USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 681 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 74 CYS SG : rot 80:sc= 0.069 USER MOD Set 1.2: A 77 MET CE :methyl 141:sc= -1.45 (180deg=-3.28!) USER MOD Set 2.1: A 64 MET CE :methyl -152:sc= -1.69 (180deg=-3.55!) USER MOD Set 2.2: A 65 GLN :FLIP amide:sc= -2 F(o=-5!,f=-3.7) USER MOD Set 3.1: A 38 HIS : no HE2:sc= 0.249 K(o=-0.053,f=-3.7!) USER MOD Set 3.2: A 39 ASN : amide:sc= -0.302 X(o=-0.053,f=-0.53) USER MOD Set 4.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 27 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.177 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.026 X(o=-0.026,f=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0.157 USER MOD Single : A 4 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0514) USER MOD Single : A 5 MET CE :methyl 149:sc= 0 (180deg=-1.59) USER MOD Single : A 6 SER OG : rot -160:sc= -0.142 USER MOD Single : A 9 LYS NZ :NH3+ -179:sc= 1.17 (180deg=1.1) USER MOD Single : A 10 CYS SG : rot -31:sc= -0.939 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0289 X(o=-0.029,f=-0.048) USER MOD Single : A 21 GLN : amide:sc= 0.636 K(o=0.64,f=-0.61) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot -170:sc= -0.0116 USER MOD Single : A 36 GLN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 170:sc= 0.0223 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 172:sc= 1 (180deg=0.893) USER MOD Single : A 54 MET CE :methyl -161:sc= -4.09 (180deg=-6.18!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -36:sc= 0.216 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.0323 F(o=-2.8!,f=-0.032) USER MOD Single : A 80 ASN : amide:sc= 0.936 K(o=0.94,f=-0.0056) USER MOD Single : A 83 THR OG1 : rot -32:sc= 0.225 USER MOD Single : A 85 GLN :FLIP amide:sc= -0.0392 F(o=-0.75,f=-0.039) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.190 -14.170 -2.114 1.00 0.00 N ATOM 2 CA GLY A 1 -6.975 -14.117 -1.299 1.00 0.00 C ATOM 3 C GLY A 1 -5.759 -14.070 -2.202 1.00 0.00 C ATOM 4 O GLY A 1 -5.899 -13.821 -3.403 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.905 -13.529 -1.714 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.968 -13.878 -3.087 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.561 -15.141 -2.121 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.996 -13.239 -0.654 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.923 -14.990 -0.648 1.00 0.00 H new ATOM 8 N HIS A 2 -4.566 -14.297 -1.649 1.00 0.00 N ATOM 9 CA HIS A 2 -3.333 -14.477 -2.406 1.00 0.00 C ATOM 10 C HIS A 2 -2.354 -15.208 -1.481 1.00 0.00 C ATOM 11 O HIS A 2 -1.857 -14.622 -0.519 1.00 0.00 O ATOM 12 CB HIS A 2 -2.811 -13.107 -2.879 1.00 0.00 C ATOM 13 CG HIS A 2 -1.619 -13.113 -3.804 1.00 0.00 C ATOM 14 ND1 HIS A 2 -0.742 -12.065 -3.980 1.00 0.00 N ATOM 15 CD2 HIS A 2 -1.282 -14.085 -4.708 1.00 0.00 C ATOM 16 CE1 HIS A 2 0.102 -12.398 -4.970 1.00 0.00 C ATOM 17 NE2 HIS A 2 -0.195 -13.617 -5.456 1.00 0.00 N ATOM 0 H HIS A 2 -4.431 -14.362 -0.640 1.00 0.00 H new ATOM 0 HA HIS A 2 -3.479 -15.070 -3.309 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -3.627 -12.588 -3.381 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -2.554 -12.519 -1.998 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -1.768 -15.042 -4.823 1.00 0.00 H new ATOM 0 HE1 HIS A 2 0.908 -11.774 -5.327 1.00 0.00 H new ATOM 0 HE2 HIS A 2 0.278 -14.103 -6.218 1.00 0.00 H new ATOM 25 N SER A 3 -2.105 -16.493 -1.739 1.00 0.00 N ATOM 26 CA SER A 3 -1.386 -17.408 -0.852 1.00 0.00 C ATOM 27 C SER A 3 -2.093 -17.542 0.506 1.00 0.00 C ATOM 28 O SER A 3 -3.286 -17.238 0.649 1.00 0.00 O ATOM 29 CB SER A 3 0.083 -16.971 -0.733 1.00 0.00 C ATOM 30 OG SER A 3 0.912 -18.039 -0.317 1.00 0.00 O ATOM 0 H SER A 3 -2.410 -16.941 -2.603 1.00 0.00 H new ATOM 0 HA SER A 3 -1.391 -18.409 -1.284 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.430 -16.594 -1.695 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.162 -16.149 -0.021 1.00 0.00 H new ATOM 0 HG SER A 3 1.839 -17.728 -0.253 1.00 0.00 H new ATOM 36 N LYS A 4 -1.360 -18.046 1.503 1.00 0.00 N ATOM 37 CA LYS A 4 -1.741 -18.086 2.911 1.00 0.00 C ATOM 38 C LYS A 4 -2.259 -16.718 3.358 1.00 0.00 C ATOM 39 O LYS A 4 -3.369 -16.607 3.883 1.00 0.00 O ATOM 40 CB LYS A 4 -0.570 -18.605 3.777 1.00 0.00 C ATOM 41 CG LYS A 4 0.815 -17.963 3.503 1.00 0.00 C ATOM 42 CD LYS A 4 1.598 -17.580 4.774 1.00 0.00 C ATOM 43 CE LYS A 4 2.817 -18.450 5.114 1.00 0.00 C ATOM 44 NZ LYS A 4 2.568 -19.904 5.050 1.00 0.00 N ATOM 0 H LYS A 4 -0.441 -18.456 1.338 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.560 -18.792 3.047 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.821 -18.445 4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.485 -19.682 3.630 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.415 -18.658 2.916 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.675 -17.070 2.894 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.933 -16.548 4.671 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.911 -17.609 5.620 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.627 -18.202 4.428 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.160 -18.197 6.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.380 -20.413 5.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.711 -20.134 5.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.437 -20.190 4.059 1.00 0.00 H new ATOM 58 N MET A 5 -1.461 -15.685 3.119 1.00 0.00 N ATOM 59 CA MET A 5 -1.693 -14.287 3.425 1.00 0.00 C ATOM 60 C MET A 5 -0.799 -13.473 2.500 1.00 0.00 C ATOM 61 O MET A 5 0.183 -13.996 1.968 1.00 0.00 O ATOM 62 CB MET A 5 -1.310 -13.980 4.886 1.00 0.00 C ATOM 63 CG MET A 5 0.085 -14.490 5.288 1.00 0.00 C ATOM 64 SD MET A 5 0.920 -13.497 6.556 1.00 0.00 S ATOM 65 CE MET A 5 2.219 -12.668 5.604 1.00 0.00 C ATOM 0 H MET A 5 -0.557 -15.821 2.666 1.00 0.00 H new ATOM 0 HA MET A 5 -2.747 -14.043 3.288 1.00 0.00 H new ATOM 0 HB2 MET A 5 -1.350 -12.902 5.043 1.00 0.00 H new ATOM 0 HB3 MET A 5 -2.053 -14.426 5.547 1.00 0.00 H new ATOM 0 HG2 MET A 5 -0.008 -15.514 5.651 1.00 0.00 H new ATOM 0 HG3 MET A 5 0.715 -14.523 4.399 1.00 0.00 H new ATOM 0 HE1 MET A 5 2.428 -11.693 6.045 1.00 0.00 H new ATOM 0 HE2 MET A 5 3.124 -13.275 5.619 1.00 0.00 H new ATOM 0 HE3 MET A 5 1.887 -12.536 4.574 1.00 0.00 H new ATOM 75 N SER A 6 -1.061 -12.175 2.428 1.00 0.00 N ATOM 76 CA SER A 6 -0.139 -11.186 1.894 1.00 0.00 C ATOM 77 C SER A 6 0.055 -10.091 2.937 1.00 0.00 C ATOM 78 O SER A 6 0.049 -8.919 2.592 1.00 0.00 O ATOM 79 CB SER A 6 -0.704 -10.573 0.618 1.00 0.00 C ATOM 80 OG SER A 6 -1.019 -11.515 -0.378 1.00 0.00 O ATOM 0 H SER A 6 -1.942 -11.773 2.747 1.00 0.00 H new ATOM 0 HA SER A 6 0.813 -11.663 1.662 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.602 -10.007 0.866 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.019 -9.863 0.217 1.00 0.00 H new ATOM 0 HG SER A 6 -1.067 -11.067 -1.248 1.00 0.00 H new ATOM 86 N ASP A 7 0.167 -10.462 4.213 1.00 0.00 N ATOM 87 CA ASP A 7 0.551 -9.524 5.274 1.00 0.00 C ATOM 88 C ASP A 7 -0.540 -8.459 5.407 1.00 0.00 C ATOM 89 O ASP A 7 -0.319 -7.251 5.289 1.00 0.00 O ATOM 90 CB ASP A 7 1.942 -8.972 4.935 1.00 0.00 C ATOM 91 CG ASP A 7 2.695 -8.269 6.054 1.00 0.00 C ATOM 92 OD1 ASP A 7 2.120 -7.443 6.779 1.00 0.00 O ATOM 93 OD2 ASP A 7 3.915 -8.532 6.186 1.00 0.00 O ATOM 0 H ASP A 7 -0.004 -11.413 4.541 1.00 0.00 H new ATOM 0 HA ASP A 7 0.629 -9.999 6.252 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.557 -9.798 4.579 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.837 -8.273 4.106 1.00 0.00 H new ATOM 98 N VAL A 8 -1.774 -8.932 5.606 1.00 0.00 N ATOM 99 CA VAL A 8 -2.962 -8.097 5.681 1.00 0.00 C ATOM 100 C VAL A 8 -3.464 -8.158 7.123 1.00 0.00 C ATOM 101 O VAL A 8 -4.417 -8.868 7.450 1.00 0.00 O ATOM 102 CB VAL A 8 -3.985 -8.513 4.595 1.00 0.00 C ATOM 103 CG1 VAL A 8 -5.173 -7.545 4.534 1.00 0.00 C ATOM 104 CG2 VAL A 8 -3.359 -8.562 3.190 1.00 0.00 C ATOM 0 H VAL A 8 -1.972 -9.926 5.721 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.758 -7.050 5.455 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.321 -9.509 4.884 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.868 -7.871 3.760 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.682 -7.533 5.498 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.814 -6.543 4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.116 -8.859 2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.973 -7.577 2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.544 -9.286 3.180 1.00 0.00 H new ATOM 114 N LYS A 9 -2.777 -7.439 8.019 1.00 0.00 N ATOM 115 CA LYS A 9 -3.193 -7.328 9.418 1.00 0.00 C ATOM 116 C LYS A 9 -3.916 -6.040 9.748 1.00 0.00 C ATOM 117 O LYS A 9 -4.434 -5.931 10.860 1.00 0.00 O ATOM 118 CB LYS A 9 -2.052 -7.543 10.416 1.00 0.00 C ATOM 119 CG LYS A 9 -0.986 -8.513 9.921 1.00 0.00 C ATOM 120 CD LYS A 9 0.157 -7.800 9.206 1.00 0.00 C ATOM 121 CE LYS A 9 1.474 -8.497 9.524 1.00 0.00 C ATOM 122 NZ LYS A 9 2.614 -7.578 9.377 1.00 0.00 N ATOM 0 H LYS A 9 -1.926 -6.923 7.796 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.904 -8.146 9.529 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.585 -6.583 10.634 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.465 -7.917 11.353 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.589 -9.075 10.766 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.441 -9.235 9.243 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.016 -7.802 8.130 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.201 -6.757 9.520 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.446 -8.885 10.542 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.605 -9.352 8.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.498 -8.086 9.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.643 -7.214 8.