USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 849 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 44 TYR OH : rot 45:sc= 0.483 USER MOD Set 1.2: A 100 GLN : amide:sc= 0.368 K(o=0.85,f=-3.9!) USER MOD Set 2.1: A 36 SER OG : rot -169:sc= 0.859 USER MOD Set 2.2: A 91 ASN : amide:sc= 0.724 K(o=1.6,f=-1.6) USER MOD Set 3.1: A 83 SER OG : rot -93:sc= 0.088 USER MOD Set 3.2: A 85 ASN :FLIP amide:sc= 0.0291 F(o=-2.5!,f=0.12) USER MOD Set 4.1: A 28 SER OG : rot -1:sc= 0.361 USER MOD Set 4.2: A 67 ASN : amide:sc= 0 X(o=0.36,f=0.1) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 165:sc= -0.0552 (180deg=-0.289) USER MOD Single : A 7 LYS NZ :NH3+ -169:sc= 1.29 (180deg=1.18) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -161:sc= -0.146 (180deg=-0.636) USER MOD Single : A 11 THR OG1 : rot -47:sc= -1.02 USER MOD Single : A 15 LYS NZ :NH3+ 153:sc= 1.27 (180deg=1.11) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.161 K(o=-0.16,f=-1.1) USER MOD Single : A 25 THR OG1 : rot -35:sc= 0.814 USER MOD Single : A 26 SER OG : rot -46:sc= 0.594 USER MOD Single : A 31 HIS : no HE2:sc= -0.0339 K(o=-0.034,f=-0.93) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 151:sc= -0.149 (180deg=-0.785) USER MOD Single : A 37 THR OG1 : rot -47:sc= -0.306! USER MOD Single : A 39 LYS NZ :NH3+ 168:sc= 1.61 (180deg=1.12) USER MOD Single : A 43 LYS NZ :NH3+ -151:sc= -0.416 (180deg=-0.763) USER MOD Single : A 46 HIS : no HE2:sc= 1.09 K(o=1.1,f=-3.7!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN :FLIP amide:sc= -0.795 F(o=-3.1!,f=-0.79) USER MOD Single : A 71 THR OG1 : rot 180:sc=-0.00449 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -154:sc= 1.24 (180deg=1.08) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 152:sc= -0.675 (180deg=-2.6!) USER MOD Single : A 102 GLN :FLIP amide:sc= -0.129 F(o=-0.96,f=-0.13) USER MOD Single : A 104 LYS NZ :NH3+ 143:sc= -0.198 (180deg=-0.653) USER MOD Single : A 110 HIS : no HE2:sc= -0.0778 K(o=-0.078,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 27.719 16.285 -5.070 1.00 0.00 N ATOM 2 CA VAL A 2 27.504 15.001 -5.719 1.00 0.00 C ATOM 3 C VAL A 2 28.419 13.918 -5.135 1.00 0.00 C ATOM 4 O VAL A 2 29.621 13.868 -5.407 1.00 0.00 O ATOM 5 CB VAL A 2 27.689 15.103 -7.254 1.00 0.00 C ATOM 6 CG1 VAL A 2 29.023 15.749 -7.610 1.00 0.00 C ATOM 7 CG2 VAL A 2 27.558 13.731 -7.906 1.00 0.00 C ATOM 0 HA VAL A 2 26.471 14.712 -5.523 1.00 0.00 H new ATOM 0 HB VAL A 2 26.897 15.743 -7.643 1.00 0.00 H new ATOM 0 HG11 VAL A 2 29.122 15.806 -8.694 1.00 0.00 H new ATOM 0 HG12 VAL A 2 29.065 16.753 -7.189 1.00 0.00 H new ATOM 0 HG13 VAL A 2 29.837 15.150 -7.202 1.00 0.00 H new ATOM 0 HG21 VAL A 2 27.691 13.826 -8.984 1.00 0.00 H new ATOM 0 HG22 VAL A 2 28.319 13.063 -7.504 1.00 0.00 H new ATOM 0 HG23 VAL A 2 26.569 13.322 -7.697 1.00 0.00 H new ATOM 17 N ASN A 3 27.835 13.072 -4.300 1.00 0.00 N ATOM 18 CA ASN A 3 28.549 11.946 -3.708 1.00 0.00 C ATOM 19 C ASN A 3 27.720 10.682 -3.877 1.00 0.00 C ATOM 20 O ASN A 3 27.870 9.716 -3.131 1.00 0.00 O ATOM 21 CB ASN A 3 28.823 12.196 -2.217 1.00 0.00 C ATOM 22 CG ASN A 3 29.687 13.420 -1.969 1.00 0.00 C ATOM 23 OD1 ASN A 3 29.181 14.533 -1.833 1.00 0.00 O ATOM 24 ND2 ASN A 3 30.994 13.224 -1.892 1.00 0.00 N ATOM 0 H ASN A 3 26.859 13.144 -4.014 1.00 0.00 H new ATOM 0 HA ASN A 3 29.507 11.830 -4.215 1.00 0.00 H new ATOM 0 HB2 ASN A 3 27.874 12.316 -1.694 1.00 0.00 H new ATOM 0 HB3 ASN A 3 29.313 11.320 -1.792 1.00 0.00 H new ATOM 0 HD21 ASN A 3 31.618 14.011 -1.714 1.00 0.00 H new ATOM 0 HD22 ASN A 3 31.377 12.286 -2.010 1.00 0.00 H new ATOM 31 N PHE A 4 26.855 10.701 -4.881 1.00 0.00 N ATOM 32 CA PHE A 4 25.917 9.615 -5.124 1.00 0.00 C ATOM 33 C PHE A 4 26.309 8.846 -6.381 1.00 0.00 C ATOM 34 O PHE A 4 26.230 9.374 -7.492 1.00 0.00 O ATOM 35 CB PHE A 4 24.507 10.197 -5.263 1.00 0.00 C ATOM 36 CG PHE A 4 23.437 9.181 -5.536 1.00 0.00 C ATOM 37 CD1 PHE A 4 22.924 8.402 -4.512 1.00 0.00 C ATOM 38 CD2 PHE A 4 22.934 9.017 -6.816 1.00 0.00 C ATOM 39 CE1 PHE A 4 21.932 7.475 -4.762 1.00 0.00 C ATOM 40 CE2 PHE A 4 21.942 8.092 -7.073 1.00 0.00 C ATOM 41 CZ PHE A 4 21.442 7.322 -6.042 1.00 0.00 C ATOM 0 H PHE A 4 26.784 11.469 -5.549 1.00 0.00 H new ATOM 0 HA PHE A 4 25.938 8.918 -4.286 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.257 10.732 -4.347 1.00 0.00 H new ATOM 0 HB3 PHE A 4 24.508 10.930 -6.070 1.00 0.00 H new ATOM 0 HD1 PHE A 4 23.304 8.521 -3.508 1.00 0.00 H new ATOM 0 HD2 PHE A 4 23.323 9.620 -7.623 1.00 0.00 H new ATOM 0 HE1 PHE A 4 21.541 6.871 -3.957 1.00 0.00 H new ATOM 0 HE2 PHE A 4 21.559 7.971 -8.076 1.00 0.00 H new ATOM 0 HZ PHE A 4 20.665 6.598 -6.238 1.00 0.00 H new ATOM 51 N LYS A 5 26.760 7.610 -6.205 1.00 0.00 N ATOM 52 CA LYS A 5 27.153 6.781 -7.335 1.00 0.00 C ATOM 53 C LYS A 5 26.663 5.348 -7.175 1.00 0.00 C ATOM 54 O LYS A 5 27.362 4.510 -6.599 1.00 0.00 O ATOM 55 CB LYS A 5 28.666 6.755 -7.506 1.00 0.00 C ATOM 56 CG LYS A 5 29.328 8.124 -7.475 1.00 0.00 C ATOM 57 CD LYS A 5 30.813 8.038 -7.789 1.00 0.00 C ATOM 58 CE LYS A 5 31.057 7.608 -9.227 1.00 0.00 C ATOM 59 NZ LYS A 5 30.527 8.605 -10.194 1.00 0.00 N ATOM 0 H LYS A 5 26.862 7.162 -5.294 1.00 0.00 H new ATOM 0 HA LYS A 5 26.692 7.226 -8.217 1.00 0.00 H new ATOM 0 HB2 LYS A 5 29.098 6.139 -6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 5 28.904 6.272 -8.454 1.00 0.00 H new ATOM 0 HG2 LYS A 5 28.841 8.780 -8.196 1.00 0.00 H new ATOM 0 HG3 LYS A 5 29.189 8.573 -6.491 1.00 0.00 H new ATOM 0 HD2 LYS A 5 31.279 9.008 -7.615 1.00 0.00 H new ATOM 0 HD3 LYS A 5 31.288 7.329 -7.111 1.00 0.00 H new ATOM 0 HE2 LYS A 5 32.126 7.474 -9.391 1.00 0.00 H new ATOM 0 HE3 LYS A 5 30.584 6.642 -9.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 30.924 8.419 -11.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 29.490 8.533 -10.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 30.796 9.562 -9.888 1.00 0.00 H new ATOM 73 N ASP A 6 25.460 5.108 -7.690 1.00 0.00 N ATOM 74 CA ASP A 6 24.810 3.783 -7.724 1.00 0.00 C ATOM 75 C ASP A 6 23.305 3.975 -7.914 1.00 0.00 C ATOM 76 O ASP A 6 22.875 5.023 -8.409 1.00 0.00 O ATOM 77 CB ASP A 6 25.065 2.961 -6.449 1.00 0.00 C ATOM 78 CG ASP A 6 24.891 1.474 -6.689 1.00 0.00 C ATOM 79 OD1 ASP A 6 25.750 0.871 -7.370 1.00 0.00 O ATOM 80 OD2 ASP A 6 23.878 0.904 -6.234 1.00 0.00 O ATOM 0 H ASP A 6 24.889 5.842 -8.108 1.00 0.00 H new ATOM 0 HA ASP A 6 25.242 3.225 -8.555 1.00 0.00 H new ATOM 0 HB2 ASP A 6 26.075 3.155 -6.089 1.00 0.00 H new ATOM 0 HB3 ASP A 6 24.380 3.285 -5.666 1.00 0.00 H new ATOM 85 N LYS A 7 22.508 2.977 -7.541 1.00 0.00 N ATOM 86 CA LYS A 7 21.058 3.088 -7.614 1.00 0.00 C ATOM 87 C LYS A 7 20.543 3.975 -6.487 1.00 0.00 C ATOM 88 O LYS A 7 21.278 4.282 -5.545 1.00 0.00 O ATOM 89 CB LYS A 7 20.383 1.715 -7.509 1.00 0.00 C ATOM 90 CG LYS A 7 20.647 0.776 -8.676 1.00 0.00 C ATOM 91 CD LYS A 7 19.790 -0.477 -8.565 1.00 0.00 C ATOM 92 CE LYS A 7 20.026 -1.438 -9.720 1.00 0.00 C ATOM 93 NZ LYS A 7 19.096 -2.601 -9.670 1.00 0.00 N ATOM 0 H LYS A 7 22.845 2.082 -7.185 1.00 0.00 H new ATOM 0 HA LYS A 7 20.813 3.527 -8.581 1.00 0.00 H new ATOM 0 HB2 LYS A 7 20.718 1.232 -6.591 1.00 0.00 H new ATOM 0 HB3 LYS A 7 19.307 1.862 -7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 7 20.433 1.286 -9.615 1.00 0.00 H new ATOM 0 HG3 LYS A 7 21.701 0.500 -8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 7 20.008 -0.982 -7.624 1.00 0.00 H new ATOM 0 HD3 LYS A 7 18.738 -0.194 -8.539 1.00 0.00 H new ATOM 0 HE2 LYS A 7 19.897 -0.910 -10.665 1.00 0.00 H new ATOM 0 HE3 LYS A 7 21.056 -1.794 -9.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 19.404 -3.321 -10.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 19.101 -3.008 -8.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 18.134 -2.286 -9.908 1.00 0.00 H new ATOM 107 N SER A 8 19.285 4.377 -6.585 1.00 0.00 N ATOM 108 CA SER A 8 18.648 5.156 -5.535 1.00 0.00 C ATOM 109 C SER A 8 18.546 4.325 -4.255 1.00 0.00 C ATOM 110 O SER A 8 18.394 3.102 -4.315 1.00 0.00 O ATOM 111 CB SER A 8 17.257 5.611 -5.989 1.00 0.00 C ATOM 112 OG SER A 8 17.330 6.313 -7.225 1.00 0.00 O ATOM 0 H SER A 8 18.684 4.176 -7.384 1.00 0.00 H new ATOM 0 HA SER A 8 19.254 6.039 -5.330 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.604 4.745 -6.096 1.00 0.00 H new ATOM 0 HB3 SER A 8 16.813 6.253 -5.228 1.00 0.00 H new ATOM 0 HG SER A 8 16.431 6.592 -7.496 1.00 0.00 H new ATOM 118 N MET A 9 18.645 4.991 -3.108 1.00 0.00 N ATOM 119 CA MET A 9 18.610 4.311 -1.815 1.00 0.00 C ATOM 120 C MET A 9 17.277 3.594 -1.603 1.00 0.00 C ATOM 121 O MET A 9 16.237 4.045 -2.086 1.00 0.00 O ATOM 122 CB MET A 9 18.856 5.306 -0.677 1.00 0.00 C ATOM 123 CG MET A 9 20.249 5.920 -0.692 1.00 0.00 C ATOM 124 SD MET A 9 20.544 7.023 0.705 1.00 0.00 S ATOM 125 CE MET A 9 19.270 8.255 0.441 1.00 0.00 C ATOM 0 H MET A 9 18.750 6.004 -3.047 1.00 0.00 H new ATOM 0 HA MET A 9 19.404 3.565 -1.811 1.00 0.00 H new ATOM 0 HB2 MET A 9 18.116 6.104 -0.738 1.00 0.00 H new ATOM 0 HB3 MET A 9 18.702 4.800 0.276 1.00 0.00 H new ATOM 0 HG2 MET A 9 20.992 5.123 -0.682 1.00 0.00 H new ATOM 0 HG3 MET A 9 20.387 6.473 -1.621 1.00 0.00 H new ATOM 0 HE1 MET A 9 19.519 9.160 0.995 1.00 0.00 H new ATOM 0 HE2 MET A 9 19.203 8.487 -0.622 1.00 0.00 H new ATOM 0 HE3 MET A 9 18.312 7.868 0.789 1.00 0.00 H new ATOM 135 N PRO A 10 17.299 2.457 -0.885 1.00 0.00 N ATOM 136 CA PRO A 10 16.100 1.656 -0.621 1.00 0.00 C ATOM 137 C PRO A 10 15.013 2.438 0.113 1.00 0.00 C ATOM 138 O PRO A 10 15.044 2.583 1.336 1.00 0.00 O ATOM 139 CB PRO A 10 16.611 0.501 0.249 1.00 0.00 C ATOM 140 CG PRO A 10 18.072 0.437 -0.024 1.00 0.00 C ATOM 141 CD PRO A 10 18.500 1.852 -0.291 1.00 0.00 C ATOM 0 HA PRO A 10 15.630 1.329 -1.549 1.00 0.00 H new ATOM 0 HB2 PRO A 10 16.414 0.684 1.305 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.119 -0.437 -0.009 1.00 0.00 H new ATOM 0 HG2 PRO A 10 18.611 0.019 0.826 1.00 0.00 H new ATOM 0 HG3 PRO A 10 18.282 -0.204 -0.881 1.00 0.00 H new ATOM 0 HD2 PRO A 10 18.798 2.363 0.625 1.00 0.00 H new ATOM 0 HD3 PRO A 10 19.351 1.894 -0.971 1.00 0.00 H new ATOM 149 N THR A 11 14.069 2.959 -0.655 1.00 0.00 N ATOM 150 CA THR A 11 12.940 3.689 -0.112 1.00 0.00 C ATOM 151 C THR A 11 11.645 2.945 -0.451 1.00 0.00 C ATOM 152 O THR A 11 10.611 3.540 -0.763 1.00 0.00 O ATOM 153 CB THR A 11 12.910 5.136 -0.659 1.00 0.00 C ATOM 154 OG1 THR A 11 11.845 5.877 -0.058 1.00 0.00 O ATOM 155 CG2 THR A 11 12.759 5.156 -2.176 1.00 0.00 C ATOM 0 H THR A 11 14.066 2.886 -1.672 1.00 0.00 H new ATOM 0 HA THR A 11 13.039 3.751 0.972 1.00 0.00 H new ATOM 0 HB THR A 11 13.862 5.602 -0.404 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.023 5.344 -0.080 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.742 6.188 -2.526 1.00 0.00 H new ATOM 0 HG22 THR A 11 13.599 4.632 -2.632 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.828 4.662 -2.456 1.00 0.00 H new ATOM 163 N ALA A 12 11.716 1.620 -0.346 1.00 0.00 N ATOM 164 CA ALA A 12 10.623 0.741 -0.749 1.00 0.00 C ATOM 165 C ALA A 12 9.340 1.077 -0.006 1.00 0.00 C ATOM 166 O ALA A 12 8.253 1.038 -0.577 1.00 0.00 O ATOM 167 CB ALA A 12 11.004 -0.714 -0.516 1.00 0.00 C ATOM 0 H ALA A 12 12.531 1.127 0.020 1.00 0.00 H new ATOM 0 HA ALA A 12 10.443 0.895 -1.813 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.180 -1.359 -0.821 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.890 -0.956 -1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.215 -0.870 0.542 1.00 0.00 H new ATOM 173 N ILE A 13 9.480 1.431 1.262 1.00 0.00 N ATOM 174 CA ILE A 13 8.332 1.735 2.100 1.00 0.00 C ATOM 175 C ILE A 13 7.699 3.058 1.686 1.00 0.00 C ATOM 176 O ILE A 13 6.521 3.111 1.344 1.00 0.00 O ATOM 177 CB ILE A 13 8.735 1.800 3.587 1.00 0.00 C ATOM 178 CG1 ILE A 13 9.404 0.485 4.002 1.00 0.00 C ATOM 179 CG2 ILE A 13 7.518 2.086 4.461 1.00 0.00 C ATOM 180 CD1 ILE A 13 10.068 0.540 5.359 1.00 0.00 C ATOM 0 H ILE A 13 10.380 1.515 1.734 1.00 0.00 H new ATOM 0 HA ILE A 13 7.605 0.934 1.967 1.00 0.00 H new ATOM 0 HB ILE A 13 9.446 2.614 3.725 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.655 -0.307 4.006 1.00 0.00 H new ATOM 0 HG13 ILE A 13 10.149 0.215 3.254 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.823 2.128 5.507 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.079 3.041 4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.781 1.294 4.329 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.519 -0.427 5.583 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.841 1.309 5.355 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.324 0.778 6.119 1.00 0.00 H new ATOM 192 N GLU A 14 8.496 4.117 1.687 1.00 0.00 N ATOM 193 CA GLU A 14 7.992 5.453 1.400 1.00 0.00 C ATOM 194 C GLU A 14 7.455 5.556 -0.025 1.00 0.00 C ATOM 195 O GLU A 14 6.413 6.172 -0.258 1.00 0.00 O ATOM 196 CB GLU A 14 9.089 6.494 1.640 1.00 0.00 C ATOM 197 CG GLU A 14 8.677 7.910 1.280 1.00 0.00 C ATOM 198 CD GLU A 14 9.603 8.952 1.870 1.00 0.00 C ATOM 199 OE1 GLU A 14 10.681 9.196 1.297 1.00 0.00 O ATOM 200 OE2 GLU A 14 9.251 9.531 2.919 1.00 0.00 O ATOM 0 H GLU A 14 9.496 4.077 1.884 1.00 0.00 H new ATOM 0 HA GLU A 14 7.162 5.652 2.078 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.381 6.466 2.690 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.969 6.222 1.057 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.661 8.015 0.195 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.661 8.090 1.633 1.00 0.00 H new ATOM 207 N LYS A 15 8.149 4.942 -0.974 1.00 0.00 N ATOM 208 CA LYS A 15 7.714 4.974 -2.362 1.00 0.00 C ATOM 209 C LYS A 15 6.408 4.195 -2.532 1.00 0.00 C ATOM 210 O LYS A 15 5.575 4.541 -3.369 1.00 0.00 O ATOM 211 CB LYS A 15 8.801 4.417 -3.288 1.00 0.00 C ATOM 212 CG LYS A 15 8.495 4.601 -4.768 1.00 0.00 C ATOM 213 CD LYS A 15 8.206 6.060 -5.095 1.00 0.00 C ATOM 214 CE LYS A 15 7.897 6.258 -6.570 1.00 0.00 C ATOM 215 NZ LYS A 15 7.423 7.637 -6.861 1.00 0.00 N ATOM 0 H LYS A 15 9.009 4.420 -0.809 1.00 0.00 H new ATOM 0 HA LYS A 15 7.534 6.013 -2.639 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.748 4.906 -3.058 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.932 3.355 -3.082 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.340 4.253 -5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.637 3.987 -5.043 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.363 6.406 -4.497 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.065 6.671 -4.818 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.791 6.050 -7.158 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.137 5.541 -6.