USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 THR OG1 : rot -59:sc= 0.0862 USER MOD Set 1.2: A 67 THR OG1 : rot 2:sc= 0.14 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 152:sc= 1.24 (180deg=1.01) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 52:sc= 0.493 USER MOD Single : A 20 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0382) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -166:sc= 0.945 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0346 USER MOD Single : A 38 ASN : amide:sc= -0.0592 X(o=-0.059,f=0) USER MOD Single : A 41 CYS SG : rot 180:sc=-0.00147 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -157:sc= 1.22 (180deg=1.14) USER MOD Single : A 51 THR OG1 : rot 180:sc=-0.000385 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.027 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -131:sc= 0.49 (180deg=0.000291) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 32:sc= -0.151 USER MOD Single : A 77 LYS NZ :NH3+ -157:sc= -0.0182 (180deg=-0.472) USER MOD Single : A 84 LYS NZ :NH3+ -143:sc= 1.06 (180deg=0.157) USER MOD Single : A 85 HIS : no HD1:sc= -0.439 K(o=-0.44,f=-3.9!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0235 X(o=-0.023,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 33 N VAL A 3 -5.047 8.728 -3.521 1.00 0.00 N ATOM 34 CA VAL A 3 -4.025 7.713 -3.391 1.00 0.00 C ATOM 35 C VAL A 3 -2.944 7.843 -4.466 1.00 0.00 C ATOM 36 O VAL A 3 -3.156 7.539 -5.637 1.00 0.00 O ATOM 37 CB VAL A 3 -4.698 6.352 -3.318 1.00 0.00 C ATOM 38 CG1 VAL A 3 -3.634 5.278 -3.060 1.00 0.00 C ATOM 39 CG2 VAL A 3 -5.750 6.293 -2.207 1.00 0.00 C ATOM 0 HA VAL A 3 -3.472 7.849 -2.462 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.203 6.176 -4.268 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.111 4.299 -3.007 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.907 5.284 -3.872 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.127 5.487 -2.118 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.206 5.303 -2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.275 6.490 -1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.518 7.043 -2.393 1.00 0.00 H new ATOM 49 N LYS A 4 -1.756 8.297 -4.054 1.00 0.00 N ATOM 50 CA LYS A 4 -0.616 8.355 -4.952 1.00 0.00 C ATOM 51 C LYS A 4 -0.176 6.925 -5.243 1.00 0.00 C ATOM 52 O LYS A 4 0.120 6.202 -4.292 1.00 0.00 O ATOM 53 CB LYS A 4 0.528 9.152 -4.304 1.00 0.00 C ATOM 54 CG LYS A 4 1.414 9.742 -5.402 1.00 0.00 C ATOM 55 CD LYS A 4 2.730 10.306 -4.854 1.00 0.00 C ATOM 56 CE LYS A 4 3.271 11.294 -5.886 1.00 0.00 C ATOM 57 NZ LYS A 4 4.658 11.726 -5.628 1.00 0.00 N ATOM 0 H LYS A 4 -1.567 8.627 -3.107 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.887 8.858 -5.880 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.124 9.948 -3.679 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.116 8.504 -3.654 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.632 8.972 -6.141 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.870 10.533 -5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.566 10.802 -3.898 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.447 9.504 -4.678 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.221 10.837 -6.874 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.625 12.172 -5.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.957 12.394 -6.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.710 12.191 -4.