USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 606 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0176 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -3.27! C(o=-3.3!,f=-6.8!) USER MOD Single : A 18 THR OG1 : rot 180:sc=-0.00612 USER MOD Single : A 22 SER OG : rot -142:sc= -2.99! USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0792 USER MOD Single : A 30 GLN : amide:sc= -0.0173 X(o=-0.017,f=0.028) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 175:sc= 0.156 USER MOD Single : A 38 HIS : no HE2:sc= -0.0177 K(o=-0.018,f=-2) USER MOD Single : A 43 SER OG : rot 180:sc= -0.568! USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -144:sc= -2.64 (180deg=-3.8!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0116 USER MOD Single : A 58 ASN : amide:sc= 0.664 K(o=0.66,f=-5.8!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 180:sc= 0.142 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HIS : no HD1:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.203 -2.245 16.914 1.00 0.00 N ATOM 2 CA GLY A 1 -2.402 -2.741 18.264 1.00 0.00 C ATOM 3 C GLY A 1 -3.879 -3.043 18.526 1.00 0.00 C ATOM 4 O GLY A 1 -4.251 -4.195 18.747 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.193 -2.048 16.762 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.523 -2.961 16.231 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.750 -1.371 16.781 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.810 -3.644 18.414 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.045 -2.003 18.983 1.00 0.00 H new ATOM 8 N SER A 2 -4.680 -1.989 18.493 1.00 0.00 N ATOM 9 CA SER A 2 -6.108 -2.127 18.724 1.00 0.00 C ATOM 10 C SER A 2 -6.817 -0.804 18.426 1.00 0.00 C ATOM 11 O SER A 2 -7.704 -0.748 17.575 1.00 0.00 O ATOM 12 CB SER A 2 -6.394 -2.571 20.160 1.00 0.00 C ATOM 13 OG SER A 2 -5.712 -1.760 21.114 1.00 0.00 O ATOM 0 H SER A 2 -4.368 -1.035 18.310 1.00 0.00 H new ATOM 0 HA SER A 2 -6.490 -2.896 18.052 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.467 -2.526 20.347 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.092 -3.611 20.285 1.00 0.00 H new ATOM 0 HG SER A 2 -5.921 -2.073 22.019 1.00 0.00 H new ATOM 18 N SER A 3 -6.398 0.229 19.143 1.00 0.00 N ATOM 19 CA SER A 3 -6.981 1.549 18.966 1.00 0.00 C ATOM 20 C SER A 3 -7.133 1.858 17.475 1.00 0.00 C ATOM 21 O SER A 3 -6.396 1.322 16.648 1.00 0.00 O ATOM 22 CB SER A 3 -6.131 2.623 19.648 1.00 0.00 C ATOM 23 OG SER A 3 -6.820 3.242 20.730 1.00 0.00 O ATOM 0 H SER A 3 -5.662 0.179 19.847 1.00 0.00 H new ATOM 0 HA SER A 3 -7.966 1.554 19.433 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.207 2.175 20.015 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.849 3.381 18.917 1.00 0.00 H new ATOM 0 HG SER A 3 -6.243 3.920 21.140 1.00 0.00 H new ATOM 28 N GLY A 4 -8.092 2.723 17.177 1.00 0.00 N ATOM 29 CA GLY A 4 -8.349 3.110 15.800 1.00 0.00 C ATOM 30 C GLY A 4 -8.546 4.623 15.685 1.00 0.00 C ATOM 31 O GLY A 4 -7.966 5.388 16.454 1.00 0.00 O ATOM 0 H GLY A 4 -8.700 3.167 17.865 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.516 2.799 15.169 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.237 2.595 15.433 1.00 0.00 H new ATOM 35 N SER A 5 -9.364 5.008 14.717 1.00 0.00 N ATOM 36 CA SER A 5 -9.645 6.416 14.490 1.00 0.00 C ATOM 37 C SER A 5 -10.980 6.573 13.760 1.00 0.00 C ATOM 38 O SER A 5 -11.529 5.598 13.248 1.00 0.00 O ATOM 39 CB SER A 5 -8.521 7.079 13.691 1.00 0.00 C ATOM 40 OG SER A 5 -7.774 7.999 14.482 1.00 0.00 O ATOM 0 H SER A 5 -9.842 4.370 14.081 1.00 0.00 H new ATOM 0 HA SER A 5 -9.708 6.913 15.458 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.853 6.312 13.300 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.945 7.600 12.833 1.00 0.00 H new ATOM 0 HG SER A 5 -7.065 8.399 13.936 1.00 0.00 H new ATOM 45 N SER A 6 -11.463 7.806 13.736 1.00 0.00 N ATOM 46 CA SER A 6 -12.724 8.103 13.077 1.00 0.00 C ATOM 47 C SER A 6 -12.576 9.349 12.202 1.00 0.00 C ATOM 48 O SER A 6 -11.990 10.344 12.626 1.00 0.00 O ATOM 49 CB SER A 6 -13.846 8.301 14.098 1.00 0.00 C ATOM 50 OG SER A 6 -13.563 9.364 15.003 1.00 0.00 O ATOM 0 H SER A 6 -11.004 8.611 14.162 1.00 0.00 H new ATOM 0 HA SER A 6 -12.989 7.254 12.447 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.779 8.509 13.575 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.993 7.378 14.658 1.00 0.00 H new ATOM 0 HG SER A 6 -14.304 9.459 15.637 1.00 0.00 H new ATOM 55 N GLY A 7 -13.118 9.254 10.997 1.00 0.00 N ATOM 56 CA GLY A 7 -13.054 10.362 10.058 1.00 0.00 C ATOM 57 C GLY A 7 -13.556 11.656 10.702 1.00 0.00 C ATOM 58 O GLY A 7 -14.674 11.706 11.213 1.00 0.00 O ATOM 0 H GLY A 7 -13.603 8.427 10.649 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.027 10.496 9.717 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.655 10.133 9.178 1.00 0.00 H new ATOM 62 N THR A 8 -12.706 12.671 10.657 1.00 0.00 N ATOM 63 CA THR A 8 -13.050 13.961 11.230 1.00 0.00 C ATOM 64 C THR A 8 -14.079 14.677 10.352 1.00 0.00 C ATOM 65 O THR A 8 -14.380 14.226 9.248 1.00 0.00 O ATOM 66 CB THR A 8 -11.755 14.755 11.419 1.00 0.00 C ATOM 67 OG1 THR A 8 -11.047 14.028 12.419 1.00 0.00 O ATOM 68 CG2 THR A 8 -11.996 16.126 12.054 1.00 0.00 C ATOM 0 H THR A 8 -11.780 12.626 10.233 1.00 0.00 H new ATOM 0 HA THR A 8 -13.524 13.847 12.205 1.00 0.00 H new ATOM 0 HB THR A 8 -11.263 14.884 10.455 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.193 14.472 12.603 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.045 16.647 12.166 1.00 0.00 H new ATOM 0 HG22 THR A 8 -12.658 16.711 11.416 1.00 0.00 H new ATOM 0 HG23 THR A 8 -12.456 15.997 13.034 1.00 0.00 H new ATOM 76 N CYS A 9 -14.589 15.783 10.875 1.00 0.00 N ATOM 77 CA CYS A 9 -15.577 16.565 10.152 1.00 0.00 C ATOM 78 C CYS A 9 -14.908 17.153 8.908 1.00 0.00 C ATOM 79 O CYS A 9 -13.983 17.956 9.017 1.00 0.00 O ATOM 80 CB CYS A 9 -16.194 17.652 11.036 1.00 0.00 C ATOM 81 SG CYS A 9 -18.016 17.631 10.874 1.00 0.00 S ATOM 0 H CYS A 9 -14.336 16.156 11.790 1.00 0.00 H new ATOM 0 HA CYS A 9 -16.403 15.922 9.849 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -15.911 17.490 12.076 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -15.806 18.629 10.749 1.00 0.00 H new ATOM 0 HG CYS A 9 -18.530 18.556 11.630 1.00 0.00 H new ATOM 86 N VAL A 10 -15.403 16.730 7.754 1.00 0.00 N ATOM 87 CA VAL A 10 -14.864 17.203 6.490 1.00 0.00 C ATOM 88 C VAL A 10 -15.993 17.290 5.461 1.00 0.00 C ATOM 89 O VAL A 10 -17.118 16.873 5.732 1.00 0.00 O ATOM 90 CB VAL A 10 -13.713 16.302 6.041 1.00 0.00 C ATOM 91 CG1 VAL A 10 -12.485 16.494 6.933 1.00 0.00 C ATOM 92 CG2 VAL A 10 -14.145 14.834 6.012 1.00 0.00 C ATOM 0 H VAL A 10 -16.172 16.065 7.668 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.448 18.204 6.603 1.00 0.00 H new ATOM 0 HB VAL A 10 -13.438 16.591 5.027 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.682 15.841 6.591 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.156 17.532 6.881 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -12.741 16.246 7.963 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.308 14.215 5.689 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.460 14.528 7.010 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -14.975 14.713 5.316 1.00 0.00 H new ATOM 102 N PHE A 11 -15.653 17.834 4.301 1.00 0.00 N ATOM 103 CA PHE A 11 -16.624 17.980 3.231 1.00 0.00 C ATOM 104 C PHE A 11 -17.075 16.614 2.709 1.00 0.00 C ATOM 105 O PHE A 11 -16.383 15.615 2.896 1.00 0.00 O ATOM 106 CB PHE A 11 -15.929 18.741 2.098 1.00 0.00 C ATOM 107 CG PHE A 11 -16.017 20.263 2.226 1.00 0.00 C ATOM 108 CD1 PHE A 11 -15.617 20.874 3.373 1.00 0.00 C ATOM 109 CD2 PHE A 11 -16.494 21.005 1.191 1.00 0.00 C ATOM 110 CE1 PHE A 11 -15.699 22.287 3.491 1.00 0.00 C ATOM 111 CE2 PHE A 11 -16.576 22.417 1.309 1.00 0.00 C ATOM 112 CZ PHE A 11 -16.177 23.028 2.456 1.00 0.00 C ATOM 0 H PHE A 11 -14.719 18.179 4.080 1.00 0.00 H new ATOM 0 HA PHE A 11 -17.505 18.508 3.597 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.879 18.449 2.068 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -16.370 18.440 1.148 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -15.237 20.285 4.194 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.810 20.520 0.279 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -15.382 22.773 4.402 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -16.955 23.006 0.487 1.00 0.00 H new ATOM 0 HZ PHE A 11 -16.240 24.102 2.545 1.00 0.00 H new ATOM 121 N GLU A 12 -18.234 16.616 2.066 1.00 0.00 N ATOM 122 CA GLU A 12 -18.786 15.389 1.517 1.00 0.00 C ATOM 123 C GLU A 12 -18.028 14.987 0.250 1.00 0.00 C ATOM 124 O GLU A 12 -18.436 15.332 -0.857 1.00 0.00 O ATOM 125 CB GLU A 12 -20.282 15.540 1.236 1.00 0.00 C ATOM 126 CG GLU A 12 -21.027 14.233 1.516 1.00 0.00 C ATOM 127 CD GLU A 12 -22.536 14.468 1.602 1.00 0.00 C ATOM 128 OE1 GLU A 12 -22.990 14.850 2.703 1.00 0.00 O ATOM 129 OE2 GLU A 12 -23.202 14.262 0.565 1.00 0.00 O ATOM 0 H GLU A 12 -18.805 17.447 1.913 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.666 14.596 2.256 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -20.693 16.337 1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -20.433 15.833 0.197 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -20.812 13.512 0.727 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -20.669 13.800 2.450 1.00 0.00 H new ATOM 134 N LYS A 13 -16.939 14.261 0.456 1.00 0.00 N ATOM 135 CA LYS A 13 -16.121 13.808 -0.655 1.00 0.00 C ATOM 136 C LYS A 13 -15.918 12.295 -0.550 1.00 0.00 C ATOM 137 O LYS A 13 -16.360 11.672 0.413 1.00 0.00 O ATOM 138 CB LYS A 13 -14.813 14.601 -0.717 1.00 0.00 C ATOM 139 CG LYS A 13 -15.066 16.041 -1.168 1.00 0.00 C ATOM 140 CD LYS A 13 -14.425 16.309 -2.531 1.00 0.00 C ATOM 141 CE LYS A 13 -15.422 16.970 -3.485 1.00 0.00 C ATOM 142 NZ LYS A 13 -14.774 18.076 -4.227 1.00 0.00 N ATOM 0 H LYS A 13 -16.604 13.975 1.376 1.00 0.00 H new ATOM 0 HA LYS A 13 -16.627 13.998 -1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -14.337 14.602 0.264 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.122 14.116 -1.407 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.139 16.225 -1.224 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -14.662 16.734 -0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.554 16.952 -2.407 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.071 15.372 -2.961 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.808 16.231 -4.187 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.274 17.352 -2.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.464 18.514 -4.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.427 18.789 -3.