.00 10.00 H new ATOM 0 HA VAL A 26 -0.204 -4.120 4.540 1.00 10.00 H new ATOM 0 HB VAL A 26 0.946 -2.690 6.920 1.00 10.00 H new ATOM 0 HG11 VAL A 26 0.620 -0.577 5.650 1.00 10.00 H new ATOM 0 HG12 VAL A 26 1.815 -1.651 4.886 1.00 10.00 H new ATOM 0 HG13 VAL A 26 0.171 -1.529 4.215 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.262 -1.433 6.840 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.768 -2.471 5.486 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.503 -3.177 7.098 1.00 10.00 H new ATOM 419 N LYS A 27 2.764 -4.971 5.624 1.00 10.00 N ATOM 420 CA LYS A 27 4.082 -5.417 5.135 1.00 10.00 C ATOM 421 C LYS A 27 4.025 -6.188 3.812 1.00 10.00 C ATOM 422 O LYS A 27 4.898 -5.969 2.982 1.00 10.00 O ATOM 423 CB LYS A 27 4.819 -6.223 6.218 1.00 10.00 C ATOM 424 CG LYS A 27 5.463 -5.263 7.229 1.00 10.00 C ATOM 425 CD LYS A 27 6.145 -5.949 8.419 1.00 10.00 C ATOM 426 CE LYS A 27 5.146 -6.696 9.313 1.00 10.00 C ATOM 427 NZ LYS A 27 5.472 -6.535 10.752 1.00 10.00 N ATOM 0 H LYS A 27 2.583 -5.228 6.594 1.00 10.00 H new ATOM 0 HA LYS A 27 4.647 -4.510 4.919 1.00 10.00 H new ATOM 0 HB2 LYS A 27 4.122 -6.889 6.727 1.00 10.00 H new ATOM 0 HB3 LYS A 27 5.583 -6.851 5.761 1.00 10.00 H new ATOM 0 HG2 LYS A 27 6.200 -4.650 6.709 1.00 10.00 H new ATOM 0 HG3 LYS A 27 4.696 -4.587 7.607 1.00 10.00 H new ATOM 0 HD2 LYS A 27 6.894 -6.650 8.051 1.00 10.00 H new ATOM 0 HD3 LYS A 27 6.672 -5.202 9.013 1.00 10.00 H new ATOM 0 HE2 LYS A 27 4.139 -6.324 9.124 1.00 10.00 H new ATOM 0 HE3 LYS A 27 5.148 -7.755 9.055 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 4.739 -6.996 11.328 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 6.394 -6.973 10.950 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 5.512 -5.523 10.988 1.00 10.00 H new ATOM 441 N ALA A 28 3.007 -7.015 3.559 1.00 10.00 N ATOM 442 CA ALA A 28 2.885 -7.740 2.287 1.00 10.00 C ATOM 443 C ALA A 28 2.503 -6.817 1.113 1.00 10.00 C ATOM 444 O ALA A 28 3.148 -6.819 0.064 1.00 10.00 O ATOM 445 CB ALA A 28 1.841 -8.853 2.459 1.00 10.00 C ATOM 0 H ALA A 28 2.252 -7.201 4.219 1.00 10.00 H new ATOM 0 HA ALA A 28 3.858 -8.163 2.038 1.00 10.00 H new ATOM 0 HB1 ALA A 28 1.737 -9.402 1.523 1.00 10.00 H new ATOM 0 HB2 ALA A 28 2.162 -9.535 3.246 1.00 10.00 H new ATOM 0 HB3 ALA A 28 0.881 -8.413 2.730 1.00 10.00 H new ATOM 451 N LEU A 29 1.485 -5.970 1.302 1.00 10.00 N ATOM 452 CA LEU A 29 1.066 -4.933 0.366 1.00 10.00 C ATOM 453 C LEU A 29 2.182 -3.922 0.067 1.00 10.00 C ATOM 454 O LEU A 29 2.304 -3.436 -1.057 1.00 10.00 O ATOM 455 CB LEU A 29 -0.158 -4.303 1.033 1.00 10.00 C ATOM 456 CG LEU A 29 -0.974 -3.278 0.250 1.00 10.00 C ATOM 457 CD1 LEU A 29 -0.446 -1.852 0.383 1.00 10.00 C ATOM 458 CD2 LEU A 29 -1.175 -3.613 -1.226 1.00 10.00 C ATOM 0 H LEU A 29 0.911 -5.993 2.145 1.00 10.00 H new ATOM 0 HA LEU A 29 0.827 -5.334 -0.619 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -0.831 -5.111 1.320 1.00 10.00 H new ATOM 0 HB3 LEU A 29 0.177 -3.825 1.954 1.00 10.00 H new ATOM 0 HG LEU A 29 -1.952 -3.334 0.729 1.00 10.00 H new ATOM 0 HD11 LEU A 29 -1.073 -1.176 -0.199 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -0.465 -1.553 1.431 1.00 10.00 H new ATOM 0 HD13 LEU A 29 0.578 -1.807 0.012 1.00 10.00 H new ATOM 0 HD21 LEU A 29 -1.765 -2.829 -1.700 1.00 10.00 H new ATOM 0 HD22 LEU A 29 -0.205 -3.685 -1.718 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -1.698 -4.565 -1.315 1.00 10.00 H new ATOM 470 N LYS A 30 3.018 -3.618 1.061 1.00 10.00 N ATOM 471 CA LYS A 30 4.165 -2.716 0.948 1.00 10.00 C ATOM 472 C LYS A 30 5.413 -3.365 0.336 1.00 10.00 C ATOM 473 O LYS A 30 6.094 -2.719 -0.457 1.00 10.00 O ATOM 474 CB LYS A 30 4.364 -2.073 2.335 1.00 10.00 C ATOM 475 CG LYS A 30 5.453 -0.997 2.386 1.00 10.00 C ATOM 476 CD LYS A 30 6.756 -1.525 2.999 1.00 10.00 C ATOM 477 CE LYS A 30 6.740 -1.488 4.538 1.00 10.00 C ATOM 478 NZ LYS A 30 7.274 -0.207 5.084 1.00 10.00 N ATOM 0 H LYS A 30 2.912 -4.006 1.998 1.00 10.00 H new ATOM 0 HA LYS A 30 3.965 -1.931 0.219 1.00 10.00 H new ATOM 0 HB2 LYS A 30 3.420 -1.632 2.656 1.00 10.00 H new ATOM 0 HB3 LYS A 30 4.610 -2.856 3.052 1.00 10.00 H new ATOM 0 HG2 LYS A 30 5.649 -0.632 1.378 1.00 10.00 H new ATOM 0 HG3 LYS A 30 5.096 -0.148 2.969 1.00 10.00 H new ATOM 0 HD2 LYS A 30 6.922 -2.549 2.665 1.00 10.00 H new ATOM 0 HD3 LYS A 30 7.593 -0.931 2.633 1.00 10.00 H new ATOM 0 HE2 LYS A 30 5.719 -1.632 4.891 1.00 10.00 H new ATOM 0 HE3 LYS A 30 7.331 -2.318 4.924 1.00 10.00 H new ATOM 0 HZ1 LYS A 30 7.103 -0.168 6.109 1.00 10.00 H new ATOM 0 HZ2 LYS A 30 8.296 -0.151 4.902 1.00 10.00 H new ATOM 0 HZ3 LYS A 30 6.796 0.593 4.623 1.00 10.00 H new ATOM 492 N GLU A 31 5.709 -4.634 0.627 1.00 10.00 N ATOM 493 CA GLU A 31 6.846 -5.335 0.008 1.00 10.00 C ATOM 494 C GLU A 31 6.629 -5.594 -1.491 1.00 10.00 C ATOM 495 O GLU A 31 7.569 -5.465 -2.279 1.00 10.00 O ATOM 496 CB GLU A 31 7.229 -6.620 0.773 1.00 10.00 C ATOM 497 CG GLU A 31 6.483 -7.905 0.391 1.00 10.00 C ATOM 498 CD GLU A 31 6.971 -9.099 1.236 1.00 10.00 C ATOM 499 OE1 GLU A 31 8.019 -9.700 0.894 1.00 10.00 O ATOM 500 OE2 GLU A 31 6.309 -9.458 2.241 1.00 10.00 O ATOM 0 H GLU A 31 5.178 -5.201 1.288 1.00 10.00 H new ATOM 0 HA GLU A 31 7.700 -4.662 0.084 1.00 10.00 H new ATOM 0 HB2 GLU A 31 8.296 -6.793 0.632 1.00 10.00 H new ATOM 0 HB3 GLU A 31 7.073 -6.441 1.837 1.00 10.00 H new ATOM 0 HG2 GLU A 31 5.412 -7.765 0.537 1.00 10.00 H new ATOM 0 HG3 GLU A 31 6.635 -8.117 -0.667 1.00 10.00 H new ATOM 507 N LYS A 32 5.394 -5.921 -1.909 1.00 10.00 N ATOM 508 CA LYS A 32 5.113 -6.345 -3.288 1.00 10.00 C ATOM 509 C LYS A 32 5.292 -5.248 -4.343 1.00 10.00 C ATOM 510 O LYS A 32 5.488 -5.580 -5.512 1.00 10.00 O ATOM 511 CB LYS A 32 3.717 -6.984 -3.333 1.00 10.00 C ATOM 512 CG LYS A 32 2.561 -5.966 -3.334 1.00 10.00 C ATOM 513 CD LYS A 32 2.056 -5.490 -4.714 1.00 10.00 C ATOM 514 CE LYS A 32 1.810 -6.621 -5.728 1.00 10.00 C ATOM 515 NZ LYS A 32 2.913 -6.731 -6.721 1.00 10.00 N ATOM 0 H LYS A 32 4.571 -5.899 -1.306 