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.508 -6.784 10.040 1.00 0.00 H new ATOM 136 N CYS A 10 -3.998 -5.116 8.794 1.00 0.00 N ATOM 137 CA CYS A 10 -4.520 -3.763 8.975 1.00 0.00 C ATOM 138 C CYS A 10 -3.809 -3.098 10.165 1.00 0.00 C ATOM 139 O CYS A 10 -4.360 -2.975 11.265 1.00 0.00 O ATOM 140 CB CYS A 10 -6.067 -3.819 8.952 1.00 0.00 C ATOM 141 SG CYS A 10 -6.972 -2.505 9.825 1.00 0.00 S ATOM 0 H CYS A 10 -3.691 -5.295 7.838 1.00 0.00 H new ATOM 0 HA CYS A 10 -4.289 -3.081 8.157 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -6.388 -3.812 7.910 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -6.375 -4.776 9.374 1.00 0.00 H new ATOM 0 HG CYS A 10 -6.274 -2.101 10.845 1.00 0.00 H new ATOM 147 N THR A 11 -2.561 -2.694 9.951 1.00 0.00 N ATOM 148 CA THR A 11 -1.677 -2.217 11.009 1.00 0.00 C ATOM 149 C THR A 11 -1.696 -0.689 11.060 1.00 0.00 C ATOM 150 O THR A 11 -2.554 -0.115 11.728 1.00 0.00 O ATOM 151 CB THR A 11 -0.313 -2.957 10.973 1.00 0.00 C ATOM 152 OG1 THR A 11 0.696 -2.227 11.625 1.00 0.00 O ATOM 153 CG2 THR A 11 0.147 -3.319 9.556 1.00 0.00 C ATOM 0 H THR A 11 -2.130 -2.689 9.027 1.00 0.00 H new ATOM 0 HA THR A 11 -2.038 -2.488 12.001 1.00 0.00 H new ATOM 0 HB THR A 11 -0.484 -3.890 11.510 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.539 -2.725 11.583 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.107 -3.834 9.605 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.591 -3.971 9.089 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.253 -2.410 8.964 1.00 0.00 H new ATOM 161 N SER A 12 -0.852 -0.026 10.282 1.00 0.00 N ATOM 162 CA SER A 12 -0.738 1.410 10.264 1.00 0.00 C ATOM 163 C SER A 12 -2.001 2.013 9.687 1.00 0.00 C ATOM 164 O SER A 12 -2.436 1.632 8.604 1.00 0.00 O ATOM 165 CB SER A 12 0.484 1.705 9.415 1.00 0.00 C ATOM 166 OG SER A 12 1.612 1.217 10.109 1.00 0.00 O ATOM 0 H SER A 12 -0.216 -0.491 9.634 1.00 0.00 H new ATOM 0 HA SER A 12 -0.623 1.842 11.258 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.398 1.226 8.440 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.577 2.776 9.237 1.00 0.00 H new ATOM 0 HG SER A 12 2.420 1.392 9.583 1.00 0.00 H new ATOM 172 N VAL A 13 -2.615 2.960 10.384 1.00 0.00 N ATOM 173 CA VAL A 13 -3.839 3.577 9.878 1.00 0.00 C ATOM 174 C VAL A 13 -3.583 4.486 8.670 1.00 0.00 C ATOM 175 O VAL A 13 -4.521 4.761 7.923 1.00 0.00 O ATOM 176 CB VAL A 13 -4.590 4.310 10.991 1.00 0.00 C ATOM 177 CG1 VAL A 13 -5.082 3.322 12.052 1.00 0.00 C ATOM 178 CG2 VAL A 13 -3.796 5.446 11.643 1.00 0.00 C ATOM 0 H VAL A 13 -2.295 3.314 11.285 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.478 2.769 9.522 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.443 4.785 10.506 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.614 3.863 12.835 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.754 2.598 11.591 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.229 2.800 12.487 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.400 5.913 12.421 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.883 5.045 12.084 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.538 6.189 10.889 1.00 0.00 H new ATOM 188 N VAL A 14 -2.320 4.861 8.429 1.00 0.00 N ATOM 189 CA VAL A 14 -1.852 5.720 7.341 1.00 0.00 C ATOM 190 C VAL A 14 -2.340 5.230 5.971 1.00 0.00 C ATOM 191 O VAL A 14 -2.414 5.992 5.015 1.00 0.00 O ATOM 192 CB VAL A 14 -0.304 5.788 7.369 1.00 0.00 C ATOM 193 CG1 VAL A 14 0.208 6.958 6.519 1.00 0.00 C ATOM 194 CG2 VAL A 14 0.306 5.887 8.779 1.00 0.00 C ATOM 0 H VAL A 14 -1.553 4.552 9.027 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.269 6.716 7.492 1.00 0.00 H new ATOM 0 HB VAL A 14 0.023 4.836 6.951 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.297 6.984 6.555 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.118 6.828 5.487 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.191 7.894 6.910 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.393 5.930 8.703 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.059 6.788 9.271 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.017 5.013 9.363 1.00 0.00 H new ATOM 204 N LEU A 15 -2.658 3.940 5.858 1.00 0.00 N ATOM 205 CA LEU A 15 -3.189 3.318 4.657 1.00 0.00 C ATOM 206 C LEU A 15 -4.693 3.153 4.794 1.00 0.00 C ATOM 207 O LEU A 15 -5.432 3.498 3.871 1.00 0.00 O ATOM 208 CB LEU A 15 -2.467 1.994 4.306 1.00 0.00 C ATOM 209 CG LEU A 15 -1.765 1.250 5.460 1.00 0.00 C ATOM 210 CD1 LEU A 15 -1.603 -0.253 5.264 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.361 1.809 5.740 1.00 0.00 C ATOM 0 H LEU A 15 -2.547 3.282 6.629 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.995 3.976 3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.197 1.318 3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.723 2.207 3.539 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.444 1.418 6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.099 -0.681 6.130 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.585 -0.713 5.152 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.010 -0.441 4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.095 1.254 6.560 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.256 1.708 4.847 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.436 2.862 6.012 1.00 0.00 H new ATOM 223 N LEU A 16 -5.169 2.614 5.918 1.00 0.00 N ATOM 224 CA LEU A 16 -6.576 2.231 6.048 1.00 0.00 C ATOM 225 C LEU A 16 -7.528 3.417 6.109 1.00 0.00 C ATOM 226 O LEU A 16 -8.658 3.326 5.621 1.00 0.00 O ATOM 227 CB LEU A 16 -6.771 1.344 7.286 1.00 0.00 C ATOM 228 CG LEU A 16 -6.292 -0.105 7.122 1.00 0.00 C ATOM 229 CD1 LEU A 16 -6.799 -0.712 5.816 1.00 0.00 C ATOM 230 CD2 LEU A 16 -4.779 -0.291 7.258 1.00 0.00 C ATOM 0 H LEU A 16 -4.604 2.433 6.748 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.825 1.678 5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.241 1.794 8.125 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.830 1.335 7.546 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.730 -0.645 7.961 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.443 -1.738 5.729 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.889 -0.704 5.810 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.428 -0.127 4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.529 -1.344 7.128 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.270 0.300 6.496 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.459 0.039 8.246 1.00 0.00 H new ATOM 242 N SER A 17 -7.092 4.523 6.694 1.00 0.00 N ATOM 243 CA SER A 17 -7.861 5.757 6.805 1.00 0.00 C ATOM 244 C SER A 17 -8.156 6.341 5.418 1.00 0.00 C ATOM 245 O SER A 17 -9.222 6.920 5.186 1.00 0.00 O ATOM 246 CB SER A 17 -7.040 6.720 7.670 1.00 0.00 C ATOM 247 OG SER A 17 -7.737 7.894 8.044 1.00 0.00 O ATOM 0 H SER A 17 -6.166 4.590 7.117 1.00 0.00 H new ATOM 0 HA SER A 17 -8.831 5.576 7.269 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.718 6.198 8.571 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.139 7.002 7.126 1.00 0.00 H new ATOM 0 HG SER A 17 -7.155 8.459 8.594 1.00 0.00 H new ATOM 253 N VAL A 18 -7.246 6.130 4.469 1.00 0.00 N ATOM 254 CA VAL A 18 -7.366 6.547 3.083 1.00 0.00 C ATOM 255 C VAL A 18 -8.451 5.741 2.376 1.00 0.00 C ATOM 256 O VAL A 18 -9.187 6.296 1.567 1.00 0.00 O ATOM 257 CB VAL A 18 -6.002 6.354 2.392 1.00 0.00 C ATOM 258 CG1 VAL A 18 -5.965 7.000 1.014 1.00 0.00 C ATOM 259 CG2 VAL A 18 -4.825 6.882 3.220 1.00 0.00 C ATOM 0 H VAL A 18 -6.370 5.643 4.658 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.652 7.598 3.036 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.890 5.274 2.291 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.986 6.840 0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.733 6.554 0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.150 8.070 1.109 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.895 6.715 2.677 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.955 7.949 3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.787 6.357 4.174 1.00 0.00 H new ATOM 269 N LEU A 19 -8.570 4.444 2.658 1.00 0.00 N ATOM 270 CA LEU A 19 -9.535 3.601 1.962 1.00 0.00 C ATOM 271 C LEU A 19 -10.946 3.941 2.428 1.00 0.00 C ATOM 272 O LEU A 19 -11.835 4.174 1.605 1.00 0.00 O ATOM 273 CB LEU A 19 -9.191 2.123 2.182 1.00 0.00 C ATOM 274 CG LEU A 19 -8.043 1.523 1.341 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.338 2.477 0.369 1.00 0.00 C ATOM 276 CD2 LEU A 19 -7.036 0.835 2.252 1.00 0.00 C ATOM 0 H LEU A 19 -8.012 3.958 3.360 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.489 3.789 0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.942 1.989 3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.090 1.537 1.990 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.530 0.802 0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.553 1.940 -0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.061 2.866 -0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.898 3.305 0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.230 0.415 1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.625 1.561 2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.531 0.036 2.804 1.00 0.00 H new ATOM 288 N GLN A 20 -11.135 3.997 3.746 1.00 0.00 N ATOM 289 CA GLN A 20 -12.407 4.345 4.368 1.00 0.00 C ATOM 290 C GLN A 20 -12.780 5.816 4.144 1.00 0.00 C ATOM 291 O GLN A 20 -13.919 6.205 4.408 1.00 0.00 O ATOM 292 CB GLN A 20 -12.349 3.977 5.859 1.00 0.00 C ATOM 293 CG GLN A 20 -11.444 4.883 6.683 1.00 0.00 C ATOM 294 CD GLN A 20 -11.195 4.307 8.069 1.00 0.00 C ATOM 295 OE1 GLN A 20 -11.913 4.604 9.020 1.00 0.00 O ATOM 296 NE2 GLN A 20 -10.176 3.476 8.203 1.00 0.00 N ATOM 0 H GLN A 20 -10.396 3.798 4.420 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.203 3.771 3.894 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.357 4.014 6.272 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -12.002 2.948 5.956 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.493 5.017 6.167 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.899 5.869 6.774 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.596 3.246 7.396 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.970 3.064 9.113 1.00 0.00 H new ATOM 305 N GLN A 21 -11.860 6.654 3.647 1.00 0.00 N ATOM 306 CA GLN A 21 -12.202 8.003 3.201 1.00 0.00 C ATOM 307 C GLN A 21 -13.200 7.992 2.043 1.00 0.00 C ATOM 308 O GLN A 21 -13.795 9.035 1.778 1.00 0.00 O ATOM 309 CB GLN A 21 -10.951 