USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 724 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.121) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0924) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0252 USER MOD Single : A 12 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.5) USER MOD Single : A 16 THR OG1 : rot -150:sc= -1.91! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0926 K(o=-0.093,f=-1.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.31 K(o=-0.31,f=-2!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.129 K(o=-0.13,f=-1.5!) USER MOD Single : A 34 HIS : no HD1:sc= -2.7 K(o=-2.7,f=-3.6!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot -30:sc= -1.33 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 115:sc= 0.0107 USER MOD Single : A 41 LYS NZ :NH3+ 171:sc= -1.18 (180deg=-1.65) USER MOD Single : A 44 SER OG : rot -52:sc= 0.881 USER MOD Single : A 48 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00241) USER MOD Single : A 49 TYR OH : rot 30:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -5.19! C(o=-5.2!,f=-12!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 159:sc= -0.0352 (180deg=-0.485) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00576) USER MOD Single : A 72 LYS NZ :NH3+ 158:sc= -0.054 (180deg=-0.47) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -168:sc= -0.0047 (180deg=-0.162) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -135:sc= 0.0374 (180deg=-0.00115) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.713 6.826 4.635 1.00 28.02 N ATOM 2 CA MET A 1 33.097 6.639 3.291 1.00 28.25 C ATOM 3 C MET A 1 32.094 5.485 3.347 1.00 27.15 C ATOM 4 O MET A 1 31.041 5.538 2.740 1.00 26.99 O ATOM 5 CB MET A 1 34.190 6.317 2.269 1.00 29.35 C ATOM 6 CG MET A 1 33.686 6.642 0.862 1.00 30.23 C ATOM 7 SD MET A 1 35.077 6.619 -0.297 1.00 31.70 S ATOM 8 CE MET A 1 35.295 8.411 -0.424 1.00 32.76 C ATOM 0 H1 MET A 1 34.277 7.700 4.640 1.00 28.02 H new ATOM 0 H2 MET A 1 32.964 6.893 5.354 1.00 28.02 H new ATOM 0 H3 MET A 1 34.328 6.016 4.851 1.00 28.02 H new ATOM 0 HA MET A 1 32.583 7.554 2.996 1.00 28.25 H new ATOM 0 HB2 MET A 1 35.088 6.895 2.487 1.00 29.35 H new ATOM 0 HB3 MET A 1 34.465 5.264 2.334 1.00 29.35 H new ATOM 0 HG2 MET A 1 32.933 5.916 0.557 1.00 30.23 H new ATOM 0 HG3 MET A 1 33.207 7.621 0.853 1.00 30.23 H new ATOM 0 HE1 MET A 1 36.119 8.630 -1.103 1.00 32.76 H new ATOM 0 HE2 MET A 1 34.380 8.863 -0.806 1.00 32.76 H new ATOM 0 HE3 MET A 1 35.518 8.821 0.561 1.00 32.76 H new ATOM 20 N SER A 2 32.416 4.444 4.072 1.00 26.57 N ATOM 21 CA SER A 2 31.488 3.279 4.174 1.00 25.67 C ATOM 22 C SER A 2 31.602 2.657 5.566 1.00 24.86 C ATOM 23 O SER A 2 32.554 2.897 6.286 1.00 25.14 O ATOM 24 CB SER A 2 31.858 2.237 3.118 1.00 26.29 C ATOM 25 OG SER A 2 33.150 1.717 3.405 1.00 27.02 O ATOM 0 H SER A 2 33.284 4.351 4.599 1.00 26.57 H new ATOM 0 HA SER A 2 30.464 3.615 4.009 1.00 25.67 H new ATOM 0 HB2 SER A 2 31.123 1.432 3.111 1.00 26.29 H new ATOM 0 HB3 SER A 2 31.847 2.688 2.126 1.00 26.29 H new ATOM 0 HG SER A 2 33.390 1.047 2.731 1.00 27.02 H new ATOM 31 N LYS A 3 30.638 1.859 5.950 1.00 24.06 N ATOM 32 CA LYS A 3 30.680 1.215 7.295 1.00 23.43 C ATOM 33 C LYS A 3 29.748 0.001 7.309 1.00 22.43 C ATOM 34 O LYS A 3 30.190 -1.130 7.384 1.00 22.75 O ATOM 35 CB LYS A 3 30.227 2.220 8.357 1.00 23.23 C ATOM 36 CG LYS A 3 31.437 3.004 8.869 1.00 24.20 C ATOM 37 CD LYS A 3 31.219 3.378 10.337 1.00 24.22 C ATOM 38 CE LYS A 3 32.004 4.650 10.662 1.00 25.24 C ATOM 39 NZ LYS A 3 33.463 4.389 10.502 1.00 26.39 N ATOM 0 H LYS A 3 29.821 1.626 5.386 1.00 24.06 H new ATOM 0 HA LYS A 3 31.698 0.893 7.512 1.00 23.43 H new ATOM 0 HB2 LYS A 3 29.490 2.903 7.935 1.00 23.23 H new ATOM 0 HB3 LYS A 3 29.742 1.699 9.183 1.00 23.23 H new ATOM 0 HG2 LYS A 3 32.342 2.405 8.766 1.00 24.20 H new ATOM 0 HG3 LYS A 3 31.580 3.904 8.271 1.00 24.20 H new ATOM 0 HD2 LYS A 3 30.158 3.534 10.530 1.00 24.22 H new ATOM 0 HD3 LYS A 3 31.544 2.562 10.983 1.00 24.22 H new ATOM 0 HE2 LYS A 3 31.694 5.460 10.002 1.00 25.24 H new ATOM 0 HE3 LYS A 3 31.791 4.971 11.682 1.00 25.24 H new ATOM 0 HZ1 LYS A 3 34.003 5.192 10.882 1.00 26.39 H new ATOM 0 HZ2 LYS A 3 33.720 3.524 11.019 1.00 26.39 H new ATOM 0 HZ3 LYS A 3 33.686 4.269 9.493 1.00 26.39 H new ATOM 53 N ARG A 4 28.459 0.230 7.237 1.00 21.41 N ATOM 54 CA ARG A 4 27.483 -0.904 7.243 1.00 20.60 C ATOM 55 C ARG A 4 27.628 -1.705 8.541 1.00 19.74 C ATOM 56 O ARG A 4 27.499 -2.914 8.549 1.00 19.86 O ATOM 57 CB ARG A 4 27.748 -1.819 6.044 1.00 21.37 C ATOM 58 CG ARG A 4 26.494 -2.646 5.744 1.00 21.58 C ATOM 59 CD ARG A 4 26.634 -3.322 4.375 1.00 22.63 C ATOM 60 NE ARG A 4 25.350 -3.182 3.604 1.00 22.78 N ATOM 61 CZ ARG A 4 24.185 -3.545 4.100 1.00 22.59 C ATOM 62 NH1 ARG A 4 24.099 -4.234 5.212 1.00 22.32 N ATOM 63 NH2 ARG A 4 23.096 -3.268 3.436 1.00 22.95 N ATOM 0 H ARG A 4 28.040 1.158 7.174 1.00 21.41 H new ATOM 0 HA ARG A 4 26.471 -0.505 7.177 1.00 20.60 H new ATOM 0 HB2 ARG A 4 28.021 -1.224 5.173 1.00 21.37 H new ATOM 0 HB3 ARG A 4 28.589 -2.479 6.256 1.00 21.37 H new ATOM 0 HG2 ARG A 4 26.350 -3.399 6.519 1.00 21.58 H new ATOM 0 HG3 ARG A 4 25.613 -2.005 5.755 1.00 21.58 H new ATOM 0 HD2 ARG A 4 27.455 -2.870 3.818 1.00 22.63 H new ATOM 0 HD3 ARG A 4 26.879 -4.376 4.503 1.00 22.63 H new ATOM 0 HE ARG A 4 25.383 -2.792 2.662 1.00 22.78 H new ATOM 0 HH11 ARG A 4 24.946 -4.501 5.713 1.00 22.32 H new ATOM 0 HH12 ARG A 4 23.185 -4.503 5.576 1.00 22.32 H new ATOM 0 HH21 ARG A 4 23.154 -2.776 2.544 1.00 22.95 H new ATOM 0 HH22 ARG A 4 22.187 -3.543 3.809 1.00 22.95 H new ATOM 77 N LYS A 5 27.897 -1.037 9.633 1.00 19.13 N ATOM 78 CA LYS A 5 28.052 -1.751 10.936 1.00 18.58 C ATOM 79 C LYS A 5 26.702 -2.332 11.361 1.00 17.24 C ATOM 80 O LYS A 5 26.562 -3.527 11.543 1.00 17.49 O ATOM 81 CB LYS A 5 28.544 -0.769 12.002 1.00 18.64 C ATOM 82 CG LYS A 5 29.351 -1.525 13.059 1.00 19.33 C ATOM 83 CD LYS A 5 29.400 -0.703 14.349 1.00 19.60 C ATOM 84 CE LYS A 5 28.245 -1.118 15.264 1.00 19.26 C ATOM 85 NZ LYS A 5 28.712 -2.172 16.207 1.00 20.08 N ATOM 0 H LYS A 5 28.016 -0.025 9.679 1.00 19.13 H new ATOM 0 HA LYS A 5 28.777 -2.558 10.825 1.00 18.58 H new ATOM 0 HB2 LYS A 5 29.160 0.004 11.543 1.00 18.64 H new ATOM 0 HB3 LYS A 5 27.696 -0.266 12.467 1.00 18.64 H new ATOM 0 HG2 LYS A 5 28.897 -2.497 13.252 1.00 19.33 H new ATOM 0 HG3 LYS A 5 30.362 -1.712 12.696 1.00 19.33 H new ATOM 0 HD2 LYS A 5 30.353 -0.858 14.855 1.00 19.60 H new ATOM 0 HD3 LYS A 5 29.331 0.360 14.118 1.00 19.60 H new ATOM 0 HE2 LYS A 5 27.879 -0.255 15.819 1.00 19.26 H new ATOM 0 HE3 LYS A 5 27.412 -1.491 14.669 1.00 19.26 H new ATOM 0 HZ1 LYS A 5 27.927 -2.454 16.829 1.00 20.08 H new ATOM 0 HZ2 LYS A 5 29.041 -2.999 15.668 1.00 20.08 H new ATOM 0 HZ3 LYS A 5 29.494 -1.800 16.783 1.00 20.08 H new ATOM 99 N ALA A 6 25.709 -1.493 11.520 1.00 16.01 N ATOM 100 CA ALA A 6 24.363 -1.987 11.932 1.00 14.79 C ATOM 101 C ALA A 6 23.550 -2.359 10.678 1.00 14.25 C ATOM 102 O ALA A 6 23.942 -2.016 9.581 1.00 14.62 O ATOM 103 CB ALA A 6 23.635 -0.887 12.711 1.00 13.86 C ATOM 0 H ALA A 6 25.775 -0.485 11.381 1.00 16.01 H new ATOM 0 HA ALA A 6 24.473 -2.867 12.566 1.00 14.79 H new ATOM 0 HB1 ALA A 6 22.651 -1.246 13.013 1.00 13.86 H new ATOM 0 HB2 ALA A 6 24.213 -0.625 13.597 1.00 13.86 H new ATOM 0 HB3 ALA A 6 23.522 -0.007 12.078 1.00 13.86 H new ATOM 109 N PRO A 7 22.436 -3.049 10.863 1.00 13.67 N ATOM 110 CA PRO A 7 21.587 -3.455 9.728 1.00 13.44 C ATOM 111 C PRO A 7 21.087 -2.219 8.973 1.00 12.62 C ATOM 112 O PRO A 7 21.376 -1.097 9.344 1.00 12.23 O ATOM 113 CB PRO A 7 20.412 -4.219 10.361 1.00 13.13 C ATOM 114 CG PRO A 7 20.630 -4.234 11.894 1.00 13.23 C ATOM 115 CD PRO A 7 21.934 -3.480 12.190 1.00 13.57 C ATOM 0 HA PRO A 7 22.126 -4.068 9.006 1.00 13.44 H new ATOM 0 HB2 PRO A 7 19.466 -3.738 10.114 1.00 13.13 H new ATOM 0 HB3 PRO A 7 20.363 -5.236 9.972 1.00 13.13 H new ATOM 0 HG2 PRO A 7 19.791 -3.761 12.404 1.00 13.23 H new ATOM 0 HG3 PRO A 7 20.689 -5.258 12.261 1.00 13.23 H new ATOM 0 HD2 PRO A 7 21.756 -2.625 12.842 1.00 13.57 H new ATOM 0 HD3 PRO A 7 22.655 -4.122 12.696 1.00 13.57 H new ATOM 123 N GLN A 8 20.344 -2.421 7.915 1.00 12.72 N ATOM 124 CA GLN A 8 19.822 -1.266 7.128 1.00 12.37 C ATOM 125 C GLN A 8 18.759 -0.528 7.944 1.00 10.98 C ATOM 126 O GLN A 8 18.073 -1.116 8.759 1.00 10.44 O ATOM 127 CB GLN A 8 19.201 -1.774 5.824 1.00 13.28 C ATOM 128 CG GLN A 8 18.162 -2.853 6.138 1.00 13.18 C ATOM 129 CD GLN A 8 17.169 -2.959 4.980 1.00 14.12 C ATOM 130 OE1 GLN A 8 17.506 -2.670 3.848 1.00 15.05 O ATOM 131 NE2 GLN A 8 15.951 -3.361 5.215 1.00 14.26 N ATOM 0 H GLN A 8 20.076 -3.340 7.562 1.00 12.72 H new ATOM 0 HA GLN A 8 20.642 -0.585 6.900 1.00 12.37 H new ATOM 0 HB2 GLN A 8 18.733 -0.949 5.287 1.00 13.28 H new ATOM 0 HB3 GLN A 8 19.976 -2.179 5.174 1.00 13.28 H new ATOM 0 HG2 GLN A 8 18.655 -3.812 6.297 1.00 13.18 H new ATOM 0 HG3 GLN A 8 17.636 -2.608 7.061 1.00 13.18 H new ATOM 0 HE21 GLN A 8 15.668 -3.603 6.165 1.00 14.26 H new ATOM 0 HE22 GLN A 8 15.281 -3.433 4.449 1.00 14.26 H new ATOM 140 N GLU A 9 18.622 0.756 7.731 1.00 10.78 N ATOM 141 CA GLU A 9 17.606 1.543 8.489 1.00 9.83 C ATOM 142 C GLU A 9 16.943 2.557 7.551 1.00 9.84 C ATOM 143 O GLU A 9 17.238 3.738 7.588 1.00 10.44 O ATOM 144 CB GLU A 9 18.290 2.279 9.643 1.00 10.04 C ATOM 145 CG GLU A 9 17.257 2.608 10.724 1.00 9.71 C ATOM 146 CD GLU A 9 17.672 3.887 11.454 1.00 10.60 C ATOM 147 OE1 GLU A 9 18.603 3.822 12.241 1.00 11.07 O ATOM 148 OE2 GLU A 9 17.051 4.909 11.216 1.00 11.16 O ATOM 0 H GLU A 9 19.173 1.294 7.062 1.00 10.78 H new ATOM 0 HA GLU A 9 16.847 0.871 8.889 1.00 9.83 H new ATOM 0 HB2 GLU A 9 19.085 1.662 10.061 1.00 10.04 H new ATOM 0 HB3 GLU A 9 18.755 3.195 9.279 1.00 10.04 H new ATOM 0 HG2 GLU A 9 16.273 2.736 10.274 1.00 9.71 H new