1.00 10.00 H new ATOM 0 HA LYS A 32 5.866 -7.083 -3.564 1.00 10.00 H new ATOM 0 HB2 LYS A 32 3.642 -7.605 -4.226 1.00 10.00 H new ATOM 0 HB3 LYS A 32 3.604 -7.646 -2.474 1.00 10.00 H new ATOM 0 HG2 LYS A 32 1.720 -6.406 -2.797 1.00 10.00 H new ATOM 0 HG3 LYS A 32 2.878 -5.091 -2.767 1.00 10.00 H new ATOM 0 HD2 LYS A 32 1.128 -4.935 -4.576 1.00 10.00 H new ATOM 0 HD3 LYS A 32 2.784 -4.795 -5.133 1.00 10.00 H new ATOM 0 HE2 LYS A 32 1.705 -7.567 -5.197 1.00 10.00 H new ATOM 0 HE3 LYS A 32 0.870 -6.442 -6.249 1.00 10.00 H new ATOM 0 HZ1 LYS A 32 2.937 -7.696 -7.108 1.00 10.00 H new ATOM 0 HZ2 LYS A 32 2.754 -6.052 -7.493 1.00 10.00 H new ATOM 0 HZ3 LYS A 32 3.820 -6.521 -6.257 1.00 10.00 H new ATOM 529 N ILE A 33 5.179 -3.965 -3.972 1.00 10.00 N ATOM 530 CA ILE A 33 5.373 -2.837 -4.902 1.00 10.00 C ATOM 531 C ILE A 33 6.853 -2.518 -5.127 1.00 10.00 C ATOM 532 O ILE A 33 7.224 -2.094 -6.219 1.00 10.00 O ATOM 533 CB ILE A 33 4.554 -1.583 -4.506 1.00 10.00 C ATOM 534 CG1 ILE A 33 5.131 -0.727 -3.356 1.00 10.00 C ATOM 535 CG2 ILE A 33 3.097 -1.958 -4.195 1.00 10.00 C ATOM 536 CD1 ILE A 33 6.027 0.413 -3.861 1.00 10.00 C ATOM 0 H ILE A 33 4.951 -3.677 -3.020 1.00 10.00 H new ATOM 0 HA ILE A 33 4.975 -3.166 -5.862 1.00 10.00 H new ATOM 0 HB ILE A 33 4.613 -0.945 -5.388 1.00 10.00 H new ATOM 0 HG12 ILE A 33 4.311 -0.308 -2.773 1.00 10.00 H new ATOM 0 HG13 ILE A 33 5.706 -1.366 -2.685 1.00 10.00 H new ATOM 0 HG21 ILE A 33 2.541 -1.062 -3.919 1.00 10.00 H new ATOM 0 HG22 ILE A 33 2.642 -2.411 -5.076 1.00 10.00 H new ATOM 0 HG23 ILE A 33 3.073 -2.668 -3.369 1.00 10.00 H new ATOM 0 HD11 ILE A 33 6.405 0.982 -3.012 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.865 -0.003 -4.421 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.448 1.071 -4.510 1.00 10.00 H new ATOM 548 N GLU A 34 7.728 -2.771 -4.147 1.00 10.00 N ATOM 549 CA GLU A 34 9.185 -2.631 -4.326 1.00 10.00 C ATOM 550 C GLU A 34 9.704 -3.550 -5.449 1.00 10.00 C ATOM 551 O GLU A 34 10.592 -3.158 -6.209 1.00 10.00 O ATOM 552 CB GLU A 34 9.904 -2.908 -2.995 1.00 10.00 C ATOM 553 CG GLU A 34 11.399 -2.559 -3.045 1.00 10.00 C ATOM 554 CD GLU A 34 12.127 -2.938 -1.739 1.00 10.00 C ATOM 555 OE1 GLU A 34 12.377 -4.148 -1.517 1.00 10.00 O ATOM 556 OE2 GLU A 34 12.483 -2.030 -0.951 1.00 10.00 O ATOM 0 H GLU A 34 7.453 -3.076 -3.213 1.00 10.00 H new ATOM 0 HA GLU A 34 9.401 -1.607 -4.629 1.00 10.00 H new ATOM 0 HB2 GLU A 34 9.427 -2.332 -2.202 1.00 10.00 H new ATOM 0 HB3 GLU A 34 9.789 -3.961 -2.737 1.00 10.00 H new ATOM 0 HG2 GLU A 34 11.864 -3.078 -3.883 1.00 10.00 H new ATOM 0 HG3 GLU A 34 11.516 -1.491 -3.228 1.00 10.00 H new ATOM 563 N SER A 35 9.089 -4.728 -5.619 1.00 10.00 N ATOM 564 CA SER A 35 9.379 -5.663 -6.722 1.00 10.00 C ATOM 565 C SER A 35 9.079 -5.092 -8.120 1.00 10.00 C ATOM 566 O SER A 35 9.622 -5.576 -9.113 1.00 10.00 O ATOM 567 CB SER A 35 8.577 -6.959 -6.544 1.00 10.00 C ATOM 568 OG SER A 35 8.767 -7.519 -5.251 1.00 10.00 O ATOM 0 H SER A 35 8.364 -5.066 -4.986 1.00 10.00 H new ATOM 0 HA SER A 35 10.451 -5.851 -6.670 1.00 10.00 H new ATOM 0 HB2 SER A 35 7.518 -6.756 -6.701 1.00 10.00 H new ATOM 0 HB3 SER A 35 8.879 -7.682 -7.302 1.00 10.00 H new ATOM 0 HG SER A 35 8.241 -8.342 -5.170 1.00 10.00 H new ATOM 574 N GLU A 36 8.221 -4.068 -8.214 1.00 10.00 N ATOM 575 CA GLU A 36 7.853 -3.387 -9.465 1.00 10.00 C ATOM 576 C GLU A 36 8.601 -2.060 -9.660 1.00 10.00 C ATOM 577 O GLU A 36 9.063 -1.765 -10.767 1.00 10.00 O ATOM 578 CB GLU A 36 6.353 -3.059 -9.445 1.00 10.00 C ATOM 579 CG GLU A 36 5.437 -4.290 -9.420 1.00 10.00 C ATOM 580 CD GLU A 36 3.976 -3.887 -9.157 1.00 10.00 C ATOM 581 OE1 GLU A 36 3.576 -2.744 -9.496 1.00 10.00 O ATOM 582 OE2 GLU A 36 3.234 -4.717 -8.581 1.00 10.00 O ATOM 0 H GLU A 36 7.749 -3.678 -7.398 1.00 10.00 H new ATOM 0 HA GLU A 36 8.117 -4.065 -10.277 1.00 10.00 H new ATOM 0 HB2 GLU A 36 6.139 -2.444 -8.571 1.00 10.00 H new ATOM 0 HB3 GLU A 36 6.112 -2.460 -10.323 1.00 10.00 H new ATOM 0 HG2 GLU A 36 5.506 -4.818 -10.371 1.00 10.00 H new ATOM 0 HG3 GLU A 36 5.772 -4.981 -8.646 1.00 10.00 H new ATOM 589 N LYS A 37 8.700 -1.246 -8.598 1.00 10.00 N ATOM 590 CA LYS A 37 9.128 0.164 -8.673 1.00 10.00 C ATOM 591 C LYS A 37 10.602 0.377 -8.292 1.00 10.00 C ATOM 592 O LYS A 37 11.176 1.415 -8.626 1.00 10.00 O ATOM 593 CB LYS A 37 8.223 1.034 -7.778 1.00 10.00 C ATOM 594 CG LYS A 37 6.699 0.875 -7.943 1.00 10.00 C ATOM 595 CD LYS A 37 6.209 1.010 -9.393 1.00 10.00 C ATOM 596 CE LYS A 37 4.679 1.119 -9.497 1.00 10.00 C ATOM 597 NZ LYS A 37 3.957 -0.046 -8.918 1.00 10.00 N ATOM 0 H LYS A 37 8.483 -1.550 -7.649 1.00 10.00 H new ATOM 0 HA LYS A 37 9.031 0.464 -9.716 1.00 10.00 H new ATOM 0 HB2 LYS A 37 8.473 0.822 -6.739 1.00 10.00 H new ATOM 0 HB3 LYS A 37 8.474 2.079 -7.959 1.00 10.00 H new ATOM 0 HG2 LYS A 37 6.402 -0.101 -7.560 1.00 10.00 H new ATOM 0 HG3 LYS A 37 6.198 1.624 -7.330 1.00 10.00 H new ATOM 0 HD2 LYS A 37 6.663 1.892 -9.845 1.00 10.00 H new ATOM 0 HD3 LYS A 37 6.547 0.148 -9.968 1.00 10.00 H new ATOM 0 HE2 LYS A 37 4.353 2.027 -8.989 1.00 10.00 H new ATOM 0 HE3 LYS A 37 4.401 1.223 -10.546 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 2.961 0.208 -8.757 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 4.008 -0.849 -9.577 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 4.397 -0.312 -8.014 1.00 10.00 H new ATOM 611 N GLY A 38 11.213 -0.601 -7.621 1.00 10.00 N ATOM 612 CA GLY A 38 12.599 -0.584 -7.150 1.00 10.00 C ATOM 613 C GLY A 38 12.774 0.131 -5.806 1.00 10.00 C ATOM 614 O GLY A 38 12.161 1.171 -5.539 1.00 10.00 O ATOM 0 H GLY A 38 10.732 -1.468 -7.380 1.00 10.00 H new ATOM 0 HA2 GLY A 38 12.956 -1.610 -7.057 1.00 10.00 H new ATOM 0 HA3 GLY A 38 13.224 -0.095 -7.898 1.00 10.00 H new ATOM 618 N LYS A 39 13.668 -0.397 -4.960 1.00 10.00 N ATOM 619 CA LYS A 39 13.996 0.182 -3.644 1.00 10.00 C ATOM 620 C LYS A 39 14.610 1.584 -3.723 1.00 10.00 C ATOM 621 O LYS A 39 14.547 2.342 -2.762 1.00 10.00 O ATOM 622 CB LYS A 39 14.850 -0.812 -2.830 1.00 10.00 C ATOM 623 CG LYS A 39 16.308 -1.011 -3.277 1.00 10.00 C ATOM 624 CD LYS A 39 17.270 0.016 -2.668 1.00 10.00 C ATOM 625 CE LYS A 39 18.709 -0.310 -3.089 1.00 10.00 C ATOM 626 NZ LYS A 39 19.602 0.867 -2.938 1.00 10.00 N ATOM 0 H LYS A 39 14.191 -1.247 -5.169 1.00 10.00 H new ATOM 0 HA LYS A 39 13.058 0.339 -3.111 1.00 10.00 H new ATOM 0 HB2 LYS A 39 14.857 -0.481 -1.791 1.00 10.00 H new ATOM 0 HB3 LYS A 39 14.354 -1.782 -2.852 1.00 10.00 H new ATOM 0 HG2 LYS A 39 16.633 -2.014 -2.999 1.00 10.00 H new ATOM 0 HG3 LYS A 39 16.360 -0.949 -4.364 1.00 10.00 H new ATOM 0 HD2 LYS A 39 17.003 1.020 -2.999 1.00 10.00 H new ATOM 0 HD3 LYS A 39 17.188 0.006 -1.581 1.00 10.00 H new ATOM 0 HE2 LYS A 39 19.088 -1.135 -2.485 1.00 10.00 H new ATOM 0 HE3 LYS A 39 18.718 -0.644 -4.126 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 20.573 0.602 -3.199 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 19.274 1.634 -3.559 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 19.585 1.191 -1.950 1.00 10.00 H new ATOM 640 N ASP A 40 15.183 1.950 -4.871 1.00 10.00 N ATOM 641 CA ASP A 40 15.765 3.279 -5.116 1.00 10.00 C ATOM 642 C ASP A 40 14.709 4.381 -5.367 1.00 10.00 C ATOM 643 O ASP A 40 15.060 5.560 -5.447 1.00 10.00 O ATOM 644 CB ASP A 40 16.771 3.185 -6.275 1.00 10.00 C ATOM 645 CG ASP A 40 17.956 2.273 -5.917 1.00 10.00 C ATOM 646 OD1 ASP A 40 18.696 2.587 -4.954 1.00 10.00 O ATOM 647 OD2 ASP A 40 18.146 1.231 -6.587 1.00 10.00 O ATOM 0 H ASP A 40 15.259 1.324 -5.672 1.00 10.00 H new ATOM 0 HA ASP A 40 16.280 3.585 -4.205 1.00 10.00 H new ATOM 0 HB2 ASP A 40 16.270 2.801 -7.163 1.00 10.00 H new ATOM 0 HB3 ASP A 40 17.138 4.181 -6.522 1.00 10.00 H new ATOM 652 N ALA A 41 13.420 4.017 -5.442 1.00 10.00 N ATOM 653 CA ALA A 41 12.286 4.941 -5.543 1.00 10.00 C ATOM 654 C ALA A 41 11.218 4.714 -4.452 1.00 10.00 C ATOM 655 O ALA A 41 10.557 5.675 -4.052 1.00 10.00 O ATOM 656 CB ALA A 41 11.686 4.814 -6.950 1.00 10.00 C ATOM 0 H ALA A 41 13.131 3.039 -5.434 1.00 10.00 H new ATOM 0 HA ALA A 41 12.651 5.955 -5.377 1.00 10.00 H new ATOM 0 HB1 ALA A 41 10.839 5.494 -7.047 1.00 10.00 H new ATOM 0 HB2 ALA A 41 12.443 5.068 -7.692 1.00 10.00 H new ATOM 0 HB3 ALA A 41 11.349 3.790 -7.111 1.00 10.00 H new ATOM 662 N PHE A 42 11.072 3.480 -3.949 1.00 10.00 N ATOM 663 CA PHE A 42 10.166 3.110 -2.850 1.00 10.00 C ATOM 664 C PHE A 42 10.827 2.082 -1.898 1.00 10.00 C ATOM 665 O PHE A 42 10.482 0.897 -1.934 1.00 10.00 O ATOM 666 CB PHE A 42 8.825 2.608 -3.416 1.00 10.00 C ATOM 667 CG PHE A 42 8.008 3.648 -4.162 1.00 10.00 C ATOM 668 CD1 PHE A 42 8.190 3.825 -5.548 1.00 10.00 C ATOM 669 CD2 PHE A 42 7.071 4.446 -3.476 1.00 10.00 C ATOM 670 CE1 PHE A 42 7.462 4.807 -6.238 1.00 10.00 C ATOM 671 CE2 PHE A 42 6.346 5.434 -4.165 1.00 10.00 C ATOM 672 CZ PHE A 42 6.546 5.619 -5.544 1.00 10.00 C ATOM 0 H PHE A 42 11.599 2.684 -4.308 1.00 10.00 H new ATOM 0 HA PHE A 42 9.960 3.996 -2.250 1.00 10.00 H new ATOM 0 HB2 PHE A 42 9.023 1.773 -4.089 1.00 10.00 H new ATOM 0 HB3 PHE A 42 8.225 2.219 -2.594 1.00 10.00 H new ATOM 0 HD1 PHE A 42 8.893 3.202 -6.082 1.00 10.00 H new ATOM 0 HD2 PHE A 42 6.909 4.298 -2.418 1.00 10.00 H new ATOM 0 HE1 PHE A 42 7.605 4.939 -7.300 1.00 10.00 H new ATOM 0 HE2 PHE A 42 5.635 6.051 -3.635 1.00 10.00 H new ATOM 0 HZ PHE A 42 5.996 6.385 -6.071 1.00 10.00 H new ATOM 682 N PRO A 43 11.806 2.487 -1.062 1.00 10.00 N ATOM 683 CA PRO A 43 12.523 1.580 -0.160 1.00 10.00 C ATOM 684 C PRO A 43 11.601 1.024 0.931 1.00 10.00 C ATOM 685 O PRO A 43 10.995 1.794 1.678 1.00 10.00 O ATOM 686 CB PRO A 43 13.669 2.399 0.440 1.00 10.00 C ATOM 687 CG PRO A 43 13.159 3.833 0.358 1.00 10.00 C ATOM 688 CD PRO A 43 12.289 3.849 -0.897 1.00 10.00 C ATOM 0 HA PRO A 43 12.899 0.710 -0.698 1.00 10.00 H new ATOM 0 HB2 PRO A 43 13.877 2.105 1.469 1.00 10.00 H new ATOM 0 HB3 PRO A 43 14.594 2.269 -0.122 1.00 10.00 H new ATOM 0 HG2 PRO A 43 12.585 4.103 1.244 1.00 10.00 H new ATOM 0 HG3 PRO A 43 13.981 4.545 0.282 1.00 10.00 H new ATOM 0 HD2 PRO A 43 11.459 4.548 -0.789 1.00 10.00 H new ATOM 0 HD3 PRO A 43 12.863 4.168 -1.767 1.00 10.00 H new ATOM 696 N VAL A 44 11.507 -0.300 1.078 1.00 10.00 N ATOM 697 CA VAL A 44 10.649 -0.950 2.101 1.00 10.00 C ATOM 698 C VAL A 44 10.953 -0.473 3.526 1.00 10.00 C ATOM 699 O VAL A 44 10.031 -0.269 4.317 1.00 10.00 O ATOM 700 CB VAL A 44 10.707 -2.489 1.974 1.00 10.00 C ATOM 701 CG1 VAL A 44 10.259 -3.266 3.221 1.00 10.00 C ATOM 702 CG2 VAL A 44 9.781 -2.919 0.832 1.00 10.00 C ATOM 0 H VAL A 44 12.020 -0.962 0.496 1.00 10.00 H new ATOM 0 HA VAL A 44 9.624 -0.639 1.901 1.00 10.00 H new ATOM 0 HB VAL A 44 11.758 -2.725 1.807 1.00 10.00 H new ATOM 0 HG11 VAL A 44 10.337 -4.336 3.030 1.00 10.00 H new ATOM 0 HG12 VAL A 44 10.897 -3.000 4.064 1.00 10.00 H new ATOM 0 HG13 VAL A 44 9.225 -3.013 3.455 1.00 10.00 H new ATOM 0 HG21 VAL A 44 9.810 -4.004 0.729 1.00 10.00 H new ATOM 0 HG22 VAL A 44 8.761 -2.603 1.052 1.00 10.00 H new ATOM 0 HG23 VAL A 44 10.112 -2.457 -0.098 1.00 10.00 H new ATOM 712 N ALA A 45 12.226 -0.213 3.826 1.00 10.00 N ATOM 713 CA ALA A 45 12.703 0.315 5.107 1.00 10.00 C ATOM 714 C ALA A 45 12.321 1.787 5.403 1.00 10.00 C ATOM 715 O ALA A 45 12.618 2.282 6.494 1.00 10.00 O ATOM 716 CB ALA A 45 14.223 0.133 5.116 1.00 10.00 C ATOM 0 H ALA A 45 12.982 -0.370 3.160 1.00 10.00 H new ATOM 0 HA ALA A 45 12.208 -0.239 5.904 1.00 10.00 H new ATOM 0 HB1 ALA A 45 14.629 0.512 6.054 1.00 10.00 H new ATOM 0 HB2 ALA A 45 14.463 -0.926 5.018 1.00 10.00 H new ATOM 0 HB3 ALA A 45 14.660 0.683 4.282 1.00 10.00 H new ATOM 722 N GLY A 46 11.693 2.501 4.458 1.00 10.00 N ATOM 723 CA GLY A 46 11.388 3.935 4.568 1.00 10.00 C ATOM 724 C GLY A 46 10.030 4.382 4.002 1.00 10.00 C ATOM 725 O GLY A 46 9.561 5.467 4.351 1.00 10.00 O ATOM 0 H GLY A 46 11.377 2.091 3.579 1.00 10.00 H new ATOM 0 HA2 GLY A 46 11.430 4.215 5.621 1.00 10.00 H new ATOM 0 HA3 GLY A 46 12.173 4.493 4.058 1.00 10.00 H new ATOM 729 N GLN A 47 9.370 3.577 3.161 