8.840 2.838 1.00 0.00 C ATOM 310 CG GLN A 21 -10.790 9.951 3.867 1.00 0.00 C ATOM 311 CD GLN A 21 -9.724 10.992 3.580 1.00 0.00 C ATOM 312 OE1 GLN A 21 -10.012 12.188 3.585 1.00 0.00 O ATOM 313 NE2 GLN A 21 -8.480 10.579 3.409 1.00 0.00 N ATOM 0 H GLN A 21 -10.873 6.417 3.545 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.684 8.486 4.051 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.064 8.207 2.824 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.056 9.263 1.839 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.747 10.462 3.969 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.569 9.493 4.831 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.269 9.581 3.409 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.731 11.258 3.277 1.00 0.00 H new ATOM 322 N LEU A 22 -13.395 6.852 1.364 1.00 0.00 N ATOM 323 CA LEU A 22 -14.266 6.776 0.197 1.00 0.00 C ATOM 324 C LEU A 22 -15.416 5.795 0.395 1.00 0.00 C ATOM 325 O LEU A 22 -16.533 6.242 0.654 1.00 0.00 O ATOM 326 CB LEU A 22 -13.496 6.484 -1.103 1.00 0.00 C ATOM 327 CG LEU A 22 -12.362 7.450 -1.470 1.00 0.00 C ATOM 328 CD1 LEU A 22 -12.791 8.906 -1.536 1.00 0.00 C ATOM 329 CD2 LEU A 22 -11.109 7.198 -0.628 1.00 0.00 C ATOM 0 H LEU A 22 -12.954 5.966 1.611 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.702 7.769 0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.077 5.480 -1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.211 6.472 -1.926 1.00 0.00 H new ATOM 0 HG LEU A 22 -12.082 7.224 -2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.935 9.526 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -13.570 9.022 -2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -13.177 9.216 -0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.329 7.902 -0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.346 7.333 0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.758 6.179 -0.793 1.00 0.00 H new ATOM 341 N ARG A 23 -15.179 4.497 0.144 1.00 0.00 N ATOM 342 CA ARG A 23 -16.195 3.449 -0.018 1.00 0.00 C ATOM 343 C ARG A 23 -15.576 2.081 -0.289 1.00 0.00 C ATOM 344 O ARG A 23 -16.049 1.303 -1.121 1.00 0.00 O ATOM 345 CB ARG A 23 -17.246 3.837 -1.070 1.00 0.00 C ATOM 346 CG ARG A 23 -16.796 4.464 -2.383 1.00 0.00 C ATOM 347 CD ARG A 23 -15.999 3.499 -3.226 1.00 0.00 C ATOM 348 NE ARG A 23 -15.743 3.985 -4.598 1.00 0.00 N ATOM 349 CZ ARG A 23 -16.660 4.190 -5.557 1.00 0.00 C ATOM 350 NH1 ARG A 23 -17.957 4.009 -5.315 1.00 0.00 N ATOM 351 NH2 ARG A 23 -16.264 4.571 -6.765 1.00 0.00 N ATOM 0 H ARG A 23 -14.230 4.135 0.044 1.00 0.00 H new ATOM 0 HA ARG A 23 -16.719 3.361 0.934 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -17.811 2.938 -1.314 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -17.941 4.532 -0.597 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -17.669 4.799 -2.943 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -16.193 5.348 -2.175 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.046 3.302 -2.735 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.532 2.550 -3.279 1.00 0.00 H new ATOM 0 HE ARG A 23 -14.773 4.185 -4.841 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.266 3.710 -4.390 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.641 4.169 -6.055 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -15.271 4.705 -6.958 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.952 4.730 -7.501 1.00 0.00 H new ATOM 365 N VAL A 24 -14.445 1.824 0.348 1.00 0.00 N ATOM 366 CA VAL A 24 -13.793 0.525 0.258 1.00 0.00 C ATOM 367 C VAL A 24 -14.739 -0.577 0.764 1.00 0.00 C ATOM 368 O VAL A 24 -15.626 -0.344 1.587 1.00 0.00 O ATOM 369 CB VAL A 24 -12.451 0.566 1.008 1.00 0.00 C ATOM 370 CG1 VAL A 24 -12.606 0.769 2.515 1.00 0.00 C ATOM 371 CG2 VAL A 24 -11.579 -0.671 0.728 1.00 0.00 C ATOM 0 H VAL A 24 -13.957 2.500 0.936 1.00 0.00 H new ATOM 0 HA VAL A 24 -13.568 0.286 -0.781 1.00 0.00 H new ATOM 0 HB VAL A 24 -11.939 1.442 0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -11.622 0.788 2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -13.116 1.713 2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -13.191 -0.050 2.934 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.644 -0.590 1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -12.110 -1.569 1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.364 -0.731 -0.339 1.00 0.00 H new ATOM 381 N GLU A 25 -14.487 -1.795 0.307 1.00 0.00 N ATOM 382 CA GLU A 25 -15.108 -3.041 0.705 1.00 0.00 C ATOM 383 C GLU A 25 -13.983 -3.923 1.232 1.00 0.00 C ATOM 384 O GLU A 25 -13.087 -4.269 0.451 1.00 0.00 O ATOM 385 CB GLU A 25 -15.750 -3.704 -0.524 1.00 0.00 C ATOM 386 CG GLU A 25 -16.668 -2.755 -1.307 1.00 0.00 C ATOM 387 CD GLU A 25 -17.167 -3.411 -2.598 1.00 0.00 C ATOM 388 OE1 GLU A 25 -16.341 -4.053 -3.287 1.00 0.00 O ATOM 389 OE2 GLU A 25 -18.333 -3.231 -3.011 1.00 0.00 O ATOM 0 H GLU A 25 -13.781 -1.945 -0.414 1.00 0.00 H new ATOM 0 HA GLU A 25 -15.882 -2.886 1.457 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -14.964 -4.068 -1.186 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.324 -4.573 -0.203 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -17.519 -2.473 -0.687 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -16.129 -1.838 -1.546 1.00 0.00 H new ATOM 396 N SER A 26 -14.018 -4.298 2.514 1.00 0.00 N ATOM 397 CA SER A 26 -13.093 -5.292 3.057 1.00 0.00 C ATOM 398 C SER A 26 -13.224 -6.607 2.279 1.00 0.00 C ATOM 399 O SER A 26 -12.235 -7.258 1.938 1.00 0.00 O ATOM 400 CB SER A 26 -13.378 -5.496 4.552 1.00 0.00 C ATOM 401 OG SER A 26 -14.750 -5.785 4.791 1.00 0.00 O ATOM 0 H SER A 26 -14.680 -3.926 3.195 1.00 0.00 H new ATOM 0 HA SER A 26 -12.067 -4.939 2.949 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.763 -6.312 4.932 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.094 -4.599 5.102 1.00 0.00 H new ATOM 0 HG SER A 26 -14.895 -5.911 5.752 1.00 0.00 H new ATOM 407 N SER A 27 -14.462 -6.974 1.941 1.00 0.00 N ATOM 408 CA SER A 27 -14.845 -8.182 1.226 1.00 0.00 C ATOM 409 C SER A 27 -14.524 -8.116 -0.277 1.00 0.00 C ATOM 410 O SER A 27 -15.162 -8.817 -1.067 1.00 0.00 O ATOM 411 CB SER A 27 -16.337 -8.430 1.462 1.00 0.00 C ATOM 412 OG SER A 27 -16.676 -8.319 2.834 1.00 0.00 O ATOM 0 H SER A 27 -15.269 -6.397 2.176 1.00 0.00 H new ATOM 0 HA SER A 27 -14.257 -9.014 1.614 1.00 0.00 H new ATOM 0 HB2 SER A 27 -16.921 -7.714 0.884 1.00 0.00 H new ATOM 0 HB3 SER A 27 -16.602 -9.424 1.101 1.00 0.00 H new ATOM 0 HG SER A 27 -17.636 -8.482 2.948 1.00 0.00 H new ATOM 418 N SER A 28 -13.583 -7.275 -0.713 1.00 0.00 N ATOM 419 CA SER A 28 -13.083 -7.279 -2.079 1.00 0.00 C ATOM 420 C SER A 28 -11.561 -7.148 -2.042 1.00 0.00 C ATOM 421 O SER A 28 -11.004 -6.604 -1.083 1.00 0.00 O ATOM 422 CB SER A 28 -13.768 -6.159 -2.873 1.00 0.00 C ATOM 423 OG SER A 28 -13.910 -6.524 -4.234 1.00 0.00 O ATOM 0 H SER A 28 -13.147 -6.569 -0.119 1.00 0.00 H new ATOM 0 HA SER A 28 -13.318 -8.214 -2.588 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.748 -5.949 -2.444 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.183 -5.242 -2.796 1.00 0.00 H new ATOM 0 HG SER A 28 -14.350 -5.798 -4.723 1.00 0.00 H new ATOM 429 N LYS A 29 -10.873 -7.611 -3.093 1.00 0.00 N ATOM 430 CA LYS A 29 -9.408 -7.674 -3.152 1.00 0.00 C ATOM 431 C LYS A 29 -8.724 -6.346 -2.875 1.00 0.00 C ATOM 432 O LYS A 29 -7.571 -6.303 -2.467 1.00 0.00 O ATOM 433 CB LYS A 29 -8.936 -8.314 -4.469 1.00 0.00 C ATOM 434 CG LYS A 29 -8.575 -7.345 -5.601 1.00 0.00 C ATOM 435 CD LYS A 29 -9.757 -6.579 -6.198 1.00 0.00 C ATOM 436 CE LYS A 29 -9.232 -5.227 -6.688 1.00 0.00 C ATOM 437 NZ LYS A 29 -8.746 -5.244 -8.088 1.00 0.00 N ATOM 0 H LYS A 29 -11.326 -7.958 -3.939 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.096 -8.322 -2.333 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.064 -8.932 -4.256 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.720 -8.981 -4.826 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.848 -6.625 -5.225 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.086 -7.906 -6.397 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.200 -7.139 -7.022 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.539 -6.439 -5.451 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.026 -4.486 -6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.420 -4.905 -6.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.407 -4.296 -8.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.967 -5.927 -8.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.523 -5.521 -8.722 1.00 0.00 H new ATOM 451 N LEU A 30 -9.417 -5.255 -3.170 1.00 0.00 N ATOM 452 CA LEU A 30 -8.868 -3.917 -3.185 1.00 0.00 C ATOM 453 C LEU A 30 -8.326 -3.526 -1.813 1.00 0.00 C ATOM 454 O LEU A 30 -7.186 -3.078 -1.726 1.00 0.00 O ATOM 455 CB LEU A 30 -9.961 -2.978 -3.689 1.00 0.00 C ATOM 456 CG LEU A 30 -9.497 -1.575 -4.084 1.00 0.00 C ATOM 457 CD1 LEU A 30 -8.996 -0.751 -2.906 1.00 0.00 C ATOM 458 CD2 LEU A 30 -8.433 -1.589 -5.174 1.00 0.00 C ATOM 0 H LEU A 30 -10.407 -5.284 -3.412 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.011 -3.855 -3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.441 -3.439 -4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.721 -2.885 -2.913 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.395 -1.098 -4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.683 0.232 -3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.796 -0.637 -2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.150 -1.257 -2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.143 -0.566 -5.413 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.561 -2.141 -4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.833 -2.070 -6.067 1.00 0.00 H new ATOM 470 N TRP A 31 -9.101 -3.717 -0.742 1.00 0.00 N ATOM 471 CA TRP A 31 -8.652 -3.451 0.621 1.00 0.00 C ATOM 472 C TRP A 31 -7.277 -4.080 0.865 1.00 0.00 C ATOM 473 O TRP A 31 -6.333 -3.407 1.282 1.00 0.00 O ATOM 474 CB TRP A 31 -9.720 -3.986 1.584 1.00 0.00 C ATOM 475 CG TRP A 31 -9.412 -3.865 3.040 1.00 0.00 C ATOM 476 CD1 TRP A 31 -9.473 -2.728 3.768 1.00 0.00 C ATOM 477 CD2 TRP A 31 -9.021 -4.915 3.973 1.00 0.00 C ATOM 478 NE1 TRP A 31 -9.161 -3.007 5.086 1.00 0.00 N ATOM 479 CE2 TRP A 31 -8.877 -4.341 5.269 1.00 0.00 C ATOM 480 CE3 TRP A 31 -8.789 -6.300 3.856 1.00 0.00 C ATOM 481 CZ2 TRP A 31 -8.523 -5.098 6.395 1.00 0.00 C ATOM 482 CZ3 TRP A 31 -8.434 -7.071 4.976 1.00 0.00 C ATOM 483 CH2 TRP A 31 -8.292 -6.475 6.241 1.00 0.00 C ATOM 0 H TRP A 31 -10.059 -4.061 -0.799 1.00 0.00 H new ATOM 0 HA TRP A 31 -8.532 -2.381 0.788 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -10.654 -3.461 1.386 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -9.891 -5.038 1.356 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -9.726 -1.752 3.380 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -9.144 -2.310 5.831 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -8.885 -6.776 2.