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.287 10.898 -5.636 1.00 0.00 H new ATOM 71 N ILE A 5 -0.090 6.541 -6.513 1.00 0.00 N ATOM 72 CA ILE A 5 0.460 5.268 -6.965 1.00 0.00 C ATOM 73 C ILE A 5 1.451 5.635 -8.084 1.00 0.00 C ATOM 74 O ILE A 5 1.165 6.522 -8.893 1.00 0.00 O ATOM 75 CB ILE A 5 -0.698 4.297 -7.359 1.00 0.00 C ATOM 76 CG1 ILE A 5 -1.645 4.082 -6.157 1.00 0.00 C ATOM 77 CG2 ILE A 5 -0.189 2.951 -7.899 1.00 0.00 C ATOM 78 CD1 ILE A 5 -2.652 2.932 -6.267 1.00 0.00 C ATOM 0 H ILE A 5 -0.413 7.128 -7.282 1.00 0.00 H new ATOM 0 HA ILE A 5 1.001 4.710 -6.201 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.249 4.768 -8.173 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.035 3.915 -5.269 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.201 5.005 -5.993 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.038 2.318 -8.156 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.419 3.122 -8.788 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.414 2.458 -7.137 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.255 2.889 -5.360 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.301 3.098 -7.127 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.117 1.991 -6.392 1.00 0.00 H new ATOM 90 N GLU A 6 2.639 5.027 -8.090 1.00 0.00 N ATOM 91 CA GLU A 6 3.604 5.038 -9.195 1.00 0.00 C ATOM 92 C GLU A 6 4.552 3.847 -9.054 1.00 0.00 C ATOM 93 O GLU A 6 4.470 3.128 -8.051 1.00 0.00 O ATOM 94 CB GLU A 6 4.397 6.345 -9.278 1.00 0.00 C ATOM 95 CG GLU A 6 5.184 6.697 -8.015 1.00 0.00 C ATOM 96 CD GLU A 6 6.148 7.868 -8.244 1.00 0.00 C ATOM 97 OE1 GLU A 6 5.823 8.816 -8.997 1.00 0.00 O ATOM 98 OE2 GLU A 6 7.235 7.895 -7.619 1.00 0.00 O ATOM 0 H GLU A 6 2.971 4.489 -7.290 1.00 0.00 H new ATOM 0 HA GLU A 6 3.040 4.959 -10.124 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.091 6.280 -10.116 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.707 7.159 -9.498 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.489 6.951 -7.214 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.747 5.824 -7.684 1.00 0.00 H new ATOM 105 N LYS A 7 5.440 3.600 -10.026 1.00 0.00 N ATOM 106 CA LYS A 7 6.418 2.519 -9.931 1.00 0.00 C ATOM 107 C LYS A 7 7.825 3.126 -9.915 1.00 0.00 C ATOM 108 O LYS A 7 8.437 3.295 -10.972 1.00 0.00 O ATOM 109 CB LYS A 7 6.226 1.455 -11.010 1.00 0.00 C ATOM 110 CG LYS A 7 4.786 0.913 -11.085 1.00 0.00 C ATOM 111 CD LYS A 7 3.981 1.503 -12.254 1.00 0.00 C ATOM 112 CE LYS A 7 2.601 2.127 -11.998 1.00 0.00 C ATOM 113 NZ LYS A 7 1.572 1.139 -11.626 1.00 0.00 N ATOM 0 H LYS A 7 5.497 4.140 -10.890 1.00 0.00 H new ATOM 0 HA LYS A 7 6.267 1.979 -8.996 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.499 1.876 -11.978 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.909 0.627 -10.819 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.817 -0.172 -11.184 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.272 1.133 -10.150 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.601 2.268 -12.721 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.847 0.709 -12.989 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.687 2.868 -11.203 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.278 2.657 -12.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.851 1.596 -11.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.124 0.763 -12.