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.653 7.883 -7.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.393 7.686 -6.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.890 8.308 -6.218 1.00 0.00 H new ATOM 229 N ALA A 16 6.226 3.152 -1.726 1.00 0.00 N ATOM 230 CA ALA A 16 4.978 2.396 -1.733 1.00 0.00 C ATOM 231 C ALA A 16 3.824 3.280 -1.274 1.00 0.00 C ATOM 232 O ALA A 16 2.742 3.262 -1.860 1.00 0.00 O ATOM 233 CB ALA A 16 5.086 1.158 -0.853 1.00 0.00 C ATOM 0 H ALA A 16 6.923 2.813 -1.063 1.00 0.00 H new ATOM 0 HA ALA A 16 4.783 2.067 -2.754 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.143 0.612 -0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.885 0.517 -1.224 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.307 1.458 0.171 1.00 0.00 H new ATOM 239 N LEU A 17 4.070 4.068 -0.233 1.00 0.00 N ATOM 240 CA LEU A 17 3.070 5.006 0.269 1.00 0.00 C ATOM 241 C LEU A 17 2.781 6.092 -0.769 1.00 0.00 C ATOM 242 O LEU A 17 1.651 6.575 -0.878 1.00 0.00 O ATOM 243 CB LEU A 17 3.526 5.645 1.587 1.00 0.00 C ATOM 244 CG LEU A 17 3.237 4.837 2.862 1.00 0.00 C ATOM 245 CD1 LEU A 17 1.750 4.576 3.009 1.00 0.00 C ATOM 246 CD2 LEU A 17 4.000 3.528 2.876 1.00 0.00 C ATOM 0 H LEU A 17 4.952 4.077 0.280 1.00 0.00 H new ATOM 0 HA LEU A 17 2.154 4.447 0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.600 5.823 1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.046 6.619 1.681 1.00 0.00 H new ATOM 0 HG LEU A 17 3.575 5.434 3.709 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.569 4.003 3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.218 5.526 3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.393 4.012 2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.771 2.983 3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.708 2.928 2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.070 3.730 2.832 1.00 0.00 H new ATOM 258 N ASP A 18 3.808 6.464 -1.527 1.00 0.00 N ATOM 259 CA ASP A 18 3.657 7.416 -2.626 1.00 0.00 C ATOM 260 C ASP A 18 2.709 6.866 -3.685 1.00 0.00 C ATOM 261 O ASP A 18 1.830 7.574 -4.172 1.00 0.00 O ATOM 262 CB ASP A 18 5.019 7.729 -3.256 1.00 0.00 C ATOM 263 CG ASP A 18 4.905 8.482 -4.570 1.00 0.00 C ATOM 264 OD1 ASP A 18 4.669 9.708 -4.544 1.00 0.00 O ATOM 265 OD2 ASP A 18 5.073 7.854 -5.636 1.00 0.00 O ATOM 0 H ASP A 18 4.760 6.119 -1.400 1.00 0.00 H new ATOM 0 HA ASP A 18 3.236 8.337 -2.223 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.610 8.319 -2.556 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.559 6.797 -3.423 1.00 0.00 H new ATOM 270 N PHE A 19 2.890 5.596 -4.025 1.00 0.00 N ATOM 271 CA PHE A 19 2.021 4.917 -4.981 1.00 0.00 C ATOM 272 C PHE A 19 0.572 4.899 -4.502 1.00 0.00 C ATOM 273 O PHE A 19 -0.355 5.031 -5.301 1.00 0.00 O ATOM 274 CB PHE A 19 2.495 3.485 -5.211 1.00 0.00 C ATOM 275 CG PHE A 19 3.518 3.338 -6.297 1.00 0.00 C ATOM 276 CD1 PHE A 19 3.135 3.387 -7.625 1.00 0.00 C ATOM 277 CD2 PHE A 19 4.852 3.135 -5.994 1.00 0.00 C ATOM 278 CE1 PHE A 19 4.065 3.237 -8.632 1.00 0.00 C ATOM 279 CE2 PHE A 19 5.788 2.982 -6.998 1.00 0.00 C ATOM 280 CZ PHE A 19 5.392 3.032 -8.319 1.00 0.00 C ATOM 0 H PHE A 19 3.637 5.011 -3.650 1.00 0.00 H new ATOM 0 HA PHE A 19 2.071 5.472 -5.918 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.912 3.100 -4.281 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.633 2.864 -5.455 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.096 3.544 -7.876 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.165 3.096 -4.961 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.754 3.280 -9.665 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.827 2.824 -6.750 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.121 2.911 -9.107 1.00 0.00 H new ATOM 290 N ILE A 20 0.387 4.730 -3.202 1.00 0.00 N ATOM 291 CA ILE A 20 -0.947 4.673 -2.622 1.00 0.00 C ATOM 292 C ILE A 20 -1.602 6.050 -2.606 1.00 0.00 C ATOM 293 O ILE A 20 -2.588 6.284 -3.304 1.00 0.00 O ATOM 294 CB ILE A 20 -0.911 4.111 -1.184 1.00 0.00 C ATOM 295 CG1 ILE A 20 -0.283 2.717 -1.174 1.00 0.00 C ATOM 296 CG2 ILE A 20 -2.314 4.068 -0.590 1.00 0.00 C ATOM 297 CD1 ILE A 20 -0.082 2.154 0.214 1.00 0.00 C ATOM 0 H ILE A 20 1.145 4.630 -2.527 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.537 4.005 -3.250 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.299 4.772 -0.570 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.917 2.038 -1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.680 2.758 -1.683 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.268 3.669 0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.730 5.075 -0.565 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.949 3.429 -1.203 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.367 1.163 0.143 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.577 2.811 0.781 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.045 2.081 0.720 1.00 0.00 H new ATOM 309 N GLY A 21 -1.036 6.964 -1.826 1.00 0.00 N ATOM 310 CA GLY A 21 -1.643 8.270 -1.650 1.00 0.00 C ATOM 311 C GLY A 21 -1.577 9.121 -2.897 1.00 0.00 C ATOM 312 O GLY A 21 -2.568 9.737 -3.289 1.00 0.00 O ATOM 0 H GLY A 21 -0.166 6.824 -1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.685 8.144 -1.357 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.143 8.791 -0.834 1.00 0.00 H new ATOM 316 N GLY A 22 -0.402 9.171 -3.508 1.00 0.00 N ATOM 317 CA GLY A 22 -0.215 9.955 -4.716 1.00 0.00 C ATOM 318 C GLY A 22 -0.418 11.444 -4.502 1.00 0.00 C ATOM 319 O GLY A 22 -0.452 12.208 -5.465 1.00 0.00 O ATOM 0 H GLY A 22 0.432 8.679 -3.187 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.791 9.784 -5.100 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.911 9.606 -5.479 1.00 0.00 H new ATOM 323 N MET A 23 -0.556 11.852 -3.239 1.00 0.00 N ATOM 324 CA MET A 23 -0.814 13.248 -2.886 1.00 0.00 C ATOM 325 C MET A 23 -2.084 13.758 -3.570 1.00 0.00 C ATOM 326 O MET A 23 -2.203 14.944 -3.888 1.00 0.00 O ATOM 327 CB MET A 23 0.385 14.131 -3.258 1.00 0.00 C ATOM 328 CG MET A 23 1.638 13.832 -2.446 1.00 0.00 C ATOM 329 SD MET A 23 3.009 14.928 -2.857 1.00 0.00 S ATOM 330 CE MET A 23 4.261 14.334 -1.722 1.00 0.00 C ATOM 0 H MET A 23 -0.492 11.227 -2.436 1.00 0.00 H new ATOM 0 HA MET A 23 -0.962 13.301 -1.807 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.608 13.999 -4.317 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.112 15.177 -3.118 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.409 13.925 -1.384 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.940 12.799 -2.618 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.175 14.913 -1.853 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.905 14.444 -0.698 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.466 13.283 -1.924 1.00 0.00 H new ATOM 340 N ASN A 24 -3.035 12.849 -3.783 1.00 0.00 N ATOM 341 CA ASN A 24 -4.308 13.195 -4.404 1.00 0.00 C ATOM 342 C ASN A 24 -5.116 14.096 -3.487 1.00 0.00 C ATOM 343 O ASN A 24 -5.595 13.670 -2.440 1.00 0.00 O ATOM 344 CB ASN A 24 -5.115 11.938 -4.757 1.00 0.00 C ATOM 345 CG ASN A 24 -4.503 11.151 -5.901 1.00 0.00 C ATOM 346 OD1 ASN A 24 -3.855 11.717 -6.783 1.00 0.00 O ATOM 347 ND2 ASN A 24 -4.714 9.844 -5.907 1.00 0.00 N ATOM 0 H ASN A 24 -2.945 11.864 -3.533 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.094 13.730 -5.329 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.185 11.298 -3.878 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.132 12.227 -5.023 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.335 9.270 -6.660 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.256 9.411 -5.159 1.00 0.00 H new ATOM 354 N THR A 25 -5.267 15.343 -3.904 1.00 0.00 N ATOM 355 CA THR A 25 -5.913 16.365 -3.095 1.00 0.00 C ATOM 356 C THR A 25 -7.439 16.224 -3.095 1.00 0.00 C ATOM 357 O THR A 25 -8.141 17.017 -2.468 1.00 0.00 O ATOM 358 CB THR A 25 -5.525 17.773 -3.604 1.00 0.00 C ATOM 359 OG1 THR A 25 -6.117 18.791 -2.787 1.00 0.00 O ATOM 360 CG2 THR A 25 -5.966 17.962 -5.050 1.00 0.00 C ATOM 0 H THR A 25 -4.945 15.676 -4.813 1.00 0.00 H new ATOM 0 HA THR A 25 -5.565 16.231 -2.071 1.00 0.00 H new ATOM 0 HB THR A 25 -4.440 17.860 -3.547 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.001 18.495 -2.484 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.684 18.959 -5.389 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.482 17.214 -5.679 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.048 17.848 -5.118 1.00 0.00 H new ATOM 368 N SER A 26 -7.951 15.218 -3.789 1.00 0.00 N ATOM 369 CA SER A 26 -9.391 15.042 -3.897 1.00 0.00 C ATOM 370 C SER A 26 -9.777 13.580 -3.672 1.00 0.00 C ATOM 371 O SER A 26 -10.882 13.156 -4.021 1.00 0.00 O ATOM 372 CB SER A 26 -9.874 15.521 -5.274 1.00 0.00 C ATOM 373 OG SER A 26 -11.289 15.535 -5.349 1.00 0.00 O ATOM 0 H SER A 26 -7.397 14.517 -4.281 1.00 0.00 H new ATOM 0 HA SER A 26 -9.875 15.641 -3.125 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.488 16.521 -5.469 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.473 14.868 -6.049 1.00 0.00 H new ATOM 0 HG SER A 26 -11.644 14.699 -4.981 1.00 0.00 H new ATOM 379 N ALA A 27 -8.879 12.818 -3.062 1.00 0.00 N ATOM 380 CA ALA A 27 -9.122 11.400 -2.842 1.00 0.00 C ATOM 381 C ALA A 27 -10.056 11.185 -1.662 1.00 0.00 C ATOM 382 O ALA A 27 -9.627 11.084 -0.513 1.00 0.00 O ATOM 383 CB ALA A 27 -7.822 10.656 -2.628 1.00 0.00 C ATOM 0 H ALA A 27 -7.982 13.156 -2.713 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.602 11.002 -3.736 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.030 9.598 -2.466 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.188 10.770 -3.508 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.309 11.063 -1.756 1.00 0.00 H new ATOM 389 N SER A 28 -11.340 11.146 -1.956 1.00 0.00 N ATOM 390 CA SER A 28 -12.365 10.944 -0.944 1.00 0.00 C ATOM 391 C SER A 28 -13.599 10.342 -1.590 1.00 0.00 C ATOM 392 O SER A 28 -14.172 9.368 -1.097 1.00 0.00 O ATOM 393 CB SER A 28 -12.722 12.270 -0.261 1.00 0.00 C ATOM 394 OG SER A 28 -11.596 12.823 0.394 1.00 0.00 O ATOM 0 H SER A 28 -11.705 11.253 -2.902 1.00 0.00 H new ATOM 0 HA SER A 28 -11.982 10.263 -0.185 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.098 12.975 -1.002 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.523 12.108 0.460 1.00 0.00 H new ATOM 0 HG SER A 28 -10.828 12.224 0.286 1.00 0.00 H new ATOM 400 N VAL A 29 -13.976 10.917 -2.719 1.00 0.00 N ATOM 401 CA VAL A 29 -15.144 10.464 -3.460 1.00 0.00 C ATOM 402 C VAL A 29 -14.742 10.033 -4.872 1.00 0.00 C ATOM 403 O VAL A 29 -14.977 8.887 -5.245 1.00 0.00 O ATOM 404 CB VAL A 29 -16.263 11.531 -3.509 1.00 0.00 C ATOM 405 CG1 VAL A 29 -17.461 11.025 -4.300 1.00 0.00 C ATOM 406 CG2 VAL A 29 -16.687 11.926 -2.103 1.00 0.00 C ATOM 0 H VAL A 29 -13.487 11.704 -3.146 1.00 0.00 H new ATOM 0 HA VAL A 29 -15.552 9.605 -2.928 1.00 0.00 H new ATOM 0 HB VAL A 29 -15.867 12.412 -4.014 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.234 11.793 -4.320 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.152 10.794 -5.320 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -17.855 10.125 -3.827 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -17.475 12.677 -2.158 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -17.059 11.048 -1.575 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -15.831 