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -8.430 -4.630 7.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -8.269 -8.132 4.864 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -8.006 -7.074 7.093 1.00 0.00 H new ATOM 494 N ALA A 32 -7.143 -5.354 0.502 1.00 0.00 N ATOM 495 CA ALA A 32 -5.914 -6.096 0.685 1.00 0.00 C ATOM 496 C ALA A 32 -4.811 -5.619 -0.249 1.00 0.00 C ATOM 497 O ALA A 32 -3.690 -5.493 0.225 1.00 0.00 O ATOM 498 CB ALA A 32 -6.176 -7.570 0.463 1.00 0.00 C ATOM 0 H ALA A 32 -7.892 -5.896 0.071 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.571 -5.926 1.706 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.250 -8.129 0.601 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.921 -7.919 1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.546 -7.725 -0.550 1.00 0.00 H new ATOM 504 N GLN A 33 -5.099 -5.327 -1.528 1.00 0.00 N ATOM 505 CA GLN A 33 -4.131 -4.785 -2.493 1.00 0.00 C ATOM 506 C GLN A 33 -3.333 -3.653 -1.872 1.00 0.00 C ATOM 507 O GLN A 33 -2.127 -3.549 -2.076 1.00 0.00 O ATOM 508 CB GLN A 33 -4.814 -4.190 -3.733 1.00 0.00 C ATOM 509 CG GLN A 33 -5.358 -5.237 -4.689 1.00 0.00 C ATOM 510 CD GLN A 33 -4.364 -5.553 -5.792 1.00 0.00 C ATOM 511 OE1 GLN A 33 -3.715 -6.590 -5.749 1.00 0.00 O ATOM 512 NE2 GLN A 33 -4.236 -4.708 -6.795 1.00 0.00 N ATOM 0 H GLN A 33 -6.028 -5.464 -1.926 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.497 -5.625 -2.776 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.631 -3.544 -3.412 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.100 -3.561 -4.264 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.593 -6.147 -4.138 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.290 -4.881 -5.128 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.786 -3.849 -6.812 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.587 -4.913 -7.555 1.00 0.00 H new ATOM 521 N CYS A 34 -4.030 -2.798 -1.129 1.00 0.00 N ATOM 522 CA CYS A 34 -3.394 -1.670 -0.497 1.00 0.00 C ATOM 523 C CYS A 34 -2.466 -2.185 0.596 1.00 0.00 C ATOM 524 O CYS A 34 -1.250 -1.974 0.542 1.00 0.00 O ATOM 525 CB CYS A 34 -4.462 -0.705 0.019 1.00 0.00 C ATOM 526 SG CYS A 34 -3.768 0.964 0.146 1.00 0.00 S ATOM 0 H CYS A 34 -5.032 -2.873 -0.956 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.785 -1.108 -1.205 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.319 -0.702 -0.654 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.823 -1.034 0.993 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.604 1.735 0.777 1.00 0.00 H new ATOM 532 N VAL A 35 -3.060 -2.834 1.598 1.00 0.00 N ATOM 533 CA VAL A 35 -2.398 -3.227 2.830 1.00 0.00 C ATOM 534 C VAL A 35 -1.167 -4.090 2.516 1.00 0.00 C ATOM 535 O VAL A 35 -0.109 -3.849 3.092 1.00 0.00 O ATOM 536 CB VAL A 35 -3.440 -3.920 3.735 1.00 0.00 C ATOM 537 CG1 VAL A 35 -2.846 -4.410 5.057 1.00 0.00 C ATOM 538 CG2 VAL A 35 -4.610 -2.992 4.114 1.00 0.00 C ATOM 0 H VAL A 35 -4.043 -3.106 1.568 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.014 -2.364 3.374 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.789 -4.759 3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.625 -4.888 5.651 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.051 -5.128 4.855 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.438 -3.563 5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.311 -3.532 4.750 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.227 -2.124 4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.121 -2.663 3.209 1.00 0.00 H new ATOM 548 N GLN A 36 -1.275 -5.038 1.580 1.00 0.00 N ATOM 549 CA GLN A 36 -0.193 -5.931 1.195 1.00 0.00 C ATOM 550 C GLN A 36 0.929 -5.198 0.469 1.00 0.00 C ATOM 551 O GLN A 36 2.100 -5.390 0.788 1.00 0.00 O ATOM 552 CB GLN A 36 -0.716 -7.123 0.371 1.00 0.00 C ATOM 553 CG GLN A 36 -1.357 -6.878 -1.006 1.00 0.00 C ATOM 554 CD GLN A 36 -0.558 -7.484 -2.153 1.00 0.00 C ATOM 555 OE1 GLN A 36 0.664 -7.028 -2.367 1.00 0.00 O flip ATOM 556 NE2 GLN A 36 -1.044 -8.375 -2.855 1.00 0.00 N flip ATOM 0 H GLN A 36 -2.138 -5.204 1.062 1.00 0.00 H new ATOM 0 HA GLN A 36 0.235 -6.327 2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 36 0.119 -7.808 0.224 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.451 -7.644 0.984 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.364 -7.296 -1.011 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.457 -5.805 -1.168 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.989 -8.711 -2.671 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.500 -8.776 -3.619 1.00 0.00 H new ATOM 565 N LEU A 37 0.597 -4.388 -0.546 1.00 0.00 N ATOM 566 CA LEU A 37 1.615 -3.801 -1.416 1.00 0.00 C ATOM 567 C LEU A 37 2.500 -2.851 -0.604 1.00 0.00 C ATOM 568 O LEU A 37 3.693 -2.758 -0.869 1.00 0.00 O ATOM 569 CB LEU A 37 0.963 -3.147 -2.641 1.00 0.00 C ATOM 570 CG LEU A 37 1.933 -2.971 -3.831 1.00 0.00 C ATOM 571 CD1 LEU A 37 1.157 -2.903 -5.148 1.00 0.00 C ATOM 572 CD2 LEU A 37 2.843 -1.753 -3.683 1.00 0.00 C ATOM 0 H LEU A 37 -0.361 -4.128 -0.780 1.00 0.00 H new ATOM 0 HA LEU A 37 2.270 -4.578 -1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.115 -3.753 -2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.568 -2.172 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 37 2.582 -3.847 -3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.855 -2.779 -5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.592 -3.825 -5.285 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.470 -2.057 -5.123 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.501 -1.683 -4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.235 -0.851 -3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.443 -1.855 -2.779 1.00 0.00 H new ATOM 584 N HIS A 38 1.949 -2.225 0.446 1.00 0.00 N ATOM 585 CA HIS A 38 2.718 -1.436 1.398 1.00 0.00 C ATOM 586 C HIS A 38 3.893 -2.217 1.971 1.00 0.00 C ATOM 587 O HIS A 38 5.031 -1.777 1.842 1.00 0.00 O ATOM 588 CB HIS A 38 1.787 -0.897 2.495 1.00 0.00 C ATOM 589 CG HIS A 38 2.459 -0.435 3.767 1.00 0.00 C ATOM 590 ND1 HIS A 38 2.811 -1.231 4.842 1.00 0.00 N ATOM 591 CD2 HIS A 38 2.791 0.856 4.084 1.00 0.00 C ATOM 592 CE1 HIS A 38 3.361 -0.429 5.771 1.00 0.00 C ATOM 593 NE2 HIS A 38 3.369 0.844 5.351 1.00 0.00 N ATOM 0 H HIS A 38 0.951 -2.257 0.653 1.00 0.00 H new ATOM 0 HA HIS A 38 3.155 -0.587 0.872 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.219 -0.062 2.084 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.069 -1.676 2.750 1.00 0.00 H new ATOM 0 HD1 HIS A 38 2.678 -2.240 4.916 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.633 1.726 3.463 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.743 -0.764 6.724 1.00 0.00 H new ATOM 601 N ASN A 39 3.657 -3.370 2.598 1.00 0.00 N ATOM 602 CA ASN A 39 4.762 -4.066 3.265 1.00 0.00 C ATOM 603 C ASN A 39 5.754 -4.594 2.228 1.00 0.00 C ATOM 604 O ASN A 39 6.961 -4.632 2.469 1.00 0.00 O ATOM 605 CB ASN A 39 4.338 -5.178 4.229 1.00 0.00 C ATOM 606 CG ASN A 39 2.899 -5.037 4.663 1.00 0.00 C ATOM 607 OD1 ASN A 39 2.563 -4.189 5.495 1.00 0.00 O ATOM 608 ND2 ASN A 39 2.026 -5.753 3.996 1.00 0.00 N ATOM 0 H ASN A 39 2.748 -3.829 2.659 1.00 0.00 H new ATOM 0 HA ASN A 39 5.241 -3.318 3.897 1.00 0.00 H new ATOM 0 HB2 ASN A 39 4.478 -6.146 3.748 1.00 0.00 H new ATOM 0 HB3 ASN A 39 4.984 -5.162 5.107 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.028 -5.619 4.156 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.345 -6.444 3.317 1.00 0.00 H new ATOM 615 N ASP A 40 5.261 -4.933 1.036 1.00 0.00 N ATOM 616 CA ASP A 40 6.053 -5.372 -0.106 1.00 0.00 C ATOM 617 C ASP A 40 7.004 -4.289 -0.644 1.00 0.00 C ATOM 618 O ASP A 40 7.736 -4.583 -1.590 1.00 0.00 O ATOM 619 CB ASP A 40 5.136 -5.917 -1.226 1.00 0.00 C ATOM 620 CG ASP A 40 4.537 -7.302 -0.941 1.00 0.00 C ATOM 621 OD1 ASP A 40 4.983 -8.000 0.003 1.00 0.00 O ATOM 622 OD2 ASP A 40 3.629 -7.736 -1.686 1.00 0.00 O ATOM 0 H ASP A 40 4.261 -4.907 0.835 1.00 0.00 H new ATOM 0 HA ASP A 40 6.693 -6.178 0.252 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.323 -5.210 -1.389 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.706 -5.966 -2.154 1.00 0.00 H new ATOM 627 N ILE A 41 7.047 -3.062 -0.096 1.00 0.00 N ATOM 628 CA ILE A 41 8.022 -2.049 -0.511 1.00 0.00 C ATOM 629 C ILE A 41 9.309 -2.344 0.253 1.00 0.00 C ATOM 630 O ILE A 41 10.394 -2.426 -0.320 1.00 0.00 O ATOM 631 CB ILE A 41 7.481 -0.624 -0.201 1.00 0.00 C ATOM 632 CG1 ILE A 41 6.119 -0.337 -0.865 1.00 0.00 C ATOM 633 CG2 ILE A 41 8.436 0.512 -0.610 1.00 0.00 C ATOM 634 CD1 ILE A 41 6.050 -0.696 -2.344 1.00 0.00 C ATOM 0 H ILE A 41 6.412 -2.751 0.639 1.00 0.00 H new ATOM 0 HA ILE A 41 8.207 -2.084 -1.585 1.00 0.00 H new ATOM 0 HB ILE A 41 7.378 -0.634 0.884 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.346 -0.891 -0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.889 0.722 -0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.986 1.473 -0.361 1.00 0.00 H new ATOM 0 HG22 ILE A 41 9.380 0.404 -0.076 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.619 0.465 -1.683 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.058 -0.462 -2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.797 -0.123 -2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.246 -1.761 -2.469 1.00 0.00 H new ATOM 646 N LEU A 42 9.179 -2.550 1.562 1.00 0.00 N ATOM 647 CA LEU A 42 10.273 -2.819 2.479 1.00 0.00 C ATOM 648 C