ATOM 0 HG3 GLU A 9 17.179 1.782 11.431 1.00 9.71 H new ATOM 155 N THR A 10 16.048 2.101 6.712 1.00 9.62 N ATOM 156 CA THR A 10 15.358 3.028 5.767 1.00 10.00 C ATOM 157 C THR A 10 13.857 2.734 5.774 1.00 8.77 C ATOM 158 O THR A 10 13.066 3.512 6.275 1.00 8.39 O ATOM 159 CB THR A 10 15.912 2.823 4.355 1.00 11.51 C ATOM 160 OG1 THR A 10 16.249 1.454 4.174 1.00 11.53 O ATOM 161 CG2 THR A 10 17.159 3.688 4.164 1.00 12.70 C ATOM 0 H THR A 10 15.765 1.124 6.641 1.00 9.62 H new ATOM 0 HA THR A 10 15.529 4.059 6.077 1.00 10.00 H new ATOM 0 HB THR A 10 15.158 3.111 3.623 1.00 11.51 H new ATOM 0 HG1 THR A 10 16.602 1.321 3.270 1.00 11.53 H new ATOM 0 HG21 THR A 10 17.553 3.541 3.158 1.00 12.70 H new ATOM 0 HG22 THR A 10 16.899 4.737 4.302 1.00 12.70 H new ATOM 0 HG23 THR A 10 17.915 3.402 4.895 1.00 12.70 H new ATOM 169 N LEU A 11 13.462 1.615 5.223 1.00 8.58 N ATOM 170 CA LEU A 11 12.013 1.259 5.193 1.00 7.77 C ATOM 171 C LEU A 11 11.649 0.513 6.479 1.00 5.77 C ATOM 172 O LEU A 11 12.501 -0.051 7.139 1.00 5.76 O ATOM 173 CB LEU A 11 11.732 0.363 3.984 1.00 8.95 C ATOM 174 CG LEU A 11 11.287 1.225 2.801 1.00 10.57 C ATOM 175 CD1 LEU A 11 12.509 1.890 2.165 1.00 11.73 C ATOM 176 CD2 LEU A 11 10.591 0.344 1.764 1.00 11.55 C ATOM 0 H LEU A 11 14.083 0.931 4.791 1.00 8.58 H new ATOM 0 HA LEU A 11 11.415 2.167 5.116 1.00 7.77 H new ATOM 0 HB2 LEU A 11 12.627 -0.201 3.720 1.00 8.95 H new ATOM 0 HB3 LEU A 11 10.958 -0.364 4.229 1.00 8.95 H new ATOM 0 HG LEU A 11 10.596 1.993 3.150 1.00 10.57 H new ATOM 0 HD11 LEU A 11 12.192 2.504 1.322 1.00 11.73 H new ATOM 0 HD12 LEU A 11 13.007 2.518 2.904 1.00 11.73 H new ATOM 0 HD13 LEU A 11 13.200 1.123 1.815 1.00 11.73 H new ATOM 0 HD21 LEU A 11 10.273 0.957 0.920 1.00 11.55 H new ATOM 0 HD22 LEU A 11 11.282 -0.423 1.415 1.00 11.55 H new ATOM 0 HD23 LEU A 11 9.720 -0.131 2.216 1.00 11.55 H new ATOM 188 N ASN A 12 10.390 0.510 6.837 1.00 4.61 N ATOM 189 CA ASN A 12 9.962 -0.196 8.080 1.00 3.03 C ATOM 190 C ASN A 12 8.527 -0.698 7.916 1.00 2.44 C ATOM 191 O ASN A 12 8.240 -1.862 8.121 1.00 3.42 O ATOM 192 CB ASN A 12 10.030 0.769 9.265 1.00 3.24 C ATOM 193 CG ASN A 12 11.459 1.294 9.416 1.00 4.56 C ATOM 194 OD1 ASN A 12 12.340 0.577 9.845 1.00 5.02 O ATOM 195 ND2 ASN A 12 11.727 2.526 9.079 1.00 5.84 N ATOM 0 H ASN A 12 9.639 0.968 6.320 1.00 4.61 H new ATOM 0 HA ASN A 12 10.625 -1.042 8.261 1.00 3.03 H new ATOM 0 HB2 ASN A 12 9.341 1.599 9.111 1.00 3.24 H new ATOM 0 HB3 ASN A 12 9.719 0.262 10.179 1.00 3.24 H new ATOM 0 HD21 ASN A 12 12.676 2.886 9.176 1.00 5.84 H new ATOM 0 HD22 ASN A 12 10.987 3.129 8.719 1.00 5.84 H new ATOM 202 N GLY A 13 7.621 0.177 7.553 1.00 2.04 N ATOM 203 CA GLY A 13 6.199 -0.230 7.377 1.00 3.02 C ATOM 204 C GLY A 13 6.082 -1.355 6.353 1.00 2.88 C ATOM 205 O GLY A 13 5.158 -2.147 6.398 1.00 4.02 O ATOM 0 H GLY A 13 7.811 1.162 7.371 1.00 2.04 H new ATOM 0 HA2 GLY A 13 5.788 -0.557 8.332 1.00 3.02 H new ATOM 0 HA3 GLY A 13 5.608 0.627 7.053 1.00 3.02 H new ATOM 209 N GLY A 14 6.978 -1.402 5.403 1.00 1.90 N ATOM 210 CA GLY A 14 6.881 -2.443 4.339 1.00 1.74 C ATOM 211 C GLY A 14 5.638 -2.114 3.513 1.00 1.50 C ATOM 212 O GLY A 14 4.928 -2.981 3.043 1.00 1.60 O ATOM 0 H GLY A 14 7.771 -0.766 5.318 1.00 1.90 H new ATOM 0 HA2 GLY A 14 7.773 -2.440 3.713 1.00 1.74 H new ATOM 0 HA3 GLY A 14 6.802 -3.438 4.777 1.00 1.74 H new ATOM 216 N ILE A 15 5.366 -0.843 3.374 1.00 1.24 N ATOM 217 CA ILE A 15 4.171 -0.384 2.628 1.00 1.03 C ATOM 218 C ILE A 15 4.506 -0.250 1.159 1.00 0.79 C ATOM 219 O ILE A 15 3.910 -0.878 0.311 1.00 0.94 O ATOM 220 CB ILE A 15 3.760 0.998 3.124 1.00 0.84 C ATOM 221 CG1 ILE A 15 3.874 1.105 4.653 1.00 0.93 C ATOM 222 CG2 ILE A 15 2.324 1.234 2.721 1.00 0.81 C ATOM 223 CD1 ILE A 15 3.321 2.460 5.096 1.00 1.20 C ATOM 0 H ILE A 15 5.939 -0.091 3.757 1.00 1.24 H new ATOM 0 HA ILE A 15 3.370 -1.108 2.778 1.00 1.03 H new ATOM 0 HB ILE A 15 4.424 1.742 2.684 1.00 0.84 H new ATOM 0 HG12 ILE A 15 3.319 0.297 5.130 1.00 0.93 H new ATOM 0 HG13 ILE A 15 4.914 1.003 4.962 1.00 0.93 H new ATOM 0 HG21 ILE A 15 2.006 2.218 3.065 1.00 0.81 H new ATOM 0 HG22 ILE A 15 2.238 1.184 1.636 1.00 0.81 H new ATOM 0 HG23 ILE A 15 1.690 0.470 3.171 1.00 0.81 H new ATOM 0 HD11 ILE A 15 3.397 2.547 6.180 1.00 1.20 H new ATOM 0 HD12 ILE A 15 3.896 3.259 4.627 1.00 1.20 H new ATOM 0 HD13 ILE A 15 2.276 2.542 4.798 1.00 1.20 H new ATOM 235 N THR A 16 5.441 0.603 0.865 1.00 0.56 N ATOM 236 CA THR A 16 5.822 0.840 -0.548 1.00 0.43 C ATOM 237 C THR A 16 6.603 -0.360 -1.091 1.00 0.45 C ATOM 238 O THR A 16 6.563 -0.652 -2.271 1.00 0.48 O ATOM 239 CB THR A 16 6.683 2.106 -0.658 1.00 0.51 C ATOM 240 OG1 THR A 16 7.304 2.145 -1.938 1.00 0.68 O ATOM 241 CG2 THR A 16 7.761 2.112 0.434 1.00 0.74 C ATOM 0 H THR A 16 5.962 1.151 1.550 1.00 0.56 H new ATOM 0 HA THR A 16 4.914 0.973 -1.136 1.00 0.43 H new ATOM 0 HB THR A 16 6.046 2.981 -0.530 1.00 0.51 H new ATOM 0 HG1 THR A 16 8.161 2.615 -1.872 1.00 0.68 H new ATOM 0 HG21 THR A 16 8.365 3.015 0.345 1.00 0.74 H new ATOM 0 HG22 THR A 16 7.286 2.089 1.415 1.00 0.74 H new ATOM 0 HG23 THR A 16 8.400 1.236 0.320 1.00 0.74 H new ATOM 249 N ASP A 17 7.317 -1.051 -0.239 1.00 0.50 N ATOM 250 CA ASP A 17 8.108 -2.231 -0.702 1.00 0.58 C ATOM 251 C ASP A 17 7.173 -3.421 -0.923 1.00 0.56 C ATOM 252 O ASP A 17 7.309 -4.156 -1.883 1.00 0.71 O ATOM 253 CB ASP A 17 9.152 -2.593 0.356 1.00 0.70 C ATOM 254 CG ASP A 17 10.142 -3.603 -0.226 1.00 1.70 C ATOM 255 OD1 ASP A 17 9.703 -4.486 -0.945 1.00 3.10 O ATOM 256 OD2 ASP A 17 11.321 -3.477 0.056 1.00 2.27 O ATOM 0 H ASP A 17 7.386 -0.849 0.758 1.00 0.50 H new ATOM 0 HA ASP A 17 8.609 -1.985 -1.638 1.00 0.58 H new ATOM 0 HB2 ASP A 17 9.680 -1.697 0.682 1.00 0.70 H new ATOM 0 HB3 ASP A 17 8.663 -3.013 1.235 1.00 0.70 H new ATOM 261 N MET A 18 6.229 -3.616 -0.039 1.00 0.58 N ATOM 262 CA MET A 18 5.280 -4.759 -0.187 1.00 0.61 C ATOM 263 C MET A 18 4.123 -4.375 -1.121 1.00 0.58 C ATOM 264 O MET A 18 3.379 -5.230 -1.571 1.00 0.59 O ATOM 265 CB MET A 18 4.722 -5.133 1.186 1.00 0.71 C ATOM 266 CG MET A 18 4.458 -6.640 1.240 1.00 1.68 C ATOM 267 SD MET A 18 2.765 -6.979 0.694 1.00 3.74 S ATOM 268 CE MET A 18 3.122 -8.499 -0.221 1.00 4.74 C ATOM 0 H MET A 18 6.074 -3.031 0.782 1.00 0.58 H new ATOM 0 HA MET A 18 5.812 -5.608 -0.616 1.00 0.61 H new ATOM 0 HB2 MET A 18 5.428 -4.849 1.966 1.00 0.71 H new ATOM 0 HB3 MET A 18 3.799 -4.585 1.376 1.00 0.71 H new ATOM 0 HG2 MET A 18 5.169 -7.167 0.603 1.00 1.68 H new ATOM 0 HG3 MET A 18 4.604 -7.009 2.255 1.00 1.68 H new ATOM 0 HE1 MET A 18 2.200 -8.890 -0.652 1.00 4.74 H new ATOM 0 HE2 MET A 18 3.833 -8.285 -1.019 1.00 4.74 H new ATOM 0 HE3 MET A 18 3.548 -9.239 0.456 1.00 4.74 H new ATOM 278 N LEU A 19 3.972 -3.108 -1.439 1.00 0.59 N ATOM 279 CA LEU A 19 2.871 -2.698 -2.357 1.00 0.61 C ATOM 280 C LEU A 19 3.376 -2.862 -3.782 1.00 0.60 C ATOM 281 O LEU A 19 2.719 -3.430 -4.635 1.00 0.64 O ATOM 282 CB LEU A 19 2.496 -1.237 -2.117 1.00 0.63 C ATOM 283 CG LEU A 19 1.454 -1.145 -1.000 1.00 0.70 C ATOM 284 CD1 LEU A 19 1.152 0.323 -0.712 1.00 1.73 C ATOM 285 CD2 LEU A 19 0.164 -1.844 -1.434 1.00 1.63 C ATOM 0 H LEU A 19 4.563 -2.348 -1.102 1.00 0.59 H new ATOM 0 HA LEU A 19 1.988 -3.312 -2.181 1.00 0.61 H new ATOM 0 HB2 LEU A 19 3.383 -0.664 -1.847 1.00 0.63 H new ATOM 0 HB3 LEU A 19 2.100 -0.799 -3.033 1.00 0.63 H new ATOM 0 HG LEU A 19 1.845 -1.628 -0.104 1.00 0.70 H new ATOM 0 HD11 LEU A 19 0.410 0.393 0.083 1.00 1.73 H new ATOM 0 HD12 LEU A 19 2.066 0.828 -0.401 1.00 1.73 H new ATOM 0 HD13 LEU A 19 0.764 0.798 -1.613 1.00 1.73 H new ATOM 0 HD21 LEU A 19 -0.574 -1.775 -0.635 1.00 1.63 H new ATOM 0 HD22 LEU A 19 -0.227 -1.363 -2.331 1.00 1.63 H new ATOM 0 HD23 LEU A 19 0.372 -2.893 -1.646 1.00 1.63 H new ATOM 297 N VAL A 20 4.566 -2.383 -4.029 1.00 0.60 N ATOM 298 CA VAL A 20 5.170 -2.513 -5.379 1.00 0.64 C ATOM 299 C VAL A 20 5.380 -3.999 -5.673 1.00 0.66 C ATOM 300 O VAL A 20 5.301 -4.429 -6.805 1.00 0.68 O ATOM 301 CB VAL A 20 6.511 -1.780 -5.402 1.00 0.64 C ATOM 302 CG1 VAL A 20 7.107 -1.845 -6.804 1.00 0.77 C ATOM 303 CG2 VAL A 20 6.297 -0.316 -5.010 1.00 0.60 C ATOM 0 H VAL A 20 5.148 -1.903 -3.343 1.00 0.60 H new ATOM 0 HA VAL A 20 4.516 -2.078 -6.134 1.00 0.64 H new ATOM 0 HB VAL A 20 7.193 -2.253 -4.696 1.00 0.64 H new ATOM 0 HG11 VAL A 20 8.063 -1.322 -6.818 1.00 0.77 H new ATOM 0 HG12 VAL A 20 7.260 -2.887 -7.087 1.00 0.77 H new ATOM 0 HG13 VAL A 20 6.425 -1.373 -7.511 1.00 0.77 H new ATOM 0 HG21 VAL A 20 7.252 0.208 -5.026 1.00 0.60 H new ATOM 0 HG22 VAL A 20 5.613 0.154 -5.717 1.00 0.60 H new ATOM 0 HG23 VAL A 20 5.872 -0.266 -4.007 1.00 0.60 H new ATOM 313 N GLU A 21 5.624 -4.785 -4.650 1.00 0.73 N ATOM 314 CA GLU A 21 5.809 -6.250 -4.854 1.00 0.76 C ATOM 315 C GLU A 21 4.460 -6.838 -5.266 1.00 0.68 C ATOM 316 O GLU A 21 4.381 -7.756 -6.067 1.00 0.60 O ATOM 317 CB GLU A 21 6.282 -6.898 -3.551 1.00 0.88 C ATOM 318 CG GLU A 21 6.901 -8.263 -3.855 1.00 1.22 C ATOM 319 CD GLU A 21 8.411 -8.107 -4.054 1.00 2.47 C ATOM 320 OE1 GLU A 21 9.040 -7.505 -3.199 1.00 3.26 O ATOM 321 OE2 GLU A 21 8.911 -8.591 -5.055 1.00 3.77 O ATOM 0 H GLU A 21 5.702 -4.470 -3.683 1.00 0.73 H new ATOM 0 HA GLU A 21 6.557 -6.437 -5.624 1.00 0.76 H new ATOM 0 HB2 GLU A 21 7.013 -6.257 -3.058 1.00 0.88 H new ATOM 0 HB3 GLU A 21 5.444 -7.012 -2.864 1.00 0.88 H new ATOM 0 HG2 GLU A 21 6.701 -8.955 -3.037 1.00 1.22 H new ATOM 0 HG3 GLU A 21 6.448 -8.688 -4.750 1.00 1.22 H new ATOM 328 N LEU A 22 3.387 -6.291 -4.737 1.00 0.83 N ATOM 329 CA LEU A 22 2.023 -6.778 -5.105 1.00 0.86 C ATOM 330 C LEU A 22 1.872 -6.701 -6.626 1.00 0.69 C ATOM 331 O LEU A 22 1.341 -7.592 -7.262 1.00 0.66 O ATOM 332 CB LEU A 22 0.967 -5.876 -4.448 1.00 1.31 C ATOM 333 CG LEU A 22 -0.345 -6.642 -4.202 1.00 1.07 C ATOM 334 CD1 LEU A 22 -0.808 -7.358 -5.474 1.00 1.98 C ATOM 335 CD2 LEU A 22 -0.146 -7.669 -3.092 1.00 2.43 C ATOM 0 H LEU A 22 3.402 -5.525 -4.064 1.00 0.83 H new ATOM 0 HA LEU A 22 1.888 -7.804 -4.764 1.00 0.86 H new ATOM 0 HB2 LEU A 22 1.350 -5.493 -3.502 1.00 1.31 H new ATOM 0 HB3 LEU A 22 0.774 -5.014 -5.086 1.00 1.31 H new ATOM 0 HG LEU A 22 -1.108 -5.921 -3.908 1.00 1.07 H new ATOM 0 HD11 LEU A 22 -1.737 -7.892 -5.273 1.00 1.98 H new ATOM 0 HD12 LEU A 22 -0.974 -6.626 -6.264 1.00 1.98 H new ATOM 0 HD13 LEU A 22 -0.043 -8.067 -5.791 1.00 1.98 H new ATOM 0 HD21 LEU A 22 -1.079 -8.207 -2.923 1.00 2.43 H new ATOM 0 HD22 LEU A 22 0.632 -8.374 -3.384 1.00 2.43 H new ATOM 0 HD23 LEU A 22 0.151 -7.160 -2.175 1.00 2.43 H new ATOM 347 N ALA A 23 2.363 -5.637 -7.205 1.00 0.80 N ATOM 348 CA ALA A 23 2.290 -5.472 -8.683 1.00 0.94 C ATOM 349 C ALA A 23 3.398 -6.305 -9.343 1.00 0.91 C ATOM 350 O ALA A 23 3.296 -6.691 -10.491 1.00 1.08 O ATOM 351 CB ALA A 23 2.485 -3.995 -9.029 1.00 1.19 C ATOM 0 H ALA A 23 2.816 -4.869 -6.710 1.00 0.80 H new ATOM 0 HA ALA A 23 1.319 -5.809 -9.047 1.00 0.94 H new ATOM 0 HB1 ALA A 23 2.433 -3.865 -10.110 1.00 1.19 H new ATOM 0 HB2 ALA A 23 1.702 -3.404 -8.554 1.00 1.19 H new ATOM 0 HB3 ALA A 23 3.459 -3.663 -8.670 1.00 1.19 H new ATOM 357 N ASN A 24 4.454 -6.590 -8.616 1.00 0.79 N ATOM 358 CA ASN A 24 5.573 -7.402 -9.179 1.00 0.90 C ATOM 359 C ASN A 24 5.172 -8.884 -9.262 1.00 0.96 C ATOM 360 O ASN A 24 5.926 -9.693 -9.765 1.00 1.19 O ATOM 361 CB ASN A 24 6.802 -7.260 -8.278 1.00 0.89 C ATOM 362 CG ASN A 24 8.027 -7.834 -8.991 1.00 1.66 C ATOM 363 OD1 ASN A 24 8.090 -7.843 -10.205 1.00 2.35 O ATOM 364 ND2 ASN A 24 9.013 -8.315 -8.284 1.00 2.45 N ATOM 0 H ASN A 24 4.586 -6.291 -7.650 1.00 0.79 H new ATOM 0 HA ASN A 24 5.801 -7.042 -10.182 1.00 0.90 H new ATOM 0 HB2 ASN A 24 6.968 -6.211 -8.035 1.00 0.89 H new ATOM 0 HB3 ASN A 24 6.638 -7.783 -7.336 1.00 0.89 H new ATOM 0 HD21 ASN A 24 9.835 -8.698 -8.750 1.00 2.45 H new ATOM 0 HD22 ASN A 24 8.961 -8.308 -7.265 1.00 2.45 H new ATOM 371 N PHE A 25 3.995 -9.244 -8.768 1.00 0.86 N ATOM 372 CA PHE A 25 3.508 -10.674 -8.806 1.00 1.00 C ATOM 373 C PHE A 25 3.913 -11.374 -10.116 1.00 1.34 C ATOM 374 O PHE A 25 4.256 -12.542 -10.127 1.00 1.62 O ATOM 375 CB PHE A 25 1.975 -10.662 -8.710 1.00 0.89 C ATOM 376 CG PHE A 25 1.519 -10.808 -7.273 1.00 0.86 C ATOM 377 CD1 PHE A 25 2.169 -10.118 -6.240 1.00 2.27 C ATOM 378 CD2 PHE A 25 0.425 -11.630 -6.981 1.00 1.60 C ATOM 379 CE1 PHE A 25 1.726 -10.255 -4.921 1.00 2.61 C ATOM 380 CE2 PHE A 25 -0.019 -11.765 -5.662 1.00 1.71 C ATOM 381 CZ PHE A 25 0.632 -11.078 -4.630 1.00 1.66 C ATOM 0 H PHE A 25 3.342 -8.593 -8.333 1.00 0.86 H new ATOM 0 HA PHE A 25 3.957 -11.218 -7.975 1.00 1.00 H new ATOM 0 HB2 PHE A 25 1.589 -9.731 -9.125 1.00 0.89 H new ATOM 0 HB3 PHE A 25 1.563 -11.474 -9.310 1.00 0.89 H new ATOM 0 HD1 PHE A 25 3.012 -9.481 -6.463 1.00 2.27 H new ATOM 0 HD2 PHE A 25 -0.077 -12.161 -7.776 1.00 1.60 H new ATOM 0 HE1 PHE A 25 2.229 -9.725 -4.126 1.00 2.61 H new ATOM 0 HE2 PHE A 25 -0.864 -12.399 -5.439 1.00 1.71 H new ATOM 0 HZ PHE A 25 0.290 -11.183 -3.611 1.00 1.66 H new ATOM 391 N GLU A 26 3.885 -10.659 -11.214 1.00 1.45 N ATOM 392 CA GLU A 26 4.275 -11.259 -12.529 1.00 1.85 C ATOM 393 C GLU A 26 3.437 -12.510 -12.819 1.00 1.79 C ATOM 394 O GLU A 26 3.841 -13.371 -13.578 1.00 2.24 O ATOM 395 CB GLU A 26 5.756 -11.642 -12.491 1.00 2.26 C ATOM 396 CG GLU A 26 6.314 -11.665 -13.916 1.00 2.98 C ATOM 397 CD GLU A 26 6.348 -10.241 -14.474 1.00 2.35 C ATOM 398 OE1 GLU A 26 7.294 -9.532 -14.175 1.00 2.90 O ATOM 399 OE2 GLU A 26 5.428 -9.885 -15.191 1.00 2.93 O ATOM 0 H GLU A 26 3.607 -9.679 -11.256 1.00 1.45 H new ATOM 0 HA GLU A 26 4.098 -10.526 -13.316 1.00 1.85 H new ATOM 0 HB2 GLU A 26 6.312 -10.928 -11.883 1.00 2.26 H new ATOM 0 HB3 GLU A 26 5.878 -12.620 -12.026 1.00 2.26 H new ATOM 0 HG2 GLU A 26 7.317 -12.092 -13.918 1.00 2.98 H new ATOM 0 HG3 GLU A 26 5.696 -12.301 -14.550 1.00 2.98 H new ATOM 406 N LYS A 27 2.275 -12.616 -12.225 1.00 1.42 N ATOM 407 CA LYS A 27 1.412 -13.809 -12.466 1.00 1.47 C ATOM 408 C LYS A 27 -0.054 -13.414 -12.286 1.00 1.27 C ATOM 409 O LYS A 27 -0.820 -13.387 -13.231 1.00 1.42 O ATOM 410 CB LYS A 27 1.771 -14.910 -11.467 1.00 1.80 C ATOM 411 CG LYS A 27 3.052 -15.613 -11.920 1.00 2.44 C ATOM 412 CD LYS A 27 3.041 -17.062 -11.430 1.00 3.00 C ATOM 413 CE LYS A 27 3.671 -17.134 -10.037 1.00 4.30 C ATOM 414 NZ LYS A 27 3.858 -18.561 -9.651 1.00 5.12 N ATOM 0 H LYS A 27 1.887 -11.925 -11.582 1.00 1.42 H new ATOM 0 HA LYS A 27 1.570 -14.177 -13.480 1.00 1.47 H new ATOM 0 HB2 LYS A 27 1.910 -14.483 -10.474 1.00 1.80 H new ATOM 0 HB3 LYS A 27 0.955 -15.629 -11.394 1.00 1.80 H new ATOM 0 HG2 LYS A 27 3.129 -15.586 -13.007 1.00 2.44 H new ATOM 0 HG3 LYS A 27 3.924 -15.092 -11.526 1.00 2.44 H new ATOM 0 HD2 LYS A 27 2.019 -17.439 -11.398 1.00 3.00 H new ATOM 0 HD3 LYS A 27 3.593 -17.696 -12.124 1.00 3.00 H new ATOM 0 HE2 LYS A 27 4.630 -16.616 -10.032 1.00 4.30 H new ATOM 0 HE3 LYS A 27 3.033 -16.630 -9.311 1.00 4.30 H new ATOM 0 HZ1 LYS A 27 4.286 -18.611 -8.705 1.00 5.12 H new ATOM 0 HZ2 LYS A 27 2.936 -19.041 -9.640 1.00 5.12 H new ATOM 0 HZ3 LYS A 27 4.483 -19.028 -10.339 1.00 5.12 H new ATOM 428 N ASN A 28 -0.442 -13.102 -11.078 1.00 1.25 N ATOM 429 CA ASN A 28 -1.854 -12.699 -10.819 1.00 1.54 C ATOM 430 C ASN A 28 -2.029 -11.224 -11.197 1.00 1.64 C ATOM 431 O ASN A 28 -3.091 -10.802 -11.612 1.00 2.24 O ATOM 432 CB ASN A 28 -2.174 -12.900 -9.329 1.00 1.82 C ATOM 433 CG ASN A 28 -3.369 -13.847 -9.174 1.00 2.37 C ATOM 434 OD1 ASN A 28 -3.618 -14.674 -10.028 1.00 3.10 O ATOM 435 ND2 ASN A 28 -4.122 -13.758 -8.113 1.00 3.07 N ATOM 0 H ASN A 28 0.162 -13.109 -10.256 1.00 1.25 H new ATOM 0 HA ASN A 28 -2.533 -13.309 -11.415 1.00 1.54 H new ATOM 0 HB2 ASN A 28 -1.305 -13.310 -8.814 1.00 1.82 H new ATOM 0 HB3 ASN A 28 -2.397 -11.940 -8.864 1.00 1.82 H new ATOM 0 HD21 ASN A 28 -4.920 -14.383 -8.000 1.00 3.07 H new ATOM 0 HD22 ASN A 28 -3.913 -13.063 -7.396 1.00 3.07 H new ATOM 442 N VAL A 29 -0.988 -10.444 -11.054 1.00 1.42 N ATOM 443 CA VAL A 29 -1.070 -8.999 -11.397 1.00 1.81 C ATOM 444 C VAL A 29 -0.205 -8.730 -12.633 1.00 2.32 C ATOM 445 O VAL A 29 0.524 -7.758 -12.693 1.00 3.27 O ATOM 446 CB VAL A 29 -0.551 -8.183 -10.208 1.00 1.57 C ATOM 447 CG1 VAL A 29 -0.735 -6.688 -10.481 1.00 2.09 C ATOM 448 CG2 VAL A 29 -1.329 -8.573 -8.946 1.00 1.41 C ATOM 0 H VAL A 29 -0.078 -10.753 -10.711 1.00 1.42 H new ATOM 0 HA VAL A 29 -2.100 -8.716 -11.612 1.00 1.81 H new ATOM 0 HB VAL A 29 0.509 -8.391 -10.064 1.00 1.57 H new ATOM 0 HG11 VAL A 29 -0.364 -6.115 -9.632 1.00 2.09 H new ATOM 0 HG12 VAL A 29 -0.179 -6.411 -11.377 1.00 2.09 H new ATOM 0 HG13 VAL A 29 -1.793 -6.473 -10.629 1.00 2.09 H new ATOM 0 HG21 VAL A 29 -0.962 -7.994 -8.099 1.00 1.41 H new ATOM 0 HG22 VAL A 29 -2.389 -8.367 -9.094 1.00 1.41 H new ATOM 0 HG23 VAL A 29 -1.190 -9.636 -8.747 1.00 1.41 H new ATOM 458 N SER A 30 -0.277 -9.597 -13.615 1.00 2.25 N ATOM 459 CA SER A 30 0.544 -9.414 -14.849 1.00 2.89 C ATOM 460 C SER A 30 -0.232 -8.592 -15.887 1.00 3.09 C ATOM 461 O SER A 30 0.006 -7.410 -16.052 1.00 3.92 O ATOM 462 CB SER A 30 0.893 -10.785 -15.433 1.00 3.41 C ATOM 463 OG SER A 30 1.507 -10.613 -16.703 1.00 4.20 O ATOM 0 H SER A 30 -0.872 -10.426 -13.613 1.00 2.25 H new ATOM 0 HA SER A 30 1.459 -8.880 -14.593 1.00 2.89 H new ATOM 0 HB2 SER A 30 1.565 -11.319 -14.761 1.00 3.41 H new ATOM 0 HB3 SER A 30 -0.008 -11.391 -15.531 1.00 3.41 H new ATOM 0 HG SER A 30 1.733 -11.490 -17.078 1.00 4.20 H new ATOM 469 N GLN A 31 -1.147 -9.209 -16.600 1.00 3.30 N ATOM 470 CA GLN A 31 -1.921 -8.463 -17.640 1.00 3.87 C ATOM 471 C GLN A 31 -3.415 -8.782 -17.519 1.00 4.02 C ATOM 472 O GLN A 31 -3.800 -9.855 -17.095 1.00 4.92 O ATOM 473 CB GLN A 31 -1.428 -8.877 -19.028 1.00 5.03 C ATOM 474 CG GLN A 31 -1.828 -7.813 -20.053 1.00 5.69 C ATOM 475 CD GLN A 31 -0.790 -6.688 -20.055 1.00 6.34 C ATOM 476 OE1 GLN A 31 0.389 -6.936 -19.906 1.00 6.90 O ATOM 477 NE2 GLN A 31 -1.183 -5.455 -20.220 1.00 7.07 N ATOM 0 H GLN A 31 -1.389 -10.195 -16.505 1.00 3.30 H new ATOM 0 HA GLN A 31 -1.773 -7.393 -17.495 1.00 3.87 H new ATOM 0 HB2 GLN A 31 -0.345 -8.999 -19.019 1.00 5.03 H new ATOM 0 HB3 GLN A 31 -1.855 -9.841 -19.304 1.00 5.03 H new ATOM 0 HG2 GLN A 31 -1.899 -8.258 -21.046 1.00 5.69 H new ATOM 0 HG3 GLN A 31 -2.813 -7.413 -19.812 1.00 5.69 H new ATOM 0 HE21 GLN A 31 -2.174 -5.248 -20.345 1.00 7.07 H new ATOM 0 HE22 GLN A 31 -0.499 -4.698 -20.224 1.00 7.07 H new ATOM 486 N ALA A 32 -4.259 -7.843 -17.883 1.00 3.77 N ATOM 487 CA ALA A 32 -5.740 -8.051 -17.796 1.00 4.11 C ATOM 488 C ALA A 32 -6.139 -8.035 -16.329 1.00 3.15 C ATOM 489 O ALA A 32 -7.010 -8.765 -15.894 1.00 3.65 O ATOM 490 CB ALA A 32 -6.141 -9.390 -18.431 1.00 5.29 C ATOM 0 H ALA A 32 -3.979 -6.930 -18.241 1.00 3.77 H new ATOM 0 HA ALA A 32 -6.251 -7.256 -18.339 1.00 4.11 H new ATOM 0 HB1 ALA A 32 -7.221 -9.519 -18.356 1.00 5.29 H new ATOM 0 HB2 ALA A 32 -5.847 -9.398 -19.480 1.00 5.29 H new ATOM 0 HB3 ALA A 32 -5.641 -10.205 -17.908 1.00 5.29 H new ATOM 496 N ILE A 33 -5.482 -7.210 -15.563 1.00 2.21 N ATOM 497 CA ILE A 33 -5.775 -7.126 -14.108 1.00 1.62 C ATOM 498 C ILE A 33 -6.841 -6.059 -13.855 1.00 1.82 C ATOM 499 O ILE A 33 -6.917 -5.066 -14.553 1.00 2.64 O ATOM 500 CB ILE A 33 -4.505 -6.778 -13.328 1.00 2.07 C ATOM 501 CG1 ILE A 33 -3.250 -7.351 -14.013 1.00 2.35 C ATOM 502 CG2 ILE A 33 -4.625 -7.386 -11.937 1.00 3.17 C ATOM 503 CD1 ILE A 33 -2.564 -6.249 -14.825 1.00 2.91 C ATOM 0 H ILE A 33 -4.746 -6.583 -15.889 1.00 2.21 H new ATOM 0 HA ILE A 33 -6.143 -8.095 -13.769 1.00 1.62 H new ATOM 0 HB ILE A 33 -4.403 -5.694 -13.284 1.00 2.07 H new ATOM 0 HG12 ILE A 33 -2.563 -7.747 -13.265 1.00 2.35 H new ATOM 0 HG13 ILE A 33 -3.525 -8.180 -14.665 1.00 2.35 H new ATOM 0 HG21 ILE A 33 -3.731 -7.152 -11.359 1.00 3.17 H new ATOM 0 