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.014 0.360 -11.097 1.00 0.00 H new ATOM 127 N PRO A 8 8.311 3.532 -8.736 1.00 0.00 N ATOM 128 CA PRO A 8 9.558 4.270 -8.586 1.00 0.00 C ATOM 129 C PRO A 8 10.770 3.432 -8.997 1.00 0.00 C ATOM 130 O PRO A 8 10.698 2.205 -9.072 1.00 0.00 O ATOM 131 CB PRO A 8 9.618 4.673 -7.111 1.00 0.00 C ATOM 132 CG PRO A 8 8.644 3.745 -6.396 1.00 0.00 C ATOM 133 CD PRO A 8 7.730 3.182 -7.456 1.00 0.00 C ATOM 0 HA PRO A 8 9.585 5.142 -9.239 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.627 4.563 -6.715 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.335 5.717 -6.978 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.177 2.947 -5.880 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.075 4.288 -5.641 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.640 2.100 -7.355 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.726 3.596 -7.361 1.00 0.00 H new ATOM 141 N THR A 9 11.906 4.089 -9.233 1.00 0.00 N ATOM 142 CA THR A 9 13.147 3.383 -9.526 1.00 0.00 C ATOM 143 C THR A 9 13.594 2.608 -8.269 1.00 0.00 C ATOM 144 O THR A 9 13.503 3.157 -7.165 1.00 0.00 O ATOM 145 CB THR A 9 14.180 4.400 -10.045 1.00 0.00 C ATOM 146 OG1 THR A 9 15.452 3.829 -10.223 1.00 0.00 O ATOM 147 CG2 THR A 9 14.361 5.611 -9.136 1.00 0.00 C ATOM 0 H THR A 9 11.989 5.106 -9.226 1.00 0.00 H new ATOM 0 HA THR A 9 13.021 2.639 -10.312 1.00 0.00 H new ATOM 0 HB THR A 9 13.763 4.722 -10.999 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.073 4.511 -10.555 1.00 0.00 H new ATOM 0 HG21 THR A 9 15.104 6.282 -9.567 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.411 6.137 -9.037 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.698 5.281 -8.153 1.00 0.00 H new ATOM 155 N PRO A 10 14.161 1.392 -8.404 1.00 0.00 N ATOM 156 CA PRO A 10 14.583 0.600 -7.252 1.00 0.00 C ATOM 157 C PRO A 10 15.838 1.140 -6.559 1.00 0.00 C ATOM 158 O PRO A 10 16.069 0.786 -5.403 1.00 0.00 O ATOM 159 CB PRO A 10 14.774 -0.831 -7.759 1.00 0.00 C ATOM 160 CG PRO A 10 14.985 -0.672 -9.260 1.00 0.00 C ATOM 161 CD PRO A 10 14.135 0.554 -9.595 1.00 0.00 C ATOM 0 HA PRO A 10 13.820 0.647 -6.475 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.631 -1.310 -7.285 1.00 0.00 H new ATOM 0 HB3 PRO A 10 13.903 -1.450 -7.543 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.035 -0.515 -9.506 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.657 -1.554 -9.810 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.539 1.086 -10.456 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.115 0.265 -9.848 1.00 0.00 H new ATOM 169 N GLU A 11 16.603 2.020 -7.217 1.00 0.00 N ATOM 170 CA GLU A 11 17.704 2.766 -6.600 1.00 0.00 C ATOM 171 C GLU A 11 17.189 3.465 -5.343 1.00 0.00 C ATOM 172 O GLU A 11 17.580 3.148 -4.224 1.00 0.00 O ATOM 173 CB GLU A 11 18.277 3.827 -7.555 1.00 0.00 C ATOM 174 CG GLU A 11 19.040 3.269 -8.759 1.00 0.00 C ATOM 175 CD GLU A 11 20.487 3.761 -8.826 1.00 0.00 C ATOM 176 OE1 GLU A 11 20.727 4.986 -8.745 1.00 0.00 O ATOM 177 OE2 GLU A 11 21.381 2.885 -8.937 1.00 0.00 O ATOM 0 H GLU A 11 16.472 2.236 -8.205 1.00 0.00 H new ATOM 0 HA GLU A 11 18.497 2.059 -6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 11 17.458 4.447 -7.919 1.00 0.00 H new ATOM 0 HB3 GLU A 11 18.944 4.479 -6.991 1.00 0.00 H new ATOM 0 HG2 GLU A 11 19.033 2.180 -8.714 1.00 0.00 H new ATOM 0 HG3 GLU A 11 18.522 3.553 -9.675 1.00 0.00 H new ATOM 184 N LYS A 12 16.238 4.382 -5.538 1.00 0.00 N ATOM 185 CA LYS A 12 15.665 5.224 -4.496 1.00 0.00 C ATOM 186 C LYS A 12 15.142 4.387 -3.337 1.00 0.00 C ATOM 187 O LYS A 12 15.212 4.796 -2.182 1.00 0.00 O ATOM 188 CB LYS A 12 14.520 6.036 -5.129 1.00 0.00 C ATOM 189 CG LYS A 12 13.963 7.131 -4.215 1.00 0.00 C ATOM 190 CD LYS A 12 14.918 8.324 -4.192 1.00 0.00 C ATOM 191 CE LYS A 12 14.403 9.411 -3.259 1.00 0.00 C ATOM 192 NZ LYS A 12 15.376 10.515 -3.172 1.00 0.00 N ATOM 0 H LYS A 12 15.835 4.561 -6.458 1.00 