LEU A 42 10.812 -4.240 2.290 1.00 0.00 C ATOM 649 O LEU A 42 11.916 -4.573 2.726 1.00 0.00 O ATOM 650 CB LEU A 42 9.754 -2.688 3.922 1.00 0.00 C ATOM 651 CG LEU A 42 8.875 -1.471 4.269 1.00 0.00 C ATOM 652 CD1 LEU A 42 9.395 -0.155 3.720 1.00 0.00 C ATOM 653 CD2 LEU A 42 7.392 -1.611 3.972 1.00 0.00 C ATOM 0 H LEU A 42 8.271 -2.532 2.026 1.00 0.00 H new ATOM 0 HA LEU A 42 11.073 -2.106 2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.185 -3.588 4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.617 -2.676 4.587 1.00 0.00 H new ATOM 0 HG LEU A 42 8.963 -1.450 5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.720 0.651 4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.388 0.041 4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.451 -0.211 2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.876 -0.694 4.257 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.250 -1.791 2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.985 -2.448 4.539 1.00 0.00 H new ATOM 665 N LEU A 43 10.028 -5.110 1.657 1.00 0.00 N ATOM 666 CA LEU A 43 10.354 -6.502 1.368 1.00 0.00 C ATOM 667 C LEU A 43 10.681 -6.645 -0.123 1.00 0.00 C ATOM 668 O LEU A 43 10.572 -7.738 -0.680 1.00 0.00 O ATOM 669 CB LEU A 43 9.198 -7.405 1.838 1.00 0.00 C ATOM 670 CG LEU A 43 9.250 -7.798 3.330 1.00 0.00 C ATOM 671 CD1 LEU A 43 9.354 -6.636 4.329 1.00 0.00 C ATOM 672 CD2 LEU A 43 7.965 -8.556 3.660 1.00 0.00 C ATOM 0 H LEU A 43 9.103 -4.849 1.316 1.00 0.00 H new ATOM 0 HA LEU A 43 11.241 -6.822 1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.255 -6.895 1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.198 -8.314 1.237 1.00 0.00 H new ATOM 0 HG LEU A 43 10.164 -8.381 3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.383 -7.031 5.345 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.264 -6.069 4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.489 -5.983 4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.974 -8.847 4.710 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.105 -7.915 3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.898 -9.448 3.037 1.00 0.00 H new ATOM 684 N ALA A 44 11.054 -5.546 -0.782 1.00 0.00 N ATOM 685 CA ALA A 44 11.616 -5.577 -2.121 1.00 0.00 C ATOM 686 C ALA A 44 13.148 -5.616 -2.085 1.00 0.00 C ATOM 687 O ALA A 44 13.791 -5.361 -1.065 1.00 0.00 O ATOM 688 CB ALA A 44 11.130 -4.370 -2.906 1.00 0.00 C ATOM 0 H ALA A 44 10.971 -4.607 -0.393 1.00 0.00 H new ATOM 0 HA ALA A 44 11.279 -6.488 -2.615 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.553 -4.395 -3.910 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.042 -4.391 -2.970 1.00 0.00 H new ATOM 0 HB3 ALA A 44 11.446 -3.457 -2.402 1.00 0.00 H new ATOM 694 N LYS A 45 13.722 -5.914 -3.249 1.00 0.00 N ATOM 695 CA LYS A 45 15.114 -6.294 -3.451 1.00 0.00 C ATOM 696 C LYS A 45 16.041 -5.107 -3.242 1.00 0.00 C ATOM 697 O LYS A 45 16.945 -5.145 -2.406 1.00 0.00 O ATOM 698 CB LYS A 45 15.281 -6.834 -4.885 1.00 0.00 C ATOM 699 CG LYS A 45 14.257 -7.911 -5.268 1.00 0.00 C ATOM 700 CD LYS A 45 14.427 -9.240 -4.527 1.00 0.00 C ATOM 701 CE LYS A 45 15.546 -10.005 -5.229 1.00 0.00 C ATOM 702 NZ LYS A 45 16.083 -11.114 -4.419 1.00 0.00 N ATOM 0 H LYS A 45 13.197 -5.895 -4.123 1.00 0.00 H new ATOM 0 HA LYS A 45 15.378 -7.062 -2.724 1.00 0.00 H new ATOM 0 HB2 LYS A 45 15.200 -6.004 -5.587 1.00 0.00 H new ATOM 0 HB3 LYS A 45 16.284 -7.246 -4.993 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.255 -7.527 -5.075 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.326 -8.096 -6.340 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.676 -9.068 -3.480 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.499 -9.812 -4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.171 -10.400 -6.173 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.354 -9.315 -5.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.839 -11.595 -4.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.468 -10.739 -3.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.322 -11.791 -4.209 1.00 0.00 H new ATOM 716 N ASP A 46 15.815 -4.059 -4.025 1.00 0.00 N ATOM 717 CA ASP A 46 16.667 -2.896 -4.151 1.00 0.00 C ATOM 718 C ASP A 46 15.766 -1.678 -4.185 1.00 0.00 C ATOM 719 O ASP A 46 14.542 -1.787 -4.260 1.00 0.00 O ATOM 720 CB ASP A 46 17.516 -2.927 -5.427 1.00 0.00 C ATOM 721 CG ASP A 46 18.261 -4.254 -5.644 1.00 0.00 C ATOM 722 OD1 ASP A 46 19.244 -4.494 -4.906 1.00 0.00 O ATOM 723 OD2 ASP A 46 17.905 -5.044 -6.545 1.00 0.00 O ATOM 0 H ASP A 46 14.987 -4.000 -4.618 1.00 0.00 H new ATOM 0 HA ASP A 46 17.358 -2.874 -3.308 1.00 0.00 H new ATOM 0 HB2 ASP A 46 16.872 -2.738 -6.286 1.00 0.00 H new ATOM 0 HB3 ASP A 46 18.242 -2.115 -5.389 1.00 0.00 H new ATOM 728 N THR A 47 16.370 -0.503 -4.161 1.00 0.00 N ATOM 729 CA THR A 47 15.670 0.751 -4.042 1.00 0.00 C ATOM 730 C THR A 47 14.722 0.985 -5.209 1.00 0.00 C ATOM 731 O THR A 47 13.562 1.341 -4.973 1.00 0.00 O ATOM 732 CB THR A 47 16.749 1.817 -3.919 1.00 0.00 C ATOM 733 OG1 THR A 47 17.312 1.679 -2.631 1.00 0.00 O ATOM 734 CG2 THR A 47 16.164 3.201 -4.082 1.00 0.00 C ATOM 0 H THR A 47 17.383 -0.399 -4.225 1.00 0.00 H new ATOM 0 HA THR A 47 15.020 0.769 -3.168 1.00 0.00 H new ATOM 0 HB THR A 47 17.501 1.690 -4.698 1.00 0.00 H new ATOM 0 HG1 THR A 47 18.116 2.235 -2.564 1.00 0.00 H new ATOM 0 HG21 THR A 47 16.956 3.944 -3.990 1.00 0.00 H new ATOM 0 HG22 THR A 47 15.699 3.286 -5.064 1.00 0.00 H new ATOM 0 HG23 THR A 47 15.414 3.372 -3.310 1.00 0.00 H new ATOM 742 N THR A 48 15.201 0.846 -6.451 1.00 0.00 N ATOM 743 CA THR A 48 14.339 1.089 -7.592 1.00 0.00 C ATOM 744 C THR A 48 13.190 0.085 -7.537 1.00 0.00 C ATOM 745 O THR A 48 12.028 0.468 -7.626 1.00 0.00 O ATOM 746 CB THR A 48 15.133 1.112 -8.915 1.00 0.00 C ATOM 747 OG1 THR A 48 14.320 1.584 -9.973 1.00 0.00 O ATOM 748 CG2 THR A 48 15.773 -0.218 -9.328 1.00 0.00 C ATOM 0 H THR A 48 16.157 0.573 -6.679 1.00 0.00 H new ATOM 0 HA THR A 48 13.901 2.086 -7.549 1.00 0.00 H new ATOM 0 HB THR A 48 15.963 1.791 -8.718 1.00 0.00 H new ATOM 0 HG1 THR A 48 14.839 1.594 -10.805 1.00 0.00 H new ATOM 0 HG21 THR A 48 16.305 -0.089 -10.270 1.00 0.00 H new ATOM 0 HG22 THR A 48 16.473 -0.540 -8.557 1.00 0.00 H new ATOM 0 HG23 THR A 48 14.996 -0.973 -9.451 1.00 0.00 H new ATOM 756 N GLU A 49 13.506 -1.188 -7.310 1.00 0.00 N ATOM 757 CA GLU A 49 12.557 -2.286 -7.470 1.00 0.00 C ATOM 758 C GLU A 49 11.593 -2.381 -6.275 1.00 0.00 C ATOM 759 O GLU A 49 10.611 -3.128 -6.324 1.00 0.00 O ATOM 760 CB GLU A 49 13.380 -3.568 -7.714 1.00 0.00 C ATOM 761 CG GLU A 49 12.590 -4.718 -8.367 1.00 0.00 C ATOM 762 CD GLU A 49 13.488 -5.841 -8.917 1.00 0.00 C ATOM 763 OE1 GLU A 49 14.613 -5.559 -9.394 1.00 0.00 O ATOM 764 OE2 GLU A 49 13.040 -7.011 -8.906 1.00 0.00 O ATOM 0 H GLU A 49 14.433 -1.488 -7.008 1.00 0.00 H new ATOM 0 HA GLU A 49 11.903 -2.121 -8.326 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.232 -3.323 -8.348 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.781 -3.914 -6.761 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.902 -5.139 -7.634 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.984 -4.317 -9.179 1.00 0.00 H new ATOM 771 N ALA A 50 11.852 -1.598 -5.219 1.00 0.00 N ATOM 772 CA ALA A 50 10.917 -1.307 -4.150 1.00 0.00 C ATOM 773 C ALA A 50 9.885 -0.309 -4.637 1.00 0.00 C ATOM 774 O ALA A 50 8.708 -0.642 -4.769 1.00 0.00 O ATOM 775 CB ALA A 50 11.666 -0.766 -2.924 1.00 0.00 C ATOM 0 H ALA A 50 12.754 -1.139 -5.091 1.00 0.00 H new ATOM 0 HA ALA A 50 10.405 -2.223 -3.856 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.953 -0.551 -2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.383 -1.510 -2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.194 0.148 -3.195 1.00 0.00 H new ATOM 781 N PHE A 51 10.299 0.935 -4.881 1.00 0.00 N ATOM 782 CA PHE A 51 9.306 1.972 -5.102 1.00 0.00 C ATOM 783 C PHE A 51 8.631 1.831 -6.481 1.00 0.00 C ATOM 784 O PHE A 51 7.535 2.356 -6.667 1.00 0.00 O ATOM 785 CB PHE A 51 9.873 3.363 -4.804 1.00 0.00 C ATOM 786 CG PHE A 51 10.398 4.102 -6.007 1.00 0.00 C ATOM 787 CD1 PHE A 51 11.530 3.643 -6.703 1.00 0.00 C ATOM 788 CD2 PHE A 51 9.686 5.221 -6.469 1.00 0.00 C ATOM 789 CE1 PHE A 51 11.916 4.277 -7.895 1.00 0.00 C ATOM 790 CE2 PHE A 51 10.071 5.850 -7.656 1.00 0.00 C ATOM 791 CZ PHE A 51 11.179 5.372 -8.377 1.00 0.00 C ATOM 0 H PHE A 51 11.273 1.236 -4.928 1.00 0.00 H new ATOM 0 HA PHE A 51 8.498 1.837 -4.383 1.00 0.00 H new ATOM 0 HB2 PHE A 51 9.094 3.965 -4.337 1.00 0.00 H new ATOM 0 HB3 PHE A 51 10.678 3.263 -4.076 1.00 0.00 H new ATOM 0 HD1 PHE A 51 12.099 2.808 -6.323 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.842 5.595 -5.908 1.00 0.00 H new ATOM 0 HE1 PHE A 51 12.778 3.923 -8.441 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.517 6.703 -8.019 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.465 5.848 -9.304 1.00 0.00 H new ATOM 801 N GLU A 52 9.193 1.027 -7.395 1.00 0.00 N ATOM 802 CA GLU A 52 8.597 0.657 -8.680 1.00 0.00 C ATOM 803 C GLU A 52 7.146 0.169 -8.543 1.00 0.00 C ATOM 804 O GLU A 52 6.308 0.505 -9.386 1.00 0.00 O ATOM 805 CB GLU A 52 9.450 -0.410 -9.393 1.00 0.00 C ATOM 806 CG GLU A 52 10.493 0.175 -10.371 1.00 0.00 C ATOM 807 CD GLU A 52 10.359 -0.399 -11.782 1.00 0.00 C ATOM 808 OE1 GLU A 52 9.269 -0.296 -12.383 1.00 0.00 O ATOM 809 OE2 GLU A 52 11.361 -0.959 -12.294 1.00 0.00 O ATOM 0 H GLU A 52 10.109 0.603 -7.251 1.00 0.00 H new ATOM 0 HA GLU A 52 8.577 1.564 -9.284 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.966 -1.010 -8.643 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.790 -1.083 -9.941 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.381 1.259 -10.411 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.495 -0.028 -9.993 1.00 0.00 H new ATOM 816 N LYS A 53 6.820 -0.602 -7.495 1.00 0.00 N ATOM 817 CA LYS A 53 5.441 -1.042 -7.266 1.00 0.00 C ATOM 818 C LYS A 53 4.629 0.019 -6.508 1.00 0.00 C ATOM 819 O LYS A 53 3.449 0.209 -6.799 1.00 0.00 O ATOM 820 CB LYS A 53 5.397 -2.454 -6.645 1.00 0.00 C ATOM 821 CG LYS A 53 5.996 -2.578 -5.246 1.00 0.00 C ATOM 822 CD LYS A 53 5.938 -3.989 -4.634 1.00 0.00 C ATOM 823 CE LYS A 53 7.239 -4.748 -4.933 1.00 0.00 C ATOM 824 NZ LYS A 53 7.451 -5.908 -4.047 1.00 0.00 N ATOM 0 H LYS A 53 7.489 -0.930 -6.799 1.00 0.00 H new ATOM 0 HA LYS A 53 4.941 -1.141 -8.229 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.358 -2.782 -6.607 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.924 -3.140 -7.308 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.037 -2.258 -5.284 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.474 -1.889 -4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.787 -3.921 -3.557 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.087 -4.536 -5.041 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.224 -5.088 -5.969 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.082 -4.064 -4.