HG22 ILE A 33 -5.500 -6.974 -11.434 1.00 3.17 H new ATOM 0 HG23 ILE A 33 -4.730 -8.468 -12.021 1.00 3.17 H new ATOM 0 HD11 ILE A 33 -1.676 -6.654 -15.310 1.00 2.91 H new ATOM 0 HD12 ILE A 33 -3.252 -5.874 -15.583 1.00 2.91 H new ATOM 0 HD13 ILE A 33 -2.275 -5.434 -14.161 1.00 2.91 H new ATOM 515 N HIS A 34 -7.665 -6.261 -12.856 1.00 1.65 N ATOM 516 CA HIS A 34 -8.732 -5.267 -12.543 1.00 1.92 C ATOM 517 C HIS A 34 -8.516 -4.715 -11.131 1.00 1.61 C ATOM 518 O HIS A 34 -8.677 -3.534 -10.887 1.00 1.94 O ATOM 519 CB HIS A 34 -10.102 -5.948 -12.626 1.00 2.45 C ATOM 520 CG HIS A 34 -10.125 -7.154 -11.725 1.00 2.25 C ATOM 521 ND1 HIS A 34 -9.729 -8.410 -12.159 1.00 3.12 N ATOM 522 CD2 HIS A 34 -10.489 -7.309 -10.410 1.00 2.62 C ATOM 523 CE1 HIS A 34 -9.865 -9.258 -11.123 1.00 3.11 C ATOM 524 NE2 HIS A 34 -10.324 -8.639 -10.033 1.00 3.03 N ATOM 0 H HIS A 34 -7.642 -7.076 -12.243 1.00 1.65 H new ATOM 0 HA HIS A 34 -8.691 -4.448 -13.261 1.00 1.92 H new ATOM 0 HB2 HIS A 34 -10.885 -5.248 -12.333 1.00 2.45 H new ATOM 0 HB3 HIS A 34 -10.309 -6.246 -13.654 1.00 2.45 H new ATOM 0 HD2 HIS A 34 -10.848 -6.520 -9.766 1.00 2.62 H new ATOM 0 HE1 HIS A 34 -9.631 -10.311 -11.168 1.00 3.11 H new ATOM 0 HE2 HIS A 34 -10.513 -9.052 -9.120 1.00 3.03 H new ATOM 532 N LYS A 35 -8.152 -5.564 -10.203 1.00 1.34 N ATOM 533 CA LYS A 35 -7.922 -5.100 -8.803 1.00 1.23 C ATOM 534 C LYS A 35 -6.423 -4.865 -8.574 1.00 1.02 C ATOM 535 O LYS A 35 -5.943 -4.922 -7.458 1.00 1.33 O ATOM 536 CB LYS A 35 -8.427 -6.164 -7.825 1.00 1.43 C ATOM 537 CG LYS A 35 -7.761 -7.508 -8.136 1.00 2.36 C ATOM 538 CD LYS A 35 -7.479 -8.254 -6.832 1.00 2.59 C ATOM 539 CE LYS A 35 -8.800 -8.664 -6.181 1.00 2.75 C ATOM 540 NZ LYS A 35 -8.593 -8.864 -4.719 1.00 3.29 N ATOM 0 H LYS A 35 -8.004 -6.561 -10.356 1.00 1.34 H new ATOM 0 HA LYS A 35 -8.461 -4.167 -8.639 1.00 1.23 H new ATOM 0 HB2 LYS A 35 -8.204 -5.865 -6.801 1.00 1.43 H new ATOM 0 HB3 LYS A 35 -9.510 -6.257 -7.902 1.00 1.43 H new ATOM 0 HG2 LYS A 35 -8.409 -8.107 -8.777 1.00 2.36 H new ATOM 0 HG3 LYS A 35 -6.832 -7.347 -8.683 1.00 2.36 H new ATOM 0 HD2 LYS A 35 -6.870 -9.136 -7.030 1.00 2.59 H new ATOM 0 HD3 LYS A 35 -6.909 -7.619 -6.154 1.00 2.59 H new ATOM 0 HE2 LYS A 35 -9.555 -7.896 -6.350 1.00 2.75 H new ATOM 0 HE3 LYS A 35 -9.172 -9.582 -6.635 1.00 2.75 H new ATOM 0 HZ1 LYS A 35 -9.492 -9.143 -4.276 1.00 3.29 H new ATOM 0 HZ2 LYS A 35 -7.886 -9.611 -4.568 1.00 3.29 H new ATOM 0 HZ3 LYS A 35 -8.257 -7.978 -4.292 1.00 3.29 H new ATOM 554 N TYR A 36 -5.685 -4.600 -9.623 1.00 0.78 N ATOM 555 CA TYR A 36 -4.220 -4.356 -9.480 1.00 0.77 C ATOM 556 C TYR A 36 -3.991 -2.848 -9.260 1.00 0.75 C ATOM 557 O TYR A 36 -3.040 -2.449 -8.613 1.00 0.84 O ATOM 558 CB TYR A 36 -3.518 -4.916 -10.745 1.00 0.88 C ATOM 559 CG TYR A 36 -2.315 -4.096 -11.182 1.00 0.92 C ATOM 560 CD1 TYR A 36 -1.317 -3.762 -10.261 1.00 2.14 C ATOM 561 CD2 TYR A 36 -2.207 -3.678 -12.513 1.00 1.74 C ATOM 562 CE1 TYR A 36 -0.211 -3.008 -10.670 1.00 2.29 C ATOM 563 CE2 TYR A 36 -1.102 -2.925 -12.923 1.00 2.00 C ATOM 564 CZ TYR A 36 -0.104 -2.588 -12.001 1.00 1.58 C ATOM 565 OH TYR A 36 0.987 -1.845 -12.405 1.00 2.00 O ATOM 0 H TYR A 36 -6.039 -4.542 -10.578 1.00 0.78 H new ATOM 0 HA TYR A 36 -3.792 -4.866 -8.617 1.00 0.77 H new ATOM 0 HB2 TYR A 36 -3.199 -5.940 -10.551 1.00 0.88 H new ATOM 0 HB3 TYR A 36 -4.237 -4.956 -11.563 1.00 0.88 H new ATOM 0 HD1 TYR A 36 -1.400 -4.086 -9.234 1.00 2.14 H new ATOM 0 HD2 TYR A 36 -2.977 -3.937 -13.224 1.00 1.74 H new ATOM 0 HE1 TYR A 36 0.560 -2.750 -9.959 1.00 2.29 H new ATOM 0 HE2 TYR A 36 -1.019 -2.604 -13.951 1.00 2.00 H new ATOM 0 HH TYR A 36 1.313 -1.308 -11.653 1.00 2.00 H new ATOM 575 N ASN A 37 -4.871 -2.016 -9.763 1.00 0.72 N ATOM 576 CA ASN A 37 -4.717 -0.543 -9.555 1.00 0.77 C ATOM 577 C ASN A 37 -4.738 -0.225 -8.049 1.00 0.69 C ATOM 578 O ASN A 37 -4.302 0.823 -7.625 1.00 0.71 O ATOM 579 CB ASN A 37 -5.870 0.190 -10.244 1.00 0.98 C ATOM 580 CG ASN A 37 -5.502 0.467 -11.703 1.00 1.49 C ATOM 581 OD1 ASN A 37 -5.257 1.598 -12.075 1.00 2.60 O ATOM 582 ND2 ASN A 37 -5.452 -0.524 -12.550 1.00 2.55 N ATOM 0 H ASN A 37 -5.688 -2.293 -10.308 1.00 0.72 H new ATOM 0 HA ASN A 37 -3.768 -0.216 -9.979 1.00 0.77 H new ATOM 0 HB2 ASN A 37 -6.778 -0.411 -10.195 1.00 0.98 H new ATOM 0 HB3 ASN A 37 -6.080 1.126 -9.727 1.00 0.98 H new ATOM 0 HD21 ASN A 37 -5.207 -0.350 -13.525 1.00 2.55 H new ATOM 0 HD22 ASN A 37 -5.658 -1.473 -12.237 1.00 2.55 H new ATOM 589 N ALA A 38 -5.248 -1.127 -7.242 1.00 0.68 N ATOM 590 CA ALA A 38 -5.310 -0.900 -5.763 1.00 0.71 C ATOM 591 C ALA A 38 -3.930 -0.538 -5.206 1.00 0.52 C ATOM 592 O ALA A 38 -3.791 0.306 -4.339 1.00 0.55 O ATOM 593 CB ALA A 38 -5.752 -2.208 -5.093 1.00 0.87 C ATOM 0 H ALA A 38 -5.628 -2.022 -7.551 1.00 0.68 H new ATOM 0 HA ALA A 38 -6.005 -0.085 -5.564 1.00 0.71 H new ATOM 0 HB1 ALA A 38 -5.804 -2.065 -4.014 1.00 0.87 H new ATOM 0 HB2 ALA A 38 -6.734 -2.495 -5.468 1.00 0.87 H new ATOM 0 HB3 ALA A 38 -5.032 -2.995 -5.320 1.00 0.87 H new ATOM 599 N TYR A 39 -2.923 -1.212 -5.672 1.00 0.49 N ATOM 600 CA TYR A 39 -1.536 -0.983 -5.149 1.00 0.56 C ATOM 601 C TYR A 39 -0.813 0.095 -5.962 1.00 0.60 C ATOM 602 O TYR A 39 0.217 0.593 -5.546 1.00 0.62 O ATOM 603 CB TYR A 39 -0.724 -2.301 -5.191 1.00 0.71 C ATOM 604 CG TYR A 39 -1.662 -3.495 -5.212 1.00 0.72 C ATOM 605 CD1 TYR A 39 -2.418 -3.811 -4.078 1.00 1.65 C ATOM 606 CD2 TYR A 39 -1.806 -4.246 -6.383 1.00 1.66 C ATOM 607 CE1 TYR A 39 -3.319 -4.882 -4.115 1.00 1.66 C ATOM 608 CE2 TYR A 39 -2.701 -5.320 -6.418 1.00 1.71 C ATOM 609 CZ TYR A 39 -3.458 -5.639 -5.284 1.00 0.85 C ATOM 610 OH TYR A 39 -4.346 -6.695 -5.321 1.00 0.95 O ATOM 0 H TYR A 39 -2.993 -1.922 -6.401 1.00 0.49 H new ATOM 0 HA TYR A 39 -1.618 -0.642 -4.117 1.00 0.56 H new ATOM 0 HB2 TYR A 39 -0.086 -2.315 -6.074 1.00 0.71 H new ATOM 0 HB3 TYR A 39 -0.068 -2.360 -4.323 1.00 0.71 H new ATOM 0 HD1 TYR A 39 -2.307 -3.229 -3.175 1.00 1.65 H new ATOM 0 HD2 TYR A 39 -1.226 -3.997 -7.260 1.00 1.66 H new ATOM 0 HE1 TYR A 39 -3.907 -5.124 -3.242 1.00 1.66 H new ATOM 0 HE2 TYR A 39 -2.808 -5.904 -7.320 1.00 1.71 H new ATOM 0 HH TYR A 39 -5.061 -6.499 -5.961 1.00 0.95 H new ATOM 620 N ARG A 40 -1.331 0.466 -7.104 1.00 0.77 N ATOM 621 CA ARG A 40 -0.659 1.516 -7.921 1.00 0.94 C ATOM 622 C ARG A 40 -0.983 2.894 -7.336 1.00 0.94 C ATOM 623 O ARG A 40 -0.129 3.757 -7.241 1.00 1.04 O ATOM 624 CB ARG A 40 -1.162 1.435 -9.362 1.00 1.07 C ATOM 625 CG ARG A 40 -0.299 2.332 -10.254 1.00 1.49 C ATOM 626 CD ARG A 40 1.133 1.786 -10.310 1.00 1.04 C ATOM 627 NE ARG A 40 1.648 1.847 -11.722 1.00 1.73 N ATOM 628 CZ ARG A 40 0.994 1.311 -12.733 1.00 3.04 C ATOM 629 NH1 ARG A 40 -0.041 0.529 -12.544 1.00 4.17 N ATOM 630 NH2 ARG A 40 1.423 1.517 -13.949 1.00 3.97 N ATOM 0 H ARG A 40 -2.189 0.087 -7.505 1.00 0.77 H new ATOM 0 HA ARG A 40 0.420 1.361 -7.907 1.00 0.94 H new ATOM 0 HB2 ARG A 40 -1.121 0.405 -9.716 1.00 1.07 H new ATOM 0 HB3 ARG A 40 -2.205 1.748 -9.413 1.00 1.07 H new ATOM 0 HG2 ARG A 40 -0.721 2.376 -11.258 1.00 1.49 H new ATOM 0 HG3 ARG A 40 -0.295 3.350 -9.866 1.00 1.49 H new ATOM 0 HD2 ARG A 40 1.779 2.367 -9.652 1.00 1.04 H new ATOM 0 HD3 ARG A 40 1.154 0.757 -9.950 1.00 1.04 H new ATOM 0 HE ARG A 40 2.534 2.319 -11.903 1.00 1.73 H new ATOM 0 HH11 ARG A 40 -0.358 0.323 -11.597 1.00 4.17 H new ATOM 0 HH12 ARG A 40 -0.529 0.127 -13.344 1.00 4.17 H new ATOM 0 HH21 ARG A 40 2.254 2.087 -14.107 1.00 3.97 H new ATOM 0 HH22 ARG A 40 0.927 1.108 -14.741 1.00 3.97 H new ATOM 644 N LYS A 41 -2.212 3.100 -6.941 1.00 0.90 N ATOM 645 CA LYS A 41 -2.613 4.413 -6.361 1.00 0.97 C ATOM 646 C LYS A 41 -2.147 4.500 -4.906 1.00 0.84 C ATOM 647 O LYS A 41 -1.638 5.516 -4.473 1.00 0.87 O ATOM 648 CB LYS A 41 -4.137 4.546 -6.414 1.00 1.06 C ATOM 649 CG LYS A 41 -4.598 4.526 -7.873 1.00 1.54 C ATOM 650 CD LYS A 41 -4.560 5.945 -8.441 1.00 1.57 C ATOM 651 CE LYS A 41 -5.937 6.595 -8.289 1.00 2.44 C ATOM 652 NZ LYS A 41 -6.295 6.662 -6.843 1.00 3.58 N ATOM 0 H LYS A 41 -2.960 2.409 -6.996 1.00 0.90 H new ATOM 0 HA LYS A 41 -2.153 5.217 -6.936 1.00 0.97 H new ATOM 0 HB2 LYS A 41 -4.604 3.730 -5.862 1.00 1.06 H new ATOM 0 HB3 LYS A 41 -4.449 5.474 -5.935 1.00 1.06 H new ATOM 0 HG2 LYS A 41 -3.954 3.871 -8.460 1.00 1.54 H new ATOM 0 HG3 LYS A 41 -5.609 4.123 -7.940 1.00 1.54 H new ATOM 0 HD2 LYS A 41 -3.808 6.537 -7.919 1.00 1.57 H new ATOM 0 HD3 LYS A 41 -4.273 5.919 -9.492 1.00 1.57 H new ATOM 0 HE2 LYS A 41 -5.928 7.596 -8.720 1.00 2.44 H new ATOM 0 HE3 LYS A 41 -6.685 6.020 -8.834 1.00 2.44 H new ATOM 0 HZ1 LYS A 41 -7.154 7.236 -6.724 1.00 3.58 H new ATOM 0 HZ2 LYS A 41 -6.468 5.702 -6.483 1.00 3.58 H new ATOM 0 HZ3 LYS A 41 -5.513 7.095 -6.311 1.00 3.58 H new ATOM 666 N ALA A 42 -2.319 3.443 -4.147 1.00 0.73 N ATOM 667 CA ALA A 42 -1.886 3.474 -2.719 1.00 0.66 C ATOM 668 C ALA A 42 -0.365 3.608 -2.643 1.00 0.62 C ATOM 669 O ALA A 42 0.152 4.414 -1.902 1.00 0.78 O ATOM 670 CB ALA A 42 -2.311 2.186 -2.016 1.00 0.66 C ATOM 0 H ALA A 42 -2.739 2.566 -4.455 1.00 0.73 H new ATOM 0 HA ALA A 42 -2.355 4.327 -2.228 1.00 0.66 H new ATOM 0 HB1 ALA A 42 -1.991 2.217 -0.975 1.00 0.66 H new ATOM 0 HB2 ALA A 42 -3.396 2.089 -2.059 1.00 0.66 H new ATOM 0 HB3 ALA A 42 -1.850 1.332 -2.512 1.00 0.66 H new ATOM 676 N ALA A 43 0.347 2.814 -3.401 1.00 0.58 N ATOM 677 CA ALA A 43 1.842 2.874 -3.377 1.00 0.60 C ATOM 678 C ALA A 43 2.332 4.213 -3.938 1.00 0.61 C ATOM 679 O ALA A 43 3.437 4.633 -3.659 1.00 0.64 O ATOM 680 CB ALA A 43 2.401 1.736 -4.226 1.00 0.68 C ATOM 0 H ALA A 43 -0.044 2.122 -4.040 1.00 0.58 H new ATOM 0 HA ALA A 43 2.185 2.777 -2.347 1.00 0.60 H new ATOM 0 HB1 ALA A 43 3.490 1.774 -4.213 1.00 0.68 H new ATOM 0 HB2 ALA A 43 2.066 0.781 -3.821 1.00 0.68 H new ATOM 0 HB3 ALA A 43 2.047 1.839 -5.252 1.00 0.68 H new ATOM 686 N SER A 44 1.531 4.887 -4.726 1.00 0.70 N ATOM 