1.00 10.00 N ATOM 730 CA GLN A 47 8.030 3.904 2.642 1.00 10.00 C ATOM 731 C GLN A 47 6.897 3.620 3.657 1.00 10.00 C ATOM 732 O GLN A 47 6.972 2.678 4.457 1.00 10.00 O ATOM 733 CB GLN A 47 7.774 3.240 1.274 1.00 10.00 C ATOM 734 CG GLN A 47 7.579 1.720 1.332 1.00 10.00 C ATOM 735 CD GLN A 47 7.066 1.149 0.014 1.00 10.00 C ATOM 736 OE1 GLN A 47 5.935 1.381 -0.388 1.00 10.00 O ATOM 737 NE2 GLN A 47 7.840 0.353 -0.690 1.00 10.00 N ATOM 0 H GLN A 47 9.742 2.690 2.822 1.00 10.00 H new ATOM 0 HA GLN A 47 8.016 4.983 2.486 1.00 10.00 H new ATOM 0 HB2 GLN A 47 6.888 3.690 0.826 1.00 10.00 H new ATOM 0 HB3 GLN A 47 8.613 3.461 0.614 1.00 10.00 H new ATOM 0 HG2 GLN A 47 8.526 1.244 1.587 1.00 10.00 H new ATOM 0 HG3 GLN A 47 6.876 1.477 2.128 1.00 10.00 H new ATOM 0 HE21 GLN A 47 8.787 0.148 -0.370 1.00 10.00 H new ATOM 0 HE22 GLN A 47 7.494 -0.060 -1.556 1.00 10.00 H new ATOM 746 N LYS A 48 5.824 4.414 3.573 1.00 10.00 N ATOM 747 CA LYS A 48 4.642 4.442 4.458 1.00 10.00 C ATOM 748 C LYS A 48 3.364 4.645 3.626 1.00 10.00 C ATOM 749 O LYS A 48 3.446 5.101 2.489 1.00 10.00 O ATOM 750 CB LYS A 48 4.865 5.578 5.475 1.00 10.00 C ATOM 751 CG LYS A 48 3.883 5.566 6.656 1.00 10.00 C ATOM 752 CD LYS A 48 4.271 6.657 7.662 1.00 10.00 C ATOM 753 CE LYS A 48 3.344 6.697 8.887 1.00 10.00 C ATOM 754 NZ LYS A 48 3.564 5.542 9.799 1.00 10.00 N ATOM 0 H LYS A 48 5.748 5.109 2.830 1.00 10.00 H new ATOM 0 HA LYS A 48 4.515 3.499 4.990 1.00 10.00 H new ATOM 0 HB2 LYS A 48 5.882 5.510 5.862 1.00 10.00 H new ATOM 0 HB3 LYS A 48 4.783 6.534 4.959 1.00 10.00 H new ATOM 0 HG2 LYS A 48 2.867 5.732 6.298 1.00 10.00 H new ATOM 0 HG3 LYS A 48 3.894 4.590 7.141 1.00 10.00 H new ATOM 0 HD2 LYS A 48 5.296 6.491 7.993 1.00 10.00 H new ATOM 0 HD3 LYS A 48 4.250 7.627 7.165 1.00 10.00 H new ATOM 0 HE2 LYS A 48 3.508 7.625 9.434 1.00 10.00 H new ATOM 0 HE3 LYS A 48 2.306 6.702 8.554 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 2.917 5.612 10.610 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 3.382 4.655 9.287 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 4.547 5.550 10.139 1.00 10.00 H new ATOM 768 N LEU A 49 2.186 4.310 4.160 1.00 10.00 N ATOM 769 CA LEU A 49 0.904 4.379 3.441 1.00 10.00 C ATOM 770 C LEU A 49 -0.225 4.998 4.291 1.00 10.00 C ATOM 771 O LEU A 49 -0.249 4.872 5.517 1.00 10.00 O ATOM 772 CB LEU A 49 0.472 2.973 2.973 1.00 10.00 C ATOM 773 CG LEU A 49 1.363 2.337 1.889 1.00 10.00 C ATOM 774 CD1 LEU A 49 2.477 1.452 2.458 1.00 10.00 C ATOM 775 CD2 LEU A 49 0.516 1.438 0.989 1.00 10.00 C ATOM 0 H LEU A 49 2.091 3.977 5.120 1.00 10.00 H new ATOM 0 HA LEU A 49 1.068 5.029 2.581 1.00 10.00 H new ATOM 0 HB2 LEU A 49 0.452 2.310 3.838 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -0.548 3.032 2.593 1.00 10.00 H new ATOM 0 HG LEU A 49 1.812 3.171 1.350 1.00 10.00 H new ATOM 0 HD11 LEU A 49 3.065 1.037 1.640 1.00 10.00 H new ATOM 0 HD12 LEU A 49 3.122 2.049 3.103 1.00 10.00 H new ATOM 0 HD13 LEU A 49 2.037 0.640 3.037 1.00 10.00 H new ATOM 0 HD21 LEU A 49 1.149 0.990 0.223 1.00 10.00 H new ATOM 0 HD22 LEU A 49 0.058 0.651 1.588 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -0.264 2.032 0.513 1.00 10.00 H new ATOM 787 N ILE A 50 -1.205 5.597 3.605 1.00 10.00 N ATOM 788 CA ILE A 50 -2.413 6.236 4.156 1.00 10.00 C ATOM 789 C ILE A 50 -3.651 5.825 3.350 1.00 10.00 C ATOM 790 O ILE A 50 -3.647 5.927 2.124 1.00 10.00 O ATOM 791 CB ILE A 50 -2.257 7.783 4.132 1.00 10.00 C ATOM 792 CG1 ILE A 50 -1.293 8.318 5.214 1.00 10.00 C ATOM 793 CG2 ILE A 50 -3.602 8.527 4.254 1.00 10.00 C ATOM 794 CD1 ILE A 50 -1.790 8.143 6.655 1.00 10.00 C ATOM 0 H ILE A 50 -1.177 5.654 2.587 1.00 10.00 H new ATOM 0 HA ILE A 50 -2.540 5.906 5.187 1.00 10.00 H new ATOM 0 HB ILE A 50 -1.827 7.988 3.152 1.00 10.00 H new ATOM 0 HG12 ILE A 50 -0.334 7.811 5.110 1.00 10.00 H new ATOM 0 HG13 ILE A 50 -1.115 9.378 5.031 1.00 10.00 H new ATOM 0 HG21 ILE A 50 -3.426 9.602 4.231 1.00 10.00 H new ATOM 0 HG22 ILE A 50 -4.249 8.247 3.423 1.00 10.00 H new ATOM 0 HG23 ILE A 50 -4.083 8.258 5.195 1.00 10.00 H new ATOM 0 HD11 ILE A 50 -1.050 8.546 7.347 1.00 10.00 H new ATOM 0 HD12 ILE A 50 -2.733 8.675 6.782 1.00 10.00 H new ATOM 0 HD13 ILE A 50 -1.940 7.083 6.862 1.00 10.00 H new ATOM 806 N TYR A 51 -4.749 5.466 4.020 1.00 10.00 N ATOM 807 CA TYR A 51 -6.062 5.255 3.390 1.00 10.00 C ATOM 808 C TYR A 51 -7.015 6.403 3.743 1.00 10.00 C ATOM 809 O TYR A 51 -7.760 6.335 4.720 1.00 10.00 O ATOM 810 CB TYR A 51 -6.620 3.866 3.742 1.00 10.00 C ATOM 811 CG TYR A 51 -7.965 3.517 3.120 1.00 10.00 C ATOM 812 CD1 TYR A 51 -8.184 3.690 1.736 1.00 10.00 C ATOM 813 CD2 TYR A 51 -8.991 2.980 3.922 1.00 10.00 C ATOM 814 CE1 TYR A 51 -9.422 3.338 1.165 1.00 10.00 C ATOM 815 CE2 TYR A 51 -10.230 2.624 3.353 1.00 10.00 C ATOM 816 CZ TYR A 51 -10.450 2.806 1.971 1.00 10.00 C ATOM 817 OH TYR A 51 -11.636 2.439 1.407 1.00 10.00 O ATOM 0 H TYR A 51 -4.755 5.311 5.028 1.00 10.00 H new ATOM 0 HA TYR A 51 -5.949 5.269 2.306 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -5.893 3.114 3.435 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -6.713 3.796 4.826 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -7.399 4.094 1.113 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -8.827 2.840 4.980 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -9.585 3.476 0.106 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -11.011 2.212 3.975 1.00 10.00 H new ATOM 0 HH TYR A 51 -12.234 2.091 2.101 1.00 10.00 H new ATOM 827 N ALA A 52 -6.924 7.494 2.971 1.00 10.00 N ATOM 828 CA ALA A 52 -7.766 8.700 3.040 1.00 10.00 C ATOM 829 C ALA A 52 -7.941 9.339 4.446 1.00 10.00 C ATOM 830 O ALA A 52 -8.930 10.032 4.699 1.00 10.00 O ATOM 831 CB ALA A 52 -9.096 8.387 2.332 1.00 10.00 C ATOM 0 H ALA A 52 -6.219 7.564 2.237 1.00 10.00 H new ATOM 0 HA ALA A 52 -7.237 9.499 2.520 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.742 9.264 2.367 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.901 8.121 1.293 