12.336 -1.567 1.00 0.00 H new ATOM 416 N PRO A 30 -14.124 10.921 -5.688 1.00 0.00 N ATOM 417 CA PRO A 30 -13.567 10.506 -6.971 1.00 0.00 C ATOM 418 C PRO A 30 -12.217 9.812 -6.800 1.00 0.00 C ATOM 419 O PRO A 30 -11.179 10.464 -6.681 1.00 0.00 O ATOM 420 CB PRO A 30 -13.416 11.816 -7.740 1.00 0.00 C ATOM 421 CG PRO A 30 -13.206 12.849 -6.689 1.00 0.00 C ATOM 422 CD PRO A 30 -13.956 12.378 -5.471 1.00 0.00 C ATOM 0 HA PRO A 30 -14.199 9.782 -7.484 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.573 11.775 -8.430 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -14.304 12.031 -8.335 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -12.145 12.969 -6.469 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -13.574 13.820 -7.020 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.399 12.583 -4.557 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.919 12.880 -5.377 1.00 0.00 H new ATOM 430 N HIS A 31 -12.248 8.489 -6.742 1.00 0.00 N ATOM 431 CA HIS A 31 -11.030 7.698 -6.619 1.00 0.00 C ATOM 432 C HIS A 31 -10.991 6.616 -7.689 1.00 0.00 C ATOM 433 O HIS A 31 -11.844 5.728 -7.720 1.00 0.00 O ATOM 434 CB HIS A 31 -10.896 7.074 -5.221 1.00 0.00 C ATOM 435 CG HIS A 31 -12.168 6.548 -4.633 1.00 0.00 C ATOM 436 ND1 HIS A 31 -12.711 5.322 -4.955 1.00 0.00 N ATOM 437 CD2 HIS A 31 -13.001 7.096 -3.722 1.00 0.00 C ATOM 438 CE1 HIS A 31 -13.823 5.144 -4.268 1.00 0.00 C ATOM 439 NE2 HIS A 31 -14.018 6.203 -3.510 1.00 0.00 N ATOM 0 H HIS A 31 -13.106 7.938 -6.778 1.00 0.00 H new ATOM 0 HA HIS A 31 -10.184 8.370 -6.762 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -10.174 6.259 -5.272 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -10.484 7.823 -4.544 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -12.315 4.657 -5.620 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -12.887 8.060 -3.248 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -14.465 4.277 -4.319 1.00 0.00 H new ATOM 448 N SER A 32 -10.003 6.694 -8.562 1.00 0.00 N ATOM 449 CA SER A 32 -9.932 5.795 -9.702 1.00 0.00 C ATOM 450 C SER A 32 -8.888 4.708 -9.475 1.00 0.00 C ATOM 451 O SER A 32 -9.204 3.586 -9.072 1.00 0.00 O ATOM 452 CB SER A 32 -9.581 6.582 -10.964 1.00 0.00 C ATOM 453 OG SER A 32 -10.376 7.751 -11.073 1.00 0.00 O ATOM 0 H SER A 32 -9.240 7.368 -8.505 1.00 0.00 H new ATOM 0 HA SER A 32 -10.907 5.322 -9.823 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.526 6.856 -10.944 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.730 5.953 -11.842 1.00 0.00 H new ATOM 0 HG SER A 32 -10.131 8.238 -11.887 1.00 0.00 H new ATOM 459 N MET A 33 -7.637 5.069 -9.704 1.00 0.00 N ATOM 460 CA MET A 33 -6.530 4.140 -9.576 1.00 0.00 C ATOM 461 C MET A 33 -6.105 4.059 -8.119 1.00 0.00 C ATOM 462 O MET A 33 -5.603 3.040 -7.652 1.00 0.00 O ATOM 463 CB MET A 33 -5.356 4.608 -10.437 1.00 0.00 C ATOM 464 CG MET A 33 -4.225 3.600 -10.522 1.00 0.00 C ATOM 465 SD MET A 33 -2.598 4.373 -10.445 1.00 0.00 S ATOM 466 CE MET A 33 -2.648 5.029 -8.777 1.00 0.00 C ATOM 0 H MET A 33 -7.362 6.011 -9.983 1.00 0.00 H new ATOM 0 HA MET A 33 -6.844 3.153 -9.916 1.00 0.00 H new ATOM 0 HB2 MET A 33 -5.717 4.822 -11.443 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.969 5.543 -10.031 1.00 0.00 H new ATOM 0 HG2 MET A 33 -4.321 2.883 -9.707 1.00 0.00 H new ATOM 0 HG3 MET A 33 -4.313 3.039 -11.452 1.00 0.00 H new ATOM 0 HE1 MET A 33 -1.637 5.071 -8.372 1.00 0.00 H new ATOM 0 HE2 MET A 33 -3.074 6.032 -8.793 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.263 4.383 -8.150 1.00 0.00 H new ATOM 476 N ASP A 34 -6.351 5.141 -7.403 1.00 0.00 N ATOM 477 CA ASP A 34 -5.937 5.280 -6.015 1.00 0.00 C ATOM 478 C ASP A 34 -6.782 4.417 -5.082 1.00 0.00 C ATOM 479 O ASP A 34 -6.536 4.367 -3.881 1.00 0.00 O ATOM 480 CB ASP A 34 -6.001 6.751 -5.597 1.00 0.00 C ATOM 481 CG ASP A 34 -7.330 7.401 -5.943 1.00 0.00 C ATOM 482 OD1 ASP A 34 -7.677 7.450 -7.151 1.00 0.00 O ATOM 483 OD2 ASP A 34 -8.026 7.862 -5.021 1.00 0.00 O ATOM 0 H ASP A 34 -6.847 5.954 -7.769 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.908 4.929 -5.934 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -5.833 6.827 -4.523 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.195 7.299 -6.085 1.00 0.00 H new ATOM 488 N GLU A 35 -7.774 3.734 -5.634 1.00 0.00 N ATOM 489 CA GLU A 35 -8.533 2.765 -4.861 1.00 0.00 C ATOM 490 C GLU A 35 -8.077 1.350 -5.203 1.00 0.00 C ATOM 491 O GLU A 35 -7.535 0.637 -4.358 1.00 0.00 O ATOM 492 CB GLU A 35 -10.031 2.890 -5.123 1.00 0.00 C ATOM 493 CG GLU A 35 -10.864 2.131 -4.104 1.00 0.00 C ATOM 494 CD GLU A 35 -12.188 1.656 -4.657 1.00 0.00 C ATOM 495 OE1 GLU A 35 -12.882 2.448 -5.331 1.00 0.00 O ATOM 496 OE2 GLU A 35 -12.532 0.474 -4.428 1.00 0.00 O ATOM 0 H GLU A 35 -8.070 3.832 -6.605 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.350 2.969 -3.806 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.313 3.943 -5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.255 2.516 -6.122 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.297 1.271 -3.747 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.046 2.773 -3.242 1.00 0.00 H new ATOM 503 N SER A 36 -8.288 0.959 -6.457 1.00 0.00 N ATOM 504 CA SER A 36 -7.985 -0.395 -6.913 1.00 0.00 C ATOM 505 C SER A 36 -6.490 -0.703 -6.822 1.00 0.00 C ATOM 506 O SER A 36 -6.098 -1.757 -6.326 1.00 0.00 O ATOM 507 CB SER A 36 -8.473 -0.578 -8.349 1.00 0.00 C ATOM 508 OG SER A 36 -9.842 -0.228 -8.467 1.00 0.00 O ATOM 0 H SER A 36 -8.671 1.567 -7.181 1.00 0.00 H new ATOM 0 HA SER A 36 -8.505 -1.094 -6.258 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.877 0.039 -9.021 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.331 -1.614 -8.656 1.00 0.00 H new ATOM 0 HG SER A 36 -10.177 -0.508 -9.344 1.00 0.00 H new ATOM 514 N THR A 37 -5.661 0.221 -7.287 1.00 0.00 N ATOM 515 CA THR A 37 -4.222 0.025 -7.279 1.00 0.00 C ATOM 516 C THR A 37 -3.664 0.125 -5.862 1.00 0.00 C ATOM 517 O THR A 37 -2.676 -0.529 -5.533 1.00 0.00 O ATOM 518 CB THR A 37 -3.524 1.024 -8.216 1.00 0.00 C ATOM 519 OG1 THR A 37 -3.969 0.790 -9.558 1.00 0.00 O ATOM 520 CG2 THR A 37 -2.012 0.892 -8.153 1.00 0.00 C ATOM 0 H THR A 37 -5.963 1.115 -7.675 1.00 0.00 H new ATOM 0 HA THR A 37 -4.020 -0.980 -7.649 1.00 0.00 H new ATOM 0 HB THR A 37 -3.783 2.033 -7.896 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.938 -0.170 -9.750 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.555 1.615 -8.829 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.672 1.082 -7.135 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.722 -0.116 -8.450 1.00 0.00 H new ATOM 528 N ALA A 38 -4.313 0.918 -5.015 1.00 0.00 N ATOM 529 CA ALA A 38 -3.929 0.990 -3.615 1.00 0.00 C ATOM 530 C ALA A 38 -4.116 -0.375 -2.966 1.00 0.00 C ATOM 531 O ALA A 38 -3.219 -0.890 -2.297 1.00 0.00 O ATOM 532 CB ALA A 38 -4.741 2.043 -2.881 1.00 0.00 C ATOM 0 H ALA A 38 -5.100 1.514 -5.273 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.879 1.278 -3.554 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.434 2.076 -1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.573 3.017 -3.340 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.800 1.792 -2.940 1.00 0.00 H new ATOM 538 N LYS A 39 -5.289 -0.962 -3.198 1.00 0.00 N ATOM 539 CA LYS A 39 -5.585 -2.315 -2.736 1.00 0.00 C ATOM 540 C LYS A 39 -4.610 -3.312 -3.360 1.00 0.00 C ATOM 541 O LYS A 39 -4.105 -4.214 -2.691 1.00 0.00 O ATOM 542 CB LYS A 39 -7.023 -2.699 -3.111 1.00 0.00 C ATOM 543 CG LYS A 39 -8.087 -1.870 -2.411 1.00 0.00 C ATOM 544 CD LYS A 39 -9.475 -2.157 -2.970 1.00 0.00 C ATOM 545 CE LYS A 39 -10.557 -1.482 -2.140 1.00 0.00 C ATOM 546 NZ LYS A 39 -11.910 -1.611 -2.749 1.00 0.00 N ATOM 0 H LYS A 39 -6.053 -0.518 -3.706 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.478 -2.342 -1.652 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.147 -2.595 -4.189 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.181 -3.751 -2.872 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.072 -2.084 -1.342 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.859 -0.810 -2.527 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.533 -1.807 -4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.646 -3.233 -2.988 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.569 -1.919 -1.141 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.314 -0.426 -2.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.631 -1.319 -2.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.971 -1.003 -3.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.074 -2.601 -3.024 1.00 0.00 H new ATOM 560 N GLY A 40 -4.346 -3.123 -4.648 1.00 0.00 N ATOM 561 CA GLY A 40 -3.480 -4.022 -5.383 1.00 0.00 C ATOM 562 C GLY A 40 -2.046 -4.004 -4.894 1.00 0.00 C ATOM 563 O GLY A 40 -1.432 -5.058 -4.749 1.00 0.00 O ATOM 0 H GLY A 40 -4.722 -2.353 -5.201 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.871 -5.037 -5.305 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.500 -3.753 -6.439 1.00 0.00 H new ATOM 567 N ILE A 41 -1.510 -2.815 -4.645 1.00 0.00 N ATOM 568 CA ILE A 41 -0.133 -2.683 -4.186 1.00 0.00 C ATOM 569 C ILE A 41 0.032 -3.237 -2.775 1.00 0.00 C ATOM 570 O ILE A 41 1.016 -3.917 -2.482 1.00 0.00 O ATOM 571 CB ILE A 41 0.361 -1.218 -4.262 1.00 0.00 C ATOM 572 CG1 ILE A 41 0.558 -0.826 -5.732 1.00 0.00 C ATOM 573 CG2 ILE A 41 1.653 -1.030 -3.474 1.00 0.00 C ATOM 574 CD1 ILE A 41 1.086 0.575 -5.938 1.00 0.00 C ATOM 0 H ILE A 41 -2.007 -1.931 -4.753 1.00 0.00 H new ATOM 0 HA ILE A 41 0.488 -3.274 -4.859 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.390 -0.568 -3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.247 -1.533 -6.195 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.395 -0.922 -6.252 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.975 0.009 -3.546 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.482 -1.285 -2.428 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.427 -1.679 -3.884 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.195 0.769 -7.005 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.388 1.294 -5.508 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.056 0.674 -5.450 1.00 0.00 H new ATOM 586 N LEU A 42 -0.940 -2.972 -1.909 1.00 0.00 N ATOM 587 CA LEU A 42 -0.921 -3.528 -0.559 1.00 0.00 C ATOM 588 C LEU A 42 -0.938 -5.050 -0.622 1.00 0.00 C ATOM 589 O LEU A 42 -0.249 -5.728 0.143 1.00 0.00 O ATOM 590 CB LEU A 42 -2.117 -3.024 0.252 1.00 0.00 C ATOM 591 CG LEU A 42 -2.129 -1.522 0.547 1.00 0.00 C ATOM 592 CD1 LEU A 42 -3.389 -1.143 1.314 1.00 0.00 C ATOM 593 CD2 LEU A 42 -0.891 -1.127 1.332 1.00 0.00 C ATOM 0 H LEU A 42 -1.745 -2.381 -2.114 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.007 -3.200 -0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.031 -3.278 -0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.144 -3.563 1.199 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.124 -0.982 -0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.383 -0.072 1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.267 -1.395 0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.420 -1.690 2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.914 -0.056 1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.868 -1.674 2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.000 -1.367 0.752 1.00 0.00 H new ATOM 605 N LYS A 43 -1.718 -5.581 -1.554 1.00 0.00 N ATOM 606 CA LYS A 43 -1.818 -7.019 -1.732 1.00 0.00 C ATOM 607 C LYS A 43 -0.557 -7.574 -2.395 1.00 0.00 C ATOM 608 O LYS A 43 -0.175 -8.716 -2.150 1.00 0.00 O ATOM 609 CB LYS A 43 -3.058 -7.368 -2.556 1.00 0.00 C ATOM 610 CG LYS A 43 -3.362 -8.852 -2.597 1.00 0.00 C ATOM 611 CD LYS A 43 -4.603 -9.147 -3.415 1.00 0.00 C ATOM 612 CE LYS A 43 -4.958 -10.623 -3.372 1.00 0.00 C ATOM 613 NZ LYS A 43 -3.823 -11.482 -3.807 1.00 0.00 N ATOM 0 H LYS A 43 -2.290 -5.035 -2.198 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.914 -7.480 -0.749 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.918 -6.841 -2.143 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.921 -7.006 -3.575 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.511 -9.386 -3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.498 -9.224 -1.582 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.439 -8.559 -3.036 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.441 -8.840 -4.448 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.252 -10.896 -2.358 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.819 -10.808 -4.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.192 -12.357 -4.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.251 -10.972 -4.