687 CA SER A 44 1.973 6.198 -5.289 1.00 0.75 C ATOM 688 C SER A 44 2.013 7.234 -4.159 1.00 0.57 C ATOM 689 O SER A 44 2.914 8.047 -4.077 1.00 0.49 O ATOM 690 CB SER A 44 0.989 6.651 -6.369 1.00 0.95 C ATOM 691 OG SER A 44 -0.211 7.105 -5.756 1.00 2.81 O ATOM 0 H SER A 44 0.596 4.587 -5.002 1.00 0.70 H new ATOM 0 HA SER A 44 2.964 6.096 -5.731 1.00 0.75 H new ATOM 0 HB2 SER A 44 1.430 7.449 -6.966 1.00 0.95 H new ATOM 0 HB3 SER A 44 0.774 5.827 -7.049 1.00 0.95 H new ATOM 0 HG SER A 44 -0.537 6.424 -5.132 1.00 2.81 H new ATOM 697 N VAL A 45 1.036 7.200 -3.293 1.00 0.59 N ATOM 698 CA VAL A 45 0.984 8.168 -2.153 1.00 0.52 C ATOM 699 C VAL A 45 1.699 7.587 -0.918 1.00 0.43 C ATOM 700 O VAL A 45 1.905 8.281 0.056 1.00 0.56 O ATOM 701 CB VAL A 45 -0.494 8.443 -1.821 1.00 0.68 C ATOM 702 CG1 VAL A 45 -1.201 7.125 -1.499 1.00 0.73 C ATOM 703 CG2 VAL A 45 -0.614 9.380 -0.611 1.00 0.69 C ATOM 0 H VAL A 45 0.262 6.536 -3.325 1.00 0.59 H new ATOM 0 HA VAL A 45 1.489 9.093 -2.432 1.00 0.52 H new ATOM 0 HB VAL A 45 -0.958 8.918 -2.686 1.00 0.68 H new ATOM 0 HG11 VAL A 45 -2.247 7.321 -1.264 1.00 0.73 H new ATOM 0 HG12 VAL A 45 -1.141 6.460 -2.361 1.00 0.73 H new ATOM 0 HG13 VAL A 45 -0.719 6.653 -0.643 1.00 0.73 H new ATOM 0 HG21 VAL A 45 -1.667 9.561 -0.394 1.00 0.69 H new ATOM 0 HG22 VAL A 45 -0.139 8.919 0.255 1.00 0.69 H new ATOM 0 HG23 VAL A 45 -0.122 10.327 -0.834 1.00 0.69 H new ATOM 713 N ILE A 46 2.052 6.327 -0.940 1.00 0.46 N ATOM 714 CA ILE A 46 2.719 5.703 0.243 1.00 0.53 C ATOM 715 C ILE A 46 4.244 5.833 0.120 1.00 0.49 C ATOM 716 O ILE A 46 4.909 6.313 1.019 1.00 0.61 O ATOM 717 CB ILE A 46 2.254 4.219 0.314 1.00 0.82 C ATOM 718 CG1 ILE A 46 1.072 4.129 1.283 1.00 0.83 C ATOM 719 CG2 ILE A 46 3.360 3.250 0.789 1.00 1.73 C ATOM 720 CD1 ILE A 46 0.170 2.957 0.898 1.00 1.47 C ATOM 0 H ILE A 46 1.906 5.700 -1.731 1.00 0.46 H new ATOM 0 HA ILE A 46 2.441 6.208 1.168 1.00 0.53 H new ATOM 0 HB ILE A 46 1.980 3.917 -0.697 1.00 0.82 H new ATOM 0 HG12 ILE A 46 1.436 3.999 2.302 1.00 0.83 H new ATOM 0 HG13 ILE A 46 0.503 5.059 1.263 1.00 0.83 H new ATOM 0 HG21 ILE A 46 2.967 2.234 0.815 1.00 1.73 H new ATOM 0 HG22 ILE A 46 4.204 3.295 0.100 1.00 1.73 H new ATOM 0 HG23 ILE A 46 3.691 3.537 1.787 1.00 1.73 H new ATOM 0 HD11 ILE A 46 -0.668 2.900 1.592 1.00 1.47 H new ATOM 0 HD12 ILE A 46 -0.206 3.105 -0.114 1.00 1.47 H new ATOM 0 HD13 ILE A 46 0.741 2.029 0.941 1.00 1.47 H new ATOM 732 N ALA A 47 4.798 5.365 -0.966 1.00 0.48 N ATOM 733 CA ALA A 47 6.278 5.410 -1.146 1.00 0.53 C ATOM 734 C ALA A 47 6.797 6.841 -0.965 1.00 0.55 C ATOM 735 O ALA A 47 7.841 7.054 -0.377 1.00 0.67 O ATOM 736 CB ALA A 47 6.633 4.879 -2.528 1.00 0.62 C ATOM 0 H ALA A 47 4.284 4.950 -1.743 1.00 0.48 H new ATOM 0 HA ALA A 47 6.753 4.784 -0.391 1.00 0.53 H new ATOM 0 HB1 ALA A 47 7.714 4.910 -2.663 1.00 0.62 H new ATOM 0 HB2 ALA A 47 6.285 3.850 -2.623 1.00 0.62 H new ATOM 0 HB3 ALA A 47 6.154 5.496 -3.289 1.00 0.62 H new ATOM 742 N LYS A 48 6.056 7.825 -1.411 1.00 0.51 N ATOM 743 CA LYS A 48 6.496 9.237 -1.193 1.00 0.62 C ATOM 744 C LYS A 48 6.377 9.499 0.310 1.00 0.70 C ATOM 745 O LYS A 48 7.211 10.133 0.925 1.00 0.90 O ATOM 746 CB LYS A 48 5.588 10.197 -1.969 1.00 0.64 C ATOM 747 CG LYS A 48 5.943 10.147 -3.458 1.00 1.63 C ATOM 748 CD LYS A 48 5.820 11.548 -4.064 1.00 1.76 C ATOM 749 CE LYS A 48 4.386 11.773 -4.546 1.00 2.68 C ATOM 750 NZ LYS A 48 3.604 12.460 -3.480 1.00 3.76 N ATOM 0 H LYS A 48 5.174 7.714 -1.912 1.00 0.51 H new ATOM 0 HA LYS A 48 7.517 9.392 -1.542 1.00 0.62 H new ATOM 0 HB2 LYS A 48 4.543 9.923 -1.824 1.00 0.64 H new ATOM 0 HB3 LYS A 48 5.706 11.212 -1.590 1.00 0.64 H new ATOM 0 HG2 LYS A 48 6.958 9.772 -3.588 1.00 1.63 H new ATOM 0 HG3 LYS A 48 5.279 9.456 -3.977 1.00 1.63 H new ATOM 0 HD2 LYS A 48 6.088 12.301 -3.323 1.00 1.76 H new ATOM 0 HD3 LYS A 48 6.516 11.658 -4.896 1.00 1.76 H new ATOM 0 HE2 LYS A 48 4.387 12.374 -5.455 1.00 2.68 H new ATOM 0 HE3 LYS A 48 3.921 10.819 -4.795 1.00 2.68 H new ATOM 0 HZ1 LYS A 48 2.634 12.628 -3.815 1.00 3.76 H new ATOM 0 HZ2 LYS A 48 3.578 11.863 -2.629 1.00 3.76 H new ATOM 0 HZ3 LYS A 48 4.053 13.370 -3.251 1.00 3.76 H new ATOM 764 N TYR A 49 5.347 8.950 0.900 1.00 0.66 N ATOM 765 CA TYR A 49 5.125 9.064 2.368 1.00 0.81 C ATOM 766 C TYR A 49 6.323 8.420 3.088 1.00 0.88 C ATOM 767 O TYR A 49 6.977 7.574 2.510 1.00 0.95 O ATOM 768 CB TYR A 49 3.847 8.268 2.690 1.00 1.05 C ATOM 769 CG TYR A 49 3.103 8.835 3.873 1.00 0.88 C ATOM 770 CD1 TYR A 49 2.953 10.218 4.030 1.00 2.01 C ATOM 771 CD2 TYR A 49 2.550 7.961 4.817 1.00 1.50 C ATOM 772 CE1 TYR A 49 2.259 10.723 5.131 1.00 2.38 C ATOM 773 CE2 TYR A 49 1.851 8.470 5.916 1.00 1.48 C ATOM 774 CZ TYR A 49 1.708 9.851 6.074 1.00 1.53 C ATOM 775 OH TYR A 49 1.019 10.354 7.160 1.00 2.03 O ATOM 0 H TYR A 49 4.632 8.413 0.409 1.00 0.66 H new ATOM 0 HA TYR A 49 5.025 10.102 2.685 1.00 0.81 H new ATOM 0 HB2 TYR A 49 3.193 8.267 1.818 1.00 1.05 H new ATOM 0 HB3 TYR A 49 4.110 7.230 2.892 1.00 1.05 H new ATOM 0 HD1 TYR A 49 3.374 10.894 3.300 1.00 2.01 H new ATOM 0 HD2 TYR A 49 2.663 6.894 4.696 1.00 1.50 H new ATOM 0 HE1 TYR A 49 2.148 11.790 5.254 1.00 2.38 H new ATOM 0 HE2 TYR A 49 1.422 7.796 6.642 1.00 1.48 H new ATOM 0 HH TYR A 49 0.598 11.204 6.915 1.00 2.03 H new ATOM 785 N PRO A 50 6.591 8.803 4.329 1.00 1.01 N ATOM 786 CA PRO A 50 7.712 8.208 5.075 1.00 1.18 C ATOM 787 C PRO A 50 7.470 6.708 5.323 1.00 1.16 C ATOM 788 O PRO A 50 8.350 6.020 5.804 1.00 1.38 O ATOM 789 CB PRO A 50 7.769 8.984 6.399 1.00 1.37 C ATOM 790 CG PRO A 50 6.681 10.082 6.343 1.00 1.34 C ATOM 791 CD PRO A 50 5.845 9.837 5.080 1.00 1.13 C ATOM 0 HA PRO A 50 8.651 8.277 4.525 1.00 1.18 H new ATOM 0 HB2 PRO A 50 7.596 8.316 7.243 1.00 1.37 H new ATOM 0 HB3 PRO A 50 8.754 9.428 6.541 1.00 1.37 H new ATOM 0 HG2 PRO A 50 6.052 10.045 7.233 1.00 1.34 H new ATOM 0 HG3 PRO A 50 7.136 11.072 6.316 1.00 1.34 H new ATOM 0 HD2 PRO A 50 4.840 9.497 5.330 1.00 1.13 H new ATOM 0 HD3 PRO A 50 5.736 10.750 4.494 1.00 1.13 H new ATOM 799 N HIS A 51 6.293 6.184 5.000 1.00 1.02 N ATOM 800 CA HIS A 51 6.014 4.732 5.212 1.00 1.13 C ATOM 801 C HIS A 51 5.788 4.459 6.694 1.00 1.00 C ATOM 802 O HIS A 51 5.746 5.360 7.508 1.00 1.52 O ATOM 803 CB HIS A 51 7.170 3.846 4.715 1.00 1.58 C ATOM 804 CG HIS A 51 7.760 4.396 3.443 1.00 1.57 C ATOM 805 ND1 HIS A 51 9.121 4.614 3.300 1.00 2.05 N ATOM 806 CD2 HIS A 51 7.192 4.770 2.253 1.00 2.78 C ATOM 807 CE1 HIS A 51 9.326 5.099 2.063 1.00 2.74 C ATOM 808 NE2 HIS A 51 8.183 5.213 1.383 1.00 3.35 N ATOM 0 H HIS A 51 5.519 6.713 4.598 1.00 1.02 H new ATOM 0 HA HIS A 51 5.121 4.486 4.638 1.00 1.13 H new ATOM 0 HB2 HIS A 51 7.942 3.785 5.482 1.00 1.58 H new ATOM 0 HB3 HIS A 51 6.809 2.832 4.544 1.00 1.58 H new ATOM 0 HD2 HIS A 51 6.137 4.727 2.026 1.00 2.78 H new ATOM 0 HE1 HIS A 51 10.296 5.364 1.668 1.00 2.74 H new ATOM 0 HE2 HIS A 51 8.062 5.553 0.429 1.00 3.35 H new ATOM 816 N LYS A 52 5.631 3.209 7.040 1.00 1.04 N ATOM 817 CA LYS A 52 5.390 2.827 8.460 1.00 1.06 C ATOM 818 C LYS A 52 4.162 3.566 8.996 1.00 1.13 C ATOM 819 O LYS A 52 4.271 4.508 9.760 1.00 1.62 O ATOM 820 CB LYS A 52 6.619 3.173 9.304 1.00 1.30 C ATOM 821 CG LYS A 52 6.428 2.647 10.728 1.00 2.09 C ATOM 822 CD LYS A 52 7.299 3.455 11.693 1.00 2.37 C ATOM 823 CE LYS A 52 6.992 3.033 13.131 1.00 3.58 C ATOM 824 NZ LYS A 52 7.909 3.748 14.064 1.00 4.25 N ATOM 0 H LYS A 52 5.660 2.425 6.388 1.00 1.04 H new ATOM 0 HA LYS A 52 5.210 1.754 8.517 1.00 1.06 H new ATOM 0 HB2 LYS A 52 7.513 2.734 8.860 1.00 1.30 H new ATOM 0 HB3 LYS A 52 6.769 4.253 9.321 1.00 1.30 H new ATOM 0 HG2 LYS A 52 5.380 2.723 11.017 1.00 2.09 H new ATOM 0 HG3 LYS A 52 6.696 1.592 10.776 1.00 2.09 H new ATOM 0 HD2 LYS A 52 8.354 3.291 11.472 1.00 2.37 H new ATOM 0 HD3 LYS A 52 7.108 4.521 11.567 1.00 2.37 H new ATOM 0 HE2 LYS A 52 5.955 3.263 13.376 1.00 3.58 H new ATOM 0 HE3 LYS A 52 7.113 1.955 13.239 1.00 3.58 H new ATOM 0 HZ1 LYS A 52 7.701 3.462 15.042 1.00 4.25 H new ATOM 0 HZ2 LYS A 52 8.894 3.507 13.835 1.00 4.25 H new ATOM 0 HZ3 LYS A 52 7.772 4.774 13.967 1.00 4.25 H new ATOM 838 N ILE A 53 2.998 3.135 8.597 1.00 1.74 N ATOM 839 CA ILE A 53 1.743 3.792 9.071 1.00 2.05 C ATOM 840 C ILE A 53 1.246 3.082 10.334 1.00 2.10 C ATOM 841 O ILE A 53 0.665 2.016 10.269 1.00 2.55 O ATOM 842 CB ILE A 53 0.676 3.712 7.970 1.00 2.27 C ATOM 843 CG1 ILE A 53 1.193 4.423 6.716 1.00 2.64 C ATOM 844 CG2 ILE A 53 -0.613 4.393 8.441 1.00 2.82 C ATOM 845 CD1 ILE A 53 0.359 3.997 5.506 1.00 3.42 C ATOM 0 H ILE A 53 2.859 2.351 7.959 1.00 1.74 H new ATOM 0 HA ILE A 53 1.940 4.839 9.301 1.00 2.05 H new ATOM 0 HB ILE A 53 0.468 2.666 7.746 1.00 2.27 H new ATOM 0 HG12 ILE A 53 1.136 5.503 6.848 1.00 2.64 H new ATOM 0 HG13 ILE A 53 2.242 4.177 6.552 1.00 2.64 H new ATOM 0 HG21 ILE A 53 -1.365 4.332 7.654 1.00 2.82 H new ATOM 0 HG22 ILE A 53 -0.983 3.893 9.336 1.00 2.82 H new ATOM 0 HG23 ILE A 53 -0.410 5.439 8.668 1.00 2.82 H new ATOM 0 HD11 ILE A 53 0.727 4.503 4.614 1.00 3.42 H new ATOM 0 HD12 ILE A 53 0.439 2.918 5.370 1.00 3.42 H new ATOM 0 HD13 ILE A 53 -0.685 4.265 5.671 1.00 3.42 H new ATOM 857 N LYS A 54 1.472 3.673 11.480 1.00 1.90 N ATOM 858 CA LYS A 54 1.019 3.046 12.756 1.00 2.00 C ATOM 859 C LYS A 54 -0.500 3.182 12.882 1.00 1.93 C ATOM 860 O LYS A 54 -1.181 2.259 13.288 1.00 2.42 O ATOM 861 CB LYS A 54 1.694 3.751 13.935 1.00 2.24 C ATOM 862 CG LYS A 54 1.455 2.952 15.218 1.00 3.05 C ATOM 863 CD LYS A 54 0.250 3.527 15.965 1.00 4.03 C ATOM 864 CE LYS A 54 0.119 2.844 17.327 1.00 5.11 C ATOM 865 NZ LYS A 54 1.249 3.264 18.205 1.00 4.91 N ATOM 0 H LYS A 54 1.953 4.566 11.586 1.00 1.90 H new ATOM 0 HA LYS A 54 1.289 1.990 12.759 1.00 2.00 H new ATOM 0 HB2 LYS A 54 2.764 3.848 13.749 1.00 2.24 H new ATOM 0 HB3 LYS A 54 1.297 4.760 14.044 1.00 2.24 H new ATOM 0 HG2 LYS A 54 1.280 1.903 14.978 