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.975 17.703 -4.779 1.00 0.00 H new ATOM 152 N GLU A 14 -15.249 11.748 -1.554 1.00 0.00 N ATOM 153 CA GLU A 14 -14.982 10.320 -1.586 1.00 0.00 C ATOM 154 C GLU A 14 -13.656 10.044 -2.298 1.00 0.00 C ATOM 155 O GLU A 14 -13.641 9.516 -3.408 1.00 0.00 O ATOM 156 CB GLU A 14 -16.131 9.563 -2.256 1.00 0.00 C ATOM 157 CG GLU A 14 -16.737 8.532 -1.302 1.00 0.00 C ATOM 158 CD GLU A 14 -18.260 8.484 -1.442 1.00 0.00 C ATOM 159 OE1 GLU A 14 -18.729 8.617 -2.593 1.00 0.00 O ATOM 160 OE2 GLU A 14 -18.920 8.317 -0.394 1.00 0.00 O ATOM 0 H GLU A 14 -14.884 12.268 -2.352 1.00 0.00 H new ATOM 0 HA GLU A 14 -14.903 9.962 -0.560 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -16.900 10.268 -2.572 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -15.768 9.064 -3.154 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -16.318 7.548 -1.511 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -16.470 8.781 -0.275 1.00 0.00 H new ATOM 165 N ASN A 15 -12.574 10.414 -1.628 1.00 0.00 N ATOM 166 CA ASN A 15 -11.246 10.213 -2.181 1.00 0.00 C ATOM 167 C ASN A 15 -10.388 9.447 -1.172 1.00 0.00 C ATOM 168 O ASN A 15 -10.019 8.298 -1.411 1.00 0.00 O ATOM 169 CB ASN A 15 -10.559 11.550 -2.466 1.00 0.00 C ATOM 170 CG ASN A 15 -11.038 12.631 -1.495 1.00 0.00 C ATOM 171 OD1 ASN A 15 -12.219 12.915 -1.375 1.00 0.00 O ATOM 172 ND2 ASN A 15 -10.060 13.215 -0.810 1.00 0.00 N ATOM 0 H ASN A 15 -12.591 10.852 -0.707 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.350 9.655 -3.112 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -9.479 11.433 -2.381 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -10.767 11.859 -3.491 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -10.277 13.949 -0.135 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -9.092 12.929 -0.959 1.00 0.00 H new ATOM 178 N ASP A 16 -10.096 10.115 -0.065 1.00 0.00 N ATOM 179 CA ASP A 16 -9.289 9.511 0.981 1.00 0.00 C ATOM 180 C ASP A 16 -7.920 9.134 0.411 1.00 0.00 C ATOM 181 O ASP A 16 -7.804 8.173 -0.350 1.00 0.00 O ATOM 182 CB ASP A 16 -9.945 8.237 1.518 1.00 0.00 C ATOM 183 CG ASP A 16 -11.434 8.363 1.842 1.00 0.00 C ATOM 184 OD1 ASP A 16 -12.235 8.232 0.890 1.00 0.00 O ATOM 185 OD2 ASP A 16 -11.740 8.589 3.032 1.00 0.00 O ATOM 0 H ASP A 16 -10.404 11.068 0.130 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.191 10.235 1.790 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.815 7.442 0.784 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.417 7.927 2.420 1.00 0.00 H new ATOM 189 N PRO A 17 -6.892 9.930 0.808 1.00 0.00 N ATOM 190 CA PRO A 17 -5.536 9.689 0.345 1.00 0.00 C ATOM 191 C PRO A 17 -4.920 8.481 1.054 1.00 0.00 C ATOM 192 O PRO A 17 -3.796 8.085 0.750 1.00 0.00 O ATOM 193 CB PRO A 17 -4.790 10.984 0.621 1.00 0.00 C ATOM 194 CG PRO A 17 -5.623 11.735 1.646 1.00 0.00 C ATOM 195 CD PRO A 17 -6.993 11.076 1.707 1.00 0.00 C ATOM 0 HA PRO A 17 -5.492 9.438 -0.715 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.789 10.784 1.002 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.673 11.569 -0.291 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.142 11.707 2.624 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.716 12.785 1.367 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.237 10.763 2.722 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.777 11.762 1.388 1.00 0.00 H new ATOM 200 N THR A 18 -5.684 7.929 1.985 1.00 0.00 N ATOM 201 CA THR A 18 -5.228 6.775 2.739 1.00 0.00 C ATOM 202 C THR A 18 -5.985 5.519 2.302 1.00 0.00 C ATOM 203 O THR A 18 -6.533 4.798 3.135 1.00 0.00 O ATOM 204 CB THR A 18 -5.383 7.091 4.229 1.00 0.00 C ATOM 205 OG1 THR A 18 -6.790 7.230 4.408 1.00 0.00 O ATOM 206 CG2 THR A 18 -4.823 8.466 4.596 1.00 0.00 C ATOM 0 H THR A 18 -6.616 8.260 2.234 1.00 0.00 H new ATOM 0 HA THR A 18 -4.176 6.566 2.544 1.00 0.00 H new ATOM 0 HB THR A 18 -4.879 6.325 4.818 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.982 7.434 5.347 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.958 8.641 5.663 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.761 8.503 4.354 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.351 9.236 4.033 1.00 0.00 H new ATOM 214 N VAL A 19 -5.991 5.295 0.996 1.00 0.00 N ATOM 215 CA VAL A 19 -6.672 4.138 0.439 1.00 0.00 C ATOM 216 C VAL A 19 -5.776 3.484 -0.614 1.00 0.00 C ATOM 217 O VAL A 19 -5.561 4.045 -1.687 1.00 0.00 O ATOM 218 CB VAL A 19 -8.039 4.551 -0.111 1.00 0.00 C ATOM 219 CG1 VAL A 19 -7.898 5.242 -1.469 1.00 0.00 C ATOM 220 CG2 VAL A 19 -8.979 3.347 -0.204 1.00 0.00 C ATOM 0 H VAL A 19 -5.536 5.894 0.308 1.00 0.00 H new ATOM 0 HA VAL A 19 -6.860 3.394 1.213 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.478 5.266 0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.884 5.525 -1.837 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.281 6.134 -1.361 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.428 4.560 -2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.943 3.668 -0.598 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.547 2.598 -0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.117 2.916 0.788 1.00 0.00 H new ATOM 230 N LEU A 20 -5.279 2.304 -0.272 1.00 0.00 N ATOM 231 CA LEU A 20 -4.411 1.567 -1.174 1.00 0.00 C ATOM 232 C LEU A 20 -5.268 0.758 -2.150 1.00 0.00 C ATOM 233 O LEU A 20 -5.687 -0.356 -1.838 1.00 0.00 O ATOM 234 CB LEU A 20 -3.412 0.720 -0.385 1.00 0.00 C ATOM 235 CG LEU A 20 -2.341 1.492 0.388 1.00 0.00 C ATOM 236 CD1 LEU A 20 -2.006 0.795 1.707 1.00 0.00 C ATOM 237 CD2 LEU A 20 -1.097 1.715 -0.475 1.00 0.00 C ATOM 0 H LEU A 20 -5.461 1.840 0.618 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.809 2.254 -1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.967 0.103 0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.914 0.042 -1.078 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.741 2.475 0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.242 1.365 2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.903 0.731 2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.634 -0.209 1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.351 2.266 0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.685 0.752 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.368 2.287 -1.363 1.00 0.00 H new ATOM 248 N ARG A 21 -5.503 1.349 -3.313 1.00 0.00 N ATOM 249 CA ARG A 21 -6.303 0.697 -4.336 1.00 0.00 C ATOM 250 C ARG A 21 -5.402 -0.083 -5.296 1.00 0.00 C ATOM 251 O ARG A 21 -4.205 0.187 -5.388 1.00 0.00 O ATOM 252 CB ARG A 21 -7.120 1.717 -5.130 1.00 0.00 C ATOM 253 CG ARG A 21 -8.460 1.998 -4.447 1.00 0.00 C ATOM 254 CD ARG A 21 -9.612 1.925 -5.450 1.00 0.00 C ATOM 255 NE ARG A 21 -10.900 2.161 -4.760 1.00 0.00 N ATOM 256 CZ ARG A 21 -12.078 2.279 -5.387 1.00 0.00 C ATOM 257 NH1 ARG A 21 -12.139 2.185 -6.722 1.00 0.00 N ATOM 258 NH2 ARG A 21 -13.196 2.493 -4.679 1.00 0.00 N ATOM 0 H ARG A 21 -5.153 2.272 -3.569 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.987 0.012 -3.836 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.556 2.644 -5.226 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.294 1.343 -6.139 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.623 1.276 -3.647 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.437 2.985 -3.985 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.469 2.668 -6.235 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.623 0.948 -5.934 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.890 2.239 -3.743 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.288 2.024 -7.261 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.036 2.275 -7.199 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.150 2.566 -3.663 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.093 2.583 -5.157 1.00 0.00 H new ATOM 269 N SER A 22 -6.011 -1.036 -5.986 1.00 0.00 N ATOM 270 CA SER A 22 -5.279 -1.857 -6.936 1.00 0.00 C ATOM 271 C SER A 22 -5.159 -1.127 -8.274 1.00 0.00 C ATOM 272 O SER A 22 -6.165 -0.807 -8.905 1.00 0.00 O ATOM 273 CB SER A 22 -5.960 -3.213 -7.130 1.00 0.00 C ATOM 274 OG SER A 22 -5.317 -3.994 -8.135 1.00 0.00 O ATOM 0 H SER A 22 -7.003 -1.258 -5.906 1.00 0.00 H new ATOM 0 HA SER A 22 -4.281 -2.036 -6.536 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.955 -3.760 -6.187 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.004 -3.059 -7.403 1.00 0.00 H new ATOM 0 HG SER A 22 -5.992 -4.482 -8.652 1.00 0.00 H new ATOM 279 N PRO A 23 -3.884 -0.878 -8.681 1.00 0.00 N ATOM 280 CA PRO A 23 -3.619 -0.191 -9.933 1.00 0.00 C ATOM 281 C PRO A 23 -3.855 -1.118 -11.127 1.00 0.00 C ATOM 282 O PRO A 23 -3.911 -0.664 -12.269 1.00 0.00 O ATOM 283 CB PRO A 23 -2.179 0.283 -9.825 1.00 0.00 C ATOM 284 CG PRO A 23 -1.548 -0.551 -8.721 1.00 0.00 C ATOM 285 CD PRO A 23 -2.668 -1.241 -7.961 1.00 0.00 C ATOM 0 HA PRO A 23 -4.290 0.652 -10.101 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.651 0.146 -10.769 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -2.134 1.346 -9.586 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -0.863 -1.287 -9.142 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.965 0.081 -8.051 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.527 -2.322 -7.943 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.707 -0.907 -6.924 1.00 0.00 H new ATOM 290 N SER A 24 -3.986 -2.402 -10.823 1.00 0.00 N ATOM 291 CA SER A 24 -4.215 -3.396 -11.857 1.00 0.00 C ATOM 292 C SER A 24 -4.614 -4.729 -11.221 1.00 0.00 C ATOM 293 O SER A 24 -4.157 -5.062 -10.129 1.00 0.00 O ATOM 294 CB SER A 24 -2.972 -3.577 -12.731 1.00 0.00 C ATOM 295 OG SER A 24 -3.302 -3.686 -14.112 1.00 0.00 O ATOM 0 H SER A 24 -3.938 -2.776 -9.875 1.00 0.00 H new ATOM 0 HA SER A 24 -5.027 -3.046 -12.494 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.300 -2.732 -12.585 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.434 -4.471 -12.415 1.00 0.00 H new ATOM 0 HG SER A 24 -2.482 -3.799 -14.636 1.00 0.00 H new ATOM 300 N ALA A 25 -5.465 -5.455 -11.932 1.00 0.00 N ATOM 301 CA ALA A 25 -5.933 -6.744 -11.450 1.00 0.00 C ATOM 302 C ALA A 25 -4.732 -7.662 -11.214 1.00 0.00 C ATOM 303 O ALA A 25 -3.642 -7.408 -11.725 1.00 0.00 O ATOM 304 CB ALA A 25 -6.929 -7.332 -12.452 1.00 0.00 C ATOM 0 H ALA A 25 -5.842 -5.175 -12.837 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.454 -6.633 -10.499 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.280 -8.299 -12.091 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.777 -6.656 -12.562 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.440 -7.461 -13.418 1.00 0.00 H new ATOM 310 N GLY A 26 -4.972 -8.710 -10.440 1.00 0.00 N ATOM 311 CA GLY A 26 -3.923 -9.667 -10.131 1.00 0.00 C ATOM 312 C GLY A 26 -4.384 -10.659 -9.061 1.00 0.00 C ATOM 313 O GLY A 26 -5.525 -11.117 -9.083 1.00 0.00 O ATOM 0 H GLY A 26 -5.877 -8.918 -10.018 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.640 -10.207 -11.035 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.035 -9.139 -9.784 1.00 0.00 H new ATOM 317 N LYS A 27 -3.472 -10.961 -8.148 1.00 0.00 N ATOM 318 CA LYS A 27 -3.772 -11.889 -7.070 1.00 0.00 C ATOM 319 C LYS A 27 -2.841 -11.608 -5.888 1.00 0.00 C ATOM 320 O LYS A 27 -1.622 -11.701 -6.017 1.00 0.00 O ATOM 321 CB LYS A 27 -3.708 -13.332 -7.575 1.00 0.00 C ATOM 322 CG LYS A 27 -4.889 -14.150 -7.048 1.00 0.00 C ATOM 323 CD LYS A 27 -5.102 -15.411 -7.890 1.00 0.00 C ATOM 324 CE LYS A 27 -6.505 -15.432 -8.499 1.00 0.00 C ATOM 325 NZ LYS A 27 -6.535 -16.297 -9.699 1.00 0.00 N ATOM 0 H LYS A 27 -2.526 -10.580 -8.132 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.792 -11.745 -6.714 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.713 -13.340 -8.665 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.772 -13.791 -7.257 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.709 -14.428 -6.010 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.793 -13.541 -7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.356 -15.453 -8.684 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.957 -16.296 -7.270 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.222 -15.796 -7.763 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.808 -14.419 -8.