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.231 -11.718 -2.985 1.00 0.00 H new ATOM 627 N TYR A 44 0.086 -6.762 -3.230 1.00 0.00 N ATOM 628 CA TYR A 44 1.338 -7.149 -3.879 1.00 0.00 C ATOM 629 C TYR A 44 2.389 -7.490 -2.829 1.00 0.00 C ATOM 630 O TYR A 44 2.935 -8.593 -2.817 1.00 0.00 O ATOM 631 CB TYR A 44 1.837 -6.020 -4.794 1.00 0.00 C ATOM 632 CG TYR A 44 3.190 -6.277 -5.436 1.00 0.00 C ATOM 633 CD1 TYR A 44 3.331 -7.202 -6.460 1.00 0.00 C ATOM 634 CD2 TYR A 44 4.321 -5.583 -5.021 1.00 0.00 C ATOM 635 CE1 TYR A 44 4.561 -7.434 -7.049 1.00 0.00 C ATOM 636 CE2 TYR A 44 5.554 -5.808 -5.606 1.00 0.00 C ATOM 637 CZ TYR A 44 5.669 -6.735 -6.618 1.00 0.00 C ATOM 638 OH TYR A 44 6.896 -6.971 -7.200 1.00 0.00 O ATOM 0 H TYR A 44 -0.240 -5.827 -3.475 1.00 0.00 H new ATOM 0 HA TYR A 44 1.158 -8.033 -4.491 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.101 -5.856 -5.581 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.894 -5.099 -4.214 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.466 -7.750 -6.803 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.235 -4.855 -4.228 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.653 -8.160 -7.843 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.422 -5.260 -5.271 1.00 0.00 H new ATOM 0 HH TYR A 44 6.794 -7.011 -8.174 1.00 0.00 H new ATOM 648 N LEU A 45 2.640 -6.544 -1.928 1.00 0.00 N ATOM 649 CA LEU A 45 3.607 -6.749 -0.859 1.00 0.00 C ATOM 650 C LEU A 45 3.146 -7.870 0.067 1.00 0.00 C ATOM 651 O LEU A 45 3.958 -8.657 0.560 1.00 0.00 O ATOM 652 CB LEU A 45 3.844 -5.454 -0.071 1.00 0.00 C ATOM 653 CG LEU A 45 4.782 -4.447 -0.747 1.00 0.00 C ATOM 654 CD1 LEU A 45 4.077 -3.710 -1.875 1.00 0.00 C ATOM 655 CD2 LEU A 45 5.341 -3.462 0.266 1.00 0.00 C ATOM 0 H LEU A 45 2.187 -5.630 -1.919 1.00 0.00 H new ATOM 0 HA LEU A 45 4.555 -7.041 -1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.882 -4.971 0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.254 -5.711 0.906 1.00 0.00 H new ATOM 0 HG LEU A 45 5.613 -5.006 -1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.767 -3.003 -2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.740 -4.427 -2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.218 -3.171 -1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.003 -2.758 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.521 -2.917 0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.900 -4.003 1.029 1.00 0.00 H new ATOM 667 N HIS A 46 1.837 -7.940 0.283 1.00 0.00 N ATOM 668 CA HIS A 46 1.233 -9.017 1.050 1.00 0.00 C ATOM 669 C HIS A 46 1.621 -10.382 0.491 1.00 0.00 C ATOM 670 O HIS A 46 2.161 -11.224 1.207 1.00 0.00 O ATOM 671 CB HIS A 46 -0.289 -8.878 1.021 1.00 0.00 C ATOM 672 CG HIS A 46 -0.998 -10.018 1.673 1.00 0.00 C ATOM 673 ND1 HIS A 46 -1.599 -11.041 0.969 1.00 0.00 N ATOM 674 CD2 HIS A 46 -1.183 -10.295 2.976 1.00 0.00 C ATOM 675 CE1 HIS A 46 -2.129 -11.901 1.820 1.00 0.00 C ATOM 676 NE2 HIS A 46 -1.888 -11.470 3.045 1.00 0.00 N ATOM 0 H HIS A 46 1.169 -7.254 -0.068 1.00 0.00 H new ATOM 0 HA HIS A 46 1.598 -8.946 2.074 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -0.572 -7.951 1.519 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.620 -8.798 -0.014 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -1.629 -11.121 -0.047 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.841 -9.703 3.812 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.666 -12.801 1.559 1.00 0.00 H new ATOM 685 N ASP A 47 1.335 -10.582 -0.789 1.00 0.00 N ATOM 686 CA ASP A 47 1.555 -11.867 -1.444 1.00 0.00 C ATOM 687 C ASP A 47 3.043 -12.175 -1.561 1.00 0.00 C ATOM 688 O ASP A 47 3.437 -13.339 -1.672 1.00 0.00 O ATOM 689 CB ASP A 47 0.886 -11.890 -2.823 1.00 0.00 C ATOM 690 CG ASP A 47 -0.636 -11.964 -2.751 1.00 0.00 C ATOM 691 OD1 ASP A 47 -1.223 -11.537 -1.728 1.00 0.00 O ATOM 692 OD2 ASP A 47 -1.257 -12.438 -3.727 1.00 0.00 O ATOM 0 H ASP A 47 0.946 -9.864 -1.400 1.00 0.00 H new ATOM 0 HA ASP A 47 1.100 -12.643 -0.828 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.174 -10.995 -3.375 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.259 -12.745 -3.386 1.00 0.00 H new ATOM 697 N LEU A 48 3.871 -11.129 -1.538 1.00 0.00 N ATOM 698 CA LEU A 48 5.318 -11.304 -1.473 1.00 0.00 C ATOM 699 C LEU A 48 5.699 -12.014 -0.178 1.00 0.00 C ATOM 700 O LEU A 48 6.625 -12.828 -0.150 1.00 0.00 O ATOM 701 CB LEU A 48 6.049 -9.959 -1.552 1.00 0.00 C ATOM 702 CG LEU A 48 5.877 -9.185 -2.858 1.00 0.00 C ATOM 703 CD1 LEU A 48 6.657 -7.881 -2.811 1.00 0.00 C ATOM 704 CD2 LEU A 48 6.316 -10.025 -4.045 1.00 0.00 C ATOM 0 H LEU A 48 3.563 -10.157 -1.563 1.00 0.00 H new ATOM 0 HA LEU A 48 5.619 -11.908 -2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.704 -9.331 -0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.113 -10.135 -1.393 1.00 0.00 H new ATOM 0 HG LEU A 48 4.819 -8.952 -2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.523 -7.343 -3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.293 -7.269 -1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.716 -8.095 -2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.185 -9.453 -4.964 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.366 -10.294 -3.932 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.713 -10.932 -4.092 1.00 0.00 H new ATOM 716 N GLY A 49 4.962 -11.711 0.882 1.00 0.00 N ATOM 717 CA GLY A 49 5.217 -12.319 2.171 1.00 0.00 C ATOM 718 C GLY A 49 5.257 -11.304 3.295 1.00 0.00 C ATOM 719 O GLY A 49 5.526 -11.657 4.444 1.00 0.00 O ATOM 0 H GLY A 49 4.186 -11.049 0.870 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.443 -13.057 2.380 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.166 -12.854 2.135 1.00 0.00 H new ATOM 723 N VAL A 50 4.986 -10.044 2.970 1.00 0.00 N ATOM 724 CA VAL A 50 5.022 -8.974 3.958 1.00 0.00 C ATOM 725 C VAL A 50 3.665 -8.273 4.048 1.00 0.00 C ATOM 726 O VAL A 50 3.329 -7.437 3.208 1.00 0.00 O ATOM 727 CB VAL A 50 6.109 -7.929 3.617 1.00 0.00 C ATOM 728 CG1 VAL A 50 6.183 -6.856 4.691 1.00 0.00 C ATOM 729 CG2 VAL A 50 7.464 -8.596 3.436 1.00 0.00 C ATOM 0 H VAL A 50 4.739 -9.740 2.028 1.00 0.00 H new ATOM 0 HA VAL A 50 5.260 -9.431 4.918 1.00 0.00 H new ATOM 0 HB VAL A 50 5.834 -7.453 2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.955 -6.132 4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.221 -6.350 4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.427 -7.316 5.649 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.212 -7.840 3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.745 -9.106 4.358 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.407 -9.321 2.624 1.00 0.00 H new ATOM 739 N PRO A 51 2.846 -8.624 5.051 1.00 0.00 N ATOM 740 CA PRO A 51 1.567 -7.962 5.275 1.00 0.00 C ATOM 741 C PRO A 51 1.748 -6.597 5.941 1.00 0.00 C ATOM 742 O PRO A 51 2.264 -6.495 7.054 1.00 0.00 O ATOM 743 CB PRO A 51 0.819 -8.938 6.183 1.00 0.00 C ATOM 744 CG PRO A 51 1.884 -9.666 6.929 1.00 0.00 C ATOM 745 CD PRO A 51 3.107 -9.685 6.042 1.00 0.00 C ATOM 0 HA PRO A 51 1.032 -7.750 4.349 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.151 -8.410 6.864 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.204 -9.625 5.602 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.101 -9.170 7.875 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.564 -10.680 7.167 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.015 -9.485 6.610 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.237 -10.655 5.563 1.00 0.00 H new ATOM 753 N VAL A 52 1.337 -5.549 5.238 1.00 0.00 N ATOM 754 CA VAL A 52 1.525 -4.183 5.709 1.00 0.00 C ATOM 755 C VAL A 52 0.670 -3.885 6.937 1.00 0.00 C ATOM 756 O VAL A 52 -0.419 -4.436 7.103 1.00 0.00 O ATOM 757 CB VAL A 52 1.204 -3.160 4.600 1.00 0.00 C ATOM 758 CG1 VAL A 52 2.179 -3.309 3.446 1.00 0.00 C ATOM 759 CG2 VAL A 52 -0.233 -3.318 4.118 1.00 0.00 C ATOM 0 H VAL A 52 0.869 -5.620 4.335 1.00 0.00 H new ATOM 0 HA VAL A 52 2.575 -4.091 5.987 1.00 0.00 H new ATOM 0 HB VAL A 52 1.311 -2.158 5.014 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.940 -2.581 2.671 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.195 -3.138 3.803 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.104 -4.315 3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.437 -2.586 3.336 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.375 -4.323 3.721 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.916 -3.158 4.952 1.00 0.00 H new ATOM 769 N SER A 53 1.180 -3.015 7.796 1.00 0.00 N ATOM 770 CA SER A 53 0.473 -2.614 9.000 1.00 0.00 C ATOM 771 C SER A 53 -0.312 -1.326 8.750 1.00 0.00 C ATOM 772 O SER A 53 0.225 -0.361 8.206 1.00 0.00 O ATOM 773 CB SER A 53 1.468 -2.408 10.139 1.00 0.00 C ATOM 774 OG SER A 53 2.326 -3.530 10.267 1.00 0.00 O ATOM 0 H SER A 53 2.090 -2.570 7.678 1.00 0.00 H new ATOM 0 HA SER A 53 -0.229 -3.401 9.276 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.060 -1.511 9.954 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.930 -2.247 11.073 1.00 0.00 H new ATOM 0 HG SER A 53 2.957 -3.377 11.001 1.00 0.00 H new ATOM 780 N PRO A 54 -1.595 -1.303 9.145 1.00 0.00 N ATOM 781 CA PRO A 54 -2.482 -0.148 8.939 1.00 0.00 C ATOM 782 C PRO A 54 -1.967 1.133 9.598 1.00 0.00 C ATOM 783 O PRO A 54 -2.193 2.230 9.084 1.00 0.00 O ATOM 784 CB PRO A 54 -3.801 -0.584 9.582 1.00 0.00 C ATOM 785 CG PRO A 54 -3.738 -2.071 9.610 1.00 0.00 C ATOM 786 CD PRO A 54 -2.292 -2.417 9.807 1.00 0.00 C ATOM 0 HA PRO A 54 -2.565 0.101 7.881 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.906 -0.174 10.586 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.657 -0.235 9.004 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.349 -2.473 10.418 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.118 -2.496 8.681 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.033 -2.485 10.864 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.041 -3.377 9.355 1.00 0.00 H new ATOM 794 N GLU A 55 -1.273 0.989 10.728 1.00 0.00 N ATOM 795 CA GLU A 55 -0.717 2.137 11.443 1.00 0.00 C ATOM 796 C GLU A 55 0.185 2.963 10.529 1.00 0.00 C ATOM 797 O GLU A 55 0.132 4.192 10.538 1.00 0.00 O ATOM 798 CB GLU A 55 0.083 1.679 12.664 1.00 0.00 C ATOM 799 CG GLU A 55 0.467 2.820 13.595 1.00 0.00 C ATOM 800 CD GLU A 55 1.374 2.384 14.725 1.00 0.00 C ATOM 801 OE1 GLU A 55 2.610 2.393 14.536 1.00 0.00 O ATOM 802 OE2 GLU A 55 0.864 2.042 15.812 1.00 0.00 O ATOM 0 H GLU A 55 -1.083 0.088 11.167 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.552 2.756 11.773 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.503 0.947 13.220 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.988 1.173 12.328 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.964 3.600 13.018 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.438 3.260 14.013 1.00 0.00 H new ATOM 809 N VAL A 56 0.993 2.272 9.732 1.00 0.00 N ATOM 810 CA VAL A 56 1.935 2.925 8.831 1.00 0.00 C ATOM 811 C VAL A 56 1.194 3.799 7.824 1.00 0.00 C ATOM 812 O VAL A 56 1.646 4.894 7.479 1.00 0.00 O ATOM 813 CB VAL A 56 2.798 1.895 8.073 1.00 0.00 C ATOM 814 CG1 VAL A 56 3.915 2.588 7.311 1.00 0.00 C ATOM 815 CG2 VAL A 56 3.363 0.860 9.032 1.00 0.00 C ATOM 0 H VAL A 56 1.014 1.253 9.692 1.00 0.00 H new ATOM 0 HA VAL A 56 2.590 3.546 9.442 1.00 0.00 H new ATOM 0 HB VAL A 56 2.162 1.381 7.352 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.512 1.844 6.783 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.486 3.286 6.592 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.549 3.132 8.011 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.969 0.143 8.478 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.982 1.356 9.780 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.544 0.338 9.527 1.00 0.00 H new ATOM 825 N VAL A 57 0.045 3.314 7.371 1.00 0.00 N ATOM 826 CA VAL A 57 -0.782 4.054 6.427 1.00 0.00 C ATOM 827 C VAL A 57 -1.321 5.324 7.076 1.00 0.00 C ATOM 828 O VAL A 57 -1.240 6.411 6.503 1.00 0.00 O ATOM 829 CB VAL A 57 -1.963 3.195 5.923 1.00 0.00 C ATOM 830 CG1 VAL A 57 -2.806 3.970 4.923 1.00 0.00 C ATOM 831 CG2 VAL A 57 -1.460 1.896 5.312 1.00 0.00 C ATOM 0 H VAL A 57 -0.336 2.408 7.643 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.155 4.317 5.575 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.593 2.948 6.778 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.632 3.345 4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.202 4.867 5.399 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.189 4.254 4.070 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.307 1.306 4.963 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.803 2.120 4.471 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.908 1.330 6.063 1.00 0.00 H new ATOM 841 N VAL A 58 -1.847 5.179 8.286 1.00 0.00 N ATOM 842 CA VAL A 58 -2.397 6.309 9.024 1.00 0.00 C ATOM 843 C VAL A 58 -1.307 7.334 9.332 1.00 0.00 C ATOM 844 O VAL A 58 -1.529 8.544 9.233 1.00 0.00 O ATOM 845 CB VAL A 58 -3.064 5.848 10.339 1.00 0.00 C ATOM 846 CG1 VAL A 58 -3.692 7.022 11.069 1.00 0.00 C ATOM 847 CG2 VAL A 58 -4.105 4.774 10.059 1.00 0.00 C ATOM 0 H VAL A 58 -1.904 4.287 8.778 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.156 6.773 8.395 