1.00 3.05 H new ATOM 0 HG3 LYS A 54 2.341 2.990 15.852 1.00 3.05 H new ATOM 0 HD2 LYS A 54 0.370 4.602 16.096 1.00 4.03 H new ATOM 0 HD3 LYS A 54 -0.658 3.376 15.382 1.00 4.03 H new ATOM 0 HE2 LYS A 54 -0.832 3.109 17.789 1.00 5.11 H new ATOM 0 HE3 LYS A 54 0.123 1.761 17.204 1.00 5.11 H new ATOM 0 HZ1 LYS A 54 0.992 3.107 19.200 1.00 4.91 H new ATOM 0 HZ2 LYS A 54 2.095 2.705 17.974 1.00 4.91 H new ATOM 0 HZ3 LYS A 54 1.449 4.273 18.054 1.00 4.91 H new ATOM 879 N SER A 55 -1.033 4.328 12.539 1.00 1.82 N ATOM 880 CA SER A 55 -2.508 4.533 12.639 1.00 2.11 C ATOM 881 C SER A 55 -3.155 4.249 11.282 1.00 2.08 C ATOM 882 O SER A 55 -2.682 4.695 10.253 1.00 3.11 O ATOM 883 CB SER A 55 -2.794 5.977 13.050 1.00 2.52 C ATOM 884 OG SER A 55 -2.890 6.052 14.467 1.00 2.97 O ATOM 0 H SER A 55 -0.508 5.131 12.193 1.00 1.82 H new ATOM 0 HA SER A 55 -2.920 3.855 13.386 1.00 2.11 H new ATOM 0 HB2 SER A 55 -2.000 6.633 12.693 1.00 2.52 H new ATOM 0 HB3 SER A 55 -3.722 6.321 12.592 1.00 2.52 H new ATOM 0 HG SER A 55 -3.072 6.977 14.734 1.00 2.97 H new ATOM 890 N GLY A 56 -4.235 3.509 11.276 1.00 1.62 N ATOM 891 CA GLY A 56 -4.924 3.186 9.991 1.00 1.69 C ATOM 892 C GLY A 56 -5.498 4.464 9.379 1.00 1.49 C ATOM 893 O GLY A 56 -5.632 4.578 8.175 1.00 1.59 O ATOM 0 H GLY A 56 -4.670 3.114 12.109 1.00 1.62 H new ATOM 0 HA2 GLY A 56 -4.222 2.722 9.297 1.00 1.69 H new ATOM 0 HA3 GLY A 56 -5.722 2.465 10.166 1.00 1.69 H new ATOM 897 N ALA A 57 -5.841 5.427 10.199 1.00 1.44 N ATOM 898 CA ALA A 57 -6.411 6.704 9.671 1.00 1.44 C ATOM 899 C ALA A 57 -5.390 7.384 8.753 1.00 1.15 C ATOM 900 O ALA A 57 -5.749 8.094 7.833 1.00 1.16 O ATOM 901 CB ALA A 57 -6.742 7.633 10.839 1.00 1.57 C ATOM 0 H ALA A 57 -5.750 5.383 11.214 1.00 1.44 H new ATOM 0 HA ALA A 57 -7.318 6.489 9.106 1.00 1.44 H new ATOM 0 HB1 ALA A 57 -7.158 8.565 10.456 1.00 1.57 H new ATOM 0 HB2 ALA A 57 -7.470 7.152 11.492 1.00 1.57 H new ATOM 0 HB3 ALA A 57 -5.834 7.846 11.403 1.00 1.57 H new ATOM 907 N GLU A 58 -4.122 7.169 8.999 1.00 1.00 N ATOM 908 CA GLU A 58 -3.069 7.799 8.148 1.00 0.81 C ATOM 909 C GLU A 58 -3.207 7.301 6.705 1.00 0.68 C ATOM 910 O GLU A 58 -3.013 8.046 5.765 1.00 0.70 O ATOM 911 CB GLU A 58 -1.687 7.422 8.690 1.00 0.90 C ATOM 912 CG GLU A 58 -1.160 8.547 9.583 1.00 1.62 C ATOM 913 CD GLU A 58 0.094 8.070 10.318 1.00 2.08 C ATOM 914 OE1 GLU A 58 -0.009 7.107 11.061 1.00 3.04 O ATOM 915 OE2 GLU A 58 1.137 8.673 10.124 1.00 2.88 O ATOM 0 H GLU A 58 -3.771 6.582 9.756 1.00 1.00 H new ATOM 0 HA GLU A 58 -3.186 8.883 8.167 1.00 0.81 H new ATOM 0 HB2 GLU A 58 -1.749 6.493 9.257 1.00 0.90 H new ATOM 0 HB3 GLU A 58 -0.997 7.246 7.864 1.00 0.90 H new ATOM 0 HG2 GLU A 58 -0.929 9.426 8.981 1.00 1.62 H new ATOM 0 HG3 GLU A 58 -1.924 8.844 10.301 1.00 1.62 H new ATOM 922 N ALA A 59 -3.541 6.048 6.528 1.00 0.76 N ATOM 923 CA ALA A 59 -3.695 5.493 5.148 1.00 0.72 C ATOM 924 C ALA A 59 -4.991 6.017 4.525 1.00 0.74 C ATOM 925 O ALA A 59 -5.100 6.143 3.319 1.00 0.78 O ATOM 926 CB ALA A 59 -3.742 3.965 5.216 1.00 0.89 C ATOM 0 H ALA A 59 -3.714 5.383 7.282 1.00 0.76 H new ATOM 0 HA ALA A 59 -2.849 5.804 4.536 1.00 0.72 H new ATOM 0 HB1 ALA A 59 -3.854 3.559 4.211 1.00 0.89 H new ATOM 0 HB2 ALA A 59 -2.818 3.592 5.657 1.00 0.89 H new ATOM 0 HB3 ALA A 59 -4.588 3.654 5.829 1.00 0.89 H new ATOM 932 N LYS A 60 -5.973 6.320 5.337 1.00 0.82 N ATOM 933 CA LYS A 60 -7.265 6.835 4.796 1.00 0.96 C ATOM 934 C LYS A 60 -7.097 8.290 4.347 1.00 0.91 C ATOM 935 O LYS A 60 -7.793 8.757 3.465 1.00 1.05 O ATOM 936 CB LYS A 60 -8.340 6.757 5.884 1.00 1.16 C ATOM 937 CG LYS A 60 -8.965 5.360 5.882 1.00 1.48 C ATOM 938 CD LYS A 60 -9.887 5.209 7.094 1.00 1.75 C ATOM 939 CE LYS A 60 -10.922 4.117 6.814 1.00 2.40 C ATOM 940 NZ LYS A 60 -12.147 4.371 7.627 1.00 2.84 N ATOM 0 H LYS A 60 -5.934 6.232 6.352 1.00 0.82 H new ATOM 0 HA LYS A 60 -7.565 6.228 3.942 1.00 0.96 H new ATOM 0 HB2 LYS A 60 -7.902 6.970 6.859 1.00 1.16 H new ATOM 0 HB3 LYS A 60 -9.107 7.511 5.707 1.00 1.16 H new ATOM 0 HG2 LYS A 60 -9.528 5.204 4.962 1.00 1.48 H new ATOM 0 HG3 LYS A 60 -8.183 4.601 5.910 1.00 1.48 H new ATOM 0 HD2 LYS A 60 -9.304 4.954 7.979 1.00 1.75 H new ATOM 0 HD3 LYS A 60 -10.387 6.154 7.304 1.00 1.75 H new ATOM 0 HE2 LYS A 60 -11.173 4.103 5.753 1.00 2.40 H new ATOM 0 HE3 LYS A 60 -10.508 3.138 7.057 1.00 2.40 H new ATOM 0 HZ1 LYS A 60 -12.850 3.629 7.437 1.00 2.84 H new ATOM 0 HZ2 LYS A 60 -11.901 4.364 8.637 1.00 2.84 H new ATOM 0 HZ3 LYS A 60 -12.545 5.298 7.375 1.00 2.84 H new ATOM 954 N LYS A 61 -6.179 9.009 4.947 1.00 0.84 N ATOM 955 CA LYS A 61 -5.965 10.435 4.557 1.00 0.94 C ATOM 956 C LYS A 61 -4.984 10.509 3.383 1.00 0.94 C ATOM 957 O LYS A 61 -5.046 11.410 2.571 1.00 1.14 O ATOM 958 CB LYS A 61 -5.402 11.217 5.751 1.00 1.01 C ATOM 959 CG LYS A 61 -4.083 10.591 6.215 1.00 1.31 C ATOM 960 CD LYS A 61 -3.394 11.529 7.206 1.00 1.63 C ATOM 961 CE LYS A 61 -2.772 12.704 6.449 1.00 1.95 C ATOM 962 NZ LYS A 61 -2.816 13.926 7.301 1.00 2.65 N ATOM 0 H LYS A 61 -5.569 8.668 5.690 1.00 0.84 H new ATOM 0 HA LYS A 61 -6.917 10.872 4.256 1.00 0.94 H new ATOM 0 HB2 LYS A 61 -5.241 12.258 5.471 1.00 1.01 H new ATOM 0 HB3 LYS A 61 -6.122 11.215 6.569 1.00 1.01 H new ATOM 0 HG2 LYS A 61 -4.272 9.625 6.683 1.00 1.31 H new ATOM 0 HG3 LYS A 61 -3.434 10.409 5.359 1.00 1.31 H new ATOM 0 HD2 LYS A 61 -4.114 11.895 7.938 1.00 1.63 H new ATOM 0 HD3 LYS A 61 -2.624 10.990 7.758 1.00 1.63 H new ATOM 0 HE2 LYS A 61 -1.741 12.472 6.181 1.00 1.95 H new ATOM 0 HE3 LYS A 61 -3.312 12.877 5.518 1.00 1.95 H new ATOM 0 HZ1 LYS A 61 -2.393 14.724 6.785 1.00 2.65 H new ATOM 0 HZ2 LYS A 61 -3.804 14.150 7.536 1.00 2.65 H new ATOM 0 HZ3 LYS A 61 -2.282 13.758 8.177 1.00 2.65 H new ATOM 976 N LEU A 62 -4.080 9.564 3.292 1.00 0.89 N ATOM 977 CA LEU A 62 -3.081 9.565 2.178 1.00 1.16 C ATOM 978 C LEU A 62 -3.822 9.564 0.819 1.00 1.44 C ATOM 979 O LEU A 62 -4.439 8.575 0.477 1.00 1.63 O ATOM 980 CB LEU A 62 -2.215 8.307 2.287 1.00 1.20 C ATOM 981 CG LEU A 62 -1.221 8.465 3.445 1.00 1.28 C ATOM 982 CD1 LEU A 62 -0.806 7.082 3.969 1.00 1.49 C ATOM 983 CD2 LEU A 62 0.019 9.222 2.960 1.00 1.37 C ATOM 0 H LEU A 62 -3.991 8.787 3.946 1.00 0.89 H new ATOM 0 HA LEU A 62 -2.454 10.454 2.245 1.00 1.16 H new ATOM 0 HB2 LEU A 62 -2.845 7.433 2.452 1.00 1.20 H new ATOM 0 HB3 LEU A 62 -1.678 8.141 1.353 1.00 1.20 H new ATOM 0 HG LEU A 62 -1.697 9.026 4.249 1.00 1.28 H new ATOM 0 HD11 LEU A 62 -0.100 7.201 4.791 1.00 1.49 H new ATOM 0 HD12 LEU A 62 -1.688 6.547 4.322 1.00 1.49 H new ATOM 0 HD13 LEU A 62 -0.335 6.515 3.166 1.00 1.49 H new ATOM 0 HD21 LEU A 62 0.723 9.333 3.785 1.00 1.37 H new ATOM 0 HD22 LEU A 62 0.492 8.665 2.151 1.00 1.37 H new ATOM 0 HD23 LEU A 62 -0.275 10.208 2.599 1.00 1.37 H new ATOM 995 N PRO A 63 -3.761 10.663 0.074 1.00 1.66 N ATOM 996 CA PRO A 63 -4.453 10.740 -1.229 1.00 2.01 C ATOM 997 C PRO A 63 -3.868 9.717 -2.207 1.00 2.38 C ATOM 998 O PRO A 63 -2.909 9.993 -2.903 1.00 3.45 O ATOM 999 CB PRO A 63 -4.202 12.171 -1.731 1.00 2.26 C ATOM 1000 CG PRO A 63 -3.295 12.882 -0.698 1.00 2.21 C ATOM 1001 CD PRO A 63 -3.020 11.894 0.445 1.00 1.80 C ATOM 0 HA PRO A 63 -5.517 10.519 -1.142 1.00 2.01 H new ATOM 0 HB2 PRO A 63 -3.725 12.154 -2.711 1.00 2.26 H new ATOM 0 HB3 PRO A 63 -5.144 12.707 -1.845 1.00 2.26 H new ATOM 0 HG2 PRO A 63 -2.361 13.197 -1.163 1.00 2.21 H new ATOM 0 HG3 PRO A 63 -3.781 13.780 -0.318 1.00 2.21 H new ATOM 0 HD2 PRO A 63 -1.953 11.697 0.548 1.00 1.80 H new ATOM 0 HD3 PRO A 63 -3.365 12.290 1.400 1.00 1.80 H new ATOM 1009 N GLY A 64 -4.444 8.543 -2.269 1.00 1.96 N ATOM 1010 CA GLY A 64 -3.930 7.502 -3.207 1.00 2.37 C ATOM 1011 C GLY A 64 -4.270 6.109 -2.673 1.00 1.95 C ATOM 1012 O GLY A 64 -4.538 5.197 -3.432 1.00 2.02 O ATOM 0 H GLY A 64 -5.249 8.261 -1.709 1.00 1.96 H new ATOM 0 HA2 GLY A 64 -4.370 7.640 -4.195 1.00 2.37 H new ATOM 0 HA3 GLY A 64 -2.851 7.604 -3.322 1.00 2.37 H new ATOM 1016 N VAL A 65 -4.259 5.938 -1.375 1.00 1.73 N ATOM 1017 CA VAL A 65 -4.583 4.597 -0.791 1.00 1.55 C ATOM 1018 C VAL A 65 -6.088 4.523 -0.525 1.00 1.60 C ATOM 1019 O VAL A 65 -6.640 5.342 0.186 1.00 2.14 O ATOM 1020 CB VAL A 65 -3.826 4.366 0.536 1.00 1.62 C ATOM 1021 CG1 VAL A 65 -3.596 2.859 0.738 1.00 1.79 C ATOM 1022 CG2 VAL A 65 -2.467 5.088 0.525 1.00 2.11 C ATOM 0 H VAL A 65 -4.041 6.666 -0.695 1.00 1.73 H new ATOM 0 HA VAL A 65 -4.277 3.828 -1.500 1.00 1.55 H new ATOM 0 HB VAL A 65 -4.428 4.767 1.351 1.00 1.62 H new ATOM 0 HG11 VAL A 65 -3.062 2.695 1.674 1.00 1.79 H new ATOM 0 HG12 VAL A 65 -4.557 2.346 0.774 1.00 1.79 H new ATOM 0 HG13 VAL A 65 -3.006 2.467 -0.090 1.00 1.79 H new ATOM 0 HG21 VAL A 65 -1.953 4.910 1.470 1.00 2.11 H new ATOM 0 HG22 VAL A 65 -1.859 4.707 -0.296 1.00 2.11 H new ATOM 0 HG23 VAL A 65 -2.625 6.158 0.393 1.00 2.11 H new ATOM 1032 N GLY A 66 -6.755 3.552 -1.095 1.00 1.82 N ATOM 1033 CA GLY A 66 -8.228 3.422 -0.883 1.00 2.40 C ATOM 1034 C GLY A 66 -8.498 2.748 0.463 1.00 1.65 C ATOM 1035 O GLY A 66 -7.608 2.596 1.280 1.00 2.67 O ATOM 0 H GLY A 66 -6.342 2.842 -1.700 1.00 1.82 H new ATOM 0 HA2 GLY A 66 -8.697 4.406 -0.909 1.00 2.40 H new ATOM 0 HA3 GLY A 66 -8.671 2.837 -1.689 1.00 2.40 H new ATOM 1039 N THR A 67 -9.721 2.345 0.698 1.00 1.38 N ATOM 1040 CA THR A 67 -10.061 1.678 1.991 1.00 1.86 C ATOM 1041 C THR A 67 -10.037 0.157 1.811 1.00 1.60 C ATOM 1042 O THR A 67 -10.704 -0.568 2.526 1.00 2.62 O ATOM 1043 CB THR A 67 -11.459 2.115 2.434 1.00 3.03 C ATOM 1044 OG1 THR A 67 -12.409 1.723 1.453 1.00 3.05 O ATOM 1045 CG2 THR A 67 -11.492 3.634 2.602 1.00 4.19 C ATOM 0 H THR A 67 -10.500 2.450 0.048 1.00 1.38 H new ATOM 0 HA THR A 67 -9.330 1.963 2.747 1.00 1.86 H new ATOM 0 HB THR A 67 -11.703 1.642 3.385 1.00 3.03 H new ATOM 0 HG1 THR A 67 -13.305 2.001 1.736 1.00 3.05 H new ATOM 0 HG21 THR A 67 -12.488 3.944 2.918 1.00 4.19 H new ATOM 0 HG22 THR