0.00 H new ATOM 0 HA LYS A 12 16.431 5.887 -4.093 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.877 6.493 -6.052 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.712 5.357 -5.401 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.981 7.447 -4.568 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.829 6.741 -3.206 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.906 7.998 -3.868 1.00 0.00 H new ATOM 0 HD3 LYS A 12 15.030 8.726 -5.199 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.447 9.788 -3.622 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.226 8.995 -2.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.011 11.249 -2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.279 10.153 -2.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.524 10.922 -4.117 1.00 0.00 H new ATOM 206 N LEU A 13 14.572 3.229 -3.657 1.00 0.00 N ATOM 207 CA LEU A 13 13.991 2.322 -2.684 1.00 0.00 C ATOM 208 C LEU A 13 15.054 1.765 -1.758 1.00 0.00 C ATOM 209 O LEU A 13 14.785 1.565 -0.573 1.00 0.00 O ATOM 210 CB LEU A 13 13.281 1.179 -3.418 1.00 0.00 C ATOM 211 CG LEU A 13 11.802 1.454 -3.710 1.00 0.00 C ATOM 212 CD1 LEU A 13 10.997 1.429 -2.420 1.00 0.00 C ATOM 213 CD2 LEU A 13 11.527 2.794 -4.403 1.00 0.00 C ATOM 0 H LEU A 13 14.502 2.893 -4.617 1.00 0.00 H new ATOM 0 HA LEU A 13 13.272 2.872 -2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.798 0.988 -4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.361 0.271 -2.820 1.00 0.00 H new ATOM 0 HG LEU A 13 11.502 0.662 -4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.948 1.626 -2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.091 0.449 -1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.374 2.194 -1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.456 2.904 -4.570 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.881 3.609 -3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.048 2.823 -5.360 1.00 0.00 H new ATOM 225 N LYS A 14 16.248 1.488 -2.281 1.00 0.00 N ATOM 226 CA LYS A 14 17.331 1.028 -1.444 1.00 0.00 C ATOM 227 C LYS A 14 17.711 2.154 -0.485 1.00 0.00 C ATOM 228 O LYS A 14 17.696 1.908 0.722 1.00 0.00 O ATOM 229 CB LYS A 14 18.487 0.473 -2.286 1.00 0.00 C ATOM 230 CG LYS A 14 18.434 -1.061 -2.351 1.00 0.00 C ATOM 231 CD LYS A 14 17.447 -1.686 -3.349 1.00 0.00 C ATOM 232 CE LYS A 14 15.981 -1.457 -2.976 1.00 0.00 C ATOM 233 NZ LYS A 14 15.075 -2.551 -3.383 1.00 0.00 N ATOM 0 H LYS A 14 16.479 1.576 -3.271 1.00 0.00 H new ATOM 0 HA LYS A 14 17.023 0.180 -0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 14 18.438 0.885 -3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.438 0.790 -1.858 1.00 0.00 H new ATOM 0 HG2 LYS A 14 19.433 -1.424 -2.591 1.00 0.00 H new ATOM 0 HG3 LYS A 14 18.190 -1.433 -1.356 1.00 0.00 H new ATOM 0 HD2 LYS A 14 17.631 -1.271 -4.340 1.00 0.00 H new ATOM 0 HD3 LYS A 14 17.635 -2.758 -3.412 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.909 -1.323 -1.897 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.641 -0.529 -3.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.102 -2.321 -3.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.112 -2.667 -4.