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.494 -16.301 -10.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.865 -15.933 -10.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.267 -17.266 -9.435 1.00 0.00 H new ATOM 335 N LEU A 28 -3.454 -11.273 -4.762 1.00 0.00 N ATOM 336 CA LEU A 28 -2.696 -10.978 -3.558 1.00 0.00 C ATOM 337 C LEU A 28 -1.945 -12.234 -3.113 1.00 0.00 C ATOM 338 O LEU A 28 -2.358 -13.351 -3.423 1.00 0.00 O ATOM 339 CB LEU A 28 -3.611 -10.393 -2.479 1.00 0.00 C ATOM 340 CG LEU A 28 -2.909 -9.718 -1.300 1.00 0.00 C ATOM 341 CD1 LEU A 28 -1.926 -8.650 -1.784 1.00 0.00 C ATOM 342 CD2 LEU A 28 -3.926 -9.153 -0.306 1.00 0.00 C ATOM 0 H LEU A 28 -4.466 -11.199 -4.658 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.946 -10.212 -3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.273 -9.665 -2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.241 -11.194 -2.091 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.328 -10.474 -0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.441 -8.186 -0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.172 -9.112 -2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.464 -7.890 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.400 -8.679 0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.554 -8.416 -0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.550 -9.961 0.075 1.00 0.00 H new ATOM 353 N THR A 29 -0.856 -12.010 -2.393 1.00 0.00 N ATOM 354 CA THR A 29 -0.043 -13.111 -1.902 1.00 0.00 C ATOM 355 C THR A 29 0.354 -12.871 -0.445 1.00 0.00 C ATOM 356 O THR A 29 -0.112 -13.571 0.454 1.00 0.00 O ATOM 357 CB THR A 29 1.154 -13.270 -2.841 1.00 0.00 C ATOM 358 OG1 THR A 29 1.531 -11.932 -3.152 1.00 0.00 O ATOM 359 CG2 THR A 29 0.763 -13.871 -4.193 1.00 0.00 C ATOM 0 H THR A 29 -0.517 -11.083 -2.137 1.00 0.00 H new ATOM 0 HA THR A 29 -0.601 -14.047 -1.904 1.00 0.00 H new ATOM 0 HB THR A 29 1.905 -13.902 -2.367 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.303 -11.942 -3.756 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.649 -13.962 -4.821 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.324 -14.857 -4.040 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.037 -13.223 -4.683 1.00 0.00 H new ATOM 367 N GLN A 30 1.212 -11.879 -0.255 1.00 0.00 N ATOM 368 CA GLN A 30 1.678 -11.537 1.079 1.00 0.00 C ATOM 369 C GLN A 30 2.293 -10.137 1.084 1.00 0.00 C ATOM 370 O GLN A 30 2.270 -9.442 0.070 1.00 0.00 O ATOM 371 CB GLN A 30 2.677 -12.576 1.592 1.00 0.00 C ATOM 372 CG GLN A 30 3.919 -12.630 0.702 1.00 0.00 C ATOM 373 CD GLN A 30 5.109 -13.227 1.455 1.00 0.00 C ATOM 374 OE1 GLN A 30 5.533 -12.735 2.489 1.00 0.00 O ATOM 375 NE2 GLN A 30 5.625 -14.310 0.882 1.00 0.00 N ATOM 0 H GLN A 30 1.597 -11.301 -1.002 1.00 0.00 H new ATOM 0 HA GLN A 30 0.822 -11.538 1.754 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.968 -12.332 2.614 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.203 -13.557 1.621 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.709 -13.227 -0.185 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.168 -11.626 0.359 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.222 -14.670 0.017 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.423 -14.781 1.308 1.00 0.00 H new ATOM 382 N TYR A 31 2.826 -9.763 2.238 1.00 0.00 N ATOM 383 CA TYR A 31 3.447 -8.458 2.389 1.00 0.00 C ATOM 384 C TYR A 31 4.961 -8.586 2.565 1.00 0.00 C ATOM 385 O TYR A 31 5.481 -9.692 2.710 1.00 0.00 O ATOM 386 CB TYR A 31 2.846 -7.850 3.657 1.00 0.00 C ATOM 387 CG TYR A 31 2.741 -8.830 4.828 1.00 0.00 C ATOM 388 CD1 TYR A 31 3.849 -9.097 5.606 1.00 0.00 C ATOM 389 CD2 TYR A 31 1.539 -9.448 5.105 1.00 0.00 C ATOM 390 CE1 TYR A 31 3.750 -10.019 6.707 1.00 0.00 C ATOM 391 CE2 TYR A 31 1.440 -10.371 6.206 1.00 0.00 C ATOM 392 CZ TYR A 31 2.551 -10.611 6.953 1.00 0.00 C ATOM 393 OH TYR A 31 2.458 -11.482 7.993 1.00 0.00 O ATOM 0 H TYR A 31 2.841 -10.342 3.078 1.00 0.00 H new ATOM 0 HA TYR A 31 3.269 -7.844 1.506 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.454 -6.998 3.963 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.852 -7.466 3.428 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.790 -8.614 5.389 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.672 -9.239 4.496 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.609 -10.236 7.324 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.505 -10.861 6.433 1.00 0.00 H new ATOM 0 HH TYR A 31 1.542 -11.827 8.050 1.00 0.00 H new ATOM 402 N THR A 32 5.625 -7.441 2.548 1.00 0.00 N ATOM 403 CA THR A 32 7.069 -7.411 2.706 1.00 0.00 C ATOM 404 C THR A 32 7.455 -6.584 3.934 1.00 0.00 C ATOM 405 O THR A 32 8.637 -6.337 4.175 1.00 0.00 O ATOM 406 CB THR A 32 7.676 -6.885 1.404 1.00 0.00 C ATOM 407 OG1 THR A 32 7.414 -5.485 1.440 1.00 0.00 O ATOM 408 CG2 THR A 32 6.921 -7.373 0.166 1.00 0.00 C ATOM 0 H THR A 32 5.190 -6.526 2.427 1.00 0.00 H new ATOM 0 HA THR A 32 7.467 -8.409 2.888 1.00 0.00 H new ATOM 0 HB THR A 32 8.719 -7.195 1.339 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.843 -5.052 0.672 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.393 -6.971 -0.730 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.945 -8.462 0.131 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.886 -7.034 0.214 1.00 0.00 H new ATOM 416 N VAL A 33 6.438 -6.179 4.678 1.00 0.00 N ATOM 417 CA VAL A 33 6.656 -5.385 5.876 1.00 0.00 C ATOM 418 C VAL A 33 6.024 -6.096 7.075 1.00 0.00 C ATOM 419 O VAL A 33 5.260 -7.045 6.907 1.00 0.00 O ATOM 420 CB VAL A 33 6.117 -3.968 5.669 1.00 0.00 C ATOM 421 CG1 VAL A 33 6.524 -3.422 4.299 1.00 0.00 C ATOM 422 CG2 VAL A 33 4.598 -3.927 5.847 1.00 0.00 C ATOM 0 H VAL A 33 5.460 -6.385 4.475 1.00 0.00 H new ATOM 0 HA VAL A 33 7.722 -5.286 6.081 1.00 0.00 H new ATOM 0 HB VAL A 33 6.560 -3.326 6.431 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.128 -2.414 4.177 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.611 -3.397 4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.123 -4.066 3.517 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.241 -2.908 5.694 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.128 -4.589 5.119 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.341 -4.255 6.854 1.00 0.00 H new ATOM 432 N GLU A 34 6.365 -5.608 8.259 1.00 0.00 N ATOM 433 CA GLU A 34 5.842 -6.183 9.486 1.00 0.00 C ATOM 434 C GLU A 34 4.631 -5.385 9.972 1.00 0.00 C ATOM 435 O GLU A 34 4.234 -4.406 9.341 1.00 0.00 O ATOM 436 CB GLU A 34 6.923 -6.251 10.565 1.00 0.00 C ATOM 437 CG GLU A 34 7.552 -7.645 10.624 1.00 0.00 C ATOM 438 CD GLU A 34 7.324 -8.291 11.992 1.00 0.00 C ATOM 439 OE1 GLU A 34 6.175 -8.202 12.477 1.00 0.00 O ATOM 440 OE2 GLU A 34 8.303 -8.859 12.523 1.00 0.00 O ATOM 0 H GLU A 34 6.998 -4.820 8.394 1.00 0.00 H new ATOM 0 HA GLU A 34 5.520 -7.203 9.277 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.694 -5.509 10.360 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.491 -6.002 11.534 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.123 -8.275 9.844 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.621 -7.574 10.425 1.00 0.00 H new ATOM 445 N ASP A 35 4.077 -5.832 11.089 1.00 0.00 N ATOM 446 CA ASP A 35 2.920 -5.171 11.668 1.00 0.00 C ATOM 447 C ASP A 35 3.115 -3.655 11.598 1.00 0.00 C ATOM 448 O ASP A 35 4.169 -3.145 11.972 1.00 0.00 O ATOM 449 CB ASP A 35 2.742 -5.558 13.138 1.00 0.00 C ATOM 450 CG ASP A 35 1.396 -6.202 13.478 1.00 0.00 C ATOM 451 OD1 ASP A 35 0.922 -7.001 12.643 1.00 0.00 O ATOM 452 OD2 ASP A 35 0.873 -5.879 14.567 1.00 0.00 O ATOM 0 H ASP A 35 4.408 -6.645 11.609 1.00 0.00 H new ATOM 0 HA ASP A 35 2.039 -5.480 11.105 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.539 -6.248 13.416 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.866 -4.665 13.751 1.00 0.00 H new ATOM 456 N GLY A 36 2.082 -2.979 11.118 1.00 0.00 N ATOM 457 CA GLY A 36 2.128 -1.532 10.994 1.00 0.00 C ATOM 458 C GLY A 36 3.466 -1.073 10.413 1.00 0.00 C ATOM 459 O GLY A 36 4.025 -0.068 10.849 1.00 0.00 O ATOM 0 H GLY A 36 1.208 -3.406 10.810 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.314 -1.192 10.354 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.976 -1.075 11.972 1.00 0.00 H new ATOM 463 N GLY A 37 3.942 -1.831 9.435 1.00 0.00 N ATOM 464 CA GLY A 37 5.205 -1.514 8.789 1.00 0.00 C ATOM 465 C GLY A 37 5.144 -0.145 8.109 1.00 0.00 C ATOM 466 O GLY A 37 4.122 0.219 7.530 1.00 0.00 O ATOM 0 H GLY A 37 3.476 -2.664 9.075 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.007 -1.522 9.527 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.443 -2.280 8.051 1.00 0.00 H new ATOM 470 N HIS A 38 6.252 0.575 8.201 1.00 0.00 N ATOM 471 CA HIS A 38 6.338 1.895 7.600 1.00 0.00 C ATOM 472 C HIS A 38 7.294 1.855 6.406 1.00 0.00 C ATOM 473 O HIS A 38 8.334 1.201 6.462 1.00 0.00 O ATOM 474 CB HIS A 38 6.736 2.941 8.644 1.00 0.00 C ATOM 475 CG HIS A 38 7.363 4.184 8.059 1.00 0.00 C ATOM 476 ND1 HIS A 38 6.617 5.259 7.607 1.00 0.00 N ATOM 477 CD2 HIS A 38 8.672 4.512 7.857 1.00 0.00 C ATOM 478 CE1 HIS A 38 7.449 6.186 7.156 1.00 0.00 C ATOM 479 NE2 HIS A 38 8.722 5.721 7.311 1.00 0.00 N ATOM 0 H HIS A 38 7.098 0.269 8.683 1.00 0.00 H new ATOM 0 HA HIS A 38 5.359 2.193 7.226 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.851 3.226 9.213 1.00 0.00 H new ATOM 0 HB3 HIS A 38 7.436 2.490 9.347 1.00 0.00 H new ATOM 0 HD1 HIS A 38 5.599 5.326 7.619 1.00 0.00 H new ATOM 0 HD2 HIS A 38 9.523 3.893 8.100 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.169 7.142 6.739 1.00 0.00 H new ATOM 486 N VAL A 39 6.907 2.563 5.356 1.00 0.00 N ATOM 487 CA VAL A 39 7.716 2.617 4.150 1.00 0.00 C ATOM 488 C VAL A 39 7.580 4.000 3.511 1.00 0.00 C ATOM 489 O VAL A 39 6.769 4.814 3.949 1.00 0.00 O ATOM 490 CB VAL A 39 7.323 1.480 3.204 1.00 0.00 C ATOM 491 CG1 VAL A 39 8.036 0.180 3.582 1.00 0.00 C ATOM 492 CG2 VAL A 39 5.805 1.286 3.181 1.00 0.00 C ATOM 0 H VAL A 39 6.044 3.104 5.315 1.00 0.00 H new ATOM 0 HA VAL A 39 8.769 2.472 4.390 1.00 0.00 H new ATOM 0 HB VAL A 39 7.641 1.756 2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.739 -0.611 2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.115 0.326 3.523 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.763 -0.102 4.599 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.552 0.472 2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.454 1.043 4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.326 2.204 2.841 1.00 0.00 H new