A 67 -10.764 3.933 3.356 1.00 4.19 H new ATOM 0 HG23 THR A 67 -11.248 4.110 1.653 1.00 4.19 H new ATOM 1053 N LYS A 68 -9.273 -0.332 0.865 1.00 1.39 N ATOM 1054 CA LYS A 68 -9.202 -1.806 0.640 1.00 1.17 C ATOM 1055 C LYS A 68 -7.761 -2.281 0.838 1.00 0.84 C ATOM 1056 O LYS A 68 -7.517 -3.334 1.397 1.00 0.91 O ATOM 1057 CB LYS A 68 -9.654 -2.126 -0.787 1.00 1.50 C ATOM 1058 CG LYS A 68 -11.160 -1.877 -0.913 1.00 2.75 C ATOM 1059 CD LYS A 68 -11.933 -2.976 -0.170 1.00 2.85 C ATOM 1060 CE LYS A 68 -12.567 -3.938 -1.178 1.00 3.16 C ATOM 1061 NZ LYS A 68 -13.773 -3.302 -1.781 1.00 4.64 N ATOM 0 H LYS A 68 -8.695 0.229 0.239 1.00 1.39 H new ATOM 0 HA LYS A 68 -9.854 -2.315 1.350 1.00 1.17 H new ATOM 0 HB2 LYS A 68 -9.111 -1.505 -1.500 1.00 1.50 H new ATOM 0 HB3 LYS A 68 -9.425 -3.164 -1.029 1.00 1.50 H new ATOM 0 HG2 LYS A 68 -11.412 -0.900 -0.500 1.00 2.75 H new ATOM 0 HG3 LYS A 68 -11.449 -1.863 -1.964 1.00 2.75 H new ATOM 0 HD2 LYS A 68 -11.261 -3.521 0.493 1.00 2.85 H new ATOM 0 HD3 LYS A 68 -12.706 -2.530 0.456 1.00 2.85 H new ATOM 0 HE2 LYS A 68 -11.848 -4.191 -1.957 1.00 3.16 H new ATOM 0 HE3 LYS A 68 -12.843 -4.870 -0.684 1.00 3.16 H new ATOM 0 HZ1 LYS A 68 -14.262 -3.990 -2.388 1.00 4.64 H new ATOM 0 HZ2 LYS A 68 -14.416 -2.990 -1.025 1.00 4.64 H new ATOM 0 HZ3 LYS A 68 -13.484 -2.481 -2.351 1.00 4.64 H new ATOM 1075 N ILE A 69 -6.806 -1.509 0.384 1.00 0.77 N ATOM 1076 CA ILE A 69 -5.374 -1.904 0.543 1.00 0.61 C ATOM 1077 C ILE A 69 -4.877 -1.511 1.938 1.00 0.60 C ATOM 1078 O ILE A 69 -3.908 -2.057 2.431 1.00 0.65 O ATOM 1079 CB ILE A 69 -4.522 -1.194 -0.512 1.00 0.68 C ATOM 1080 CG1 ILE A 69 -5.141 -1.394 -1.908 1.00 0.68 C ATOM 1081 CG2 ILE A 69 -3.107 -1.774 -0.488 1.00 1.00 C ATOM 1082 CD1 ILE A 69 -5.697 -0.063 -2.419 1.00 2.07 C ATOM 0 H ILE A 69 -6.957 -0.619 -0.091 1.00 0.77 H new ATOM 0 HA ILE A 69 -5.289 -2.983 0.417 1.00 0.61 H new ATOM 0 HB ILE A 69 -4.485 -0.127 -0.291 1.00 0.68 H new ATOM 0 HG12 ILE A 69 -4.389 -1.775 -2.599 1.00 0.68 H new ATOM 0 HG13 ILE A 69 -5.936 -2.138 -1.861 1.00 0.68 H new ATOM 0 HG21 ILE A 69 -2.495 -1.272 -1.238 1.00 1.00 H new ATOM 0 HG22 ILE A 69 -2.669 -1.623 0.498 1.00 1.00 H new ATOM 0 HG23 ILE A 69 -3.147 -2.841 -0.708 1.00 1.00 H new ATOM 0 HD11 ILE A 69 -6.135 -0.207 -3.407 1.00 2.07 H new ATOM 0 HD12 ILE A 69 -6.462 0.299 -1.732 1.00 2.07 H new ATOM 0 HD13 ILE A 69 -4.891 0.668 -2.482 1.00 2.07 H new ATOM 1094 N ALA A 70 -5.527 -0.567 2.580 1.00 0.65 N ATOM 1095 CA ALA A 70 -5.089 -0.135 3.943 1.00 0.72 C ATOM 1096 C ALA A 70 -5.083 -1.337 4.895 1.00 0.68 C ATOM 1097 O ALA A 70 -4.325 -1.379 5.847 1.00 0.72 O ATOM 1098 CB ALA A 70 -6.053 0.929 4.472 1.00 0.86 C ATOM 0 H ALA A 70 -6.344 -0.077 2.215 1.00 0.65 H new ATOM 0 HA ALA A 70 -4.082 0.278 3.883 1.00 0.72 H new ATOM 0 HB1 ALA A 70 -5.736 1.246 5.466 1.00 0.86 H new ATOM 0 HB2 ALA A 70 -6.052 1.787 3.800 1.00 0.86 H new ATOM 0 HB3 ALA A 70 -7.059 0.513 4.528 1.00 0.86 H new ATOM 1104 N GLU A 71 -5.919 -2.311 4.641 1.00 0.69 N ATOM 1105 CA GLU A 71 -5.965 -3.514 5.524 1.00 0.75 C ATOM 1106 C GLU A 71 -4.658 -4.295 5.381 1.00 0.73 C ATOM 1107 O GLU A 71 -4.127 -4.815 6.344 1.00 0.77 O ATOM 1108 CB GLU A 71 -7.139 -4.404 5.115 1.00 0.89 C ATOM 1109 CG GLU A 71 -7.386 -5.456 6.199 1.00 1.59 C ATOM 1110 CD GLU A 71 -8.026 -4.791 7.418 1.00 2.38 C ATOM 1111 OE1 GLU A 71 -8.868 -3.929 7.226 1.00 3.06 O ATOM 1112 OE2 GLU A 71 -7.663 -5.155 8.525 1.00 3.52 O ATOM 0 H GLU A 71 -6.573 -2.325 3.858 1.00 0.69 H new ATOM 0 HA GLU A 71 -6.093 -3.202 6.560 1.00 0.75 H new ATOM 0 HB2 GLU A 71 -8.034 -3.799 4.970 1.00 0.89 H new ATOM 0 HB3 GLU A 71 -6.926 -4.891 4.163 1.00 0.89 H new ATOM 0 HG2 GLU A 71 -8.037 -6.242 5.816 1.00 1.59 H new ATOM 0 HG3 GLU A 71 -6.446 -5.930 6.482 1.00 1.59 H new ATOM 1119 N LYS A 72 -4.138 -4.379 4.182 1.00 0.74 N ATOM 1120 CA LYS A 72 -2.863 -5.125 3.963 1.00 0.84 C ATOM 1121 C LYS A 72 -1.703 -4.346 4.583 1.00 0.81 C ATOM 1122 O LYS A 72 -0.772 -4.922 5.116 1.00 0.91 O ATOM 1123 CB LYS A 72 -2.622 -5.291 2.461 1.00 0.95 C ATOM 1124 CG LYS A 72 -1.702 -6.490 2.221 1.00 1.50 C ATOM 1125 CD LYS A 72 -2.066 -7.156 0.893 1.00 1.60 C ATOM 1126 CE LYS A 72 -1.331 -8.492 0.773 1.00 2.47 C ATOM 1127 NZ LYS A 72 -1.902 -9.461 1.751 1.00 2.99 N ATOM 0 H LYS A 72 -4.543 -3.962 3.344 1.00 0.74 H new ATOM 0 HA LYS A 72 -2.931 -6.107 4.431 1.00 0.84 H new ATOM 0 HB2 LYS A 72 -3.570 -5.437 1.944 1.00 0.95 H new ATOM 0 HB3 LYS A 72 -2.172 -4.386 2.052 1.00 0.95 H new ATOM 0 HG2 LYS A 72 -0.662 -6.166 2.204 1.00 1.50 H new ATOM 0 HG3 LYS A 72 -1.799 -7.206 3.037 1.00 1.50 H new ATOM 0 HD2 LYS A 72 -3.143 -7.315 0.837 1.00 1.60 H new ATOM 0 HD3 LYS A 72 -1.796 -6.505 0.062 1.00 1.60 H new ATOM 0 HE2 LYS A 72 -1.426 -8.882 -0.240 1.00 2.47 H new ATOM 0 HE3 LYS A 72 -0.267 -8.352 0.962 1.00 2.47 H new ATOM 0 HZ1 LYS A 72 -1.692 -10.431 1.441 1.00 2.99 H new ATOM 0 HZ2 LYS A 72 -1.481 -9.298 2.688 1.00 2.99 H new ATOM 0 HZ3 LYS A 72 -2.932 -9.331 1.808 1.00 2.99 H new ATOM 1141 N ILE A 73 -1.753 -3.037 4.524 1.00 0.74 N ATOM 1142 CA ILE A 73 -0.656 -2.214 5.114 1.00 0.80 C ATOM 1143 C ILE A 73 -0.600 -2.471 6.623 1.00 0.76 C ATOM 1144 O ILE A 73 0.464 -2.535 7.217 1.00 0.88 O ATOM 1145 CB ILE A 73 -0.920 -0.731 4.832 1.00 0.84 C ATOM 1146 CG1 ILE A 73 -1.038 -0.525 3.314 1.00 1.01 C ATOM 1147 CG2 ILE A 73 0.242 0.108 5.372 1.00 0.99 C ATOM 1148 CD1 ILE A 73 -1.330 0.947 3.006 1.00 1.19 C ATOM 0 H ILE A 73 -2.508 -2.504 4.092 1.00 0.74 H new ATOM 0 HA ILE A 73 0.300 -2.487 4.668 1.00 0.80 H new ATOM 0 HB ILE A 73 -1.844 -0.422 5.320 1.00 0.84 H new ATOM 0 HG12 ILE A 73 -0.114 -0.831 2.824 1.00 1.01 H new ATOM 0 HG13 ILE A 73 -1.834 -1.154 2.914 1.00 1.01 H new ATOM 0 HG21 ILE A 73 0.054 1.163 5.171 1.00 0.99 H new ATOM 0 HG22 ILE A 73 0.333 -0.046 6.447 1.00 0.99 H new ATOM 0 HG23 ILE A 73 1.168 -0.195 4.883 1.00 0.99 H new ATOM 0 HD11 ILE A 73 -1.412 1.084 1.928 1.00 1.19 H new ATOM 0 HD12 ILE A 73 -2.266 1.239 3.481 1.00 1.19 H new ATOM 0 HD13 ILE A 73 -0.520 1.567 3.390 1.00 1.19 H new ATOM 1160 N ASP A 74 -1.741 -2.643 7.240 1.00 0.71 N ATOM 1161 CA ASP A 74 -1.769 -2.921 8.703 1.00 0.75 C ATOM 1162 C ASP A 74 -1.159 -4.302 8.951 1.00 0.78 C ATOM 1163 O ASP A 74 -0.546 -4.543 9.974 1.00 0.85 O ATOM 1164 CB ASP A 74 -3.215 -2.903 9.202 1.00 0.81 C ATOM 1165 CG ASP A 74 -3.666 -1.456 9.410 1.00 1.48 C ATOM 1166 OD1 ASP A 74 -3.465 -0.945 10.501 1.00 2.06 O ATOM 1167 OD2 ASP A 74 -4.203 -0.883 8.477 1.00 2.89 O ATOM 0 H ASP A 74 -2.656 -2.602 6.790 1.00 0.71 H new ATOM 0 HA ASP A 74 -1.199 -2.160 9.237 1.00 0.75 H new ATOM 0 HB2 ASP A 74 -3.866 -3.398 8.481 1.00 0.81 H new ATOM 0 HB3 ASP A 74 -3.295 -3.458 10.137 1.00 0.81 H new ATOM 1172 N GLU A 75 -1.314 -5.207 8.013 1.00 0.81 N ATOM 1173 CA GLU A 75 -0.740 -6.578 8.177 1.00 0.91 C ATOM 1174 C GLU A 75 0.777 -6.473 8.345 1.00 0.94 C ATOM 1175 O GLU A 75 1.373 -7.193 9.125 1.00 1.02 O ATOM 1176 CB GLU A 75 -1.062 -7.424 6.943 1.00 1.01 C ATOM 1177 CG GLU A 75 -2.578 -7.570 6.805 1.00 1.69 C ATOM 1178 CD GLU A 75 -3.068 -8.698 7.715 1.00 2.34 C ATOM 1179 OE1 GLU A 75 -2.890 -9.848 7.349 1.00 2.74 O ATOM 1180 OE2 GLU A 75 -3.613 -8.392 8.763 1.00 3.73 O ATOM 0 H GLU A 75 -1.816 -5.053 7.138 1.00 0.81 H new ATOM 0 HA GLU A 75 -1.174 -7.051 9.058 1.00 0.91 H new ATOM 0 HB2 GLU A 75 -0.648 -6.955 6.050 1.00 1.01 H new ATOM 0 HB3 GLU A 75 -0.598 -8.406 7.031 1.00 1.01 H new ATOM 0 HG2 GLU A 75 -3.070 -6.634 7.071 1.00 1.69 H new ATOM 0 HG3 GLU A 75 -2.840 -7.784 5.769 1.00 1.69 H new ATOM 1187 N PHE A 76 1.403 -5.569 7.629 1.00 0.91 N ATOM 1188 CA PHE A 76 2.883 -5.401 7.758 1.00 1.00 C ATOM 1189 C PHE A 76 3.212 -4.985 9.181 1.00 1.11 C ATOM 1190 O PHE A 76 4.098 -5.530 9.814 1.00 1.28 O ATOM 1191 CB PHE A 76 3.383 -4.314 6.794 1.00 1.08 C ATOM 1192 CG PHE A 76 2.815 -4.501 5.395 1.00 1.00 C ATOM 1193 CD1 PHE A 76 2.514 -5.781 4.897 1.00 2.19 C ATOM 1194 CD2 PHE A 76 2.600 -3.376 4.590 1.00 1.86 C ATOM 1195 CE1 PHE A 76 1.998 -5.926 3.604 1.00 2.47 C ATOM 1196 CE2 PHE A 76 2.086 -3.523 3.298 1.00 2.04 C ATOM 1197 CZ PHE A 76 1.785 -4.797 2.805 1.00 1.74 C ATOM 0 H PHE A 76 0.953 -4.942 6.962 1.00 0.91 H new ATOM 0 HA PHE A 76 3.370 -6.346 7.515 1.00 1.00 H new ATOM 0 HB2 PHE A 76 3.100 -3.332 7.174 1.00 1.08 H new ATOM 0 HB3 PHE A 76 4.472 -4.338 6.751 1.00 1.08 H new ATOM 0 HD1 PHE A 76 2.681 -6.653 5.512 1.00 2.19 H new ATOM 0 HD2 PHE A 76 2.832 -2.391 4.968 1.00 1.86 H new ATOM 0 HE1 PHE A 76 1.764 -6.909 3.223 1.00 2.47 H new ATOM 0 HE2 PHE A 76 1.921 -2.652 2.680 1.00 2.04 H new ATOM 0 HZ PHE A 76 1.388 -4.909 1.807 1.00 1.74 H new ATOM 1207 N LEU A 77 2.514 -4.008 9.675 1.00 1.12 N ATOM 1208 CA LEU A 77 2.779 -3.514 11.053 1.00 1.37 C ATOM 1209 C LEU A 77 1.877 -4.225 12.070 1.00 1.44 C ATOM 1210 O LEU A 77 1.685 -3.747 13.173 1.00 1.70 O ATOM 1211 CB LEU A 77 2.541 -2.006 11.080 1.00 1.50 C ATOM 1212 CG LEU A 77 3.361 -1.348 9.958 1.00 1.40 C ATOM 1213 CD1 LEU A 77 2.561 -0.213 9.332 1.00 1.65 C ATOM 1214 CD2 LEU A 77 4.669 -0.810 10.532 1.00 2.37 C ATOM 0 H LEU A 77 1.764 -3.525 9.181 1.00 1.12 H new ATOM 0 HA LEU A 77 3.812 -3.729 11.328 1.00 1.37 H new ATOM 0 HB2 LEU A 77 1.481 -1.790 10.947 1.00 1.50 H new ATOM 0 HB3 LEU A 77 2.831 -1.597 12.048 1.00 1.50 H new ATOM 0 HG LEU A 77 3.584 -2.088 9.190 1.00 1.40 H new ATOM 0 HD11 LEU A 77 3.147 0.250 8.538 1.00 1.65 H new ATOM 0 HD12 LEU A 77 1.634 -0.607 8.917 1.00 1.65 H new ATOM 0 HD13 LEU A 77 2.329 0.532 10.093 1.00 1.65 H new ATOM 0 HD21 LEU A 77 5.251 -0.343 9.737 1.00 2.37 H new ATOM 0 HD22 LEU A 77 4.451 -0.071 11.304 1.00 2.37 H new ATOM 0 HD23 LEU A 77 5.241 -1.630 10.966 1.00 2.37 H new ATOM 1226 N ALA A 78 1.330 -5.366 11.717 1.00 1.34 N ATOM 1227 CA ALA A 78 0.453 -6.107 12.671 1.00 1.46 C ATOM 1228 C ALA A 78 1.324 -6.970 13.585 1.00 1.73 C ATOM 