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.588 7.554 2.834 1.00 10.00 H new ATOM 837 N GLY A 53 -6.997 9.099 5.366 1.00 10.00 N ATOM 838 CA GLY A 53 -7.028 9.575 6.758 1.00 10.00 C ATOM 839 C GLY A 53 -6.659 8.519 7.811 1.00 10.00 C ATOM 840 O GLY A 53 -6.456 8.873 8.975 1.00 10.00 O ATOM 0 H GLY A 53 -6.163 8.550 5.156 1.00 10.00 H new ATOM 0 HA2 GLY A 53 -6.343 10.417 6.854 1.00 10.00 H new ATOM 0 HA3 GLY A 53 -8.028 9.951 6.976 1.00 10.00 H new ATOM 844 N LYS A 54 -6.545 7.239 7.425 1.00 10.00 N ATOM 845 CA LYS A 54 -6.144 6.122 8.305 1.00 10.00 C ATOM 846 C LYS A 54 -4.670 5.799 8.088 1.00 10.00 C ATOM 847 O LYS A 54 -4.202 5.828 6.950 1.00 10.00 O ATOM 848 CB LYS A 54 -6.971 4.851 8.025 1.00 10.00 C ATOM 849 CG LYS A 54 -8.489 5.077 8.025 1.00 10.00 C ATOM 850 CD LYS A 54 -9.256 3.748 8.021 1.00 10.00 C ATOM 851 CE LYS A 54 -10.743 4.011 7.750 1.00 10.00 C ATOM 852 NZ LYS A 54 -11.539 2.757 7.784 1.00 10.00 N ATOM 0 H LYS A 54 -6.733 6.941 6.468 1.00 10.00 H new ATOM 0 HA LYS A 54 -6.322 6.435 9.334 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -6.675 4.444 7.058 1.00 10.00 H new ATOM 0 HB3 LYS A 54 -6.727 4.099 8.775 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -8.771 5.658 8.903 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -8.771 5.663 7.150 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -8.849 3.084 7.258 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -9.135 3.244 8.980 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -11.130 4.708 8.493 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -10.857 4.488 6.776 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -12.477 2.930 7.370 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -11.050 2.020 7.237 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -11.648 2.442 8.769 1.00 10.00 H new ATOM 866 N ILE A 55 -3.970 5.412 9.152 1.00 10.00 N ATOM 867 CA ILE A 55 -2.545 5.059 9.114 1.00 10.00 C ATOM 868 C ILE A 55 -2.472 3.531 9.060 1.00 10.00 C ATOM 869 O ILE A 55 -2.880 2.837 9.996 1.00 10.00 O ATOM 870 CB ILE A 55 -1.777 5.641 10.333 1.00 10.00 C ATOM 871 CG1 ILE A 55 -1.601 7.178 10.310 1.00 10.00 C ATOM 872 CG2 ILE A 55 -0.354 5.049 10.405 1.00 10.00 C ATOM 873 CD1 ILE A 55 -2.881 8.022 10.358 1.00 10.00 C ATOM 0 H ILE A 55 -4.380 5.332 10.082 1.00 10.00 H new ATOM 0 HA ILE A 55 -2.061 5.492 8.239 1.00 10.00 H new ATOM 0 HB ILE A 55 -2.394 5.373 11.191 1.00 10.00 H new ATOM 0 HG12 ILE A 55 -0.976 7.461 11.157 1.00 10.00 H new ATOM 0 HG13 ILE A 55 -1.053 7.444 9.406 1.00 10.00 H new ATOM 0 HG21 ILE A 55 0.171 5.467 11.264 1.00 10.00 H new ATOM 0 HG22 ILE A 55 -0.415 3.966 10.509 1.00 10.00 H new ATOM 0 HG23 ILE A 55 0.189 5.296 9.493 1.00 10.00 H new ATOM 0 HD11 ILE A 55 -2.620 9.080 10.336 1.00 10.00 H new ATOM 0 HD12 ILE A 55 -3.506 7.784 9.497 1.00 10.00 H new ATOM 0 HD13 ILE A 55 -3.428 7.802 11.275 1.00 10.00 H new ATOM 885 N LEU A 56 -2.005 3.013 7.923 1.00 10.00 N ATOM 886 CA LEU A 56 -1.954 1.580 7.631 1.00 10.00 C ATOM 887 C LEU A 56 -0.781 0.924 8.385 1.00 10.00 C ATOM 888 O LEU A 56 0.371 0.964 7.943 1.00 10.00 O ATOM 889 CB LEU A 56 -1.922 1.369 6.104 1.00 10.00 C ATOM 890 CG LEU A 56 -3.104 1.994 5.332 1.00 10.00 C ATOM 891 CD1 LEU A 56 -3.103 1.466 3.896 1.00 10.00 C ATOM 892 CD2 LEU A 56 -4.466 1.674 5.951 1.00 10.00 C ATOM 0 H LEU A 56 -1.644 3.590 7.164 1.00 10.00 H new ATOM 0 HA LEU A 56 -2.852 1.079 7.993 1.00 10.00 H new ATOM 0 HB2 LEU A 56 -0.993 1.785 5.715 1.00 10.00 H new ATOM 0 HB3 LEU A 56 -1.901 0.298 5.901 1.00 10.00 H new ATOM 0 HG LEU A 56 -2.964 3.074 5.370 1.00 10.00 H new ATOM 0 HD11 LEU A 56 -3.936 1.904 3.347 1.00 10.00 H new ATOM 0 HD12 LEU A 56 -2.165 1.736 3.410 1.00 10.00 H new ATOM 0 HD13 LEU A 56 -3.207 0.381 3.907 1.00 10.00 H new ATOM 0 HD21 LEU A 56 -5.253 2.143 5.361 1.00 10.00 H new ATOM 0 HD22 LEU A 56 -4.616 0.594 5.963 1.00 10.00 H new ATOM 0 HD23 LEU A 56 -4.501 2.056 6.971 1.00 10.00 H new ATOM 904 N ASN A 57 -1.077 0.386 9.570 1.00 10.00 N ATOM 905 CA ASN A 57 -0.117 -0.193 10.509 1.00 10.00 C ATOM 906 C ASN A 57 0.592 -1.430 9.925 1.00 10.00 C ATOM 907 O ASN A 57 -0.050 -2.363 9.444 1.00 10.00 O ATOM 908 CB ASN A 57 -0.867 -0.532 11.809 1.00 10.00 C ATOM 909 CG ASN A 57 0.084 -1.062 12.872 1.00 10.00 C ATOM 910 OD1 ASN A 57 1.059 -0.420 13.230 1.00 10.00 O ATOM 911 ND2 ASN A 57 -0.129 -2.250 13.395 1.00 10.00 N ATOM 0 H ASN A 57 -2.036 0.341 9.916 1.00 10.00 H new ATOM 0 HA ASN A 57 0.672 0.531 10.712 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -1.374 0.358 12.182 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -1.638 -1.275 11.604 1.00 10.00 H new ATOM 0 HD21 ASN A 57 0.516 -2.624 14.091 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -0.940 -2.797 13.105 1.00 10.00 H new ATOM 918 N ASP A 58 1.924 -1.468 10.003 1.00 10.00 N ATOM 919 CA ASP A 58 2.734 -2.501 9.342 1.00 10.00 C ATOM 920 C ASP A 58 2.376 -3.944 9.731 1.00 10.00 C ATOM 921 O ASP A 58 2.482 -4.851 8.906 1.00 10.00 O ATOM 922 CB ASP A 58 4.224 -2.213 9.582 1.00 10.00 C ATOM 923 CG ASP A 58 4.725 -2.645 10.971 1.00 10.00 C ATOM 924 OD1 ASP A 58 4.582 -1.860 11.936 1.00 10.00 O ATOM 925 OD2 ASP A 58 5.275 -3.768 11.088 1.00 10.00 O ATOM 0 H ASP A 58 2.474 -0.786 10.525 1.00 10.00 H new ATOM 0 HA ASP A 58 2.504 -2.441 8.278 1.00 10.00 H new ATOM 0 HB2 ASP A 58 4.811 -2.725 8.819 1.00 10.00 H new ATOM 0 HB3 ASP A 58 4.402 -1.145 9.458 1.00 10.00 H new ATOM 930 N ASP A 59 1.903 -4.142 10.964 1.00 10.00 N ATOM 931 CA ASP A 59 1.670 -5.451 11.586 1.00 10.00 C ATOM 932 C ASP A 59 0.175 -5.802 11.765 1.00 10.00 C ATOM 933 O ASP A 59 -0.148 -6.787 12.434 1.00 10.00 O ATOM 934 CB ASP A 59 2.443 -5.496 12.917 1.00 10.00 C ATOM 935 CG ASP A 59 2.829 -6.928 13.318 1.00 10.00 C ATOM 936 OD1 ASP A 59 3.574 -7.575 12.540 1.00 10.00 O ATOM 937 OD2 ASP A 59 2.456 -7.386 14.424 1.00 10.00 O ATOM 0 H ASP A 59 1.662 -3.366 11.581 1.00 10.00 H new ATOM 0 HA ASP A 59 2.042 -6.222 10.911 1.00 10.00 H new ATOM 0 