ATOM 502 N GLU A 40 8.388 4.225 2.484 1.00 0.00 N ATOM 503 CA GLU A 40 8.369 5.496 1.781 1.00 0.00 C ATOM 504 C GLU A 40 7.630 5.353 0.448 1.00 0.00 C ATOM 505 O GLU A 40 7.506 4.250 -0.083 1.00 0.00 O ATOM 506 CB GLU A 40 9.787 6.025 1.566 1.00 0.00 C ATOM 507 CG GLU A 40 10.561 5.141 0.586 1.00 0.00 C ATOM 508 CD GLU A 40 12.071 5.297 0.781 1.00 0.00 C ATOM 509 OE1 GLU A 40 12.578 6.387 0.441 1.00 0.00 O ATOM 510 OE2 GLU A 40 12.684 4.321 1.266 1.00 0.00 O ATOM 0 H GLU A 40 9.060 3.548 2.123 1.00 0.00 H new ATOM 0 HA GLU A 40 7.835 6.221 2.396 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.744 7.045 1.185 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.313 6.063 2.520 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.278 4.098 0.730 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.294 5.406 -0.437 1.00 0.00 H new ATOM 515 N ALA A 41 7.157 6.484 -0.054 1.00 0.00 N ATOM 516 CA ALA A 41 6.433 6.499 -1.314 1.00 0.00 C ATOM 517 C ALA A 41 7.376 6.078 -2.444 1.00 0.00 C ATOM 518 O ALA A 41 8.091 6.908 -3.002 1.00 0.00 O ATOM 519 CB ALA A 41 5.834 7.888 -1.541 1.00 0.00 C ATOM 0 H ALA A 41 7.261 7.397 0.389 1.00 0.00 H new ATOM 0 HA ALA A 41 5.607 5.788 -1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.291 7.900 -2.486 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.150 8.127 -0.726 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.633 8.628 -1.573 1.00 0.00 H new ATOM 525 N GLY A 42 7.346 4.788 -2.745 1.00 0.00 N ATOM 526 CA GLY A 42 8.189 4.247 -3.798 1.00 0.00 C ATOM 527 C GLY A 42 8.663 2.834 -3.450 1.00 0.00 C ATOM 528 O GLY A 42 9.058 2.073 -4.331 1.00 0.00 O ATOM 0 H GLY A 42 6.752 4.102 -2.279 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.636 4.228 -4.737 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.051 4.897 -3.948 1.00 0.00 H new ATOM 532 N SER A 43 8.606 2.527 -2.162 1.00 0.00 N ATOM 533 CA SER A 43 9.024 1.219 -1.685 1.00 0.00 C ATOM 534 C SER A 43 7.924 0.190 -1.951 1.00 0.00 C ATOM 535 O SER A 43 6.896 0.513 -2.543 1.00 0.00 O ATOM 536 CB SER A 43 9.365 1.259 -0.195 1.00 0.00 C ATOM 537 OG SER A 43 9.514 -0.048 0.353 1.00 0.00 O ATOM 0 H SER A 43 8.277 3.161 -1.434 1.00 0.00 H new ATOM 0 HA SER A 43 9.924 0.928 -2.227 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.288 1.821 -0.049 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.580 1.790 0.343 1.00 0.00 H new ATOM 0 HG SER A 43 9.733 0.020 1.306 1.00 0.00 H new ATOM 542 N SER A 44 8.178 -1.030 -1.500 1.00 0.00 N ATOM 543 CA SER A 44 7.222 -2.109 -1.682 1.00 0.00 C ATOM 544 C SER A 44 6.771 -2.644 -0.321 1.00 0.00 C ATOM 545 O SER A 44 7.596 -2.891 0.557 1.00 0.00 O ATOM 546 CB SER A 44 7.819 -3.238 -2.524 1.00 0.00 C ATOM 547 OG SER A 44 9.080 -3.671 -2.021 1.00 0.00 O ATOM 0 H SER A 44 9.032 -1.295 -1.009 1.00 0.00 H new ATOM 0 HA SER A 44 6.357 -1.713 -2.215 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.128 -4.081 -2.543 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.936 -2.899 -3.553 1.00 0.00 H new ATOM 0 HG SER A 44 9.427 -4.393 -2.585 1.00 0.00 H new ATOM 552 N TYR A 45 5.463 -2.808 -0.189 1.00 0.00 N ATOM 553 CA TYR A 45 4.893 -3.309 1.050 1.00 0.00 C ATOM 554 C TYR A 45 4.166 -4.635 0.823 1.00 0.00 C ATOM 555 O TYR A 45 3.753 -5.293 1.777 1.00 0.00 O ATOM 556 CB TYR A 45 3.879 -2.256 1.503 1.00 0.00 C ATOM 557 CG TYR A 45 2.536 -2.332 0.775 1.00 0.00 C ATOM 558 CD1 TYR A 45 1.647 -3.345 1.071 1.00 0.00 C ATOM 559 CD2 TYR A 45 2.213 -1.388 -0.177 1.00 0.00 C ATOM 560 CE1 TYR A 45 0.382 -3.417 0.385 1.00 0.00 C ATOM 561 CE2 TYR A 45 0.949 -1.458 -0.863 1.00 0.00 C ATOM 562 CZ TYR A 45 0.096 -2.470 -0.547 1.00 0.00 C ATOM 563 OH TYR A 45 -1.098 -2.538 -1.195 1.00 0.00 O ATOM 0 H TYR A 45 4.782 -2.603 -0.920 1.00 0.00 H new ATOM 0 HA TYR A 45 5.675 -3.483 1.789 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.707 -2.369 2.573 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.307 -1.265 1.351 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.899 -4.084 1.817 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.909 -0.595 -0.408 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.323 -4.205 0.606 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.684 -0.725 -1.610 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.167 -1.797 -1.832 1.00 0.00 H new ATOM 572 N ALA A 46 4.032 -4.989 -0.447 1.00 0.00 N ATOM 573 CA ALA A 46 3.361 -6.226 -0.812 1.00 0.00 C ATOM 574 C ALA A 46 3.590 -6.504 -2.299 1.00 0.00 C ATOM 575 O ALA A 46 4.308 -5.764 -2.970 1.00 0.00 O ATOM 576 CB ALA A 46 1.876 -6.125 -0.460 1.00 0.00 C ATOM 0 H ALA A 46 4.376 -4.441 -1.236 1.00 0.00 H new ATOM 0 HA ALA A 46 3.772 -7.066 -0.252 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.373 -7.053 -0.734 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.767 -5.956 0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.428 -5.295 -1.006 1.00 0.00 H new ATOM 582 N GLU A 47 2.965 -7.574 -2.771 1.00 0.00 N ATOM 583 CA GLU A 47 3.092 -7.959 -4.166 1.00 0.00 C ATOM 584 C GLU A 47 1.761 -8.503 -4.689 1.00 0.00 C ATOM 585 O GLU A 47 0.776 -8.558 -3.953 1.00 0.00 O ATOM 586 CB GLU A 47 4.214 -8.982 -4.353 1.00 0.00 C ATOM 587 CG GLU A 47 5.515 -8.493 -3.715 1.00 0.00 C ATOM 588 CD GLU A 47 6.699 -9.357 -4.151 1.00 0.00 C ATOM 589 OE1 GLU A 47 6.492 -10.185 -5.064 1.00 0.00 O ATOM 590 OE2 GLU A 47 7.786 -9.171 -3.562 1.00 0.00 O ATOM 0 H GLU A 47 2.370 -8.185 -2.212 1.00 0.00 H new ATOM 0 HA GLU A 47 3.353 -7.073 -4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.922 -9.933 -3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.372 -9.163 -5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.694 -7.455 -3.997 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.423 -8.517 -2.629 1.00 0.00 H new ATOM 595 N MET A 48 1.773 -8.893 -5.955 1.00 0.00 N ATOM 596 CA MET A 48 0.579 -9.431 -6.585 1.00 0.00 C ATOM 597 C MET A 48 0.929 -10.184 -7.870 1.00 0.00 C ATOM 598 O MET A 48 1.907 -9.855 -8.540 1.00 0.00 O ATOM 599 CB MET A 48 -0.386 -8.289 -6.908 1.00 0.00 C ATOM 600 CG MET A 48 0.323 -7.173 -7.678 1.00 0.00 C ATOM 601 SD MET A 48 -0.426 -6.968 -9.285 1.00 0.00 S ATOM 602 CE MET A 48 -2.088 -6.534 -8.799 1.00 0.00 C ATOM 0 H MET A 48 2.591 -8.847 -6.562 1.00 0.00 H new ATOM 0 HA MET A 48 0.109 -10.130 -5.893 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.220 -8.669 -7.497 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.804 -7.889 -5.984 1.00 0.00 H new ATOM 0 HG2 MET A 48 0.264 -6.240 -7.118 1.00 0.00 H new ATOM 0 HG3 MET A 48 1.381 -7.412 -7.789 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.798 -6.968 -9.503 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.287 -6.919 -7.799 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.195 -5.449 -8.798 1.00 0.00 H new ATOM 610 N GLU A 49 0.111 -11.180 -8.176 1.00 0.00 N ATOM 611 CA GLU A 49 0.322 -11.983 -9.369 1.00 0.00 C ATOM 612 C GLU A 49 -0.738 -11.655 -10.422 1.00 0.00 C ATOM 613 O GLU A 49 -1.917 -11.955 -10.237 1.00 0.00 O ATOM 614 CB GLU A 49 0.318 -13.475 -9.033 1.00 0.00 C ATOM 615 CG GLU A 49 0.468 -14.322 -10.298 1.00 0.00 C ATOM 616 CD GLU A 49 0.919 -15.743 -9.957 1.00 0.00 C ATOM 617 OE1 GLU A 49 0.504 -16.227 -8.882 1.00 0.00 O ATOM 618 OE2 GLU A 49 1.668 -16.314 -10.779 1.00 0.00 O ATOM 0 H GLU A 49 -0.699 -11.450 -7.618 1.00 0.00 H new ATOM 0 HA GLU A 49 1.302 -11.740 -9.779 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.132 -13.698 -8.343 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.611 -13.735 -8.525 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.482 -14.356 -10.831 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.192 -13.858 -10.967 1.00 0.00 H new ATOM 623 N VAL A 50 -0.281 -11.043 -11.504 1.00 0.00 N ATOM 624 CA VAL A 50 -1.175 -10.672 -12.588 1.00 0.00 C ATOM 625 C VAL A 50 -0.576 -11.132 -13.919 1.00 0.00 C ATOM 626 O VAL A 50 0.632 -11.034 -14.126 1.00 0.00 O ATOM 627 CB VAL A 50 -1.451 -9.167 -12.546 1.00 0.00 C ATOM 628 CG1 VAL A 50 -0.146 -8.370 -12.503 1.00 0.00 C ATOM 629 CG2 VAL A 50 -2.319 -8.736 -13.730 1.00 0.00 C ATOM 0 H VAL A 50 0.697 -10.795 -11.654 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.138 -11.170 -12.476 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.003 -8.953 -11.631 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.372 -7.304 -12.474 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.420 -8.646 -11.613 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.445 -8.592 -13.392 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.500 -7.663 -13.676 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.806 -8.971 -14.662 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.270 -9.267 -13.696 1.00 0.00 H new ATOM 639 N MET A 51 -1.449 -11.624 -14.785 1.00 0.00 N ATOM 640 CA MET A 51 -1.021 -12.100 -16.090 1.00 0.00 C ATOM 641 C MET A 51 0.106 -13.125 -15.957 1.00 0.00 C ATOM 642 O MET A 51 1.026 -13.152 -16.773 1.00 0.00 O ATOM 643 CB MET A 51 -0.538 -10.917 -16.932 1.00 0.00 C ATOM 644 CG MET A 51 -1.692 -10.301 -17.726 1.00 0.00 C ATOM 645 SD MET A 51 -1.157 -9.922 -19.386 1.00 0.00 S ATOM 646 CE MET A 51 -2.260 -10.975 -20.315 1.00 0.00 C ATOM 0 H MET A 51 -2.451 -11.704 -14.609 1.00 0.00 H new ATOM 0 HA MET A 51 -1.869 -12.581 -16.576 1.00 0.00 H new ATOM 0 HB2 MET A 51 -0.094 -10.162 -16.283 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.243 -11.248 -17.616 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.534 -10.993 -17.755 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.041 -9.394 -17.232 1.00 0.00 H new ATOM 0 HE1 MET A 51 -2.060 -10.861 -21.380 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.102 -12.014 -20.025 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.292 -10.694 -20.107 1.00 0.00 H new ATOM 654 N LYS A 52 -0.003 -13.947 -14.923 1.00 0.00 N ATOM 655 CA LYS A 52 0.995 -14.972 -14.672 1.00 0.00 C ATOM 656 C LYS A 52 2.335 -14.306 -14.353 1.00 0.00 C ATOM 657 O LYS A 52 3.392 -14.909 -14.537 1.00 0.00 O ATOM 658 CB LYS A 52 1.060 -15.954 -15.843 1.00 0.00 C ATOM 659 CG LYS A 52 0.388 -17.281 -15.486 1.00 0.00 C ATOM 660 CD LYS A 52 0.919 -18.419 -16.360 1.00 0.00 C ATOM 661 CE LYS A 52 2.019 -19.198 -15.635 1.00 0.00 C ATOM 662 NZ LYS A 52 3.332 -18.956 -16.272 1.00 0.00 N ATOM 0 H LYS A 52 -0.768 -13.923 -14.249 1.00 0.00 H new ATOM 0 HA LYS A 52 0.719 -15.567 -13.801 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.572 -15.518 -16.715 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.100 -16.131 -16.116 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.566 -17.511 -14.436 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.691 -17.192 -15.615 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.103 -19.093 -16.622 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.310 -18.014 -17.293 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.055 -18.898 -14.588 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.790 -20.264 -15.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.067 -19.492 -15.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.298 -19.264 -17.