1229 O ALA A 78 1.147 -6.994 14.788 1.00 2.08 O ATOM 1230 CB ALA A 78 -0.513 -7.003 11.894 1.00 1.47 C ATOM 0 H ALA A 78 1.455 -5.813 10.809 1.00 1.34 H new ATOM 0 HA ALA A 78 -0.118 -5.396 13.268 1.00 1.46 H new ATOM 0 HB1 ALA A 78 -1.152 -7.542 12.594 1.00 1.47 H new ATOM 0 HB2 ALA A 78 -1.131 -6.389 11.238 1.00 1.47 H new ATOM 0 HB3 ALA A 78 0.054 -7.717 11.296 1.00 1.47 H new ATOM 1236 N THR A 79 2.266 -7.679 13.016 1.00 1.83 N ATOM 1237 CA THR A 79 3.162 -8.546 13.835 1.00 2.21 C ATOM 1238 C THR A 79 4.603 -8.387 13.348 1.00 2.67 C ATOM 1239 O THR A 79 5.373 -9.330 13.341 1.00 3.48 O ATOM 1240 CB THR A 79 2.732 -10.008 13.686 1.00 2.73 C ATOM 1241 OG1 THR A 79 2.760 -10.369 12.313 1.00 3.49 O ATOM 1242 CG2 THR A 79 1.315 -10.183 14.233 1.00 3.56 C ATOM 0 H THR A 79 2.453 -7.693 12.013 1.00 1.83 H new ATOM 0 HA THR A 79 3.096 -8.253 14.883 1.00 2.21 H new ATOM 0 HB THR A 79 3.415 -10.648 14.245 1.00 2.73 H new ATOM 0 HG1 THR A 79 2.487 -11.305 12.215 1.00 3.49 H new ATOM 0 HG21 THR A 79 1.010 -11.224 14.126 1.00 3.56 H new ATOM 0 HG22 THR A 79 1.295 -9.905 15.287 1.00 3.56 H new ATOM 0 HG23 THR A 79 0.629 -9.545 13.676 1.00 3.56 H new ATOM 1250 N GLY A 80 4.970 -7.200 12.938 1.00 2.96 N ATOM 1251 CA GLY A 80 6.360 -6.964 12.444 1.00 3.98 C ATOM 1252 C GLY A 80 7.348 -7.021 13.614 1.00 4.85 C ATOM 1253 O GLY A 80 8.514 -7.313 13.432 1.00 5.78 O ATOM 0 H GLY A 80 4.363 -6.380 12.924 1.00 2.96 H new ATOM 0 HA2 GLY A 80 6.622 -7.715 11.699 1.00 3.98 H new ATOM 0 HA3 GLY A 80 6.420 -5.993 11.953 1.00 3.98 H new ATOM 1257 N LYS A 81 6.892 -6.738 14.809 1.00 5.09 N ATOM 1258 CA LYS A 81 7.804 -6.772 15.990 1.00 6.47 C ATOM 1259 C LYS A 81 8.002 -8.220 16.441 1.00 7.05 C ATOM 1260 O LYS A 81 7.181 -9.078 16.176 1.00 7.06 O ATOM 1261 CB LYS A 81 7.190 -5.960 17.132 1.00 7.04 C ATOM 1262 CG LYS A 81 6.895 -4.540 16.646 1.00 7.42 C ATOM 1263 CD LYS A 81 5.864 -3.887 17.570 1.00 8.20 C ATOM 1264 CE LYS A 81 5.427 -2.545 16.982 1.00 8.96 C ATOM 1265 NZ LYS A 81 6.572 -1.591 17.019 1.00 10.06 N ATOM 0 H LYS A 81 5.926 -6.485 15.016 1.00 5.09 H new ATOM 0 HA LYS A 81 8.768 -6.343 15.717 1.00 6.47 H new ATOM 0 HB2 LYS A 81 6.272 -6.435 17.478 1.00 7.04 H new ATOM 0 HB3 LYS A 81 7.874 -5.931 17.980 1.00 7.04 H new ATOM 0 HG2 LYS A 81 7.812 -3.951 16.633 1.00 7.42 H new ATOM 0 HG3 LYS A 81 6.518 -4.565 15.624 1.00 7.42 H new ATOM 0 HD2 LYS A 81 5.001 -4.542 17.689 1.00 8.20 H new ATOM 0 HD3 LYS A 81 6.291 -3.739 18.562 1.00 8.20 H new ATOM 0 HE2 LYS A 81 5.085 -2.679 15.956 1.00 8.96 H new ATOM 0 HE3 LYS A 81 4.587 -2.144 17.549 1.00 8.96 H new ATOM 0 HZ1 LYS A 81 6.230 -0.630 16.814 1.00 10.06 H new ATOM 0 HZ2 LYS A 81 7.008 -1.609 17.963 1.00 10.06 H new ATOM 0 HZ3 LYS A 81 7.277 -1.867 16.306 1.00 10.06 H new ATOM 1279 N LEU A 82 9.090 -8.496 17.117 1.00 7.97 N ATOM 1280 CA LEU A 82 9.359 -9.888 17.592 1.00 8.88 C ATOM 1281 C LEU A 82 9.427 -10.837 16.392 1.00 9.38 C ATOM 1282 O LEU A 82 8.414 -11.250 15.859 1.00 9.32 O ATOM 1283 CB LEU A 82 8.241 -10.337 18.537 1.00 8.99 C ATOM 1284 CG LEU A 82 8.631 -10.005 19.979 1.00 9.88 C ATOM 1285 CD1 LEU A 82 8.346 -8.528 20.257 1.00 10.34 C ATOM 1286 CD2 LEU A 82 7.813 -10.871 20.940 1.00 10.47 C ATOM 0 H LEU A 82 9.807 -7.813 17.361 1.00 7.97 H new ATOM 0 HA LEU A 82 10.310 -9.908 18.124 1.00 8.88 H new ATOM 0 HB2 LEU A 82 7.308 -9.838 18.277 1.00 8.99 H new ATOM 0 HB3 LEU A 82 8.070 -11.408 18.432 1.00 8.99 H new ATOM 0 HG LEU A 82 9.693 -10.204 20.123 1.00 9.88 H new ATOM 0 HD11 LEU A 82 8.624 -8.291 21.284 1.00 10.34 H new ATOM 0 HD12 LEU A 82 8.927 -7.910 19.572 1.00 10.34 H new ATOM 0 HD13 LEU A 82 7.284 -8.329 20.113 1.00 10.34 H new ATOM 0 HD21 LEU A 82 8.090 -10.635 21.968 1.00 10.47 H new ATOM 0 HD22 LEU A 82 6.751 -10.671 20.796 1.00 10.47 H new ATOM 0 HD23 LEU A 82 8.014 -11.924 20.742 1.00 10.47 H new ATOM 1298 N ARG A 83 10.615 -11.182 15.965 1.00 10.38 N ATOM 1299 CA ARG A 83 10.760 -12.103 14.800 1.00 11.41 C ATOM 1300 C ARG A 83 11.807 -13.174 15.123 1.00 12.55 C ATOM 1301 O ARG A 83 12.737 -13.400 14.369 1.00 13.23 O ATOM 1302 CB ARG A 83 11.199 -11.301 13.569 1.00 12.06 C ATOM 1303 CG ARG A 83 12.461 -10.500 13.901 1.00 12.97 C ATOM 1304 CD ARG A 83 12.700 -9.452 12.812 1.00 13.86 C ATOM 1305 NE ARG A 83 14.114 -8.968 12.888 1.00 15.24 N ATOM 1306 CZ ARG A 83 14.659 -8.279 11.905 1.00 16.24 C ATOM 1307 NH1 ARG A 83 13.984 -7.980 10.818 1.00 16.19 N ATOM 1308 NH2 ARG A 83 15.897 -7.882 12.014 1.00 17.59 N ATOM 0 H ARG A 83 11.493 -10.864 16.375 1.00 10.38 H new ATOM 0 HA ARG A 83 9.805 -12.586 14.593 1.00 11.41 H new ATOM 0 HB2 ARG A 83 11.393 -11.974 12.734 1.00 12.06 H new ATOM 0 HB3 ARG A 83 10.400 -10.628 13.257 1.00 12.06 H new ATOM 0 HG2 ARG A 83 12.352 -10.014 14.871 1.00 12.97 H new ATOM 0 HG3 ARG A 83 13.320 -11.167 13.974 1.00 12.97 H new ATOM 0 HD2 ARG A 83 12.504 -9.881 11.830 1.00 13.86 H new ATOM 0 HD3 ARG A 83 12.011 -8.617 12.938 1.00 13.86 H new ATOM 0 HE ARG A 83 14.668 -9.176 13.719 1.00 15.24 H new ATOM 0 HH11 ARG A 83 13.015 -8.282 10.720 1.00 16.19 H new ATOM 0 HH12 ARG A 83 14.429 -7.446 10.072 1.00 16.19 H new ATOM 0 HH21 ARG A 83 16.432 -8.105 12.853 1.00 17.59 H new ATOM 0 HH22 ARG A 83 16.330 -7.348 11.260 1.00 17.59 H new ATOM 1322 N LYS A 84 11.660 -13.837 16.243 1.00 13.04 N ATOM 1323 CA LYS A 84 12.637 -14.897 16.628 1.00 14.36 C ATOM 1324 C LYS A 84 12.014 -16.275 16.395 1.00 15.03 C ATOM 1325 O LYS A 84 10.846 -16.489 16.661 1.00 14.92 O ATOM 1326 CB LYS A 84 12.999 -14.744 18.107 1.00 14.83 C ATOM 1327 CG LYS A 84 14.458 -15.151 18.321 1.00 15.87 C ATOM 1328 CD LYS A 84 14.993 -14.489 19.594 1.00 16.58 C ATOM 1329 CE LYS A 84 14.853 -15.457 20.771 1.00 17.28 C ATOM 1330 NZ LYS A 84 15.113 -14.729 22.046 1.00 17.73 N ATOM 0 H LYS A 84 10.902 -13.688 16.909 1.00 13.04 H new ATOM 0 HA LYS A 84 13.537 -14.799 16.021 1.00 14.36 H new ATOM 0 HB2 LYS A 84 12.848 -13.712 18.424 1.00 14.83 H new ATOM 0 HB3 LYS A 84 12.344 -15.365 18.719 1.00 14.83 H new ATOM 0 HG2 LYS A 84 14.536 -16.235 18.402 1.00 15.87 H new ATOM 0 HG3 LYS A 84 15.060 -14.852 17.463 1.00 15.87 H new ATOM 0 HD2 LYS A 84 16.039 -14.211 19.460 1.00 16.58 H new ATOM 0 HD3 LYS A 84 14.443 -13.570 19.798 1.00 16.58 H new ATOM 0 HE2 LYS A 84 13.852 -15.889 20.784 1.00 17.28 H new ATOM 0 HE3 LYS A 84 15.555 -16.283 20.662 1.00 17.28 H new ATOM 0 HZ1 LYS A 84 15.018 -15.386 22.847 1.00 17.73 H new ATOM 0 HZ2 LYS A 84 16.076 -14.337 22.032 1.00 17.73 H new ATOM 0 HZ3 LYS A 84 14.426 -13.955 22.150 1.00 17.73 H new ATOM 1344 N LEU A 85 12.789 -17.210 15.901 1.00 16.03 N ATOM 1345 CA LEU A 85 12.259 -18.585 15.644 1.00 17.03 C ATOM 1346 C LEU A 85 11.152 -18.524 14.587 1.00 17.17 C ATOM 1347 O LEU A 85 10.477 -17.525 14.441 1.00 16.81 O ATOM 1348 CB LEU A 85 11.700 -19.181 16.945 1.00 17.33 C ATOM 1349 CG LEU A 85 12.716 -20.155 17.546 1.00 18.17 C ATOM 1350 CD1 LEU A 85 12.267 -20.559 18.951 1.00 18.71 C ATOM 1351 CD2 LEU A 85 12.807 -21.402 16.663 1.00 18.92 C ATOM 0 H LEU A 85 13.772 -17.078 15.663 1.00 16.03 H new ATOM 0 HA LEU A 85 13.069 -19.217 15.280 1.00 17.03 H new ATOM 0 HB2 LEU A 85 11.481 -18.385 17.656 1.00 17.33 H new ATOM 0 HB3 LEU A 85 10.761 -19.697 16.746 1.00 17.33 H new ATOM 0 HG LEU A 85 13.693 -19.674 17.601 1.00 18.17 H new ATOM 0 HD11 LEU A 85 12.991 -21.253 19.379 1.00 18.71 H new ATOM 0 HD12 LEU A 85 12.199 -19.672 19.580 1.00 18.71 H new ATOM 0 HD13 LEU A 85 11.291 -21.041 18.897 1.00 18.71 H new ATOM 0 HD21 LEU A 85 13.530 -22.097 17.089 1.00 18.92 H new ATOM 0 HD22 LEU A 85 11.830 -21.882 16.610 1.00 18.92 H new ATOM 0 HD23 LEU A 85 13.126 -21.116 15.661 1.00 18.92 H new ATOM 1363 N GLU A 86 10.969 -19.592 13.851 1.00 17.97 N ATOM 1364 CA GLU A 86 9.910 -19.624 12.796 1.00 18.51 C ATOM 1365 C GLU A 86 10.161 -18.508 11.764 1.00 18.61 C ATOM 1366 O GLU A 86 10.845 -18.720 10.781 1.00 19.17 O ATOM 1367 CB GLU A 86 8.530 -19.461 13.447 1.00 18.40 C ATOM 1368 CG GLU A 86 8.167 -20.741 14.202 1.00 19.31 C ATOM 1369 CD GLU A 86 6.646 -20.889 14.256 1.00 19.62 C ATOM 1370 OE1 GLU A 86 5.976 -19.876 14.379 1.00 19.41 O ATOM 1371 OE2 GLU A 86 6.177 -22.012 14.174 1.00 20.28 O ATOM 0 H GLU A 86 11.513 -20.451 13.937 1.00 17.97 H new ATOM 0 HA GLU A 86 9.942 -20.583 12.278 1.00 18.51 H new ATOM 0 HB2 GLU A 86 8.537 -18.612 14.131 1.00 18.40 H new ATOM 0 HB3 GLU A 86 7.779 -19.250 12.685 1.00 18.40 H new ATOM 0 HG2 GLU A 86 8.610 -21.605 13.707 1.00 19.31 H new ATOM 0 HG3 GLU A 86 8.576 -20.708 15.212 1.00 19.31 H new ATOM 1378 N LYS A 87 9.619 -17.327 11.972 1.00 18.38 N ATOM 1379 CA LYS A 87 9.835 -16.218 10.996 1.00 18.84 C ATOM 1380 C LYS A 87 11.318 -15.840 10.972 1.00 19.58 C ATOM 1381 O LYS A 87 11.755 -15.303 9.968 1.00 20.20 O ATOM 1382 CB LYS A 87 9.006 -15.002 11.416 1.00 18.51 C ATOM 1383 CG LYS A 87 8.858 -14.050 10.227 1.00 18.94 C ATOM 1384 CD LYS A 87 7.729 -13.055 10.507 1.00 19.05 C ATOM 1385 CE LYS A 87 8.217 -11.994 11.497 1.00 19.17 C ATOM 1386 NZ LYS A 87 7.063 -11.488 12.291 1.00 19.36 N ATOM 1387 OXT LYS A 87 11.989 -16.095 11.958 1.00 19.71 O ATOM 0 H LYS A 87 9.038 -17.089 12.776 1.00 18.38 H new ATOM 0 HA LYS A 87 9.527 -16.543 10.002 1.00 18.84 H new ATOM 0 HB2 LYS A 87 8.024 -15.321 11.765 1.00 18.51 H new ATOM 0 HB3 LYS A 87 9.489 -14.489 12.248 1.00 18.51 H new ATOM 0 HG2 LYS A 87 9.793 -13.517 10.056 1.00 18.94 H new ATOM 0 HG3 LYS A 87 8.643 -14.615 9.320 1.00 18.94 H new ATOM 0 HD2 LYS A 87 7.409 -12.582 9.579 1.00 19.05 H new ATOM 0 HD3 LYS A 87 6.863 -13.577 10.914 1.00 19.05 H new ATOM 0 HE2 LYS A 87 8.970 -12.419 12.160 1.00 19.17 H new ATOM 0 HE3 LYS A 87 8.692 -11.172 10.961 1.00 19.17 H new ATOM 0 HZ1 LYS A 87 7.108 -10.450 12.346 1.00 19.36 H new ATOM 0 HZ2 LYS A 87 6.174 -11.772 11.831 1.00 19.36 H new ATOM 0 HZ3 LYS A 87 7.100 -11.888 13.250 1.00 19.36 H new TER 1401 LYS A 87