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.292 5.424 10.982 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.155 6.671 11.991 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.923 7.757 11.306 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.450 7.482 10.435 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.565 4.460 10.996 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.871 5.174 9.395 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.626 3.917 9.586 1.00 0.00 H new ATOM 857 N ALA A 59 -0.126 6.840 9.684 1.00 0.00 N ATOM 858 CA ALA A 59 1.014 7.697 9.978 1.00 0.00 C ATOM 859 C ALA A 59 1.411 8.508 8.749 1.00 0.00 C ATOM 860 O ALA A 59 1.667 9.709 8.845 1.00 0.00 O ATOM 861 CB ALA A 59 2.191 6.867 10.469 1.00 0.00 C ATOM 0 H ALA A 59 0.067 5.842 9.773 1.00 0.00 H new ATOM 0 HA ALA A 59 0.725 8.391 10.767 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.034 7.523 10.684 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.906 6.333 11.376 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.476 6.150 9.700 1.00 0.00 H new ATOM 867 N ARG A 60 1.453 7.853 7.590 1.00 0.00 N ATOM 868 CA ARG A 60 1.792 8.540 6.353 1.00 0.00 C ATOM 869 C ARG A 60 0.689 9.517 5.976 1.00 0.00 C ATOM 870 O ARG A 60 0.964 10.595 5.466 1.00 0.00 O ATOM 871 CB ARG A 60 2.028 7.553 5.203 1.00 0.00 C ATOM 872 CG ARG A 60 2.602 8.213 3.953 1.00 0.00 C ATOM 873 CD ARG A 60 3.941 8.867 4.246 1.00 0.00 C ATOM 874 NE ARG A 60 4.548 9.501 3.076 1.00 0.00 N ATOM 875 CZ ARG A 60 5.868 9.601 2.895 1.00 0.00 C ATOM 876 NH1 ARG A 60 6.711 9.062 3.766 1.00 0.00 N ATOM 877 NH2 ARG A 60 6.346 10.247 1.841 1.00 0.00 N ATOM 0 H ARG A 60 1.258 6.857 7.485 1.00 0.00 H new ATOM 0 HA ARG A 60 2.720 9.086 6.523 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.709 6.771 5.538 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.085 7.068 4.950 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.722 7.468 3.167 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.903 8.961 3.579 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.808 9.616 5.027 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.626 8.115 4.638 1.00 0.00 H new ATOM 0 HE ARG A 60 3.931 9.887 2.361 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.353 8.566 4.582 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.717 9.143 3.619 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.706 10.668 1.168 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.354 10.323 1.703 1.00 0.00 H new ATOM 891 N GLY A 61 -0.556 9.136 6.242 1.00 0.00 N ATOM 892 CA GLY A 61 -1.684 10.002 5.947 1.00 0.00 C ATOM 893 C GLY A 61 -1.553 11.369 6.590 1.00 0.00 C ATOM 894 O GLY A 61 -1.778 12.393 5.946 1.00 0.00 O ATOM 0 H GLY A 61 -0.805 8.239 6.659 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.774 10.120 4.867 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.602 9.528 6.294 1.00 0.00 H new ATOM 898 N GLU A 62 -1.166 11.383 7.856 1.00 0.00 N ATOM 899 CA GLU A 62 -0.984 12.626 8.591 1.00 0.00 C ATOM 900 C GLU A 62 0.260 13.374 8.119 1.00 0.00 C ATOM 901 O GLU A 62 0.213 14.578 7.870 1.00 0.00 O ATOM 902 CB GLU A 62 -0.886 12.336 10.090 1.00 0.00 C ATOM 903 CG GLU A 62 -2.209 11.927 10.715 1.00 0.00 C ATOM 904 CD GLU A 62 -3.244 13.032 10.638 1.00 0.00 C ATOM 905 OE1 GLU A 62 -3.209 13.942 11.491 1.00 0.00 O ATOM 906 OE2 GLU A 62 -4.085 13.008 9.718 1.00 0.00 O ATOM 0 H GLU A 62 -0.971 10.542 8.399 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.849 13.261 8.401 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.156 11.543 10.252 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.511 13.223 10.600 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.589 11.040 10.209 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.047 11.655 11.758 1.00 0.00 H new ATOM 913 N GLN A 63 1.365 12.652 7.988 1.00 0.00 N ATOM 914 CA GLN A 63 2.644 13.260 7.631 1.00 0.00 C ATOM 915 C GLN A 63 2.632 13.789 6.197 1.00 0.00 C ATOM 916 O GLN A 63 3.110 14.891 5.925 1.00 0.00 O ATOM 917 CB GLN A 63 3.772 12.230 7.825 1.00 0.00 C ATOM 918 CG GLN A 63 5.184 12.776 7.622 1.00 0.00 C ATOM 919 CD GLN A 63 5.618 12.816 6.166 1.00 0.00 C ATOM 920 OE1 GLN A 63 5.125 11.883 5.368 1.00 0.00 O flip ATOM 921 NE2 GLN A 63 6.411 13.668 5.768 1.00 0.00 N flip ATOM 0 H GLN A 63 1.403 11.642 8.124 1.00 0.00 H new ATOM 0 HA GLN A 63 2.818 14.113 8.286 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.699 11.818 8.832 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.614 11.405 7.131 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.238 13.783 8.036 1.00 0.00 H new ATOM 0 HG3 GLN A 63 5.886 12.161 8.185 1.00 0.00 H new ATOM 0 HE21 GLN A 63 6.770 14.372 6.413 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.710 13.671 4.793 1.00 0.00 H new ATOM 930 N GLU A 64 2.069 13.006 5.294 1.00 0.00 N ATOM 931 CA GLU A 64 2.119 13.312 3.873 1.00 0.00 C ATOM 932 C GLU A 64 0.994 14.271 3.486 1.00 0.00 C ATOM 933 O GLU A 64 1.158 15.108 2.597 1.00 0.00 O ATOM 934 CB GLU A 64 2.016 12.012 3.073 1.00 0.00 C ATOM 935 CG GLU A 64 2.378 12.142 1.605 1.00 0.00 C ATOM 936 CD GLU A 64 3.854 12.395 1.373 1.00 0.00 C ATOM 937 OE1 GLU A 64 4.395 13.388 1.897 1.00 0.00 O ATOM 938 OE2 GLU A 64 4.479 11.589 0.659 1.00 0.00 O ATOM 0 H GLU A 64 1.568 12.147 5.521 1.00 0.00 H new ATOM 0 HA GLU A 64 3.066 13.801 3.646 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.668 11.267 3.530 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.997 11.633 3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.086 11.230 1.084 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.803 12.958 1.167 1.00 0.00 H new ATOM 945 N GLY A 65 -0.139 14.150 4.165 1.00 0.00 N ATOM 946 CA GLY A 65 -1.257 15.034 3.904 1.00 0.00 C ATOM 947 C GLY A 65 -2.328 14.375 3.060 1.00 0.00 C ATOM 948 O GLY A 65 -2.603 14.812 1.943 1.00 0.00 O ATOM 0 H GLY A 65 -0.304 13.454 4.893 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.691 15.356 4.851 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.898 15.930 3.397 1.00 0.00 H new ATOM 952 N TRP A 66 -2.924 13.315 3.588 1.00 0.00 N ATOM 953 CA TRP A 66 -3.963 12.589 2.871 1.00 0.00 C ATOM 954 C TRP A 66 -5.343 12.958 3.408 1.00 0.00 C ATOM 955 O TRP A 66 -5.488 13.338 4.573 1.00 0.00 O ATOM 956 CB TRP A 66 -3.766 11.075 3.001 1.00 0.00 C ATOM 957 CG TRP A 66 -2.469 10.557 2.452 1.00 0.00 C ATOM 958 CD1 TRP A 66 -1.479 11.270 1.838 1.00 0.00 C ATOM 959 CD2 TRP A 66 -2.029 9.195 2.469 1.00 0.00 C ATOM 960 NE1 TRP A 66 -0.454 10.433 1.476 1.00 0.00 N ATOM 961 CE2 TRP A 66 -0.767 9.157 1.852 1.00 0.00 C ATOM 962 CE3 TRP A 66 -2.582 8.001 2.949 1.00 0.00 C ATOM 963 CZ2 TRP A 66 -0.048 7.977 1.701 1.00 0.00 C ATOM 964 CZ3 TRP A 66 -1.865 6.830 2.796 1.00 0.00 C ATOM 965 CH2 TRP A 66 -0.611 6.826 2.178 1.00 0.00 C ATOM 0 H TRP A 66 -2.706 12.939 4.511 1.00 0.00 H new ATOM 0 HA TRP A 66 -3.893 12.869 1.820 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -3.832 10.804 4.055 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -4.587 10.571 2.490 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -1.500 12.336 1.663 1.00 0.00 H new ATOM 0 HE1 TRP A 66 0.404 10.717 1.002 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.549 7.996 3.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 0.921 7.970 1.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -2.280 5.902 3.160 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -0.076 5.894 2.075 1.00 0.00 H new ATOM 976 N ASN A 67 -6.351 12.846 2.553 1.00 0.00 N ATOM 977 CA ASN A 67 -7.735 13.062 2.961 1.00 0.00 C ATOM 978 C ASN A 67 -8.147 12.051 4.030 1.00 0.00 C ATOM 979 O ASN A 67 -7.757 10.881 3.969 1.00 0.00 O ATOM 980 CB ASN A 67 -8.675 12.937 1.759 1.00 0.00 C ATOM 981 CG ASN A 67 -8.609 14.122 0.817 1.00 0.00 C ATOM 982 OD1 ASN A 67 -7.761 14.180 -0.069 1.00 0.00 O ATOM 983 ND2 ASN A 67 -9.535 15.052 0.977 1.00 0.00 N ATOM 0 H ASN A 67 -6.236 12.606 1.568 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.808 14.068 3.373 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.429 12.030 1.207 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.698 12.824 2.118 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.563 15.857 0.351 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.221 14.965 1.727 1.00 0.00 H new ATOM 990 N PRO A 68 -8.947 12.490 5.020 1.00 0.00 N ATOM 991 CA PRO A 68 -9.450 11.614 6.090 1.00 0.00 C ATOM 992 C PRO A 68 -10.183 10.396 5.534 1.00 0.00 C ATOM 993 O PRO A 68 -9.948 9.265 5.958 1.00 0.00 O ATOM 994 CB PRO A 68 -10.419 12.516 6.865 1.00 0.00 C ATOM 995 CG PRO A 68 -9.954 13.902 6.583 1.00 0.00 C ATOM 996 CD PRO A 68 -9.418 13.877 5.179 1.00 0.00 C ATOM 0 HA PRO A 68 -8.644 11.211 6.703 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.447 12.369 6.535 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.393 12.299 7.933 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -10.773 14.616 6.676 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.183 14.207 7.290 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.189 14.126 4.450 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.609 14.594 5.045 1.00 0.00 H new ATOM 1004 N GLU A 69 -11.054 10.641 4.557 1.00 0.00 N ATOM 1005 CA GLU A 69 -11.826 9.581 3.915 1.00 0.00 C ATOM 1006 C GLU A 69 -10.907 8.528 3.299 1.00 0.00 C ATOM 1007 O GLU A 69 -11.173 7.327 3.390 1.00 0.00 O ATOM 1008 CB GLU A 69 -12.721 10.171 2.823 1.00 0.00 C ATOM 1009 CG GLU A 69 -13.737 11.173 3.339 1.00 0.00 C ATOM 1010 CD GLU A 69 -14.746 10.547 4.273 1.00 0.00 C ATOM 1011 OE1 GLU A 69 -15.606 9.778 3.794 1.00 0.00 O ATOM 1012 OE2 GLU A 69 -14.698 10.826 5.489 1.00 0.00 O ATOM 0 H GLU A 69 -11.243 11.574 4.191 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.441 9.105 4.679 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.094 10.656 2.075 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.248 9.360 2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.217 11.978 3.858 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.259 11.623 2.495 1.00 0.00 H new ATOM 1019 N PHE A 70 -9.827 8.991 2.684 1.00 0.00 N ATOM 1020 CA PHE A 70 -8.874 8.110 2.027 1.00 0.00 C ATOM 1021 C PHE A 70 -8.169 7.230 3.056 1.00 0.00 C ATOM 1022 O PHE A 70 -8.277 6.005 3.012 1.00 0.00 O ATOM 1023 CB PHE A 70 -7.850 8.940 1.241 1.00 0.00 C ATOM 1024 CG PHE A 70 -6.895 8.120 0.423 1.00 0.00 C ATOM 1025 CD1 PHE A 70 -7.304 7.528 -0.762 1.00 0.00 C ATOM 1026 CD2 PHE A 70 -5.583 7.946 0.833 1.00 0.00 C ATOM 1027 CE1 PHE A 70 -6.425 6.778 -1.520 1.00 0.00 C ATOM 1028 CE2 PHE A 70 -4.700 7.198 0.080 1.00 0.00 C ATOM 1029 CZ PHE A 70 -5.121 6.614 -1.098 1.00 0.00 C ATOM 0 H PHE A 70 -9.589 9.981 2.627 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.411 7.464 1.332 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.383 9.624 0.580 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.280 9.552 1.941 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.323 7.655 -1.097 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.247 8.401 1.753 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.758 6.321 -2.440 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.680 7.070 0.412 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.431 6.030 -1.689 1.00 0.00 H new ATOM 1039 N THR A 71 -7.483 7.867 3.999 1.00 0.00 N ATOM 1040 CA THR A 71 -6.710 7.158 5.014 1.00 0.00 C ATOM 1041 C THR A 71 -7.580 6.164 5.793 1.00 0.00 C ATOM 1042 O THR A 71 -7.162 5.034 6.059 1.00 0.00 O ATOM 1043 CB THR A 71 -6.067 8.157 5.992 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.388 9.181 5.254 1.00 0.00 O ATOM 1045 CG2 THR A 71 -5.080 7.463 6.918 1.00 0.00 C ATOM 0 H THR A 71 -7.447 8.883 4.082 1.00 0.00 H new ATOM 0 HA THR A 71 -5.929 6.598 4.499 1.00 0.00 H new ATOM 0 HB THR A 71 -6.858 8.596 6.600 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.980 9.818 5.877 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.642 8.195 7.597 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.599 6.697 7.495 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.291 6.999 6.327 1.00 0.00 H new ATOM 1053 N LYS A 72 -8.791 6.593 6.134 1.00 0.00 N ATOM 1054 CA LYS A 72 -9.735 5.762 6.876 1.00 0.00 C ATOM 1055 C LYS A 72 -10.006 4.448 6.141 1.00 0.00 C ATOM 1056 O LYS A 72 -9.906 3.359 6.717 1.00 0.00 O ATOM 1057 CB LYS A 72 -11.046 6.533 7.062 1.00 0.00 C ATOM 1058 CG LYS A 72 -12.114 5.787 7.844 1.00 0.00 C ATOM 1059 CD LYS A 72 -11.713 5.583 9.294 1.00 0.00 C ATOM 1060 CE LYS A 72 -12.833 4.938 10.090 1.00 0.00 C ATOM 1061 NZ LYS A 72 -12.487 4.801 11.525 1.00 0.00 N ATOM 0 H LYS A 72 -9.145 7.522 5.905 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.302 5.523 7.847 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.831 7.472 7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.445 6.788 6.080 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.051 6.343 7.801 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.296 4.819 7.378 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.822 4.957 9.343 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.453 6.543 9.740 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.739 5.536 9.991 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.053 3.955 9.