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.555 -17.941 -16.232 1.00 0.00 H new ATOM 672 N MET A 53 2.248 -13.071 -13.880 1.00 0.00 N ATOM 673 CA MET A 53 3.440 -12.317 -13.533 1.00 0.00 C ATOM 674 C MET A 53 3.346 -11.766 -12.109 1.00 0.00 C ATOM 675 O MET A 53 2.286 -11.304 -11.688 1.00 0.00 O ATOM 676 CB MET A 53 3.617 -11.160 -14.519 1.00 0.00 C ATOM 677 CG MET A 53 3.547 -11.655 -15.964 1.00 0.00 C ATOM 678 SD MET A 53 5.122 -11.411 -16.770 1.00 0.00 S ATOM 679 CE MET A 53 4.729 -10.006 -17.797 1.00 0.00 C ATOM 0 H MET A 53 1.370 -12.574 -13.729 1.00 0.00 H new ATOM 0 HA MET A 53 4.299 -12.986 -13.586 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.843 -10.412 -14.349 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.576 -10.672 -14.344 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.279 -12.711 -15.983 1.00 0.00 H new ATOM 0 HG3 MET A 53 2.766 -11.119 -16.503 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.609 -9.719 -18.373 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.919 -10.268 -18.478 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.419 -9.171 -17.168 1.00 0.00 H new ATOM 687 N ILE A 54 4.467 -11.832 -11.408 1.00 0.00 N ATOM 688 CA ILE A 54 4.524 -11.344 -10.040 1.00 0.00 C ATOM 689 C ILE A 54 4.989 -9.887 -10.040 1.00 0.00 C ATOM 690 O ILE A 54 6.113 -9.591 -10.442 1.00 0.00 O ATOM 691 CB ILE A 54 5.390 -12.266 -9.178 1.00 0.00 C ATOM 692 CG1 ILE A 54 4.919 -13.718 -9.283 1.00 0.00 C ATOM 693 CG2 ILE A 54 5.432 -11.781 -7.728 1.00 0.00 C ATOM 694 CD1 ILE A 54 3.490 -13.870 -8.758 1.00 0.00 C ATOM 0 H ILE A 54 5.344 -12.216 -11.761 1.00 0.00 H new ATOM 0 HA ILE A 54 3.532 -11.361 -9.589 1.00 0.00 H new ATOM 0 HB ILE A 54 6.410 -12.230 -9.559 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.965 -14.045 -10.322 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.589 -14.364 -8.716 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.054 -12.454 -7.137 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.850 -10.775 -7.693 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.422 -11.768 -7.319 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.180 -14.911 -8.844 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.452 -13.565 -7.712 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.819 -13.242 -9.343 1.00 0.00 H new ATOM 705 N MET A 55 4.101 -9.016 -9.587 1.00 0.00 N ATOM 706 CA MET A 55 4.407 -7.595 -9.530 1.00 0.00 C ATOM 707 C MET A 55 4.422 -7.096 -8.084 1.00 0.00 C ATOM 708 O MET A 55 3.576 -7.485 -7.280 1.00 0.00 O ATOM 709 CB MET A 55 3.362 -6.816 -10.330 1.00 0.00 C ATOM 710 CG MET A 55 3.438 -7.165 -11.818 1.00 0.00 C ATOM 711 SD MET A 55 2.240 -6.207 -12.731 1.00 0.00 S ATOM 712 CE MET A 55 3.310 -4.966 -13.438 1.00 0.00 C ATOM 0 H MET A 55 3.169 -9.265 -9.256 1.00 0.00 H new ATOM 0 HA MET A 55 5.397 -7.437 -9.959 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.366 -7.042 -9.950 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.519 -5.746 -10.195 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.440 -6.965 -12.196 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.250 -8.229 -11.961 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.719 -4.279 -14.044 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.803 -4.413 -12.639 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.062 -5.447 -14.064 1.00 0.00 H new ATOM 720 N THR A 56 5.391 -6.239 -7.798 1.00 0.00 N ATOM 721 CA THR A 56 5.527 -5.681 -6.464 1.00 0.00 C ATOM 722 C THR A 56 4.559 -4.512 -6.273 1.00 0.00 C ATOM 723 O THR A 56 4.289 -3.766 -7.213 1.00 0.00 O ATOM 724 CB THR A 56 6.993 -5.295 -6.260 1.00 0.00 C ATOM 725 OG1 THR A 56 7.713 -6.229 -7.060 1.00 0.00 O ATOM 726 CG2 THR A 56 7.479 -5.573 -4.835 1.00 0.00 C ATOM 0 H THR A 56 6.090 -5.917 -8.468 1.00 0.00 H new ATOM 0 HA THR A 56 5.259 -6.412 -5.701 1.00 0.00 H new ATOM 0 HB THR A 56 7.125 -4.238 -6.489 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.674 -6.050 -6.988 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.525 -5.281 -4.744 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.880 -5.000 -4.128 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.379 -6.636 -4.617 1.00 0.00 H new ATOM 734 N LEU A 57 4.062 -4.389 -5.050 1.00 0.00 N ATOM 735 CA LEU A 57 3.130 -3.323 -4.725 1.00 0.00 C ATOM 736 C LEU A 57 3.838 -2.280 -3.857 1.00 0.00 C ATOM 737 O LEU A 57 4.489 -2.625 -2.873 1.00 0.00 O ATOM 738 CB LEU A 57 1.863 -3.897 -4.087 1.00 0.00 C ATOM 739 CG LEU A 57 0.626 -3.954 -4.986 1.00 0.00 C ATOM 740 CD1 LEU A 57 -0.529 -4.672 -4.286 1.00 0.00 C ATOM 741 CD2 LEU A 57 0.228 -2.556 -5.461 1.00 0.00 C ATOM 0 H LEU A 57 4.288 -5.010 -4.273 1.00 0.00 H new ATOM 0 HA LEU A 57 2.801 -2.814 -5.631 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.081 -4.906 -3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.621 -3.301 -3.207 1.00 0.00 H new ATOM 0 HG LEU A 57 0.876 -4.536 -5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.395 -4.698 -4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.229 -5.691 -4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.787 -4.139 -3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.654 -2.625 -6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.004 -1.929 -4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.050 -2.116 -6.026 1.00 0.00 H new ATOM 752 N ASN A 58 3.684 -1.025 -4.255 1.00 0.00 N ATOM 753 CA ASN A 58 4.300 0.071 -3.526 1.00 0.00 C ATOM 754 C ASN A 58 3.207 0.970 -2.947 1.00 0.00 C ATOM 755 O ASN A 58 2.044 0.868 -3.334 1.00 0.00 O ATOM 756 CB ASN A 58 5.175 0.922 -4.448 1.00 0.00 C ATOM 757 CG ASN A 58 4.484 1.161 -5.793 1.00 0.00 C ATOM 758 OD1 ASN A 58 3.340 0.795 -6.006 1.00 0.00 O ATOM 759 ND2 ASN A 58 5.241 1.793 -6.685 1.00 0.00 N ATOM 0 H ASN A 58 3.142 -0.743 -5.072 1.00 0.00 H new ATOM 0 HA ASN A 58 4.918 -0.354 -2.735 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.390 1.878 -3.971 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.131 0.424 -4.610 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.871 1.999 -7.613 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.191 2.072 -6.441 1.00 0.00 H new ATOM 765 N VAL A 59 3.619 1.832 -2.028 1.00 0.00 N ATOM 766 CA VAL A 59 2.689 2.750 -1.392 1.00 0.00 C ATOM 767 C VAL A 59 2.604 4.036 -2.216 1.00 0.00 C ATOM 768 O VAL A 59 3.613 4.516 -2.730 1.00 0.00 O ATOM 769 CB VAL A 59 3.107 2.995 0.059 1.00 0.00 C ATOM 770 CG1 VAL A 59 3.301 1.674 0.805 1.00 0.00 C ATOM 771 CG2 VAL A 59 4.370 3.854 0.127 1.00 0.00 C ATOM 0 H VAL A 59 4.584 1.914 -1.709 1.00 0.00 H new ATOM 0 HA VAL A 59 1.688 2.319 -1.360 1.00 0.00 H new ATOM 0 HB VAL A 59 2.303 3.542 0.552 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.598 1.877 1.834 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.366 1.113 0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.077 1.089 0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.646 4.013 1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.184 3.346 -0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.182 4.816 -0.350 1.00 0.00 H new ATOM 781 N GLN A 60 1.389 4.557 -2.316 1.00 0.00 N ATOM 782 CA GLN A 60 1.159 5.778 -3.069 1.00 0.00 C ATOM 783 C GLN A 60 1.744 6.980 -2.323 1.00 0.00 C ATOM 784 O GLN A 60 2.091 7.987 -2.937 1.00 0.00 O ATOM 785 CB GLN A 60 -0.331 5.978 -3.348 1.00 0.00 C ATOM 786 CG GLN A 60 -0.620 5.926 -4.849 1.00 0.00 C ATOM 787 CD GLN A 60 -1.803 6.826 -5.212 1.00 0.00 C ATOM 788 OE1 GLN A 60 -1.654 7.883 -5.804 1.00 0.00 O ATOM 789 NE2 GLN A 60 -2.983 6.350 -4.826 1.00 0.00 N ATOM 0 H GLN A 60 0.554 4.156 -1.888 1.00 0.00 H new ATOM 0 HA GLN A 60 1.666 5.690 -4.030 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.907 5.207 -2.836 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.654 6.938 -2.945 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.264 6.240 -5.404 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.835 4.900 -5.146 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.037 5.458 -4.334 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.834 6.877 -5.022 1.00 0.00 H new ATOM 796 N GLU A 61 1.833 6.833 -1.010 1.00 0.00 N ATOM 797 CA GLU A 61 2.369 7.894 -0.173 1.00 0.00 C ATOM 798 C GLU A 61 2.920 7.314 1.132 1.00 0.00 C ATOM 799 O GLU A 61 2.236 6.552 1.814 1.00 0.00 O ATOM 800 CB GLU A 61 1.309 8.961 0.107 1.00 0.00 C ATOM 801 CG GLU A 61 0.694 9.477 -1.196 1.00 0.00 C ATOM 802 CD GLU A 61 -0.271 10.633 -0.926 1.00 0.00 C ATOM 803 OE1 GLU A 61 -1.394 10.339 -0.461 1.00 0.00 O ATOM 804 OE2 GLU A 61 0.136 11.786 -1.190 1.00 0.00 O ATOM 0 H GLU A 61 1.543 5.996 -0.504 1.00 0.00 H new ATOM 0 HA GLU A 61 3.188 8.374 -0.710 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.527 8.545 0.742 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.758 9.790 0.655 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.485 9.808 -1.869 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.165 8.667 -1.699 1.00 0.00 H new ATOM 809 N ARG A 62 4.151 7.695 1.438 1.00 0.00 N ATOM 810 CA ARG A 62 4.803 7.223 2.648 1.00 0.00 C ATOM 811 C ARG A 62 3.786 7.105 3.787 1.00 0.00 C ATOM 812 O ARG A 62 2.821 7.865 3.842 1.00 0.00 O ATOM 813 CB ARG A 62 5.927 8.169 3.074 1.00 0.00 C ATOM 814 CG ARG A 62 5.363 9.497 3.583 1.00 0.00 C ATOM 815 CD ARG A 62 6.186 10.677 3.062 1.00 0.00 C ATOM 816 NE ARG A 62 6.952 11.288 4.171 1.00 0.00 N ATOM 817 CZ ARG A 62 6.392 11.885 5.232 1.00 0.00 C ATOM 818 NH1 ARG A 62 5.058 11.955 5.334 1.00 0.00 N ATOM 819 NH2 ARG A 62 7.166 12.413 6.190 1.00 0.00 N ATOM 0 H ARG A 62 4.715 8.326 0.868 1.00 0.00 H new ATOM 0 HA ARG A 62 5.230 6.243 2.434 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.525 7.700 3.856 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.592 8.352 2.230 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.326 9.603 3.263 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.362 9.502 4.673 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.867 10.339 2.281 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.528 11.420 2.611 1.00 0.00 H new ATOM 0 HE ARG A 62 7.970 11.252 4.125 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.469 11.554 4.604 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.631 12.409 6.141 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.182 12.361 6.112 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.740 12.867 6.997 1.00 0.00 H new ATOM 830 N GLY A 63 4.037 6.146 4.665 1.00 0.00 N ATOM 831 CA GLY A 63 3.157 5.919 5.798 1.00 0.00 C ATOM 832 C GLY A 63 3.360 4.518 6.378 1.00 0.00 C ATOM 833 O GLY A 63 4.486 4.029 6.450 1.00 0.00 O ATOM 0 H GLY A 63 4.838 5.517 4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.349 6.666 6.568 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.119 6.041 5.487 1.00 0.00 H new ATOM 837 N ARG A 64 2.252 3.911 6.777 1.00 0.00 N ATOM 838 CA ARG A 64 2.294 2.575 7.348 1.00 0.00 C ATOM 839 C ARG A 64 1.271 1.671 6.658 1.00 0.00 C ATOM 840 O ARG A 64 0.111 2.047 6.499 1.00 0.00 O ATOM 841 CB ARG A 64 2.004 2.610 8.850 1.00 0.00 C ATOM 842 CG ARG A 64 3.292 2.795 9.653 1.00 0.00 C ATOM 843 CD ARG A 64 2.985 