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.269 -6.456 -4.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.630 -5.576 -3.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.604 -6.511 -4.056 1.00 0.00 H new ATOM 838 N MET A 54 5.249 0.770 -5.589 1.00 0.00 N ATOM 839 CA MET A 54 4.598 1.832 -4.815 1.00 0.00 C ATOM 840 C MET A 54 3.934 2.849 -5.729 1.00 0.00 C ATOM 841 O MET A 54 2.783 3.222 -5.512 1.00 0.00 O ATOM 842 CB MET A 54 5.652 2.517 -3.933 1.00 0.00 C ATOM 843 CG MET A 54 5.300 3.921 -3.425 1.00 0.00 C ATOM 844 SD MET A 54 6.536 4.808 -2.457 1.00 0.00 S ATOM 845 CE MET A 54 7.442 3.414 -1.778 1.00 0.00 C ATOM 0 H MET A 54 6.236 0.653 -5.359 1.00 0.00 H new ATOM 0 HA MET A 54 3.819 1.393 -4.192 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.845 1.879 -3.071 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.583 2.580 -4.497 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.050 4.536 -4.290 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.397 3.840 -2.819 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.013 3.740 -0.909 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.741 2.635 -1.480 1.00 0.00 H new ATOM 0 HE3 MET A 54 8.123 3.020 -2.533 1.00 0.00 H new ATOM 855 N VAL A 55 4.647 3.321 -6.743 1.00 0.00 N ATOM 856 CA VAL A 55 4.148 4.419 -7.558 1.00 0.00 C ATOM 857 C VAL A 55 2.973 4.041 -8.448 1.00 0.00 C ATOM 858 O VAL A 55 2.266 4.908 -8.958 1.00 0.00 O ATOM 859 CB VAL A 55 5.272 4.939 -8.442 1.00 0.00 C ATOM 860 CG1 VAL A 55 6.301 5.677 -7.568 1.00 0.00 C ATOM 861 CG2 VAL A 55 5.950 3.881 -9.311 1.00 0.00 C ATOM 0 H VAL A 55 5.562 2.965 -7.018 1.00 0.00 H new ATOM 0 HA VAL A 55 3.793 5.179 -6.862 1.00 0.00 H new ATOM 0 HB VAL A 55 4.812 5.622 -9.156 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.109 6.052 -8.196 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.817 6.512 -7.063 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.707 4.990 -6.826 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.736 4.347 -9.905 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.384 3.111 -8.674 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.213 3.429 -9.975 1.00 0.00 H new ATOM 871 N SER A 56 2.786 2.749 -8.649 1.00 0.00 N ATOM 872 CA SER A 56 1.700 2.185 -9.420 1.00 0.00 C ATOM 873 C SER A 56 0.498 1.913 -8.485 1.00 0.00 C ATOM 874 O SER A 56 -0.661 2.110 -8.874 1.00 0.00 O ATOM 875 CB SER A 56 2.293 0.926 -10.052 1.00 0.00 C ATOM 876 OG SER A 56 3.327 1.235 -10.981 1.00 0.00 O ATOM 0 H SER A 56 3.411 2.040 -8.264 1.00 0.00 H new ATOM 0 HA SER A 56 1.311 2.841 -10.199 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.689 0.279 -9.269 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.505 0.368 -10.558 1.00 0.00 H new ATOM 0 HG SER A 56 3.683 0.405 -11.363 1.00 0.00 H new ATOM 882 N LEU A 57 0.772 1.575 -7.216 1.00 0.00 N ATOM 883 CA LEU A 57 -0.176 1.310 -6.147 1.00 0.00 C ATOM 884 C LEU A 57 -1.020 2.550 -5.876 1.00 0.00 C ATOM 885 O LEU A 57 -2.247 2.494 -5.906 1.00 0.00 O ATOM 886 CB LEU A 57 0.612 0.828 -4.917 1.00 0.00 C ATOM 887 CG LEU A 57 -0.080 0.747 -3.551 1.00 0.00 C ATOM 888 CD1 LEU A 57 -0.252 2.127 -2.925 1.00 0.00 C ATOM 889 CD2 LEU A 57 -1.378 -0.048 -3.548 1.00 0.00 C ATOM 0 H LEU A 57 1.736 1.475 -6.897 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.879 0.525 -6.425 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.996 -0.166 -5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.475 1.485 -4.806 1.00 0.00 H new ATOM 0 HG LEU A 57 0.598 0.173 -2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.746 2.029 -1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.726 2.589 -2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.859 2.751 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.799 -0.053 -2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.088 0.411 -4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.178 -1.072 -3.863 1.00 0.00 H new ATOM 901 N LEU A 58 -0.379 3.692 -5.647 1.00 0.00 N ATOM 902 CA LEU A 58 -1.062 4.933 -5.290 1.00 0.00 C ATOM 903 C LEU A 58 -2.038 5.444 -6.338 1.00 0.00 C ATOM 904 O LEU A 58 -2.692 6.434 -6.065 1.00 0.00 O ATOM 905 CB LEU A 58 -0.038 6.014 -4.917 1.00 0.00 C ATOM 906 CG LEU A 58 1.051 6.302 -5.962 1.00 0.00 C ATOM 907 CD1 LEU A 58 0.524 6.684 -7.338 1.00 0.00 C ATOM 908 CD2 LEU A 58 2.004 7.383 -5.447 1.00 0.00 C ATOM 0 H LEU A 58 0.635 3.784 -5.704 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.680 4.694 -4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.575 6.941 -4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.448 5.720 -3.987 1.00 0.00 H new ATOM 0 HG LEU A 58 1.580 5.359 -6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.362 6.869 -8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.085 5.871 -7.733 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.083 7.586 -7.258 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.771 7.578 -6.196 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.445 8.298 -5.253 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.475 7.043 -4.525 1.00 0.00 H new ATOM 920 N SER A 59 -2.164 4.802 -7.496 1.00 0.00 N ATOM 921 CA SER A 59 -2.991 5.236 -8.606 1.00 0.00 C ATOM 922 C SER A 59 -4.080 4.186 -8.902 1.00 0.00 C ATOM 923 O SER A 59 -5.164 4.528 -9.383 1.00 0.00 O ATOM 924 CB SER A 59 -2.061 5.496 -9.802 1.00 0.00 C ATOM 925 OG SER A 59 -2.710 6.215 -10.826 1.00 0.00 O ATOM 0 H SER A 59 -1.671 3.930 -7.689 1.00 0.00 H new ATOM 0 HA SER A 59 -3.524 6.158 -8.373 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.185 6.052 -9.467 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.703 4.545 -10.197 1.00 0.00 H new ATOM 0 HG SER A 59 -2.087 6.362 -11.568 1.00 0.00 H new ATOM 931 N VAL A 60 -3.855 2.906 -8.571 1.00 0.00 N ATOM 932 CA VAL A 60 -4.893 1.875 -8.673 1.00 0.00 C ATOM 933 C VAL A 60 -5.998 2.129 -7.640 1.00 0.00 C ATOM 934 O VAL A 60 -7.159 1.820 -7.914 1.00 0.00 O ATOM 935 CB VAL A 60 -4.305 0.441 -8.599 1.00 0.00 C ATOM 936 CG1 VAL A 60 -3.345 0.229 -7.435 1.00 0.00 C ATOM 937 CG2 VAL A 60 -5.388 -0.645 -8.574 1.00 0.00 C ATOM 0 H VAL A 60 -2.958 2.561 -8.229 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.350 1.944 -9.660 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.732 0.344 -9.521 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.976 -0.796 -7.450 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.505 0.918 -7.526 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.866 0.413 -6.495 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.918 -1.627 -8.522 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.027 -0.502 -7.702 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.990 -0.579 -9.480 1.00 0.00 H new ATOM 947 N LEU A 61 -5.682 2.719 -6.475 1.00 0.00 N ATOM 948 CA LEU A 61 -6.729 3.107 -5.538 1.00 0.00 C ATOM 949 C LEU A 61 -7.535 4.213 -6.203 1.00 0.00 C ATOM 950 O LEU A 61 -8.745 4.095 -6.337 1.00 0.00 O ATOM 951 CB LEU A 61 -6.198 3.604 -4.176 1.00 0.00 C ATOM 952 CG LEU A 61 -5.589 2.603 -3.188 1.00 0.00 C ATOM 953 CD1 LEU A 61 -6.488 1.392 -2.961 1.00 0.00 C ATOM 954 CD2 LEU A 61 -4.220 2.159 -3.654 1.00 0.00 C ATOM 0 H LEU A 61 -4.731 2.930 -6.172 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.329 2.225 -5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.442 4.363 -4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.023 4.103 -3.667 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.492 3.119 -2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.012 0.713 -2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.447 1.721 -2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.649 0.876 -3.907 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.805 1.449 -2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.305 1.683 -4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.562 3.025 -3.728 1.00 0.00 H new ATOM 966 N LEU A 62 -6.880 5.309 -6.595 1.00 0.00 N ATOM 967 CA LEU A 62 -7.579 6.534 -6.985 1.00 0.00 C ATOM 968 C LEU A 62 -8.532 6.284 -8.141 1.00 0.00 C ATOM 969 O LEU A 62 -9.636 6.824 -8.137 1.00 0.00 O ATOM 970 CB LEU A 62 -6.583 7.605 -7.459 1.00 0.00 C ATOM 971 CG LEU A 62 -5.476 7.980 -6.477 1.00 0.00 C ATOM 972 CD1 LEU A 62 -4.832 9.318 -6.830 1.00 0.00 C ATOM 973 CD2 LEU A 62 -5.898 7.910 -5.010 1.00 0.00 C ATOM 0 H LEU A 62 -5.863 5.372 -6.650 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.126 6.869 -6.104 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.119 7.256 -8.381 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.142 8.508 -7.705 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.713 7.210 -6.590 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.050 9.547 -6.107 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.398 9.261 -7.828 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.588 10.103 -6.808 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.057 8.190 -4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.728 8.596 -4.837 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.211 6.894 -4.769 1.00 0.00 H new ATOM 985 N SER A 63 -8.148 5.424 -9.083 1.00 0.00 N ATOM 986 CA SER A 63 -8.920 5.112 -10.268 1.00 0.00 C ATOM 987 C SER A 63 -10.164 4.275 -9.944 1.00 0.00 C ATOM 988 O SER A 63 -10.909 3.910 -10.855 1.00 0.00 O ATOM 989 CB SER A 63 -7.986 4.451 -11.285 1.00 0.00 C ATOM 990 OG SER A 63 -8.568 4.335 -12.565 1.00 0.00 O ATOM 0 H SER A 63 -7.265 4.915 -9.034 1.00 0.00 H