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.279 4.356 12.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.637 4.209 11.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.302 5.741 11.929 1.00 0.00 H new ATOM 1075 N LYS A 73 -10.336 4.560 4.864 1.00 0.00 N ATOM 1076 CA LYS A 73 -10.696 3.407 4.065 1.00 0.00 C ATOM 1077 C LYS A 73 -9.481 2.546 3.740 1.00 0.00 C ATOM 1078 O LYS A 73 -9.542 1.323 3.850 1.00 0.00 O ATOM 1079 CB LYS A 73 -11.411 3.872 2.799 1.00 0.00 C ATOM 1080 CG LYS A 73 -12.812 4.377 3.090 1.00 0.00 C ATOM 1081 CD LYS A 73 -13.364 5.251 1.980 1.00 0.00 C ATOM 1082 CE LYS A 73 -14.804 5.642 2.277 1.00 0.00 C ATOM 1083 NZ LYS A 73 -15.293 6.747 1.411 1.00 0.00 N ATOM 0 H LYS A 73 -10.361 5.446 4.359 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.374 2.778 4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.831 4.664 2.325 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.463 3.047 2.088 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.476 3.526 3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.803 4.943 4.022 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.752 6.147 1.876 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.314 4.718 1.030 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.446 4.771 2.144 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.886 5.942 3.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.278 6.971 1.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.700 7.589 1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.243 6.455 0.414 1.00 0.00 H new ATOM 1097 N VAL A 74 -8.370 3.180 3.373 1.00 0.00 N ATOM 1098 CA VAL A 74 -7.155 2.440 3.042 1.00 0.00 C ATOM 1099 C VAL A 74 -6.663 1.642 4.248 1.00 0.00 C ATOM 1100 O VAL A 74 -6.187 0.516 4.106 1.00 0.00 O ATOM 1101 CB VAL A 74 -6.021 3.367 2.543 1.00 0.00 C ATOM 1102 CG1 VAL A 74 -4.768 2.567 2.206 1.00 0.00 C ATOM 1103 CG2 VAL A 74 -6.475 4.170 1.336 1.00 0.00 C ATOM 0 H VAL A 74 -8.286 4.194 3.298 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.416 1.759 2.232 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.777 4.059 3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.987 3.243 1.858 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.422 2.041 3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.997 1.844 1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.662 4.815 1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.754 3.490 0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.335 4.782 1.609 1.00 0.00 H new ATOM 1113 N ALA A 75 -6.785 2.229 5.438 1.00 0.00 N ATOM 1114 CA ALA A 75 -6.409 1.539 6.667 1.00 0.00 C ATOM 1115 C ALA A 75 -7.233 0.275 6.844 1.00 0.00 C ATOM 1116 O ALA A 75 -6.698 -0.781 7.180 1.00 0.00 O ATOM 1117 CB ALA A 75 -6.578 2.447 7.874 1.00 0.00 C ATOM 0 H ALA A 75 -7.139 3.176 5.575 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.357 1.264 6.588 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.291 1.909 8.777 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.945 3.327 7.759 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.620 2.758 7.952 1.00 0.00 H new ATOM 1123 N GLY A 76 -8.534 0.390 6.597 1.00 0.00 N ATOM 1124 CA GLY A 76 -9.416 -0.759 6.687 1.00 0.00 C ATOM 1125 C GLY A 76 -8.983 -1.894 5.775 1.00 0.00 C ATOM 1126 O GLY A 76 -9.021 -3.067 6.160 1.00 0.00 O ATOM 0 H GLY A 76 -8.994 1.262 6.335 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.442 -1.114 7.717 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.431 -0.456 6.429 1.00 0.00 H new ATOM 1130 N TRP A 77 -8.560 -1.543 4.564 1.00 0.00 N ATOM 1131 CA TRP A 77 -8.081 -2.530 3.605 1.00 0.00 C ATOM 1132 C TRP A 77 -6.805 -3.174 4.128 1.00 0.00 C ATOM 1133 O TRP A 77 -6.652 -4.395 4.092 1.00 0.00 O ATOM 1134 CB TRP A 77 -7.827 -1.884 2.232 1.00 0.00 C ATOM 1135 CG TRP A 77 -8.976 -1.045 1.749 1.00 0.00 C ATOM 1136 CD1 TRP A 77 -10.293 -1.202 2.066 1.00 0.00 C ATOM 1137 CD2 TRP A 77 -8.911 0.074 0.856 1.00 0.00 C ATOM 1138 NE1 TRP A 77 -11.045 -0.234 1.452 1.00 0.00 N ATOM 1139 CE2 TRP A 77 -10.225 0.559 0.700 1.00 0.00 C ATOM 1140 CE3 TRP A 77 -7.870 0.720 0.183 1.00 0.00 C ATOM 1141 CZ2 TRP A 77 -10.524 1.655 -0.102 1.00 0.00 C ATOM 1142 CZ3 TRP A 77 -8.171 1.807 -0.617 1.00 0.00 C ATOM 1143 CH2 TRP A 77 -9.487 2.266 -0.750 1.00 0.00 C ATOM 0 H TRP A 77 -8.540 -0.581 4.225 1.00 0.00 H new ATOM 0 HA TRP A 77 -8.847 -3.295 3.481 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -6.932 -1.264 2.290 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.625 -2.667 1.501 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -10.687 -1.977 2.708 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -12.055 -0.124 1.542 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -6.851 0.377 0.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -11.538 2.010 -0.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -7.377 2.311 -1.148 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -9.687 3.121 -1.378 1.00 0.00 H new ATOM 1154 N ALA A 78 -5.912 -2.340 4.658 1.00 0.00 N ATOM 1155 CA ALA A 78 -4.644 -2.806 5.208 1.00 0.00 C ATOM 1156 C ALA A 78 -4.868 -3.753 6.382 1.00 0.00 C ATOM 1157 O ALA A 78 -4.134 -4.725 6.546 1.00 0.00 O ATOM 1158 CB ALA A 78 -3.782 -1.625 5.630 1.00 0.00 C ATOM 0 H ALA A 78 -6.047 -1.331 4.717 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.120 -3.358 4.428 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.840 -1.990 6.038 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.582 -0.993 4.765 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.306 -1.045 6.390 1.00 0.00 H new ATOM 1164 N GLU A 79 -5.886 -3.466 7.194 1.00 0.00 N ATOM 1165 CA GLU A 79 -6.249 -4.334 8.313 1.00 0.00 C ATOM 1166 C GLU A 79 -6.546 -5.745 7.820 1.00 0.00 C ATOM 1167 O GLU A 79 -6.040 -6.733 8.363 1.00 0.00 O ATOM 1168 CB GLU A 79 -7.481 -3.797 9.041 1.00 0.00 C ATOM 1169 CG GLU A 79 -7.280 -2.453 9.713 1.00 0.00 C ATOM 1170 CD GLU A 79 -8.530 -1.985 10.423 1.00 0.00 C ATOM 1171 OE1 GLU A 79 -9.527 -1.678 9.742 1.00 0.00 O ATOM 1172 OE2 GLU A 79 -8.526 -1.927 11.670 1.00 0.00 O ATOM 0 H GLU A 79 -6.474 -2.638 7.097 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.404 -4.355 9.001 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -8.301 -3.713 8.327 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -7.787 -4.523 9.794 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.461 -2.524 10.429 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.988 -1.714 8.967 1.00 0.00 H new ATOM 1179 N LYS A 80 -7.371 -5.828 6.784 1.00 0.00 N ATOM 1180 CA LYS A 80 -7.770 -7.104 6.213 1.00 0.00 C ATOM 1181 C LYS A 80 -6.580 -7.789 5.544 1.00 0.00 C ATOM 1182 O LYS A 80 -6.448 -9.011 5.592 1.00 0.00 O ATOM 1183 CB LYS A 80 -8.907 -6.881 5.213 1.00 0.00 C ATOM 1184 CG LYS A 80 -10.077 -6.122 5.815 1.00 0.00 C ATOM 1185 CD LYS A 80 -11.130 -5.776 4.779 1.00 0.00 C ATOM 1186 CE LYS A 80 -12.141 -4.789 5.343 1.00 0.00 C ATOM 1187 NZ LYS A 80 -13.225 -4.479 4.377 1.00 0.00 N ATOM 0 H LYS A 80 -7.779 -5.017 6.320 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.124 -7.759 7.009 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.526 -6.330 4.353 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.256 -7.846 4.845 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.530 -6.722 6.604 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.713 -5.206 6.280 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.652 -5.350 3.897 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.642 -6.683 4.457 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.576 -5.199 6.255 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.630 -3.867 5.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.889 -3.803 4.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.815 -4.063 3.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.732 -5.353 4.131 1.00 0.00 H new ATOM 1201 N VAL A 81 -5.709 -6.989 4.936 1.00 0.00 N ATOM 1202 CA VAL A 81 -4.481 -7.499 4.336 1.00 0.00 C ATOM 1203 C VAL A 81 -3.587 -8.137 5.399 1.00 0.00 C ATOM 1204 O VAL A 81 -3.116 -9.264 5.236 1.00 0.00 O ATOM 1205 CB VAL A 81 -3.702 -6.377 3.608 1.00 0.00 C ATOM 1206 CG1 VAL A 81 -2.331 -6.857 3.164 1.00 0.00 C ATOM 1207 CG2 VAL A 81 -4.495 -5.874 2.414 1.00 0.00 C ATOM 0 H VAL A 81 -5.832 -5.980 4.846 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.764 -8.255 3.604 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.560 -5.556 4.311 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.809 -6.046 2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.755 -7.170 4.035 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.444 -7.700 2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.935 -5.085 1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.667 -6.696 1.719 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.453 -5.479 2.753 1.00 0.00 H new ATOM 1217 N ALA A 82 -3.379 -7.420 6.498 1.00 0.00 N ATOM 1218 CA ALA A 82 -2.570 -7.922 7.605 1.00 0.00 C ATOM 1219 C ALA A 82 -3.194 -9.177 8.208 1.00 0.00 C ATOM 1220 O ALA A 82 -2.492 -10.125 8.561 1.00 0.00 O ATOM 1221 CB ALA A 82 -2.402 -6.849 8.673 1.00 0.00 C ATOM 0 H ALA A 82 -3.761 -6.486 6.647 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.586 -8.182 7.215 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.796 -7.241 9.490 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.908 -5.979 8.240 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.381 -6.558 9.054 1.00 0.00 H new ATOM 1227 N SER A 83 -4.518 -9.182 8.298 1.00 0.00 N ATOM 1228 CA SER A 83 -5.250 -10.315 8.852 1.00 0.00 C ATOM 1229 C SER A 83 -5.238 -11.496 7.879 1.00 0.00 C ATOM 1230 O SER A 83 -5.533 -12.630 8.257 1.00 0.00 O ATOM 1231 CB SER A 83 -6.691 -9.896 9.165 1.00 0.00 C ATOM 1232 OG SER A 83 -7.402 -10.920 9.845 1.00 0.00 O ATOM 0 H SER A 83 -5.110 -8.410 7.993 1.00 0.00 H new ATOM 0 HA SER A 83 -4.761 -10.631 9.774 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.683 -8.993 9.775 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.207 -9.649 8.237 1.00 0.00 H new ATOM 0 HG SER A 83 -7.881 -11.474 9.194 1.00 0.00 H new ATOM 1238 N GLY A 84 -4.905 -11.221 6.625 1.00 0.00 N ATOM 1239 CA GLY A 84 -4.837 -12.271 5.632 1.00 0.00 C ATOM 1240 C GLY A 84 -6.196 -12.631 5.080 1.00 0.00 C ATOM 1241 O GLY A 84 -6.433 -13.774 4.698 1.00 0.00 O ATOM 0 H GLY A 84 -4.681 -10.288 6.279 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.189 -11.953 4.815 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -4.381 -13.157 6.075 1.00 0.00 H new ATOM 1245 N ASN A 85 -7.093 -11.659 5.049 1.00 0.00 N ATOM 1246 CA ASN A 85 -8.430 -11.876 4.518 1.00 0.00 C ATOM 1247 C ASN A 85 -8.497 -11.401 3.077 1.00 0.00 C ATOM 1248 O ASN A 85 -7.722 -10.535 2.658 1.00 0.00 O ATOM 1249 CB ASN A 85 -9.492 -11.136 5.345 1.00 0.00 C ATOM 1250 CG ASN A 85 -9.724 -11.724 6.731 1.00 0.00 C ATOM 1251 OD1 ASN A 85 -8.703 -12.337 7.305 1.00 0.00 O flip ATOM 1252 ND2 ASN A 85 -10.820 -11.627 7.281 1.00 0.00 N flip ATOM 0 H ASN A 85 -6.920 -10.712 5.385 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.638 -12.945 4.569 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -9.193 -10.093 5.450 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -10.434 -11.144 4.797 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -11.587 -11.147 6.809 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -10.962 -12.026 8.209 1.00 0.00 H new ATOM 1259 N ARG A 86 -9.405 -11.981 2.319 1.00 0.00 N ATOM 1260 CA ARG A 86 -9.621 -11.581 0.941 1.00 0.00 C ATOM 1261 C ARG A 86 -10.432 -10.291 0.887 1.00 0.00 C ATOM 1262 O ARG A 86 -11.349 -10.084 1.681 1.00 0.00 O ATOM 1263 CB ARG A 86 -10.325 -12.698 0.179 1.00 0.00 C ATOM 1264 CG ARG A 86 -11.663 -13.102 0.774 1.00 0.00 C ATOM 1265 CD ARG A 86 -12.128 -14.423 0.197 1.00 0.00 C ATOM 1266 NE ARG A 86 -13.510 -14.733 0.555 1.00 0.00 N ATOM 1267 CZ ARG A 86 -13.920 -15.934 0.953 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -13.045 -16.913 1.138 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -15.211 -16.149 1.164 1.00 0.00 N ATOM 0 H ARG A 86 -10.011 -12.738 2.636 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.657 -11.396 0.468 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.478 -12.380 -0.852 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.673 -13.571 0.150 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.575 -13.183 1.857 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.405 -12.330 0.571 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.035 -14.395 -0.889 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.476 -15.221 0.552 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.201 -13.985 0.496 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.052 -16.747 0.975 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.365 -17.832 1.443 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -15.884 -15.396 1.021 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -15.532 -17.068 1.469 1.00 0.00 H new ATOM 1283 N ILE A 87 -10.088 -9.428 -0.053 1.00 0.00 N ATOM 1284 CA ILE A 87 -10.721 -8.124 -0.152 1.00 0.00 C ATOM 1285 C ILE A 87 -11.464 -7.983 -1.471 1.00 0.00 C ATOM 1286 O ILE A 87 -11.202 -8.719 -2.426 1.00 0.00 O ATOM 1287 CB ILE A 87 -9.694 -6.975 -0.017 1.00 0.00 C ATOM 1288 CG1 ILE A 87 -8.657 -7.038 -1.145 1.00 0.00 C ATOM 1289 CG2 ILE A 87 -9.011 -7.036 1.342 1.00 0.00 C ATOM 1290 CD1 ILE A 87 -7.668 -5.891 -1.124 1.00 0.00 C ATOM 0 H ILE A 87 -9.374 -9.607 -0.759 1.00 0.00 H new ATOM 0 HA ILE A 87 -11.429 -8.052 0.674 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.225 -6.026 -0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.111 -7.979 -1.073 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.175 -7.042 -2.104 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.291 -6.222 1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.758 -6.940 2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.494 -7.990 1.447 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.965 -6.001 -1.950 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.203 -4.947 -1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.123 -5.898 -0.180 1.00 0.00 H new ATOM 1302 N LEU A 88 -12.399 -7.049 -1.518 1.00 0.00 N ATOM 1303 CA LEU A 88 -13.177 -6.808 -2.718 1.00 0.00 C ATOM 1304 C LEU A 88 -12.463 -5.805 -3.619 1.00 0.00 C ATOM 1305 O LEU A 88 -12.361 -4.616 -3.295 1.00 0.00 O ATOM 1306 CB LEU A 88 -14.576 -6.302 -2.337 1.00 0.00 C ATOM 1307 CG LEU A 88 -15.661 -6.434 -3.414 1.00 0.00 C ATOM 1308 CD1 LEU A 88 -17.035 -6.267 -2.790 1.00 0.00 C ATOM 1309 CD2 LEU A 88 -15.475 -5.410 -4.524 1.00 0.00 C ATOM 0 H LEU A 88 -12.637 -6.443 -0.733 1.00 0.00 H new ATOM 0 HA LEU A 88 -13.283 -7.742 -3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -14.906 -6.843 -1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -14.496 -5.251 -2.058 1.00 0.00 H new ATOM 0 HG LEU A 88 -15.574 -7.428 -3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -17.799 -6.362 -3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -17.187 -7.036 -2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -17.107 -5.283 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -16.261 -5.534 -5.269 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -15.527 -4.405 -4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.503 -5.557 -4.995 1.00 0.00 H new ATOM 1321 N ILE A 89 -11.951 -6.297 -4.736 1.00 0.00 N ATOM 1322 CA ILE A 89 -11.331 -5.438 -5.728 1.00 0.00 C ATOM 1323 C ILE A 89 -12.312 -5.213 -6.878 1.00 0.00 C ATOM 1324 O ILE A 89 -13.161 -6.064 -7.148 1.00 0.00 O ATOM 1325 CB ILE A 89 -9.999 -6.036 -6.251 1.00 0.00 C ATOM 1326 CG1 ILE A 89 -9.177 -4.971 -6.987 1.00 0.00 C ATOM 1327 CG2 ILE A 89 -10.257 -7.231 -7.165 1.00 0.00 C ATOM 1328 CD1 ILE A 89 -7.801 -5.448 -7.405 1.00 0.00 C ATOM 0 H ILE A 89 -11.953 -7.288 -4.977 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.089 -4.483 -5.261 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.428 -6.381 -5.389 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.725 -4.649 -7.872 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.070 -4.098 -6.343 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -9.306 -7.631 -7.518 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -10.793 -8.003 -6.612 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.856 -6.914 -8.018 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -7.277 -4.642 -7.920 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -7.234 -5.743 -6.522 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -7.900 -6.302 -8.075 1.00 0.00 H new ATOM 1340 N LYS A 90 -12.216 -4.065 -7.522 1.00 0.00 N ATOM 1341 CA LYS A 90 -13.138 -3.708 -8.595 1.00 0.00 C ATOM 1342 C LYS A 90 -12.654 -4.304 -9.907 1.00 0.00 C ATOM 1343 O LYS A 90 -13.348 -5.093 -10.551 1.00 0.00 O ATOM 1344 CB LYS A 90 -13.222 -2.184 -8.710 1.00 0.00 C ATOM 1345 CG LYS A 90 -13.169 -1.486 -7.360 1.00 0.00 C ATOM 1346 CD LYS A 90 -13.092 0.024 -7.496 1.00 0.00 C ATOM 1347 CE LYS A 90 -14.451 0.630 -7.778 1.00 0.00 C ATOM 1348 NZ LYS A 90 -14.444 2.102 -7.579 1.00 0.00 N ATOM 0 H LYS A 90 -11.508 -3.358 -7.323 1.00 0.00 H new ATOM 0 HA LYS A 90 -14.128 -4.105 -8.371 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -12.401 -1.826 -9.331 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.148 -1.913 -9.218 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.053 -1.752 -6.781 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.303 -1.843 -6.802 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -12.686 0.452 -6.580 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.404 0.282 -8.301 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -14.747 0.402 -8.802 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -15.195 0.177 -7.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -15.404 2.425 -7.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.797 2.344 -6.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -14.126 2.569 -8.452 1.00 0.00 H new ATOM 1362 N ASN A 91 -11.450 -3.922 -10.277 1.00 0.00 N ATOM 1363 CA ASN A 91 -10.810 -4.423 -11.477 1.00 0.00 C ATOM 1364 C ASN A 91 -9.635 -5.314 -11.101 1.00 0.00 C ATOM 1365 O ASN A 91 -8.756 -4.892 -10.353 1.00 0.00 O ATOM 1366 CB ASN A 91 -10.347 -3.257 -12.353 1.00 0.00 C ATOM 1367 CG ASN A 91 -9.670 -2.163 -11.553 1.00 0.00 C ATOM 1368 OD1 ASN A 91 -10.317 -1.224 -11.086 1.00 0.00 O ATOM 1369 ND2 ASN A 91 -8.373 -2.283 -11.364 1.00 0.00 N ATOM 0 H ASN A 91 -10.885 -3.253 -9.753 1.00 0.00 H new ATOM 0 HA ASN A 91 -11.527 -5.014 -12.046 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -9.657 -3.628 -13.111 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.205 -2.839 -12.880 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -7.871 -1.585 -10.815 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.870 -3.074 -11.766 1.00 0.00 H new ATOM 1376 N PRO A 92 -9.621 -6.566 -11.588 1.00 0.00 N ATOM 1377 CA PRO A 92 -8.557 -7.532 -11.285 1.00 0.00 C ATOM 1378 C PRO A 92 -7.158 -6.994 -11.585 1.00 0.00 C ATOM 1379 O PRO A 92 -6.194 -7.383 -10.931 1.00 0.00 O ATOM 1380 CB PRO A 92 -8.870 -8.738 -12.179 1.00 0.00 C ATOM 1381 CG PRO A 92 -9.924 -8.276 -13.132 1.00 0.00 C ATOM 1382 CD PRO A 92 -10.652 -7.156 -12.448 1.00 0.00 C ATOM 0 HA PRO A 92 -8.543 -7.773 -10.222 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.980 -9.071 -12.712 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -9.221 -9.583 -11.587 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -9.480 -7.936 -14.068 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -10.607 -9.089 -13.380 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -11.043 -6.433 -13.164 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -11.500 -7.521 -11.869 1.00 0.00 H new ATOM 1390 N GLU A 93 -7.047 -6.122 -12.583 1.00 0.00 N ATOM 1391 CA GLU A 93 -5.777 -5.457 -12.865 1.00 0.00 C ATOM 1392 C GLU A 93 -5.375 -4.570 -11.690 1.00 0.00 C ATOM 1393 O GLU A 93 -5.863 -3.448 -11.553 1.00 0.00 O ATOM 1394 CB GLU A 93 -5.840 -4.596 -14.131 1.00 0.00 C ATOM 1395 CG GLU A 93 -6.236 -5.346 -15.395 1.00 0.00 C ATOM 1396 CD GLU A 93 -7.735 -5.461 -15.569 1.00 0.00 C ATOM 1397 OE1 GLU A 93 -8.324 -6.444 -15.076 1.00 0.00 O ATOM 1398 OE2 GLU A 93 -8.332 -4.571 -16.207 1.00 0.00 O ATOM 0 H GLU A 93 -7.812 -5.861 -13.205 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.038 -6.243 -13.021 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.552 -3.787 -13.968 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.865 -4.136 -14.289 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.813 -4.836 -16.261 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -5.801 -6.345 -15.369 1.00 0.00 H new ATOM 1405 N TYR A 94 -4.498 -5.090 -10.839 1.00 0.00 N ATOM 1406 CA TYR A 94 -4.022 -4.360 -9.671 1.00 0.00 C ATOM 1407 C TYR A 94 -3.338 -3.069 -10.096 1.00 0.00 C ATOM 1408 O TYR A 94 -3.744 -1.974 -9.708 1.00 0.00 O ATOM 1409 CB TYR A 94 -3.036 -5.217 -8.873 1.00 0.00 C ATOM 1410 CG TYR A 94 -3.541 -6.608 -8.542 1.00 0.00 C ATOM 1411 CD1 TYR A 94 -3.395 -7.653 -9.447 1.00 0.00 C ATOM 1412 CD2 TYR A 94 -4.153 -6.876 -7.325 1.00 0.00 C ATOM 1413 CE1 TYR A 94 -3.848 -8.923 -9.147 1.00 0.00 C ATOM 1414 CE2 TYR A 94 -4.609 -8.145 -7.018 1.00 0.00 C ATOM 1415 CZ TYR A 94 -4.455 -9.165 -7.933 1.00 0.00 C ATOM 1416 OH TYR A 94 -4.902 -10.432 -7.629 1.00 0.00 O ATOM 0 H TYR A 94 -4.099 -6.024 -10.938 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.881 -4.122 -9.044 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.109 -5.305 -9.439 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.794 -4.701 -7.944 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.920 -7.469 -10.399 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.275 -6.080 -6.606 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.727 -9.724 -9.861 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.083 -8.336 -6.067 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.304 -10.431 -6.735 1.00 0.00 H new ATOM 1426 N PHE A 95 -2.293 -3.214 -10.898 1.00 0.00 N ATOM 1427 CA PHE A 95 -1.544 -2.080 -11.409 1.00 0.00 C ATOM 1428 C PHE A 95 -0.719 -2.511 -12.614 1.00 0.00 C ATOM 1429 O PHE A 95 -0.645 -3.702 -12.927 1.00 0.00 O ATOM 1430 CB PHE A 95 -0.647 -1.474 -10.320 1.00 0.00 C ATOM 1431 CG PHE A 95 0.193 -2.473 -9.575 1.00 0.00 C ATOM 1432 CD1 PHE A 95 1.430 -2.858 -10.057 1.00 0.00 C ATOM 1433 CD2 PHE A 95 -0.259 -3.024 -8.387 1.00 0.00 C ATOM 1434 CE1 PHE A 95 2.200 -3.772 -9.371 1.00 0.00 C ATOM 1435 CE2 PHE A 95 0.508 -3.939 -7.696 1.00 0.00 C ATOM 1436 CZ PHE A 95 1.740 -4.314 -8.189 1.00 0.00 C ATOM 0 H PHE A 95 -1.943 -4.119 -11.211 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.248 -1.308 -11.720 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.011 -0.736 -10.779 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -1.275 -0.942 -9.605 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.797 -2.438 -10.982 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -1.223 -2.734 -7.997 1.00 0.00 H new ATOM 0 HE1 PHE A 95 3.165 -4.064 -9.759 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.144 -4.361 -6.771 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.343 -5.030 -7.651 1.00 0.00 H new ATOM 1446 N SER A 96 -0.099 -1.551 -13.277 1.00 0.00 N ATOM 1447 CA SER A 96 0.606 -1.813 -14.521 1.00 0.00 C ATOM 1448 C SER A 96 2.020 -2.354 -14.269 1.00 0.00 C ATOM 1449 O SER A 96 2.556 -2.234 -13.165 1.00 0.00 O ATOM 1450 CB SER A 96 0.654 -0.534 -15.349 1.00 0.00 C ATOM 1451 OG SER A 96 -0.650 -0.001 -15.530 1.00 0.00 O ATOM 0 H SER A 96 -0.069 -0.578 -12.973 1.00 0.00 H new ATOM 0 HA SER A 96 0.066 -2.583 -15.072 1.00 0.00 H new ATOM 0 HB2 SER A 96 1.287 0.202 -14.853 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.105 -0.740 -16.319 1.00 0.00 H new ATOM 0 HG SER A 96 -0.597 0.820 -16.062 1.00 0.00 H new ATOM 1457 N THR A 97 2.622 -2.924 -15.313 1.00 0.00 N ATOM 1458 CA THR A 97 3.910 -3.608 -15.199 1.00 0.00 C ATOM 1459 C THR A 97 5.029 -2.636 -14.819 1.00 0.00 C ATOM 1460 O THR A 97 5.972 -2.999 -14.112 1.00 0.00 O ATOM 1461 CB THR A 97 4.251 -4.344 -16.518 1.00 0.00 C ATOM 1462 OG1 THR A 97 4.844 -5.618 -16.231 1.00 0.00 O ATOM 1463 CG2 THR A 97 5.194 -3.547 -17.414 1.00 0.00 C ATOM 0 H THR A 97 2.233 -2.925 -16.256 1.00 0.00 H new ATOM 0 HA THR A 97 3.827 -4.344 -14.400 1.00 0.00 H new ATOM 0 HB THR A 97 3.312 -4.471 -17.056 1.00 0.00 H new ATOM 0 HG1 THR A 97 5.055 -6.077 -17.071 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.397 -4.113 -18.323 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.731 -2.595 -17.675 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.129 -3.362 -16.885 1.00 0.00 H new ATOM 1471 N TYR A 98 4.904 -1.400 -15.291 1.00 0.00 N ATOM 1472 CA TYR A 98 5.837 -0.327 -14.953 1.00 0.00 C ATOM 1473 C TYR A 98 5.959 -0.198 -13.442 1.00 0.00 C ATOM 1474 O TYR A 98 7.056 -0.105 -12.883 1.00 0.00 O ATOM 1475 CB TYR A 98 5.319 0.991 -15.529 1.00 0.00 C ATOM 1476 CG TYR A 98 6.369 2.069 -15.683 1.00 0.00 C ATOM 1477 CD1 TYR A 98 7.357 1.962 -16.654 1.00 0.00 C ATOM 1478 CD2 TYR A 98 6.358 3.205 -14.881 1.00 0.00 C ATOM 1479 CE1 TYR A 98 8.305 2.949 -16.818 1.00 0.00 C ATOM 1480 CE2 TYR A 98 7.308 4.198 -15.038 1.00 0.00 C ATOM 1481 CZ TYR A 98 8.277 4.065 -16.010 1.00 0.00 C ATOM 1482 OH TYR A 98 9.216 5.057 -16.184 1.00 0.00 O ATOM 0 H TYR A 98 4.153 -1.112 -15.919 1.00 0.00 H new ATOM 0 HA TYR A 98 6.816 -0.559 -15.373 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.873 