3.051 11.131 1.00 0.00 C ATOM 844 NE ARG A 64 3.797 2.151 11.979 1.00 0.00 N ATOM 845 CZ ARG A 64 3.733 2.118 13.318 1.00 0.00 C ATOM 846 NH1 ARG A 64 2.891 2.935 13.967 1.00 0.00 N ATOM 847 NH2 ARG A 64 4.508 1.270 14.006 1.00 0.00 N ATOM 0 H ARG A 64 1.319 4.320 6.716 1.00 0.00 H new ATOM 0 HA ARG A 64 3.297 2.178 7.192 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.313 3.423 9.072 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.514 1.684 9.151 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.916 1.907 9.556 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.862 3.631 9.246 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.199 4.090 11.381 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.925 2.888 11.324 1.00 0.00 H new ATOM 0 HE ARG A 64 4.447 1.515 11.516 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.300 3.580 13.442 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.841 2.911 14.985 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.148 0.648 13.512 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.458 1.246 15.025 1.00 0.00 H new ATOM 858 N VAL A 65 1.739 0.494 6.266 1.00 0.00 N ATOM 859 CA VAL A 65 0.879 -0.467 5.597 1.00 0.00 C ATOM 860 C VAL A 65 0.106 -1.270 6.646 1.00 0.00 C ATOM 861 O VAL A 65 0.638 -1.582 7.709 1.00 0.00 O ATOM 862 CB VAL A 65 1.710 -1.349 4.662 1.00 0.00 C ATOM 863 CG1 VAL A 65 0.856 -2.470 4.064 1.00 0.00 C ATOM 864 CG2 VAL A 65 2.367 -0.514 3.561 1.00 0.00 C ATOM 0 H VAL A 65 2.702 0.185 6.399 1.00 0.00 H new ATOM 0 HA VAL A 65 0.145 0.045 4.974 1.00 0.00 H new ATOM 0 HB VAL A 65 2.503 -1.809 5.252 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.470 -3.082 3.403 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.456 -3.090 4.866 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.033 -2.037 3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.951 -1.165 2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.596 -0.013 2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.022 0.232 4.012 1.00 0.00 H new ATOM 874 N LYS A 66 -1.137 -1.581 6.308 1.00 0.00 N ATOM 875 CA LYS A 66 -1.988 -2.341 7.206 1.00 0.00 C ATOM 876 C LYS A 66 -2.701 -3.441 6.418 1.00 0.00 C ATOM 877 O LYS A 66 -2.778 -3.380 5.192 1.00 0.00 O ATOM 878 CB LYS A 66 -2.940 -1.409 7.958 1.00 0.00 C ATOM 879 CG LYS A 66 -3.219 -1.930 9.369 1.00 0.00 C ATOM 880 CD LYS A 66 -3.383 -0.775 10.359 1.00 0.00 C ATOM 881 CE LYS A 66 -4.448 -1.100 11.408 1.00 0.00 C ATOM 882 NZ LYS A 66 -4.238 -0.288 12.629 1.00 0.00 N ATOM 0 H LYS A 66 -1.575 -1.320 5.424 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.389 -2.834 7.972 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.507 -0.410 8.015 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.877 -1.320 7.408 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.123 -2.539 9.363 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.401 -2.575 9.690 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.431 -0.575 10.851 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.661 0.132 9.822 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.440 -0.905 11.000 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.409 -2.160 11.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.969 -0.521 13.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.299 -0.494 13.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.298 0.722 12.389 1.00 0.00 H new ATOM 892 N TYR A 67 -3.203 -4.421 7.154 1.00 0.00 N ATOM 893 CA TYR A 67 -3.907 -5.534 6.539 1.00 0.00 C ATOM 894 C TYR A 67 -5.405 -5.240 6.423 1.00 0.00 C ATOM 895 O TYR A 67 -6.053 -4.901 7.412 1.00 0.00 O ATOM 896 CB TYR A 67 -3.706 -6.729 7.473 1.00 0.00 C ATOM 897 CG TYR A 67 -4.922 -7.653 7.573 1.00 0.00 C ATOM 898 CD1 TYR A 67 -5.359 -8.340 6.459 1.00 0.00 C ATOM 899 CD2 TYR A 67 -5.581 -7.798 8.776 1.00 0.00 C ATOM 900 CE1 TYR A 67 -6.502 -9.210 6.553 1.00 0.00 C ATOM 901 CE2 TYR A 67 -6.724 -8.668 8.871 1.00 0.00 C ATOM 902 CZ TYR A 67 -7.129 -9.331 7.754 1.00 0.00 C ATOM 903 OH TYR A 67 -8.209 -10.152 7.843 1.00 0.00 O ATOM 0 H TYR A 67 -3.136 -4.468 8.171 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.527 -5.719 5.534 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.850 -7.308 7.126 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.459 -6.361 8.469 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.844 -8.225 5.517 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.239 -7.259 9.647 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.854 -9.754 5.689 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.248 -8.792 9.807 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.554 -10.141 8.760 1.00 0.00 H new ATOM 912 N ILE A 68 -5.910 -5.378 5.206 1.00 0.00 N ATOM 913 CA ILE A 68 -7.318 -5.131 4.948 1.00 0.00 C ATOM 914 C ILE A 68 -7.958 -6.398 4.377 1.00 0.00 C ATOM 915 O ILE A 68 -8.751 -7.055 5.049 1.00 0.00 O ATOM 916 CB ILE A 68 -7.491 -3.899 4.057 1.00 0.00 C ATOM 917 CG1 ILE A 68 -6.957 -2.643 4.747 1.00 0.00 C ATOM 918 CG2 ILE A 68 -8.949 -3.739 3.621 1.00 0.00 C ATOM 919 CD1 ILE A 68 -7.753 -2.335 6.018 1.00 0.00 C ATOM 0 H ILE A 68 -5.369 -5.658 4.388 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.841 -4.901 5.876 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.899 -4.045 3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.905 -2.780 4.997 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.014 -1.796 4.063 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.045 -2.856 2.989 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.260 -4.621 3.062 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.582 -3.625 4.501 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.353 -1.437 6.489 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.800 -2.174 5.762 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.673 -3.174 6.709 1.00 0.00 H new ATOM 930 N LYS A 69 -7.588 -6.704 3.141 1.00 0.00 N ATOM 931 CA LYS A 69 -8.115 -7.881 2.472 1.00 0.00 C ATOM 932 C LYS A 69 -7.204 -9.076 2.759 1.00 0.00 C ATOM 933 O LYS A 69 -5.983 -8.969 2.659 1.00 0.00 O ATOM 934 CB LYS A 69 -8.316 -7.604 0.981 1.00 0.00 C ATOM 935 CG LYS A 69 -9.015 -6.261 0.762 1.00 0.00 C ATOM 936 CD LYS A 69 -10.527 -6.392 0.952 1.00 0.00 C ATOM 937 CE LYS A 69 -11.210 -6.804 -0.355 1.00 0.00 C ATOM 938 NZ LYS A 69 -12.305 -7.762 -0.087 1.00 0.00 N ATOM 0 H LYS A 69 -6.930 -6.157 2.586 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.102 -8.132 2.862 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.351 -7.602 0.474 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.908 -8.403 0.536 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.620 -5.523 1.460 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.802 -5.895 -0.242 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.737 -7.131 1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.937 -5.443 1.298 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.605 -5.922 -0.859 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.480 -7.255 -1.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.758 -8.031 -0.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.919 -8.610 0.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.009 -7.319 0.537 1.00 0.00 H new ATOM 948 N ARG A 70 -7.833 -10.188 3.109 1.00 0.00 N ATOM 949 CA ARG A 70 -7.095 -11.403 3.411 1.00 0.00 C ATOM 950 C ARG A 70 -6.155 -11.754 2.255 1.00 0.00 C ATOM 951 O ARG A 70 -6.459 -11.472 1.097 1.00 0.00 O ATOM 952 CB ARG A 70 -8.044 -12.576 3.662 1.00 0.00 C ATOM 953 CG ARG A 70 -9.035 -12.250 4.781 1.00 0.00 C ATOM 954 CD ARG A 70 -8.951 -13.282 5.907 1.00 0.00 C ATOM 955 NE ARG A 70 -9.916 -12.943 6.977 1.00 0.00 N ATOM 956 CZ ARG A 70 -10.266 -13.779 7.964 1.00 0.00 C ATOM 957 NH1 ARG A 70 -9.732 -15.006 8.025 1.00 0.00 N ATOM 958 NH2 ARG A 70 -11.148 -13.386 8.893 1.00 0.00 N ATOM 0 H ARG A 70 -8.846 -10.273 3.190 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.513 -11.222 4.315 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.588 -12.811 2.747 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.469 -13.463 3.928 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.827 -11.256 5.178 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.048 -12.227 4.379 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.163 -14.277 5.516 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.940 -13.308 6.313 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.341 -12.016 6.962 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.058 -15.305 7.320 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.999 -15.642 8.777 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.553 -12.451 8.849 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.415 -14.022 9.644 1.00 0.00 H new ATOM 969 N PRO A 71 -5.005 -12.380 2.620 1.00 0.00 N ATOM 970 CA PRO A 71 -4.019 -12.772 1.627 1.00 0.00 C ATOM 971 C PRO A 71 -4.485 -14.005 0.850 1.00 0.00 C ATOM 972 O PRO A 71 -4.836 -15.022 1.446 1.00 0.00 O ATOM 973 CB PRO A 71 -2.741 -13.013 2.413 1.00 0.00 C ATOM 974 CG PRO A 71 -3.172 -13.199 3.859 1.00 0.00 C ATOM 975 CD PRO A 71 -4.612 -12.728 3.982 1.00 0.00 C ATOM 0 HA PRO A 71 -3.863 -12.008 0.865 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.216 -13.895 2.045 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.057 -12.170 2.314 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -3.087 -14.246 4.151 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.526 -12.629 4.526 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.251 -13.511 4.391 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.692 -11.870 4.649 1.00 0.00 H new ATOM 980 N GLY A 72 -4.472 -13.875 -0.469 1.00 0.00 N ATOM 981 CA GLY A 72 -4.889 -14.966 -1.333 1.00 0.00 C ATOM 982 C GLY A 72 -6.180 -14.616 -2.074 1.00 0.00 C ATOM 983 O GLY A 72 -6.749 -15.457 -2.769 1.00 0.00 O ATOM 0 H GLY A 72 -4.179 -13.030 -0.960 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.101 -15.186 -2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.039 -15.868 -0.739 1.00 0.00 H new ATOM 987 N ALA A 73 -6.606 -13.374 -1.902 1.00 0.00 N ATOM 988 CA ALA A 73 -7.820 -12.902 -2.546 1.00 0.00 C ATOM 989 C ALA A 73 -7.528 -12.603 -4.017 1.00 0.00 C ATOM 990 O ALA A 73 -6.388 -12.718 -4.464 1.00 0.00 O ATOM 991 CB ALA A 73 -8.353 -11.679 -1.797 1.00 0.00 C ATOM 0 H ALA A 73 -6.132 -12.679 -1.325 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.595 -13.668 -2.513 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.264 -11.325 -2.280 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.572 -11.952 -0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.603 -10.888 -1.812 1.00 0.00 H new ATOM 997 N VAL A 74 -8.579 -12.225 -4.731 1.00 0.00 N ATOM 998 CA VAL A 74 -8.449 -11.909 -6.143 1.00 0.00 C ATOM 999 C VAL A 74 -8.313 -10.394 -6.311 1.00 0.00 C ATOM 1000 O VAL A 74 -9.247 -9.647 -6.024 1.00 0.00 O ATOM 1001 CB VAL A 74 -9.631 -12.493 -6.920 1.00 0.00 C ATOM 1002 CG1 VAL A 74 -10.825 -11.536 -6.903 1.00 0.00 C ATOM 1003 CG2 VAL A 74 -9.226 -12.838 -8.354 1.00 0.00 C ATOM 0 H VAL A 74 -9.524 -12.131 -4.358 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.549 -12.364 -6.556 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.934 -13.416 -6.426 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.651 -11.975 -7.462 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.136 -11.361 -5.873 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.539 -10.589 -7.362 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.084 -13.251 -8.885 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.884 -11.936 -8.863 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.421 -13.573 -8.338 1.00 0.00 H new ATOM 1013 N LEU A 75 -7.141 -9.985 -6.777 1.00 0.00 N ATOM 1014 CA LEU A 75 -6.870 -8.573 -6.987 1.00 0.00 C ATOM 1015 C LEU A 75 -7.611 -8.098 -8.239 1.00 0.00 C ATOM 1016 O LEU A 75 -7.272 -8.494 -9.353 1.00 0.00 O ATOM 1017 CB LEU A 75 -5.362 -8.318 -7.030 1.00 0.00 C ATOM 1018 CG LEU A 75 -4.804 -7.411 -5.932 1.00 0.00 C ATOM 1019 CD1 LEU A 75 -4.951 -5.937 -6.312 1.00 0.00 C ATOM 1020 CD2 LEU A 75 -5.452 -7.722 -4.582 1.00 0.00 C ATOM 0 H LEU A 75 -6.369 -10.607 -7.015 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.245 -7.983 -6.151 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.849 -9.278 -6.976 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.115 -7.879 -7.997 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.738 -7.613 -5.831 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.547 -5.314 -5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.406 -5.743 -7.236 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.005 -5.702 -6.457 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.037 -7.063 -3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.529 -7.566 -4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.252 -8.759 -4.313 1.00 0.00 H new ATOM 1031 N GLU A 76 -8.607 -7.254 -8.012 1.00 0.00 N ATOM 1032 CA GLU A 76 -9.398 -6.719 -9.108 1.00 0.00 C ATOM 1033 C GLU A 76 -9.022 -5.260 -9.372 1.00 0.00 C ATOM 1034 O GLU A 76 -8.634 -4.540 -8.454 1.00 0.00 O ATOM 1035 CB GLU A 76 -10.895 -6.857 -8.821 1.00 0.00 C ATOM 1036 CG GLU A 76 -11.644 -7.371 -10.052 1.00 0.00 C ATOM 1037 CD GLU A 76 -12.623 -6.319 -10.577 1.00 0.00 C ATOM 1038 OE1 GLU A 76 -13.364 -5.763 -9.738 1.00 0.00 O ATOM 1039 OE2 GLU A 76 -12.608 -6.094 -11.806 1.00 0.00 O ATOM 0 H GLU A 76 -8.884 -6.928 -7.086 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.178 -7.297 -10.005 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.047 -7.541 -7.986 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.302 -5.892 -8.520 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.930 -7.631 -10.834 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.185 -8.282 -9.798 1.00 0.00 H new ATOM 1044 N ALA A 77 -9.150 -4.869 -10.631 1.00 0.00 N ATOM 1045 CA ALA A 77 -8.827 -3.508 -11.028 1.00 0.00 C ATOM 1046 C ALA A 77 -9.861 -2.549 -10.432 1.00 0.00 C ATOM 1047 O ALA A 77 -11.025 -2.561 -10.831 1.00 0.00 O ATOM 1048 CB ALA A 77 -8.764 -3.423 -12.554 1.00 0.00 C ATOM 0 H ALA A 77 -9.473 -5.470 -11.390 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.849 -3.218 -10.645 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.522 -2.403 -12.852 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.996 -4.101 -12.925 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.730 -3.704 -12.974 1.00 0.00 H new ATOM 1054 N GLY A 78 -9.399 -1.745 -9.488 1.00 0.00 N ATOM 1055 CA GLY A 78 -10.269 -0.781 -8.834 1.00 0.00 C ATOM 1056 C GLY A 78 -10.916 -1.386 -7.586 1.00 0.00 C ATOM 1057 O GLY A 78 -12.133 -1.322 -7.421 1.00 0.00 O ATOM 0 H GLY A 78 -8.433 -1.740 -9.159 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.695 0.104 -8.558 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -11.044 -0.455 -9.528 1.00 0.00 H new ATOM 1061 N CYS A 79 -10.073 -1.958 -6.740 1.00 0.00 N ATOM 1062 CA CYS A 79 -10.547 -2.574 -5.512 1.00 0.00 C ATOM 1063 C CYS A 79 -9.668 -2.084 -4.359 1.00 0.00 C ATOM 1064 O CYS A 79 -8.842 -1.191 -4.539 1.00 0.00 O ATOM 1065 CB CYS A 79 -10.558 -4.101 -5.612 1.00 0.00 C ATOM 1066 SG CYS A 79 -12.018 -4.774 -4.739 1.00 0.00 S ATOM 0 H CYS A 79 -9.064 -2.008 -6.880 1.00 0.00 H new ATOM 0 HA CYS A 79 -11.581 -2.280 -5.330 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -10.578 -4.405 -6.659 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -9.645 -4.509 -5.179 1.00 0.00 H new ATOM 0 HG CYS A 79 -12.019 -6.071 -4.832 1.00 0.00 H new ATOM 1071 N VAL A 80 -9.877 -2.691 -3.199 1.00 0.00 N ATOM 1072 CA VAL A 80 -9.114 -2.328 -2.018 1.00 0.00 C ATOM 1073 C VAL A 80 -8.094 -3.427 -1.716 1.00 0.00 C ATOM 1074 O VAL A 80 -8.354 -4.604 -1.963 1.00 0.00 O ATOM 1075 CB VAL A 80 -10.061 -2.054 -0.847 1.00 0.00 C ATOM 1076 CG1 VAL A 80 -10.788 -3.332 -0.420 1.00 0.00 C ATOM 1077 CG2 VAL A 80 -9.312 -1.430 0.331 1.00 0.00 C ATOM 0 H VAL A 80 -10.563 -3.431 -3.053 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.557 -1.407 -2.192 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.811 -1.338 -1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -11.455 -3.110 0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.370 -3.717 -1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.058 -4.080 -0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.009 -1.246 1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.530 -2.111 0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.862 -0.488 0.018 1.00 0.00 H new ATOM 1087 N VAL A 81 -6.955 -3.005 -1.187 1.00 0.00 N ATOM 1088 CA VAL A 81 -5.895 -3.940 -0.849 1.00 0.00 C ATOM 1089 C VAL A 81 -5.539 -3.787 0.630 1.00 0.00 C ATOM 1090 O VAL A 81 -5.736 -4.711 1.418 1.00 0.00 O ATOM 1091 CB VAL A 81 -4.697 -3.729 -1.778 1.00 0.00 C ATOM 1092 CG1 VAL A 81 -3.589 -4.742 -1.482 1.00 0.00 C ATOM 1093 CG2 VAL A 81 -5.122 -3.794 -3.246 1.00 0.00 C ATOM 0 H VAL A 81 -6.743 -2.028 -0.984 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.228 -4.967 -0.998 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.299 -2.732 -1.589 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.750 -4.570 -2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.256 -4.626 -0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.971 -5.752 -1.628 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.252 -3.641 -3.884 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.558 -4.771 -3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.860 -3.017 -3.446 1.00 0.00 H new ATOM 1103 N ALA A 82 -5.021 -2.614 0.964 1.00 0.00 N ATOM 1104 CA ALA A 82 -4.635 -2.329 2.335 1.00 0.00 C ATOM 1105 C ALA A 82 -4.970 -0.872 2.663 1.00 0.00 C ATOM 1106 O ALA A 82 -5.539 -0.161 1.835 1.00 0.00 O ATOM 1107 CB ALA A 82 -3.150 -2.641 2.524 1.00 0.00 C ATOM 0 H ALA A 82 -4.860 -1.850 0.308 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.191 -2.960 3.028 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.861 -2.427 3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.969 -3.694 2.308 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.560 -2.025 1.846 1.00 0.00 H new ATOM 1113 N ARG A 83 -4.603 -0.470 3.871 1.00 0.00 N ATOM 1114 CA ARG A 83 -4.858 0.888 4.317 1.00 0.00 C ATOM 1115 C ARG A 83 -3.543 1.583 4.678 1.00 0.00 C ATOM 1116 O ARG A 83 -2.631 0.954 5.213 1.00 0.00 O ATOM 1117 CB ARG A 83 -5.786 0.903 5.533 1.00 0.00 C ATOM 1118 CG ARG A 83 -5.754 2.266 6.230 1.00 0.00 C ATOM 1119 CD ARG A 83 -6.358 3.352 5.338 1.00 0.00 C ATOM 1120 NE ARG A 83 -7.501 3.993 6.026 1.00 0.00 N ATOM 1121 CZ ARG A 83 -8.748 3.505 6.022 1.00 0.00 C ATOM 1122 NH1 ARG A 83 -9.022 2.367 5.369 1.00 0.00 N ATOM 1123 NH2 ARG A 83 -9.724 4.153 6.673 1.00 0.00 N ATOM 0 H ARG A 83 -4.131 -1.062 4.555 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.342 1.421 3.499 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.805 0.674 5.220 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.485 0.125 6.234 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.307 2.212 7.168 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.726 2.526 6.480 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.602 4.099 5.098 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.688 2.918 4.394 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.328 4.860 6.535 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.280 1.872 4.874 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.972 1.996 5.367 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.517 5.018 7.172 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.674 3.781 6.670 1.00 0.00 H new ATOM 1134 N LEU A 84 -3.488 2.871 4.371 1.00 0.00 N ATOM 1135 CA LEU A 84 -2.300 3.659 4.656 1.00 0.00 C ATOM 1136 C LEU A 84 -2.529 4.476 5.929 1.00 0.00 C ATOM 1137 O LEU A 84 -3.578 5.100 6.089 1.00 0.00 O ATOM 1138 CB LEU A 84 -1.915 4.505 3.442 1.00 0.00 C ATOM 1139 CG LEU A 84 -0.439 4.898 3.340 1.00 0.00 C ATOM 1140 CD1 LEU A 84 -0.081 5.960 4.381 1.00 0.00 C ATOM 1141 CD2 LEU A 84 0.464 3.667 3.441 1.00 0.00 C ATOM 0 H LEU A 84 -4.247 3.389 3.928 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.446 3.008 4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.188 3.957 2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.513 5.416 3.454 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.270 5.341 2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.973 6.221 4.287 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.691 6.849 4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.270 5.568 5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.507 3.974 3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.299 3.173 4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.230 2.976 2.631 1.00 0.00 H new ATOM 1152 N GLU A 85 -1.533 4.446 6.801 1.00 0.00 N ATOM 1153 CA GLU A 85 -1.612 5.177 8.054 1.00 0.00 C ATOM 1154 C GLU A 85 -0.456 6.174 8.161 1.00 0.00 C ATOM 1155 O GLU A 85 0.663 5.796 8.504 1.00 0.00 O ATOM 1156 CB GLU A 85 -1.623 4.219 9.247 1.00 0.00 C ATOM 1157 CG GLU A 85 -2.179 4.907 10.496 1.00 0.00 C ATOM 1158 CD GLU A 85 -2.720 3.879 11.492 1.00 0.00 C ATOM 1159 OE1 GLU A 85 -3.474 2.991 11.039 1.00 0.00 O ATOM 1160 OE2 GLU A 85 -2.368 4.004 12.685 1.00 0.00 O ATOM 0 H GLU A 85 -0.666 3.926 6.665 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.549 5.734 8.069 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.228 3.344 9.010 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.611 3.864 9.443 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.396 5.500 10.969 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.973 5.597 10.212 1.00 0.00 H new ATOM 1165 N LEU A 86 -0.767 7.426 7.863 1.00 0.00 N ATOM 1166 CA LEU A 86 0.231 8.480 7.922 1.00 0.00 C ATOM 1167 C LEU A 86 0.653 8.697 9.377 1.00 0.00 C ATOM 1168 O LEU A 86 -0.125 9.204 10.183 1.00 0.00 O ATOM 1169 CB LEU A 86 -0.285 9.746 7.236 1.00 0.00 C ATOM 1170 CG LEU A 86 -0.632 9.612 5.752 1.00 0.00 C ATOM 1171 CD1 LEU A 86 -1.530 10.763 5.293 1.00 0.00 C ATOM 1172 CD2 LEU A 86 0.634 9.497 4.900 1.00 0.00 C ATOM 0 H LEU A 86 -1.697 7.735 7.580 1.00 0.00 H new ATOM 0 HA LEU A 86 1.125 8.189 7.371 