new ATOM 0 HA SER A 63 -9.319 6.027 -10.706 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.067 5.033 -11.360 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.708 3.460 -10.926 1.00 0.00 H new ATOM 0 HG SER A 63 -9.524 4.140 -12.473 1.00 0.00 H new ATOM 996 N MET A 64 -10.433 3.971 -8.673 1.00 0.00 N ATOM 997 CA MET A 64 -11.668 3.345 -8.242 1.00 0.00 C ATOM 998 C MET A 64 -12.420 4.184 -7.198 1.00 0.00 C ATOM 999 O MET A 64 -13.532 3.809 -6.819 1.00 0.00 O ATOM 1000 CB MET A 64 -11.384 1.897 -7.802 1.00 0.00 C ATOM 1001 CG MET A 64 -11.071 1.712 -6.310 1.00 0.00 C ATOM 1002 SD MET A 64 -12.466 0.972 -5.405 1.00 0.00 S ATOM 1003 CE MET A 64 -11.847 1.089 -3.723 1.00 0.00 C ATOM 0 H MET A 64 -9.784 4.159 -7.909 1.00 0.00 H new ATOM 0 HA MET A 64 -12.357 3.298 -9.085 1.00 0.00 H new ATOM 0 HB2 MET A 64 -12.248 1.283 -8.054 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.543 1.517 -8.382 1.00 0.00 H new ATOM 0 HG2 MET A 64 -10.191 1.078 -6.200 1.00 0.00 H new ATOM 0 HG3 MET A 64 -10.825 2.678 -5.869 1.00 0.00 H new ATOM 0 HE1 MET A 64 -12.281 0.292 -3.119 1.00 0.00 H new ATOM 0 HE2 MET A 64 -10.761 0.991 -3.727 1.00 0.00 H new ATOM 0 HE3 MET A 64 -12.122 2.055 -3.300 1.00 0.00 H new ATOM 1013 N GLN A 65 -11.848 5.287 -6.690 1.00 0.00 N ATOM 1014 CA GLN A 65 -12.437 5.984 -5.541 1.00 0.00 C ATOM 1015 C GLN A 65 -12.008 7.446 -5.336 1.00 0.00 C ATOM 1016 O GLN A 65 -12.794 8.214 -4.791 1.00 0.00 O ATOM 1017 CB GLN A 65 -12.137 5.146 -4.284 1.00 0.00 C ATOM 1018 CG GLN A 65 -10.667 5.218 -3.871 1.00 0.00 C ATOM 1019 CD GLN A 65 -10.152 4.057 -3.033 1.00 0.00 C ATOM 1020 OE1 GLN A 65 -10.290 4.065 -1.720 1.00 0.00 O flip ATOM 1021 NE2 GLN A 65 -9.547 3.134 -3.564 1.00 0.00 N flip ATOM 0 H GLN A 65 -10.992 5.708 -7.051 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.505 6.067 -5.744 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.760 5.496 -3.461 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -12.408 4.107 -4.470 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -10.060 5.286 -4.773 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.512 6.141 -3.312 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.433 3.115 -4.577 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.157 2.384 -2.993 1.00 0.00 H new ATOM 1030 N GLY A 66 -10.787 7.830 -5.724 1.00 0.00 N ATOM 1031 CA GLY A 66 -10.291 9.196 -5.587 1.00 0.00 C ATOM 1032 C GLY A 66 -10.056 9.665 -4.144 1.00 0.00 C ATOM 1033 O GLY A 66 -10.593 10.692 -3.738 1.00 0.00 O ATOM 0 H GLY A 66 -10.112 7.192 -6.146 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.354 9.282 -6.137 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.002 9.873 -6.061 1.00 0.00 H new ATOM 1037 N ALA A 67 -9.215 8.955 -3.385 1.00 0.00 N ATOM 1038 CA ALA A 67 -8.730 9.375 -2.066 1.00 0.00 C ATOM 1039 C ALA A 67 -8.030 10.737 -2.088 1.00 0.00 C ATOM 1040 O ALA A 67 -7.641 11.209 -3.156 1.00 0.00 O ATOM 1041 CB ALA A 67 -7.694 8.354 -1.591 1.00 0.00 C ATOM 0 H ALA A 67 -8.844 8.051 -3.678 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.600 9.445 -1.413 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.318 8.646 -0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.157 7.370 -1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.867 8.318 -2.300 1.00 0.00 H new ATOM 1047 N VAL A 68 -7.729 11.285 -0.899 1.00 0.00 N ATOM 1048 CA VAL A 68 -6.811 12.423 -0.778 1.00 0.00 C ATOM 1049 C VAL A 68 -5.440 11.974 -0.241 1.00 0.00 C ATOM 1050 O VAL A 68 -4.455 12.060 -0.974 1.00 0.00 O ATOM 1051 CB VAL A 68 -7.477 13.600 -0.030 1.00 0.00 C ATOM 1052 CG1 VAL A 68 -8.487 14.295 -0.959 1.00 0.00 C ATOM 1053 CG2 VAL A 68 -8.197 13.214 1.264 1.00 0.00 C ATOM 0 H VAL A 68 -8.109 10.957 -0.011 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.592 12.826 -1.767 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.658 14.261 0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.956 15.125 -0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.970 14.672 -1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.252 13.581 -1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.632 14.104 1.718 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.987 12.497 1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.485 12.765 1.957 1.00 0.00 H new ATOM 1063 N ASP A 69 -5.364 11.430 0.981 1.00 0.00 N ATOM 1064 CA ASP A 69 -4.186 11.036 1.798 1.00 0.00 C ATOM 1065 C ASP A 69 -3.319 9.916 1.207 1.00 0.00 C ATOM 1066 O ASP A 69 -2.497 9.325 1.901 1.00 0.00 O ATOM 1067 CB ASP A 69 -4.674 10.702 3.221 1.00 0.00 C ATOM 1068 CG ASP A 69 -5.112 11.957 3.971 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -4.268 12.846 4.208 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -6.330 12.099 4.219 1.00 0.00 O ATOM 0 H ASP A 69 -6.225 11.228 1.490 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.506 11.888 1.812 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.507 10.001 3.166 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.876 10.207 3.774 1.00 0.00 H new ATOM 1075 N ILE A 70 -3.441 9.617 -0.084 1.00 0.00 N ATOM 1076 CA ILE A 70 -2.837 8.443 -0.701 1.00 0.00 C ATOM 1077 C ILE A 70 -1.307 8.491 -0.684 1.00 0.00 C ATOM 1078 O ILE A 70 -0.637 7.458 -0.674 1.00 0.00 O ATOM 1079 CB ILE A 70 -3.409 8.306 -2.131 1.00 0.00 C ATOM 1080 CG1 ILE A 70 -3.211 6.912 -2.750 1.00 0.00 C ATOM 1081 CG2 ILE A 70 -2.790 9.339 -3.090 1.00 0.00 C ATOM 1082 CD1 ILE A 70 -3.905 5.784 -1.991 1.00 0.00 C ATOM 0 H ILE A 70 -3.970 10.193 -0.739 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.092 7.557 -0.120 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.478 8.480 -2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.582 6.926 -3.775 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.143 6.698 -2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.216 9.212 -4.085 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.004 10.345 -2.729 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.711 9.192 -3.136 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.715 4.836 -2.494 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.518 5.739 -0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.979 5.971 -1.963 1.00 0.00 H new ATOM 1094 N ASN A 71 -0.744 9.697 -0.704 1.00 0.00 N ATOM 1095 CA ASN A 71 0.690 9.903 -0.724 1.00 0.00 C ATOM 1096 C ASN A 71 1.282 9.695 0.679 1.00 0.00 C ATOM 1097 O ASN A 71 2.485 9.483 0.787 1.00 0.00 O ATOM 1098 CB ASN A 71 0.989 11.325 -1.240 1.00 0.00 C ATOM 1099 CG ASN A 71 1.007 11.524 -2.762 1.00 0.00 C ATOM 1100 OD1 ASN A 71 0.137 10.855 -3.500 1.00 0.00 O flip ATOM 1101 ND2 ASN A 71 1.770 12.331 -3.291 1.00 0.00 N flip ATOM 0 H ASN A 71 -1.282 10.564 -0.707 1.00 0.00 H new ATOM 0 HA ASN A 71 1.153 9.176 -1.391 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.246 12.002 -0.819 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.958 11.631 -0.847 1.00 0.00 H new ATOM 0 HD21 ASN A 71 2.441 12.847 -2.722 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.732 12.484 -4.299 1.00 0.00 H new ATOM 1108 N ARG A 72 0.481 9.701 1.758 1.00 0.00 N ATOM 1109 CA ARG A 72 1.025 9.711 3.122 1.00 0.00 C ATOM 1110 C ARG A 72 1.732 8.405 3.437 1.00 0.00 C ATOM 1111 O ARG A 72 2.878 8.409 3.881 1.00 0.00 O ATOM 1112 CB ARG A 72 -0.039 10.028 4.190 1.00 0.00 C ATOM 1113 CG ARG A 72 -0.216 11.538 4.364 1.00 0.00 C ATOM 1114 CD ARG A 72 -1.138 12.102 3.288 1.00 0.00 C ATOM 1115 NE ARG A 72 -0.864 13.519 2.998 1.00 0.00 N ATOM 1116 CZ ARG A 72 -1.248 14.568 3.734 1.00 0.00 C ATOM 1117 NH1 ARG A 72 -2.105 14.434 4.739 1.00 0.00 N ATOM 1118 NH2 ARG A 72 -0.764 15.766 3.441 1.00 0.00 N ATOM 0 H ARG A 72 -0.538 9.699 1.711 1.00 0.00 H new ATOM 0 HA ARG A 72 1.754 10.521 3.156 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.990 9.578 3.904 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.252 9.581 5.141 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.629 11.749 5.350 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.755 12.031 4.313 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.024 11.519 2.374 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.174 11.994 3.608 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.329 13.721 2.153 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.486 13.515 4.965 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.382 15.250 5.285 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.110 15.876 2.666 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.045 16.578 3.991 1.00 0.00 H new ATOM 1132 N LEU A 73 1.067 7.282 3.160 1.00 0.00 N ATOM 1133 CA LEU A 73 1.683 5.972 3.346 1.00 0.00 C ATOM 1134 C LEU A 73 2.904 5.786 2.443 1.00 0.00 C ATOM 1135 O LEU A 73 3.746 4.958 2.762 1.00 0.00 O ATOM 1136 CB LEU A 73 0.682 4.825 3.134 1.00 0.00 C ATOM 1137 CG LEU A 73 0.101 4.749 1.704 1.00 0.00 C ATOM 1138 CD1 LEU A 73 0.127 3.308 1.192 1.00 0.00 C ATOM 1139 CD2 LEU A 73 -1.333 5.279 1.689 1.00 0.00 C ATOM 0 H LEU A 73 0.110 7.255 2.809 1.00 0.00 H new ATOM 0 HA LEU A 73 2.017 5.936 4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.174 3.880 3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.139 4.938 3.842 1.00 0.00 H new ATOM 0 HG LEU A 73 0.716 5.366 1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.286 3.273 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.155 2.946 1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.470 2.677 1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.732 5.221 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.950 4.678 2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.341 6.317 2.023 1.00 0.00 H new ATOM 1151 N CYS A 74 3.019 6.532 1.335 1.00 0.00 N ATOM 1152 CA CYS A 74 4.192 6.492 0.477 1.00 0.00 C ATOM 1153 C CYS A 74 5.375 7.100 1.208 1.00 0.00 C ATOM 1154 O CYS A 74 6.387 6.422 1.322 1.00 0.00 O ATOM 1155 CB CYS A 74 3.958 7.196 -0.861 1.00 0.00 C ATOM 1156 SG CYS A 74 2.516 6.481 -1.702 1.00 0.00 S ATOM 0 H CYS A 74 2.296 7.177 1.016 1.00 0.00 H new ATOM 0 HA CYS A 74 4.404 5.448 0.245 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.801 8.262 -0.697 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.842 7.098 -1.491 