HB2 ASP A 59 3.344 -4.889 12.832 1.00 10.00 H new ATOM 0 HB3 ASP A 59 1.833 -5.052 13.704 1.00 10.00 H new ATOM 942 N THR A 60 -0.740 -5.037 11.151 1.00 10.00 N ATOM 943 CA THR A 60 -2.198 -5.275 11.202 1.00 10.00 C ATOM 944 C THR A 60 -2.754 -5.554 9.799 1.00 10.00 C ATOM 945 O THR A 60 -2.287 -4.999 8.801 1.00 10.00 O ATOM 946 CB THR A 60 -2.927 -4.122 11.921 1.00 10.00 C ATOM 947 OG1 THR A 60 -2.482 -4.036 13.259 1.00 10.00 O ATOM 948 CG2 THR A 60 -4.447 -4.276 11.956 1.00 10.00 C ATOM 0 H THR A 60 -0.487 -4.220 10.594 1.00 10.00 H new ATOM 0 HA THR A 60 -2.384 -6.170 11.796 1.00 10.00 H new ATOM 0 HB THR A 60 -2.692 -3.225 11.348 1.00 10.00 H new ATOM 0 HG1 THR A 60 -2.946 -3.301 13.712 1.00 10.00 H new ATOM 0 HG21 THR A 60 -4.887 -3.426 12.478 1.00 10.00 H new ATOM 0 HG22 THR A 60 -4.832 -4.315 10.937 1.00 10.00 H new ATOM 0 HG23 THR A 60 -4.707 -5.197 12.478 1.00 10.00 H new ATOM 956 N ALA A 61 -3.710 -6.485 9.715 1.00 10.00 N ATOM 957 CA ALA A 61 -4.229 -7.040 8.463 1.00 10.00 C ATOM 958 C ALA A 61 -5.066 -6.050 7.630 1.00 10.00 C ATOM 959 O ALA A 61 -5.864 -5.281 8.171 1.00 10.00 O ATOM 960 CB ALA A 61 -5.035 -8.298 8.798 1.00 10.00 C ATOM 0 H ALA A 61 -4.156 -6.884 10.541 1.00 10.00 H new ATOM 0 HA ALA A 61 -3.376 -7.278 7.827 1.00 10.00 H new ATOM 0 HB1 ALA A 61 -5.433 -8.730 7.880 1.00 10.00 H new ATOM 0 HB2 ALA A 61 -4.388 -9.024 9.291 1.00 10.00 H new ATOM 0 HB3 ALA A 61 -5.859 -8.036 9.462 1.00 10.00 H new ATOM 966 N LEU A 62 -4.937 -6.130 6.301 1.00 10.00 N ATOM 967 CA LEU A 62 -5.593 -5.277 5.305 1.00 10.00 C ATOM 968 C LEU A 62 -7.107 -5.066 5.497 1.00 10.00 C ATOM 969 O LEU A 62 -7.595 -3.945 5.333 1.00 10.00 O ATOM 970 CB LEU A 62 -5.290 -5.894 3.924 1.00 10.00 C ATOM 971 CG LEU A 62 -4.134 -5.246 3.151 1.00 10.00 C ATOM 972 CD1 LEU A 62 -4.577 -3.898 2.576 1.00 10.00 C ATOM 973 CD2 LEU A 62 -2.845 -5.034 3.944 1.00 10.00 C ATOM 0 H LEU A 62 -4.338 -6.832 5.867 1.00 10.00 H new ATOM 0 HA LEU A 62 -5.189 -4.270 5.414 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -5.066 -6.952 4.059 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -6.191 -5.835 3.313 1.00 10.00 H new ATOM 0 HG LEU A 62 -3.893 -5.967 2.369 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -3.749 -3.446 2.029 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -5.419 -4.050 1.900 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -4.879 -3.237 3.389 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -2.095 -4.571 3.303 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -3.045 -4.385 4.796 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -2.474 -5.995 4.299 1.00 10.00 H new ATOM 985 N LYS A 63 -7.858 -6.112 5.853 1.00 10.00 N ATOM 986 CA LYS A 63 -9.314 -6.013 6.065 1.00 10.00 C ATOM 987 C LYS A 63 -9.739 -5.148 7.260 1.00 10.00 C ATOM 988 O LYS A 63 -10.857 -4.641 7.272 1.00 10.00 O ATOM 989 CB LYS A 63 -9.951 -7.416 6.105 1.00 10.00 C ATOM 990 CG LYS A 63 -10.004 -8.130 7.468 1.00 10.00 C ATOM 991 CD LYS A 63 -8.648 -8.365 8.154 1.00 10.00 C ATOM 992 CE LYS A 63 -8.820 -8.872 9.596 1.00 10.00 C ATOM 993 NZ LYS A 63 -9.468 -10.208 9.660 1.00 10.00 N ATOM 0 H LYS A 63 -7.482 -7.048 6.003 1.00 10.00 H new ATOM 0 HA LYS A 63 -9.702 -5.472 5.202 1.00 10.00 H new ATOM 0 HB2 LYS A 63 -10.970 -7.334 5.727 1.00 10.00 H new ATOM 0 HB3 LYS A 63 -9.404 -8.054 5.411 1.00 10.00 H new ATOM 0 HG2 LYS A 63 -10.633 -7.545 8.139 1.00 10.00 H new ATOM 0 HG3 LYS A 63 -10.493 -9.095 7.333 1.00 10.00 H new ATOM 0 HD2 LYS A 63 -8.071 -9.090 7.580 1.00 10.00 H new ATOM 0 HD3 LYS A 63 -8.078 -7.436 8.160 1.00 10.00 H new ATOM 0 HE2 LYS A 63 -7.844 -8.923 10.078 1.00 10.00 H new ATOM 0 HE3 LYS A 63 -9.417 -8.156 10.160 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 -9.652 -10.457 10.653 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 -10.367 -10.183 9.137 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 -8.839 -10.919 9.235 1.00 10.00 H new ATOM 1007 N GLU A 64 -8.870 -4.945 8.252 1.00 10.00 N ATOM 1008 CA GLU A 64 -9.177 -4.194 9.476 1.00 10.00 C ATOM 1009 C GLU A 64 -9.391 -2.696 9.197 1.00 10.00 C ATOM 1010 O GLU A 64 -10.162 -2.024 9.886 1.00 10.00 O ATOM 1011 CB GLU A 64 -8.021 -4.415 10.468 1.00 10.00 C ATOM 1012 CG GLU A 64 -8.349 -4.031 11.915 1.00 10.00 C ATOM 1013 CD GLU A 64 -9.442 -4.933 12.524 1.00 10.00 C ATOM 1014 OE1 GLU A 64 -9.157 -6.116 12.829 1.00 10.00 O ATOM 1015 OE2 GLU A 64 -10.594 -4.468 12.702 1.00 10.00 O ATOM 0 H GLU A 64 -7.915 -5.303 8.229 1.00 10.00 H new ATOM 0 HA GLU A 64 -10.114 -4.557 9.899 1.00 10.00 H new ATOM 0 HB2 GLU A 64 -7.730 -5.465 10.440 1.00 10.00 H new ATOM 0 HB3 GLU A 64 -7.159 -3.836 10.137 1.00 10.00 H new ATOM 0 HG2 GLU A 64 -7.445 -4.099 12.521 1.00 10.00 H new ATOM 0 HG3 GLU A 64 -8.678 -2.992 11.948 1.00 10.00 H new ATOM 1022 N TYR A 65 -8.760 -2.185 8.134 1.00 10.00 N ATOM 1023 CA TYR A 65 -8.911 -0.802 7.656 1.00 10.00 C ATOM 1024 C TYR A 65 -10.134 -0.613 6.739 1.00 10.00 C ATOM 1025 O TYR A 65 -10.460 0.522 6.374 1.00 10.00 O ATOM 1026 CB TYR A 65 -7.642 -0.360 6.916 1.00 10.00 C ATOM 1027 CG TYR A 65 -6.353 -0.799 7.577 1.00 10.00 C ATOM 1028 CD1 TYR A 65 -5.940 -0.235 8.800 1.00 10.00 C ATOM 1029 CD2 TYR A 65 -5.591 -1.816 6.972 1.00 10.00 C ATOM 1030 CE1 TYR A 65 -4.766 -0.694 9.417 1.00 10.00 C ATOM 1031 CE2 TYR A 65 -4.424 -2.287 7.592 1.00 10.00 C ATOM 1032 CZ TYR A 65 -4.009 -1.711 8.805 1.00 10.00 C ATOM 1033 OH TYR A 65 -2.866 -2.118 9.390 1.00 10.00 O ATOM 0 H TYR A 65 -8.114 -2.734 7.567 1.00 10.00 H new ATOM 0 HA TYR A 65 -9.070 -0.182 8.538 1.00 10.00 H new ATOM 0 HB2 TYR A 65 -7.670 -0.757 5.901 1.00 10.00 H new ATOM 0 HB3 TYR A 65 -7.643 0.727 6.834 1.00 10.00 H new ATOM 0 HD1 TYR A 65 -6.524 0.547 9.261 1.00 10.00 H new ATOM 0 HD2 TYR A 65 -5.906 -2.235 6.028 1.00 10.00 H new ATOM 0 HE1 TYR A 65 -4.445 -0.269 10.357 1.00 10.00 H new ATOM 0 HE2 TYR A 65 -3.851 -3.084 7.142 1.00 10.00 H new ATOM 0 HH TYR A 65 -2.661 -3.033 9.106 1.00 10.00 H new ATOM 1043 N LYS