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.174 10.086 7.767 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.469 10.526 7.343 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.196 8.689 5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.762 10.644 4.235 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.455 10.755 5.870 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.014 11.711 5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.358 9.403 3.850 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.246 10.388 5.036 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.200 8.618 5.207 1.00 0.00 H new ATOM 1183 N ASP A 87 1.884 8.300 9.667 1.00 0.00 N ATOM 1184 CA ASP A 87 2.418 8.445 11.011 1.00 0.00 C ATOM 1185 C ASP A 87 2.876 9.890 11.220 1.00 0.00 C ATOM 1186 O ASP A 87 3.287 10.260 12.319 1.00 0.00 O ATOM 1187 CB ASP A 87 3.625 7.529 11.225 1.00 0.00 C ATOM 1188 CG ASP A 87 4.069 7.375 12.681 1.00 0.00 C ATOM 1189 OD1 ASP A 87 4.842 8.247 13.135 1.00 0.00 O ATOM 1190 OD2 ASP A 87 3.626 6.388 13.308 1.00 0.00 O ATOM 0 H ASP A 87 2.526 7.879 8.995 1.00 0.00 H new ATOM 0 HA ASP A 87 1.633 8.177 11.718 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.389 6.542 10.827 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.463 7.915 10.644 1.00 0.00 H new ATOM 1194 N ASP A 88 2.791 10.665 10.150 1.00 0.00 N ATOM 1195 CA ASP A 88 3.192 12.060 10.202 1.00 0.00 C ATOM 1196 C ASP A 88 2.551 12.815 9.036 1.00 0.00 C ATOM 1197 O ASP A 88 3.025 12.736 7.904 1.00 0.00 O ATOM 1198 CB ASP A 88 4.710 12.202 10.079 1.00 0.00 C ATOM 1199 CG ASP A 88 5.354 13.159 11.084 1.00 0.00 C ATOM 1200 OD1 ASP A 88 4.809 14.274 11.237 1.00 0.00 O ATOM 1201 OD2 ASP A 88 6.377 12.754 11.678 1.00 0.00 O ATOM 0 H ASP A 88 2.450 10.353 9.241 1.00 0.00 H new ATOM 0 HA ASP A 88 2.868 12.468 11.159 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.163 11.217 10.197 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.947 12.544 9.071 1.00 0.00 H new ATOM 1205 N PRO A 89 1.453 13.550 9.361 1.00 0.00 N ATOM 1206 CA PRO A 89 0.742 14.318 8.354 1.00 0.00 C ATOM 1207 C PRO A 89 1.519 15.581 7.979 1.00 0.00 C ATOM 1208 O PRO A 89 2.622 15.806 8.473 1.00 0.00 O ATOM 1209 CB PRO A 89 -0.615 14.617 8.972 1.00 0.00 C ATOM 1210 CG PRO A 89 -0.446 14.409 10.469 1.00 0.00 C ATOM 1211 CD PRO A 89 0.863 13.667 10.691 1.00 0.00 C ATOM 0 HA PRO A 89 0.626 13.776 7.415 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.928 15.638 8.752 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -1.382 13.955 8.570 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.435 15.367 10.989 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.282 13.837 10.872 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.519 14.214 11.368 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.692 12.687 11.136 1.00 0.00 H new ATOM 1216 N SER A 90 0.912 16.374 7.106 1.00 0.00 N ATOM 1217 CA SER A 90 1.532 17.609 6.659 1.00 0.00 C ATOM 1218 C SER A 90 0.765 18.811 7.212 1.00 0.00 C ATOM 1219 O SER A 90 -0.318 19.136 6.727 1.00 0.00 O ATOM 1220 CB SER A 90 1.591 17.673 5.131 1.00 0.00 C ATOM 1221 OG SER A 90 2.597 18.573 4.673 1.00 0.00 O ATOM 0 H SER A 90 -0.003 16.184 6.697 1.00 0.00 H new ATOM 0 HA SER A 90 2.554 17.635 7.037 1.00 0.00 H new ATOM 0 HB2 SER A 90 1.787 16.677 4.734 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.621 17.985 4.743 1.00 0.00 H new ATOM 0 HG SER A 90 2.604 18.584 3.693 1.00 0.00 H new ATOM 1226 N LYS A 91 1.355 19.438 8.218 1.00 0.00 N ATOM 1227 CA LYS A 91 0.740 20.597 8.842 1.00 0.00 C ATOM 1228 C LYS A 91 1.695 21.789 8.746 1.00 0.00 C ATOM 1229 O LYS A 91 2.518 22.003 9.635 1.00 0.00 O ATOM 1230 CB LYS A 91 0.307 20.269 10.272 1.00 0.00 C ATOM 1231 CG LYS A 91 -0.343 21.483 10.940 1.00 0.00 C ATOM 1232 CD LYS A 91 -1.395 21.048 11.962 1.00 0.00 C ATOM 1233 CE LYS A 91 -2.042 22.261 12.632 1.00 0.00 C ATOM 1234 NZ LYS A 91 -1.771 22.256 14.087 1.00 0.00 N ATOM 0 H LYS A 91 2.253 19.165 8.617 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.172 20.875 8.314 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.396 19.436 10.261 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.172 19.949 10.853 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.421 22.084 11.433 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.806 22.115 10.182 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.161 20.449 11.469 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.932 20.414 12.718 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.656 23.178 12.187 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.118 22.250 12.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.217 23.086 14.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.161 21.389 14.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.744 22.289 14.249 1.00 0.00 H new ATOM 1244 N VAL A 92 1.554 22.534 7.660 1.00 0.00 N ATOM 1245 CA VAL A 92 2.392 23.699 7.436 1.00 0.00 C ATOM 1246 C VAL A 92 1.771 24.911 8.133 1.00 0.00 C ATOM 1247 O VAL A 92 0.601 24.882 8.510 1.00 0.00 O ATOM 1248 CB VAL A 92 2.601 23.914 5.935 1.00 0.00 C ATOM 1249 CG1 VAL A 92 3.046 22.618 5.252 1.00 0.00 C ATOM 1250 CG2 VAL A 92 1.335 24.470 5.281 1.00 0.00 C ATOM 0 H VAL A 92 0.871 22.353 6.925 1.00 0.00 H new ATOM 0 HA VAL A 92 3.381 23.546 7.869 1.00 0.00 H new ATOM 0 HB VAL A 92 3.396 24.649 5.809 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.187 22.798 4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.985 22.279 5.690 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.283 21.852 5.392 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.509 24.614 4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.514 23.768 5.423 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.078 25.425 5.739 1.00 0.00 H new ATOM 1260 N HIS A 93 2.583 25.948 8.283 1.00 0.00 N ATOM 1261 CA HIS A 93 2.127 27.167 8.927 1.00 0.00 C ATOM 1262 C HIS A 93 2.476 28.372 8.050 1.00 0.00 C ATOM 1263 O HIS A 93 3.611 28.508 7.598 1.00 0.00 O ATOM 1264 CB HIS A 93 2.698 27.279 10.342 1.00 0.00 C ATOM 1265 CG HIS A 93 1.834 26.644 11.405 1.00 0.00 C ATOM 1266 ND1 HIS A 93 2.331 25.754 12.342 1.00 0.00 N ATOM 1267 CD2 HIS A 93 0.503 26.778 11.669 1.00 0.00 C ATOM 1268 CE1 HIS A 93 1.334 25.376 13.128 1.00 0.00 C ATOM 1269 NE2 HIS A 93 0.203 26.011 12.710 1.00 0.00 N ATOM 0 H HIS A 93 3.553 25.968 7.969 1.00 0.00 H new ATOM 0 HA HIS A 93 1.043 27.142 9.036 1.00 0.00 H new ATOM 0 HB2 HIS A 93 3.683 26.813 10.363 1.00 0.00 H new ATOM 0 HB3 HIS A 93 2.838 28.333 10.584 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -0.189 27.402 11.124 1.00 0.00 H new ATOM 0 HE1 HIS A 93 1.405 24.685 13.955 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -0.722 25.913 13.128 1.00 0.00 H new ATOM 1276 N PRO A 94 1.451 29.239 7.831 1.00 0.00 N ATOM 1277 CA PRO A 94 1.636 30.427 7.017 1.00 0.00 C ATOM 1278 C PRO A 94 2.424 31.496 7.778 1.00 0.00 C ATOM 1279 O PRO A 94 2.095 31.819 8.919 1.00 0.00 O ATOM 1280 CB PRO A 94 0.232 30.875 6.646 1.00 0.00 C ATOM 1281 CG PRO A 94 -0.697 30.199 7.643 1.00 0.00 C ATOM 1282 CD PRO A 94 0.093 29.110 8.350 1.00 0.00 C ATOM 0 HA PRO A 94 2.227 30.234 6.121 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.141 31.960 6.700 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.014 30.585 5.624 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -1.077 30.924 8.363 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.561 29.774 7.132 1.00 0.00 H new ATOM 0 HD2 PRO A 94 0.069 29.242 9.432 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -0.319 28.123 8.140 1.00 0.00 H new ATOM 1287 N SER A 95 3.447 32.016 7.117 1.00 0.00 N ATOM 1288 CA SER A 95 4.282 33.042 7.717 1.00 0.00 C ATOM 1289 C SER A 95 3.427 34.245 8.118 1.00 0.00 C ATOM 1290 O SER A 95 2.427 34.544 7.467 1.00 0.00 O ATOM 1291 CB SER A 95 5.395 33.476 6.760 1.00 0.00 C ATOM 1292 OG SER A 95 6.576 33.864 7.456 1.00 0.00 O ATOM 0 H SER A 95 3.717 31.746 6.171 1.00 0.00 H new ATOM 0 HA SER A 95 4.749 32.624 8.609 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.628 32.657 6.079 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.044 34.308 6.149 1.00 0.00 H new ATOM 0 HG SER A 95 7.263 34.132 6.811 1.00 0.00 H new ATOM 1297 N GLY A 96 3.852 34.902 9.188 1.00 0.00 N ATOM 1298 CA GLY A 96 3.137 36.066 9.683 1.00 0.00 C ATOM 1299 C GLY A 96 3.352 37.273 8.767 1.00 0.00 C ATOM 1300 O GLY A 96 2.765 37.350 7.689 1.00 0.00 O ATOM 0 H GLY A 96 4.682 34.650 9.725 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.073 35.842 9.751 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.477 36.305 10.691 1.00 0.00 H new ATOM 1304 N PRO A 97 4.218 38.208 9.242 1.00 0.00 N ATOM 1305 CA PRO A 97 4.518 39.406 8.477 1.00 0.00 C ATOM 1306 C PRO A 97 5.448 39.091 7.305 1.00 0.00 C ATOM 1307 O PRO A 97 6.586 39.558 7.267 1.00 0.00 O ATOM 1308 CB PRO A 97 5.133 40.369 9.481 1.00 0.00 C ATOM 1309 CG PRO A 97 5.580 39.516 10.657 1.00 0.00 C ATOM 1310 CD PRO A 97 4.931 38.148 10.514 1.00 0.00 C ATOM 0 HA PRO A 97 3.632 39.843 8.015 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.976 40.904 9.043 1.00 0.00 H new ATOM 0 HB3 PRO A 97 4.409 41.120 9.796 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.666 39.424 10.671 1.00 0.00 H new ATOM 0 HG3 PRO A 97 5.288 39.981 11.599 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.677 37.354 10.513 1.00 0.00 H new ATOM 0 HD3 PRO A 97 4.250 37.944 11.340 1.00 0.00 H new ATOM 1315 N SER A 98 4.931 38.298 6.377 1.00 0.00 N ATOM 1316 CA SER A 98 5.701 37.915 5.206 1.00 0.00 C ATOM 1317 C SER A 98 4.814 37.147 4.225 1.00 0.00 C ATOM 1318 O SER A 98 3.924 36.404 4.637 1.00 0.00 O ATOM 1319 CB SER A 98 6.914 37.069 5.598 1.00 0.00 C ATOM 1320 OG SER A 98 8.029 37.306 4.743 1.00 0.00 O ATOM 0 H SER A 98 3.988 37.911 6.413 1.00 0.00 H new ATOM 0 HA SER A 98 6.065 38.822 4.724 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.193 37.291 6.628 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.647 36.013 5.561 1.00 0.00 H new ATOM 0 HG SER A 98 8.783 36.749 5.027 1.00 0.00 H new ATOM 1325 N SER A 99 5.087 37.351 2.945 1.00 0.00 N ATOM 1326 CA SER A 99 4.324 36.686 1.902 1.00 0.00 C ATOM 1327 C SER A 99 5.256 36.254 0.767 1.00 0.00 C ATOM 1328 O SER A 99 5.328 35.073 0.434 1.00 0.00 O ATOM 1329 CB SER A 99 3.218 37.597 1.363 1.00 0.00 C ATOM 1330 OG SER A 99 2.046 36.865 1.018 1.00 0.00 O ATOM 0 H SER A 99 5.826 37.967 2.606 1.00 0.00 H new ATOM 0 HA SER A 99 3.852 35.803 2.333 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.969 38.348 2.113 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.583 38.131 0.486 1.00 0.00 H new ATOM 0 HG SER A 99 1.363 37.481 0.680 1.00 0.00 H new ATOM 1335 N GLY A 100 5.944 37.236 0.204 1.00 0.00 N ATOM 1336 CA GLY A 100 6.868 36.973 -0.886 1.00 0.00 C ATOM 1337 C GLY A 100 6.270 37.399 -2.228 1.00 0.00 C ATOM 1338 O GLY A 100 6.740 36.979 -3.284 1.00 0.00 O ATOM 0 H GLY A 100 5.880 38.215 0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 100 7.801 37.509 -0.713 1.00 0.00 H new ATOM 0 HA3 GLY A 100 7.111 35.911 -0.913 1.00 0.00 H new TER 1342 GLY A 100