1.00 0.00 H new ATOM 0 HG CYS A 74 1.427 6.979 -1.195 1.00 0.00 H new ATOM 1162 N GLU A 75 5.256 8.325 1.724 1.00 0.00 N ATOM 1163 CA GLU A 75 6.364 8.973 2.424 1.00 0.00 C ATOM 1164 C GLU A 75 6.735 8.221 3.708 1.00 0.00 C ATOM 1165 O GLU A 75 7.832 8.425 4.218 1.00 0.00 O ATOM 1166 CB GLU A 75 6.035 10.439 2.764 1.00 0.00 C ATOM 1167 CG GLU A 75 5.788 11.303 1.523 1.00 0.00 C ATOM 1168 CD GLU A 75 5.734 12.797 1.861 1.00 0.00 C ATOM 1169 OE1 GLU A 75 4.718 13.237 2.454 1.00 0.00 O ATOM 1170 OE2 GLU A 75 6.661 13.549 1.478 1.00 0.00 O ATOM 0 H GLU A 75 4.406 8.886 1.670 1.00 0.00 H new ATOM 0 HA GLU A 75 7.217 8.952 1.746 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.151 10.468 3.402 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.857 10.866 3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.579 11.125 0.795 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.850 11.004 1.054 1.00 0.00 H new ATOM 1177 N GLU A 76 5.868 7.352 4.241 1.00 0.00 N ATOM 1178 CA GLU A 76 6.267 6.361 5.236 1.00 0.00 C ATOM 1179 C GLU A 76 7.089 5.262 4.543 1.00 0.00 C ATOM 1180 O GLU A 76 8.298 5.160 4.758 1.00 0.00 O ATOM 1181 CB GLU A 76 5.035 5.834 6.004 1.00 0.00 C ATOM 1182 CG GLU A 76 5.434 4.875 7.142 1.00 0.00 C ATOM 1183 CD GLU A 76 4.277 4.546 8.099 1.00 0.00 C ATOM 1184 OE1 GLU A 76 4.089 5.312 9.074 1.00 0.00 O ATOM 1185 OE2 GLU A 76 3.604 3.507 7.914 1.00 0.00 O ATOM 0 H GLU A 76 4.879 7.319 3.994 1.00 0.00 H new ATOM 0 HA GLU A 76 6.907 6.811 5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.478 6.675 6.417 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.369 5.319 5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.813 3.949 6.710 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.251 5.319 7.711 1.00 0.00 H new ATOM 1192 N MET A 77 6.471 4.426 3.706 1.00 0.00 N ATOM 1193 CA MET A 77 7.095 3.185 3.246 1.00 0.00 C ATOM 1194 C MET A 77 8.273 3.383 2.276 1.00 0.00 C ATOM 1195 O MET A 77 9.074 2.465 2.117 1.00 0.00 O ATOM 1196 CB MET A 77 6.024 2.234 2.700 1.00 0.00 C ATOM 1197 CG MET A 77 5.421 2.702 1.379 1.00 0.00 C ATOM 1198 SD MET A 77 3.829 1.928 0.994 1.00 0.00 S ATOM 1199 CE MET A 77 3.340 2.943 -0.410 1.00 0.00 C ATOM 0 H MET A 77 5.536 4.587 3.332 1.00 0.00 H new ATOM 0 HA MET A 77 7.561 2.723 4.117 1.00 0.00 H new ATOM 0 HB2 MET A 77 6.462 1.245 2.562 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.229 2.130 3.438 1.00 0.00 H new ATOM 0 HG2 MET A 77 5.291 3.784 1.411 1.00 0.00 H new ATOM 0 HG3 MET A 77 6.123 2.489 0.573 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.863 2.316 -1.163 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.639 3.709 -0.078 1.00 0.00 H new ATOM 0 HE3 MET A 77 4.222 3.419 -0.839 1.00 0.00 H new ATOM 1209 N LEU A 78 8.430 4.551 1.643 1.00 0.00 N ATOM 1210 CA LEU A 78 9.654 4.887 0.912 1.00 0.00 C ATOM 1211 C LEU A 78 10.791 5.012 1.920 1.00 0.00 C ATOM 1212 O LEU A 78 11.796 4.305 1.851 1.00 0.00 O ATOM 1213 CB LEU A 78 9.509 6.204 0.107 1.00 0.00 C ATOM 1214 CG LEU A 78 9.829 6.102 -1.394 1.00 0.00 C ATOM 1215 CD1 LEU A 78 9.782 7.492 -2.032 1.00 0.00 C ATOM 1216 CD2 LEU A 78 11.169 5.440 -1.681 1.00 0.00 C ATOM 0 H LEU A 78 7.719 5.282 1.623 1.00 0.00 H new ATOM 0 HA LEU A 78 9.860 4.097 0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.487 6.567 0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.164 6.954 0.550 1.00 0.00 H new ATOM 0 HG LEU A 78 9.066 5.460 -1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.010 7.412 -3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 78 8.786 7.917 -1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.516 8.138 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.332 5.400 -2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.967 6.017 -1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 78 11.169 4.428 -1.277 1.00 0.00 H new ATOM 1228 N ASP A 79 10.603 5.890 2.901 1.00 0.00 N ATOM 1229 CA ASP A 79 11.598 6.196 3.916 1.00 0.00 C ATOM 1230 C ASP A 79 11.964 4.956 4.706 1.00 0.00 C ATOM 1231 O ASP A 79 13.130 4.726 5.014 1.00 0.00 O ATOM 1232 CB ASP A 79 11.058 7.275 4.854 1.00 0.00 C ATOM 1233 CG ASP A 79 11.811 8.579 4.646 1.00 0.00 C ATOM 1234 OD1 ASP A 79 11.546 9.279 3.641 1.00 0.00 O ATOM 1235 OD2 ASP A 79 12.731 8.882 5.435 1.00 0.00 O ATOM 0 H ASP A 79 9.737 6.417 3.012 1.00 0.00 H new ATOM 0 HA ASP A 79 12.498 6.561 3.422 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.995 7.428 4.670 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.159 6.950 5.890 1.00 0.00 H new ATOM 1240 N ASN A 80 10.986 4.092 4.970 1.00 0.00 N ATOM 1241 CA ASN A 80 11.195 2.912 5.791 1.00 0.00 C ATOM 1242 C ASN A 80 12.075 1.896 5.085 1.00 0.00 C ATOM 1243 O ASN A 80 12.523 0.957 5.739 1.00 0.00 O ATOM 1244 CB ASN A 80 9.884 2.247 6.212 1.00 0.00 C ATOM 1245 CG ASN A 80 9.266 2.902 7.426 1.00 0.00 C ATOM 1246 OD1 ASN A 80 9.131 2.276 8.473 1.00 0.00 O ATOM 1247 ND2 ASN A 80 8.863 4.148 7.286 1.00 0.00 N ATOM 0 H ASN A 80 10.033 4.193 4.621 1.00 0.00 H new ATOM 0 HA ASN A 80 11.699 3.261 6.693 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.178 2.287 5.383 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.067 1.194 6.425 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.418 4.631 8.067 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.996 4.630 6.397 1.00 0.00 H new ATOM 1254 N ARG A 81 12.340 2.042 3.780 1.00 0.00 N ATOM 1255 CA ARG A 81 13.284 1.184 3.086 1.00 0.00 C ATOM 1256 C ARG A 81 14.565 1.897 2.723 1.00 0.00 C ATOM 1257 O ARG A 81 15.499 1.230 2.276 1.00 0.00 O ATOM 1258 CB ARG A 81 12.610 0.517 1.916 1.00 0.00 C ATOM 1259 CG ARG A 81 12.579 1.297 0.610 1.00 0.00 C ATOM 1260 CD ARG A 81 13.701 0.954 -0.376 1.00 0.00 C ATOM 1261 NE ARG A 81 13.916 -0.495 -0.573 1.00 0.00 N ATOM 1262 CZ ARG A 81 15.089 -1.105 -0.812 1.00 0.00 C ATOM 1263 NH1 ARG A 81 16.225 -0.436 -1.008 1.00 0.00 N ATOM 1264 NH2 ARG A 81 15.143 -2.429 -0.852 1.00 0.00 N ATOM 0 H ARG A 81 11.907 2.752 3.190 1.00 0.00 H new ATOM 0 HA ARG A 81 13.601 0.397 3.771 1.00 0.00 H new ATOM 0 HB2 ARG A 81 13.110 -0.434 1.732 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.583 0.288 2.200 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.620 1.121 0.122 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.630 2.362 0.839 1.00 0.00 H new ATOM 0 HD2 ARG A 81 13.474 1.410 -1.340 1.00 0.00 H new ATOM 0 HD3 ARG A 81 14.629 1.402 -0.022 1.00 0.00 H new ATOM 0 HE ARG A 81 13.091 -1.092 -0.522 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.228 0.584 -0.980 1.00 0.00 H new ATOM 0 HH12 ARG A 81 17.092 -0.944 -1.186 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.297 -2.979 -0.702 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.031 -2.898 -1.033 1.00 0.00 H new ATOM 1278 N ALA A 82 14.622 3.208 2.930 1.00 0.00 N ATOM 1279 CA ALA A 82 15.819 4.029 2.840 1.00 0.00 C ATOM 1280 C ALA A 82 16.505 4.196 4.205 1.00 0.00 C ATOM 1281 O ALA A 82 17.693 4.500 4.255 1.00 0.00 O ATOM 1282 CB ALA A 82 15.425 5.386 2.255 1.00 0.00 C ATOM 0 H ALA A 82 13.794 3.751 3.177 1.00 0.00 H new ATOM 0 HA ALA A 82 16.544 3.536 2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 82 16.309 6.020 2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.993 5.244 1.264 1.00 0.00 H new ATOM 0 HB3 ALA A 82 14.692 5.863 2.905 1.00 0.00 H new ATOM 1288 N THR A 83 15.816 3.931 5.316 1.00 0.00 N ATOM 1289 CA THR A 83 16.306 4.334 6.636 1.00 0.00 C ATOM 1290 C THR A 83 17.278 3.309 7.236 1.00 0.00 C ATOM 1291 O THR A 83 17.906 3.601 8.254 1.00 0.00 O ATOM 1292 CB THR A 83 15.142 4.747 7.557 1.00 0.00 C ATOM 1293 OG1 THR A 83 15.617 5.393 8.722 1.00 0.00 O ATOM 1294 CG2 THR A 83 14.278 3.578 7.988 1.00 0.00 C ATOM 0 H THR A 83 14.921 3.441 5.329 1.00 0.00 H new ATOM 0 HA THR A 83 16.913 5.232 6.520 1.00 0.00 H new ATOM 0 HB THR A 83 14.533 5.427 6.961 1.00 0.00 H new ATOM 0 HG1 THR A 83 16.492 5.025 8.967 1.00 0.00 H new ATOM 0 HG21 THR A 83 13.477 3.936 8.635 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.848 3.100 7.108 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.887 2.856 8.532 1.00 0.00 H new ATOM 1302 N LEU A 84 17.422 2.122 6.643 1.00 0.00 N ATOM 1303 CA LEU A 84 18.324 1.050 7.024 1.00 0.00 C ATOM 1304 C LEU A 84 19.680 1.190 6.333 1.00 0.00 C ATOM 1305 O LEU A 84 20.523 0.297 6.465 1.00 0.00 O ATOM 1306 CB LEU A 84 17.703 -0.344 6.719 1.00 0.00 C ATOM 1307 CG LEU A 84 16.377 -0.679 7.435 1.00 0.00 C ATOM 1308 CD1 LEU A 84 15.220 0.270 7.154 1.00 0.00 C ATOM 1309 CD2 LEU A 84 15.879 -2.075 7.055 1.00 0.00 C ATOM 0 H LEU A 84 16.867 1.874 5.824 1.00 0.00 H new ATOM 0 HA LEU A 84 18.481 1.128 8.100 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.538 -0.416 5.644 1.00 0.00 H new ATOM 0 HB3 LEU A 84 18.435 -1.108 6.981 1.00 0.00 H new ATOM 0 HG LEU A 84 16.643 -0.594 8.489 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.339 -0.057 7.706 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.492 1.278 7.468 1.00 0.00 H new ATOM 0 HD13 LEU A 84 15.000 0.270 6.086 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.944 -2.282 7.575 1.00 0.00 H new ATOM 0 HD22 LEU A 84 15.714 -2.122 5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 84 16.624 -2.817 7.340 1.00 0.00 H new ATOM 1321 N GLN A 85 19.867 2.248 5.542 1.00 0.00 N ATOM 1322 CA GLN A 85 21.016 2.403 4.660 1.00 0.00 C ATOM 1323 C GLN A 85 21.609 3.806 4.687 1.00 0.00 C ATOM 1324 O GLN A 85 22.050 4.241 5.773 1.00 0.00 O ATOM 1325 CB GLN A 85 20.690 1.829 3.268 1.00 0.00 C ATOM 1326 CG GLN A 85 19.739 2.587 2.325 1.00 0.00 C ATOM 1327 CD GLN A 85 19.158 1.713 1.207 1.00 0.00 C ATOM 1328 OE1 GLN A 85 18.734 0.495 1.516 1.00 0.00 O flip ATOM 1329 NE2 GLN A 85 19.012 2.149 0.071 1.00 0.00 N flip ATOM 0 H GLN A 85 19.213 3.030 5.498 1.00 0.00 H new ATOM 0 HA GLN A 85 21.844 1.804 5.040 1.00 0.00 H new ATOM 0 HB2 GLN A 85 21.635 1.702 2.741 1.00 0.00 H new ATOM 0 HB3 GLN A 85 20.272 0.834 3.418 1.00 0.00 H new ATOM 0 HG2 GLN A 85 18.920 3.007 2.909 1.00 0.00 H new ATOM 0 HG3 GLN A 85 20.275 3.425 1.879 1.00 0.00 H new ATOM 0 HE21 GLN A 85 19.340 3.086 -0.162 1.00 0.00 H new ATOM 0 HE22 GLN A 85 18.563 1.574 -0.642 1.00 0.00 H new TER 1338 GLN A 85