A 66 -10.812 -1.712 6.370 1.00 10.00 N ATOM 1044 CA LYS A 66 -11.958 -1.785 5.444 1.00 10.00 C ATOM 1045 C LYS A 66 -11.693 -1.098 4.092 1.00 10.00 C ATOM 1046 O LYS A 66 -12.494 -0.291 3.617 1.00 10.00 O ATOM 1047 CB LYS A 66 -13.246 -1.317 6.159 1.00 10.00 C ATOM 1048 CG LYS A 66 -13.582 -2.101 7.443 1.00 10.00 C ATOM 1049 CD LYS A 66 -14.060 -3.538 7.167 1.00 10.00 C ATOM 1050 CE LYS A 66 -14.199 -4.364 8.454 1.00 10.00 C ATOM 1051 NZ LYS A 66 -15.294 -3.875 9.333 1.00 10.00 N ATOM 0 H LYS A 66 -10.560 -2.632 6.732 1.00 10.00 H new ATOM 0 HA LYS A 66 -12.109 -2.828 5.167 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -13.145 -0.261 6.409 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -14.083 -1.402 5.466 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -12.700 -2.135 8.082 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -14.355 -1.567 7.995 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -15.021 -3.506 6.653 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -13.356 -4.030 6.496 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -14.385 -5.406 8.194 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -13.258 -4.336 9.003 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -15.344 -4.467 10.187 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -15.106 -2.889 9.606 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -16.198 -3.926 8.822 1.00 10.00 H new ATOM 1065 N ILE A 67 -10.537 -1.403 3.489 1.00 10.00 N ATOM 1066 CA ILE A 67 -10.162 -0.910 2.150 1.00 10.00 C ATOM 1067 C ILE A 67 -11.098 -1.514 1.087 1.00 10.00 C ATOM 1068 O ILE A 67 -11.546 -2.656 1.218 1.00 10.00 O ATOM 1069 CB ILE A 67 -8.664 -1.165 1.853 1.00 10.00 C ATOM 1070 CG1 ILE A 67 -7.808 -0.667 3.045 1.00 10.00 C ATOM 1071 CG2 ILE A 67 -8.251 -0.487 0.531 1.00 10.00 C ATOM 1072 CD1 ILE A 67 -6.311 -0.489 2.791 1.00 10.00 C ATOM 0 H ILE A 67 -9.829 -2.001 3.915 1.00 10.00 H new ATOM 0 HA ILE A 67 -10.290 0.172 2.119 1.00 10.00 H new ATOM 0 HB ILE A 67 -8.494 -2.235 1.733 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -8.212 0.289 3.378 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -7.932 -1.370 3.869 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -7.195 -0.677 0.339 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -8.847 -0.891 -0.287 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -8.418 0.587 0.605 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -5.827 -0.137 3.702 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -5.876 -1.444 2.494 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -6.161 0.241 1.995 1.00 10.00 H new ATOM 1084 N ASP A 68 -11.394 -0.754 0.028 1.00 10.00 N ATOM 1085 CA ASP A 68 -12.375 -1.101 -1.006 1.00 10.00 C ATOM 1086 C ASP A 68 -11.767 -1.068 -2.422 1.00 10.00 C ATOM 1087 O ASP A 68 -10.945 -0.210 -2.749 1.00 10.00 O ATOM 1088 CB ASP A 68 -13.568 -0.147 -0.870 1.00 10.00 C ATOM 1089 CG ASP A 68 -14.623 -0.397 -1.953 1.00 10.00 C ATOM 1090 OD1 ASP A 68 -14.442 0.126 -3.074 1.00 10.00 O ATOM 1091 OD2 ASP A 68 -15.605 -1.131 -1.691 1.00 10.00 O ATOM 0 H ASP A 68 -10.945 0.146 -0.139 1.00 10.00 H new ATOM 0 HA ASP A 68 -12.708 -2.129 -0.860 1.00 10.00 H new ATOM 0 HB2 ASP A 68 -14.021 -0.269 0.114 1.00 10.00 H new ATOM 0 HB3 ASP A 68 -13.219 0.883 -0.934 1.00 10.00 H new ATOM 1096 N GLU A 69 -12.183 -2.016 -3.266 1.00 10.00 N ATOM 1097 CA GLU A 69 -11.592 -2.302 -4.585 1.00 10.00 C ATOM 1098 C GLU A 69 -11.751 -1.190 -5.644 1.00 10.00 C ATOM 1099 O GLU A 69 -11.074 -1.241 -6.678 1.00 10.00 O ATOM 1100 CB GLU A 69 -12.144 -3.634 -5.124 1.00 10.00 C ATOM 1101 CG GLU A 69 -11.936 -4.808 -4.153 1.00 10.00 C ATOM 1102 CD GLU A 69 -12.120 -6.164 -4.857 1.00 10.00 C ATOM 1103 OE1 GLU A 69 -13.278 -6.547 -5.158 1.00 10.00 O ATOM 1104 OE2 GLU A 69 -11.103 -6.858 -5.098 1.00 10.00 O ATOM 0 H GLU A 69 -12.968 -2.629 -3.046 1.00 10.00 H new ATOM 0 HA GLU A 69 -10.518 -2.363 -4.410 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -13.209 -3.523 -5.329 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -11.659 -3.864 -6.073 1.00 10.00 H new ATOM 0 HG2 GLU A 69 -10.936 -4.753 -3.724 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -12.642 -4.727 -3.327 1.00 10.00 H new ATOM 1111 N LYS A 70 -12.591 -0.173 -5.395 1.00 10.00 N ATOM 1112 CA LYS A 70 -12.756 1.020 -6.256 1.00 10.00 C ATOM 1113 C LYS A 70 -12.421 2.347 -5.553 1.00 10.00 C ATOM 1114 O LYS A 70 -12.585 3.415 -6.146 1.00 10.00 O ATOM 1115 CB LYS A 70 -14.119 0.988 -6.992 1.00 10.00 C ATOM 1116 CG LYS A 70 -15.403 0.969 -6.139 1.00 10.00 C ATOM 1117 CD LYS A 70 -15.579 2.230 -5.286 1.00 10.00 C ATOM 1118 CE LYS A 70 -16.823 2.177 -4.401 1.00 10.00 C ATOM 1119 NZ LYS A 70 -16.865 3.369 -3.513 1.00 10.00 N ATOM 0 H LYS A 70 -13.191 -0.152 -4.570 1.00 10.00 H new ATOM 0 HA LYS A 70 -11.995 0.970 -7.035 1.00 10.00 H new ATOM 0 HB2 LYS A 70 -14.166 1.859 -7.646 1.00 10.00 H new ATOM 0 HB3 LYS A 70 -14.131 0.107 -7.633 1.00 10.00 H new ATOM 0 HG2 LYS A 70 -16.266 0.859 -6.795 1.00 10.00 H new ATOM 0 HG3 LYS A 70 -15.385 0.096 -5.486 1.00 10.00 H new ATOM 0 HD2 LYS A 70 -14.698 2.365 -4.659 1.00 10.00 H new ATOM 0 HD3 LYS A 70 -15.641 3.100 -5.940 1.00 10.00 H new ATOM 0 HE2 LYS A 70 -17.719 2.143 -5.020 1.00 10.00 H new ATOM 0 HE3 LYS A 70 -16.815 1.267 -3.802 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 -17.450 3.160 -2.679 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 -15.900 3.609 -3.208 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 -17.275 4.173 -4.030 1.00 10.00 H new ATOM 1133 N ASN A 71 -11.908 2.284 -4.321 1.00 10.00 N ATOM 1134 CA ASN A 71 -11.320 3.419 -3.599 1.00 10.00 C ATOM 1135 C ASN A 71 -9.781 3.354 -3.727 1.00 10.00 C ATOM 1136 O ASN A 71 -9.240 2.396 -4.292 1.00 10.00 O ATOM 1137 CB ASN A 71 -11.752 3.363 -2.115 1.00 10.00 C ATOM 1138 CG ASN A 71 -13.223 3.642 -1.826 1.00 10.00 C ATOM 1139 OD1 ASN A 71 -14.049 3.926 -2.684 1.00 10.00 O ATOM 1140 ND2 ASN A 71 -13.592 3.595 -0.567 1.00 