0.795 -16.504 1.00 0.00 H new ATOM 0 HB3 TYR A 98 4.524 1.366 -14.884 1.00 0.00 H new ATOM 0 HD1 TYR A 98 7.383 1.090 -17.291 1.00 0.00 H new ATOM 0 HD2 TYR A 98 5.596 3.314 -14.124 1.00 0.00 H new ATOM 0 HE1 TYR A 98 9.067 2.848 -17.577 1.00 0.00 H new ATOM 0 HE2 TYR A 98 7.291 5.072 -14.403 1.00 0.00 H new ATOM 0 HH TYR A 98 9.057 5.775 -15.536 1.00 0.00 H new ATOM 1492 N MET A 99 4.806 -0.236 -12.797 1.00 0.00 N ATOM 1493 CA MET A 99 4.702 -0.045 -11.362 1.00 0.00 C ATOM 1494 C MET A 99 5.179 -1.294 -10.631 1.00 0.00 C ATOM 1495 O MET A 99 5.776 -1.214 -9.558 1.00 0.00 O ATOM 1496 CB MET A 99 3.246 0.261 -11.013 1.00 0.00 C ATOM 1497 CG MET A 99 2.606 1.250 -11.980 1.00 0.00 C ATOM 1498 SD MET A 99 0.834 1.431 -11.734 1.00 0.00 S ATOM 1499 CE MET A 99 0.819 2.143 -10.100 1.00 0.00 C ATOM 0 H MET A 99 3.911 -0.401 -13.257 1.00 0.00 H new ATOM 0 HA MET A 99 5.332 0.788 -11.051 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.673 -0.666 -11.016 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.196 0.664 -10.001 1.00 0.00 H new ATOM 0 HG2 MET A 99 3.084 2.223 -11.865 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.793 0.922 -13.003 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.072 2.759 -9.980 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.813 1.346 -9.356 1.00 0.00 H new ATOM 0 HE3 MET A 99 1.707 2.760 -9.964 1.00 0.00 H new ATOM 1509 N GLN A 100 4.917 -2.444 -11.247 1.00 0.00 N ATOM 1510 CA GLN A 100 5.329 -3.734 -10.706 1.00 0.00 C ATOM 1511 C GLN A 100 6.852 -3.801 -10.630 1.00 0.00 C ATOM 1512 O GLN A 100 7.411 -4.107 -9.579 1.00 0.00 O ATOM 1513 CB GLN A 100 4.763 -4.856 -11.595 1.00 0.00 C ATOM 1514 CG GLN A 100 4.689 -6.233 -10.944 1.00 0.00 C ATOM 1515 CD GLN A 100 6.019 -6.962 -10.912 1.00 0.00 C ATOM 1516 OE1 GLN A 100 6.762 -6.882 -9.937 1.00 0.00 O ATOM 1517 NE2 GLN A 100 6.324 -7.684 -11.978 1.00 0.00 N ATOM 0 H GLN A 100 4.415 -2.507 -12.132 1.00 0.00 H new ATOM 0 HA GLN A 100 4.938 -3.860 -9.696 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.761 -4.571 -11.917 1.00 0.00 H new ATOM 0 HB3 GLN A 100 5.377 -4.930 -12.492 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.319 -6.124 -9.924 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.963 -6.842 -11.483 1.00 0.00 H new ATOM 0 HE21 GLN A 100 5.680 -7.725 -12.768 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.203 -8.200 -12.010 1.00 0.00 H new ATOM 1526 N GLU A 101 7.511 -3.476 -11.740 1.00 0.00 N ATOM 1527 CA GLU A 101 8.970 -3.477 -11.800 1.00 0.00 C ATOM 1528 C GLU A 101 9.567 -2.548 -10.748 1.00 0.00 C ATOM 1529 O GLU A 101 10.538 -2.902 -10.082 1.00 0.00 O ATOM 1530 CB GLU A 101 9.455 -3.044 -13.182 1.00 0.00 C ATOM 1531 CG GLU A 101 9.157 -4.038 -14.289 1.00 0.00 C ATOM 1532 CD GLU A 101 9.653 -3.555 -15.639 1.00 0.00 C ATOM 1533 OE1 GLU A 101 10.715 -2.895 -15.685 1.00 0.00 O ATOM 1534 OE2 GLU A 101 8.984 -3.816 -16.658 1.00 0.00 O ATOM 0 H GLU A 101 7.056 -3.208 -12.612 1.00 0.00 H new ATOM 0 HA GLU A 101 9.301 -4.496 -11.601 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.993 -2.089 -13.433 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.531 -2.876 -13.140 1.00 0.00 H new ATOM 0 HG2 GLU A 101 9.624 -4.994 -14.053 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.082 -4.212 -14.339 1.00 0.00 H new ATOM 1541 N GLN A 102 8.981 -1.360 -10.610 1.00 0.00 N ATOM 1542 CA GLN A 102 9.471 -0.358 -9.668 1.00 0.00 C ATOM 1543 C GLN A 102 9.533 -0.920 -8.253 1.00 0.00 C ATOM 1544 O GLN A 102 10.587 -0.908 -7.605 1.00 0.00 O ATOM 1545 CB GLN A 102 8.560 0.868 -9.683 1.00 0.00 C ATOM 1546 CG GLN A 102 9.100 2.043 -8.885 1.00 0.00 C ATOM 1547 CD GLN A 102 10.458 2.511 -9.378 1.00 0.00 C ATOM 1548 OE1 GLN A 102 11.520 1.956 -8.816 1.00 0.00 O flip ATOM 1549 NE2 GLN A 102 10.550 3.362 -10.257 1.00 0.00 N flip ATOM 0 H GLN A 102 8.162 -1.068 -11.142 1.00 0.00 H new ATOM 0 HA GLN A 102 10.477 -0.073 -9.977 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.406 1.182 -10.715 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.584 0.589 -9.286 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.393 2.871 -8.941 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.177 1.759 -7.835 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.707 3.766 -10.666 1.00 0.00 H new ATOM 0 HE22 GLN A 102 11.469 3.665 -10.579 1.00 0.00 H new ATOM 1558 N LEU A 103 8.392 -1.399 -7.783 1.00 0.00 N ATOM 1559 CA LEU A 103 8.291 -1.980 -6.450 1.00 0.00 C ATOM 1560 C LEU A 103 9.199 -3.195 -6.324 1.00 0.00 C ATOM 1561 O LEU A 103 9.917 -3.345 -5.335 1.00 0.00 O ATOM 1562 CB LEU A 103 6.844 -2.377 -6.149 1.00 0.00 C ATOM 1563 CG LEU A 103 5.846 -1.220 -6.115 1.00 0.00 C ATOM 1564 CD1 LEU A 103 4.431 -1.746 -5.936 1.00 0.00 C ATOM 1565 CD2 LEU A 103 6.196 -0.246 -4.998 1.00 0.00 C ATOM 0 H LEU A 103 7.517 -1.397 -8.307 1.00 0.00 H new ATOM 0 HA LEU A 103 8.610 -1.229 -5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.517 -3.096 -6.901 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.817 -2.888 -5.186 1.00 0.00 H new ATOM 0 HG LEU A 103 5.901 -0.689 -7.065 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.732 -0.910 -5.914 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.181 -2.406 -6.766 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.364 -2.300 -4.999 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.475 0.571 -4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.168 -0.766 -4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.196 0.154 -5.164 1.00 0.00 H new ATOM 1577 N LYS A 104 9.179 -4.043 -7.344 1.00 0.00 N ATOM 1578 CA LYS A 104 9.963 -5.269 -7.343 1.00 0.00 C ATOM 1579 C LYS A 104 11.461 -4.984 -7.209 1.00 0.00 C ATOM 1580 O LYS A 104 12.149 -5.666 -6.456 1.00 0.00 O ATOM 1581 CB LYS A 104 9.676 -6.080 -8.611 1.00 0.00 C ATOM 1582 CG LYS A 104 10.540 -7.317 -8.755 1.00 0.00 C ATOM 1583 CD LYS A 104 10.122 -8.164 -9.943 1.00 0.00 C ATOM 1584 CE LYS A 104 10.893 -9.472 -9.979 1.00 0.00 C ATOM 1585 NZ LYS A 104 10.745 -10.238 -8.713 1.00 0.00 N ATOM 0 H LYS A 104 8.624 -3.902 -8.188 1.00 0.00 H new ATOM 0 HA LYS A 104 9.666 -5.855 -6.473 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.628 -6.379 -8.611 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.825 -5.441 -9.481 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.583 -7.020 -8.870 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.476 -7.912 -7.844 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.053 -8.370 -9.889 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.294 -7.611 -10.866 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.541 -10.078 -10.813 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.948 -9.266 -10.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.696 -11.255 -8.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.562 -10.052 -8.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.873 -9.944 -8.229 1.00 0.00 H new ATOM 1599 N GLU A 105 11.955 -3.978 -7.933 1.00 0.00 N ATOM 1600 CA GLU A 105 13.362 -3.577 -7.843 1.00 0.00 C ATOM 1601 C GLU A 105 13.739 -3.207 -6.411 1.00 0.00 C ATOM 1602 O GLU A 105 14.753 -3.670 -5.883 1.00 0.00 O ATOM 1603 CB GLU A 105 13.648 -2.390 -8.768 1.00 0.00 C ATOM 1604 CG GLU A 105 14.115 -2.785 -10.161 1.00 0.00 C ATOM 1605 CD GLU A 105 15.534 -3.325 -10.168 1.00 0.00 C ATOM 1606 OE1 GLU A 105 16.489 -2.514 -10.252 1.00 0.00 O ATOM 1607 OE2 GLU A 105 15.708 -4.557 -10.104 1.00 0.00 O ATOM 0 H GLU A 105 11.402 -3.425 -8.588 1.00 0.00 H new ATOM 0 HA GLU A 105 13.965 -4.429 -8.156 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.744 -1.787 -8.857 1.00 0.00 H new ATOM 0 HB3 GLU A 105 14.408 -1.759 -8.307 1.00 0.00 H new ATOM 0 HG2 GLU A 105 13.441 -3.539 -10.566 1.00 0.00 H new ATOM 0 HG3 GLU A 105 14.056 -1.918 -10.820 1.00 0.00 H new ATOM 1614 N LEU A 106 12.909 -2.383 -5.785 1.00 0.00 N ATOM 1615 CA LEU A 106 13.182 -1.895 -4.434 1.00 0.00 C ATOM 1616 C LEU A 106 13.150 -3.026 -3.403 1.00 0.00 C ATOM 1617 O LEU A 106 13.824 -2.958 -2.378 1.00 0.00 O ATOM 1618 CB LEU A 106 12.183 -0.796 -4.048 1.00 0.00 C ATOM 1619 CG LEU A 106 12.574 0.632 -4.453 1.00 0.00 C ATOM 1620 CD1 LEU A 106 12.844 0.731 -5.944 1.00 0.00 C ATOM 1621 CD2 LEU A 106 11.483 1.611 -4.055 1.00 0.00 C ATOM 0 H LEU A 106 12.039 -2.036 -6.190 1.00 0.00 H new ATOM 0 HA LEU A 106 14.189 -1.477 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.220 -1.031 -4.500 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.042 -0.822 -2.967 1.00 0.00 H new ATOM 0 HG LEU A 106 13.493 0.887 -3.926 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.118 1.755 -6.197 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.661 0.060 -6.211 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.947 0.449 -6.496 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.774 2.619 -4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.553 1.342 -4.555 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.338 1.575 -2.975 1.00 0.00 H new ATOM 1633 N VAL A 107 12.374 -4.062 -3.679 1.00 0.00 N ATOM 1634 CA VAL A 107 12.278 -5.203 -2.770 1.00 0.00 C ATOM 1635 C VAL A 107 13.242 -6.316 -3.201 1.00 0.00 C ATOM 1636 O VAL A 107 13.422 -7.318 -2.504 1.00 0.00 O ATOM 1637 CB VAL A 107 10.826 -5.746 -2.713 1.00 0.00 C ATOM 1638 CG1 VAL A 107 10.676 -6.827 -1.652 1.00 0.00 C ATOM 1639 CG2 VAL A 107 9.839 -4.616 -2.452 1.00 0.00 C ATOM 0 H VAL A 107 11.802 -4.141 -4.520 1.00 0.00 H new ATOM 0 HA VAL A 107 12.557 -4.863 -1.773 1.00 0.00 H new ATOM 0 HB VAL A 107 10.605 -6.191 -3.683 1.00 0.00 H new ATOM 0 HG11 VAL A 107 9.646 -7.185 -1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 107 11.345 -7.656 -1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 107 10.929 -6.415 -0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 107 8.827 -5.018 -2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.075 -4.140 -1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 107 9.908 -3.880 -3.253 1.00 0.00 H new ATOM 1649 N LEU A 108 13.881 -6.124 -4.349 1.00 0.00 N ATOM 1650 CA LEU A 108 14.777 -7.131 -4.900 1.00 0.00 C ATOM 1651 C LEU A 108 16.119 -7.131 -4.181 1.00 0.00 C ATOM 1652 O LEU A 108 16.668 -8.193 -3.884 1.00 0.00 O ATOM 1653 CB LEU A 108 14.988 -6.901 -6.399 1.00 0.00 C ATOM 1654 CG LEU A 108 15.873 -7.932 -7.103 1.00 0.00 C ATOM 1655 CD1 LEU A 108 15.250 -9.318 -7.040 1.00 0.00 C ATOM 1656 CD2 LEU A 108 16.114 -7.524 -8.545 1.00 0.00 C ATOM 0 H LEU A 108 13.795 -5.280 -4.916 1.00 0.00 H new ATOM 0 HA LEU A 108 14.310 -8.105 -4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.014 -6.889 -6.888 1.00 0.00 H new ATOM 0 HB3 LEU A 108 15.428 -5.914 -6.540 1.00 0.00 H new ATOM 0 HG LEU A 108 16.831 -7.968 -6.585 1.00 0.00 H new ATOM 0 HD11 LEU A 108 15.899 -10.032 -7.548 1.00 0.00 H new ATOM 0 HD12 LEU A 108 15.128 -9.615 -5.998 1.00 0.00 H new ATOM 0 HD13 LEU A 108 14.276 -9.302 -7.529 1.00 0.00 H new ATOM 0 HD21 LEU A 108 16.745 -8.267 -9.033 1.00 0.00 H new ATOM 0 HD22 LEU A 108 15.160 -7.458 -9.069 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.610 -6.554 -8.571 1.00 0.00 H new ATOM 1668 N GLU A 109 16.648 -5.945 -3.898 1.00 0.00 N ATOM 1669 CA GLU A 109 17.951 -5.855 -3.258 1.00 0.00 C ATOM 1670 C GLU A 109 17.847 -6.223 -1.778 1.00 0.00 C ATOM 1671 O GLU A 109 18.670 -6.990 -1.275 1.00 0.00 O ATOM 1672 CB GLU A 109 18.583 -4.462 -3.477 1.00 0.00 C ATOM 1673 CG GLU A 109 17.868 -3.295 -2.804 1.00 0.00 C ATOM 1674 CD GLU A 109 18.405 -2.999 -1.415 1.00 0.00 C ATOM 1675 OE1 GLU A 109 19.621 -2.740 -1.285 1.00 0.00 O ATOM 1676 OE2 GLU A 109 17.621 -3.033 -0.450 1.00 0.00 O ATOM 0 H GLU A 109 16.203 -5.049 -4.098 1.00 0.00 H new ATOM 0 HA GLU A 109 18.621 -6.578 -3.724 1.00 0.00 H new ATOM 0 HB2 GLU A 109 19.611 -4.490 -3.117 1.00 0.00 H new ATOM 0 HB3 GLU A 109 18.626 -4.268 -4.549 1.00 0.00 H new ATOM 0 HG2 GLU A 109 17.970 -2.405 -3.425 1.00 0.00 H new ATOM 0 HG3 GLU A 109 16.803 -3.517 -2.737 1.00 0.00 H new ATOM 1683 N HIS A 110 16.801 -5.707 -1.113 1.00 0.00 N ATOM 1684 CA HIS A 110 16.499 -5.989 0.306 1.00 0.00 C ATOM 1685 C HIS A 110 17.756 -5.993 1.186 1.00 0.00 C ATOM 1686 O HIS A 110 17.831 -6.741 2.164 1.00 0.00 O ATOM 1687 CB HIS A 110 15.722 -7.317 0.461 1.00 0.00 C ATOM 1688 CG HIS A 110 16.463 -8.557 0.038 1.00 0.00 C ATOM 1689 ND1 HIS A 110 17.524 -9.082 0.746 1.00 0.00 N ATOM 1690 CD2 HIS A 110 16.277 -9.385 -1.018 1.00 0.00 C ATOM 1691 CE1 HIS A 110 17.956 -10.175 0.146 1.00 0.00 C ATOM 1692 NE2 HIS A 110 17.217 -10.384 -0.926 1.00 0.00 N ATOM 0 H HIS A 110 16.130 -5.074 -1.548 1.00 0.00 H new ATOM 0 HA HIS A 110 15.865 -5.173 0.654 1.00 0.00 H new ATOM 0 HB2 HIS A 110 15.432 -7.428 1.506 1.00 0.00 H new ATOM 0 HB3 HIS A 110 14.802 -7.249 -0.120 1.00 0.00 H new ATOM 0 HD1 HIS A 110 17.914 -8.686 1.601 1.00 0.00 H new ATOM 0 HD2 HIS A 110 15.529 -9.280 -1.790 1.00 0.00 H new ATOM 0 HE1 HIS A 110 18.777 -10.794 0.477 1.00 0.00 H new TER 1701 HIS A 110