10.00 N ATOM 0 H ASN A 71 -11.889 1.418 -3.782 1.00 10.00 H new ATOM 0 HA ASN A 71 -11.669 4.360 -4.024 1.00 10.00 H new ATOM 0 HB2 ASN A 71 -11.509 2.374 -1.725 1.00 10.00 H new ATOM 0 HB3 ASN A 71 -11.152 4.082 -1.557 1.00 10.00 H new ATOM 0 HD21 ASN A 71 -14.559 3.794 -0.311 1.00 10.00 H new ATOM 0 HD22 ASN A 71 -12.912 3.359 0.155 1.00 10.00 H new ATOM 1147 N PHE A 72 -9.056 4.357 -3.215 1.00 10.00 N ATOM 1148 CA PHE A 72 -7.591 4.412 -3.306 1.00 10.00 C ATOM 1149 C PHE A 72 -6.872 4.824 -2.011 1.00 10.00 C ATOM 1150 O PHE A 72 -7.444 5.414 -1.093 1.00 10.00 O ATOM 1151 CB PHE A 72 -7.143 5.242 -4.525 1.00 10.00 C ATOM 1152 CG PHE A 72 -7.533 6.708 -4.556 1.00 10.00 C ATOM 1153 CD1 PHE A 72 -6.909 7.637 -3.700 1.00 10.00 C ATOM 1154 CD2 PHE A 72 -8.465 7.160 -5.509 1.00 10.00 C ATOM 1155 CE1 PHE A 72 -7.238 9.002 -3.781 1.00 10.00 C ATOM 1156 CE2 PHE A 72 -8.774 8.526 -5.605 1.00 10.00 C ATOM 1157 CZ PHE A 72 -8.170 9.448 -4.732 1.00 10.00 C ATOM 0 H PHE A 72 -9.468 5.152 -2.727 1.00 10.00 H new ATOM 0 HA PHE A 72 -7.271 3.381 -3.458 1.00 10.00 H new ATOM 0 HB2 PHE A 72 -6.057 5.181 -4.592 1.00 10.00 H new ATOM 0 HB3 PHE A 72 -7.545 4.768 -5.421 1.00 10.00 H new ATOM 0 HD1 PHE A 72 -6.177 7.300 -2.981 1.00 10.00 H new ATOM 0 HD2 PHE A 72 -8.945 6.453 -6.169 1.00 10.00 H new ATOM 0 HE1 PHE A 72 -6.773 9.709 -3.110 1.00 10.00 H new ATOM 0 HE2 PHE A 72 -9.476 8.869 -6.350 1.00 10.00 H new ATOM 0 HZ PHE A 72 -8.422 10.496 -4.793 1.00 10.00 H new ATOM 1167 N VAL A 73 -5.584 4.481 -1.977 1.00 10.00 N ATOM 1168 CA VAL A 73 -4.611 4.595 -0.875 1.00 10.00 C ATOM 1169 C VAL A 73 -3.430 5.430 -1.387 1.00 10.00 C ATOM 1170 O VAL A 73 -3.135 5.401 -2.579 1.00 10.00 O ATOM 1171 CB VAL A 73 -4.150 3.169 -0.487 1.00 10.00 C ATOM 1172 CG1 VAL A 73 -2.953 3.095 0.470 1.00 10.00 C ATOM 1173 CG2 VAL A 73 -5.275 2.345 0.147 1.00 10.00 C ATOM 0 H VAL A 73 -5.145 4.074 -2.803 1.00 10.00 H new ATOM 0 HA VAL A 73 -5.042 5.075 0.003 1.00 10.00 H new ATOM 0 HB VAL A 73 -3.842 2.759 -1.449 1.00 10.00 H new ATOM 0 HG11 VAL A 73 -2.715 2.051 0.675 1.00 10.00 H new ATOM 0 HG12 VAL A 73 -2.091 3.581 0.013 1.00 10.00 H new ATOM 0 HG13 VAL A 73 -3.202 3.600 1.403 1.00 10.00 H new ATOM 0 HG21 VAL A 73 -4.901 1.353 0.401 1.00 10.00 H new ATOM 0 HG22 VAL A 73 -5.626 2.843 1.051 1.00 10.00 H new ATOM 0 HG23 VAL A 73 -6.100 2.252 -0.559 1.00 10.00 H new ATOM 1183 N VAL A 74 -2.738 6.171 -0.521 1.00 10.00 N ATOM 1184 CA VAL A 74 -1.606 7.047 -0.882 1.00 10.00 C ATOM 1185 C VAL A 74 -0.324 6.548 -0.215 1.00 10.00 C ATOM 1186 O VAL A 74 -0.287 6.357 0.997 1.00 10.00 O ATOM 1187 CB VAL A 74 -1.887 8.512 -0.481 1.00 10.00 C ATOM 1188 CG1 VAL A 74 -0.755 9.443 -0.939 1.00 10.00 C ATOM 1189 CG2 VAL A 74 -3.194 9.037 -1.094 1.00 10.00 C ATOM 0 H VAL A 74 -2.949 6.184 0.477 1.00 10.00 H new ATOM 0 HA VAL A 74 -1.479 7.014 -1.964 1.00 10.00 H new ATOM 0 HB VAL A 74 -1.965 8.512 0.606 1.00 10.00 H new ATOM 0 HG11 VAL A 74 -0.983 10.467 -0.642 1.00 10.00 H new ATOM 0 HG12 VAL A 74 0.182 9.131 -0.477 1.00 10.00 H new ATOM 0 HG13 VAL A 74 -0.659 9.393 -2.024 1.00 10.00 H new ATOM 0 HG21 VAL A 74 -3.351 10.070 -0.785 1.00 10.00 H new ATOM 0 HG22 VAL A 74 -3.131 8.988 -2.181 1.00 10.00 H new ATOM 0 HG23 VAL A 74 -4.028 8.425 -0.751 1.00 10.00 H new ATOM 1199 N VAL A 75 0.735 6.354 -1.003 1.00 10.00 N ATOM 1200 CA VAL A 75 2.069 5.924 -0.552 1.00 10.00 C ATOM 1201 C VAL A 75 2.999 7.140 -0.447 1.00 10.00 C ATOM 1202 O VAL A 75 3.014 8.015 -1.319 1.00 10.00 O ATOM 1203 CB VAL A 75 2.684 4.888 -1.518 1.00 10.00 C ATOM 1204 CG1 VAL A 75 3.963 4.260 -0.951 1.00 10.00 C ATOM 1205 CG2 VAL A 75 1.725 3.743 -1.882 1.00 10.00 C ATOM 0 H VAL A 75 0.690 6.496 -2.012 1.00 10.00 H new ATOM 0 HA VAL A 75 1.958 5.456 0.426 1.00 10.00 H new ATOM 0 HB VAL A 75 2.907 5.461 -2.418 1.00 10.00 H new ATOM 0 HG11 VAL A 75 4.361 3.538 -1.664 1.00 10.00 H new ATOM 0 HG12 VAL A 75 4.703 5.040 -0.773 1.00 10.00 H new ATOM 0 HG13 VAL A 75 3.735 3.755 -0.012 1.00 10.00 H new ATOM 0 HG21 VAL A 75 2.224 3.054 -2.563 1.00 10.00 H new ATOM 0 HG22 VAL A 75 1.433 3.211 -0.976 1.00 10.00 H new ATOM 0 HG23 VAL A 75 0.837 4.152 -2.365 1.00 10.00 H new ATOM 1215 N MET A 76 3.798 7.173 0.615 1.00 10.00 N ATOM 1216 CA MET A 76 4.720 8.250 0.991 1.00 10.00 C ATOM 1217 C MET A 76 6.105 7.659 1.307 1.00 10.00 C ATOM 1218 O MET A 76 6.213 6.477 1.637 1.00 10.00 O ATOM 1219 CB MET A 76 4.149 9.004 2.204 1.00 10.00 C ATOM 1220 CG MET A 76 2.755 9.591 1.934 1.00 10.00 C ATOM 1221 SD MET A 76 2.020 10.464 3.341 1.00 10.00 S ATOM 1222 CE MET A 76 0.378 10.801 2.644 1.00 10.00 C ATOM 0 H MET A 76 3.824 6.401 1.281 1.00 10.00 H new ATOM 0 HA MET A 76 4.832 8.953 0.166 1.00 10.00 H new ATOM 0 HB2 MET A 76 4.095 8.326 3.056 1.00 10.00 H new ATOM 0 HB3 MET A 76 4.830 9.809 2.480 1.00 10.00 H new ATOM 0 HG2 MET A 76 2.822 10.279 1.091 1.00 10.00 H new ATOM 0 HG3 MET A 76 2.087 8.784 1.635 1.00 10.00 H new ATOM 0 HE1 MET A 76 -0.224 11.339 3.376 1.00 10.00 H new ATOM 0 HE2 MET A 76 0.482 11.406 1.744 1.00 10.00 H new ATOM 0 HE3 MET A 76 -0.111 9.860 2.394 1.00 10.00 H new ATOM 1232 N VAL A 77 7.173 8.456 1.209 1.00 10.00 N ATOM 1233 CA VAL A 77 8.569 7.987 1.344 1.00 10.00 C ATOM 1234 C VAL A 77 9.410 8.993 2.137 1.00 10.00 C ATOM 1235 O VAL A 77 9.285 10.209 1.968 1.00 10.00 O ATOM 1236 CB VAL A 77 9.201 7.717 -0.044 1.00 10.00 C ATOM 1237 CG1 VAL A 77 10.648 7.210 0.060 1.00 10.00 C ATOM 1238 CG2 VAL A 77 8.427 6.658 -0.844 1.00 10.00 C ATOM 0 H VAL A 77 7.099 9.458 1.032 1.00 10.00 H new ATOM 0 HA VAL A 77 8.554 7.047 1.896 1.00 10.00 H new ATOM 0 HB VAL A 77 9.167 8.682 -0.550 1.00 10.00 H new ATOM 0 HG11 VAL A 77 11.045 7.036 -0.940 1.00 10.00 H new ATOM 0 HG12 VAL A 77 11.259 7.956 0.569 1.00 10.00 H new ATOM 0 HG13 VAL A 77 10.667 6.278 0.625 1.00 10.00 H new ATOM 0 HG21 VAL A 77 8.911 6.506 -1.809 1.00 10.00 H new ATOM 0 HG22 VAL A 77 8.417 5.719 -0.290 1.00 10.00 H new ATOM 0 HG23 VAL A 77 7.403 6.997 -1.001 1.00 10.00 H new