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.372 -3.436 -2.925 1.00 0.00 H new ATOM 247 N GLU A 15 17.901 3.383 -0.983 1.00 0.00 N ATOM 248 CA GLU A 15 18.281 4.558 -0.180 1.00 0.00 C ATOM 249 C GLU A 15 17.314 4.740 0.989 1.00 0.00 C ATOM 250 O GLU A 15 17.707 4.856 2.152 1.00 0.00 O ATOM 251 CB GLU A 15 18.279 5.853 -1.016 1.00 0.00 C ATOM 252 CG GLU A 15 19.094 5.748 -2.296 1.00 0.00 C ATOM 253 CD GLU A 15 19.287 7.119 -2.943 1.00 0.00 C ATOM 254 OE1 GLU A 15 20.218 7.859 -2.547 1.00 0.00 O ATOM 255 OE2 GLU A 15 18.464 7.482 -3.819 1.00 0.00 O ATOM 0 H GLU A 15 17.793 3.595 -1.975 1.00 0.00 H new ATOM 0 HA GLU A 15 19.292 4.375 0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.251 6.111 -1.269 1.00 0.00 H new ATOM 0 HB3 GLU A 15 18.673 6.669 -0.409 1.00 0.00 H new ATOM 0 HG2 GLU A 15 20.066 5.307 -2.076 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.592 5.080 -2.996 1.00 0.00 H new ATOM 262 N LEU A 16 16.022 4.697 0.651 1.00 0.00 N ATOM 263 CA LEU A 16 14.877 4.842 1.554 1.00 0.00 C ATOM 264 C LEU A 16 14.920 3.908 2.764 1.00 0.00 C ATOM 265 O LEU A 16 14.214 4.177 3.737 1.00 0.00 O ATOM 266 CB LEU A 16 13.558 4.639 0.784 1.00 0.00 C ATOM 267 CG LEU A 16 12.710 5.898 0.548 1.00 0.00 C ATOM 268 CD1 LEU A 16 13.503 7.098 0.027 1.00 0.00 C ATOM 269 CD2 LEU A 16 11.620 5.551 -0.471 1.00 0.00 C ATOM 0 H LEU A 16 15.731 4.552 -0.316 1.00 0.00 H new ATOM 0 HA LEU A 16 14.933 5.858 1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.791 4.196 -0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.952 3.915 1.328 1.00 0.00 H new ATOM 0 HG LEU A 16 12.303 6.195 1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.831 7.945 -0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.276 7.364 0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.967 6.842 -0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.002 6.430 -0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.083 5.229 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.998 4.747 -0.079 1.00 0.00 H new ATOM 281 N SER A 17 15.762 2.871 2.739 1.00 0.00 N ATOM 282 CA SER A 17 15.993 1.945 3.836 1.00 0.00 C ATOM 283 C SER A 17 14.732 1.117 4.125 1.00 0.00 C ATOM 284 O SER A 17 14.498 0.708 5.262 1.00 0.00 O ATOM 285 CB SER A 17 16.548 2.712 5.046 1.00 0.00 C ATOM 286 OG SER A 17 17.716 3.445 4.701 1.00 0.00 O ATOM 0 H SER A 17 16.322 2.650 1.916 1.00 0.00 H new ATOM 0 HA SER A 17 16.753 1.212 3.564 1.00 0.00 H new ATOM 0 HB2 SER A 17 15.788 3.394 5.427 1.00 0.00 H new ATOM 0 HB3 SER A 17 16.779 2.012 5.848 1.00 0.00 H new ATOM 0 HG SER A 17 17.535 3.996 3.911 1.00 0.00 H new ATOM 292 N VAL A 18 13.919 0.854 3.093 1.00 0.00 N ATOM 293 CA VAL A 18 12.662 0.119 3.180 1.00 0.00 C ATOM 294 C VAL A 18 12.857 -1.257 3.818 1.00 0.00 C ATOM 295 O VAL A 18 11.964 -1.722 4.516 1.00 0.00 O ATOM 296 CB VAL A 18 11.988 0.039 1.792 1.00 0.00 C ATOM 297 CG1 VAL A 18 10.598 -0.598 1.837 1.00 0.00 C ATOM 298 CG2 VAL A 18 11.820 1.433 1.184 1.00 0.00 C ATOM 0 H VAL A 18 14.131 1.161 2.144 1.00 0.00 H new ATOM 0 HA VAL A 18 11.988 0.665 3.840 1.00 0.00 H new ATOM 0 HB VAL A 18 12.650 -0.582 1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.178 -0.625 0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.676 -1.613 2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.949 -0.010 2.486 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.343 1.349 0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.199 2.043 1.840 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.798 1.901 1.071 1.00 0.00 H new ATOM 308 N GLU A 19 14.023 -1.892 3.665 1.00 0.00 N ATOM 309 CA GLU A 19 14.345 -3.145 4.352 1.00 0.00 C ATOM 310 C GLU A 19 14.191 -3.046 5.879 1.00 0.00 C ATOM 311 O GLU A 19 13.929 -4.065 6.524 1.00 0.00 O ATOM 312 CB GLU A 19 15.780 -3.584 4.009 1.00 0.00 C ATOM 313 CG GLU A 19 16.830 -2.505 4.333 1.00 0.00 C ATOM 314 CD GLU A 19 18.263 -3.029 4.276 1.00 0.00 C ATOM 315 OE1 GLU A 19 18.714 -3.346 3.147 1.00 0.00 O ATOM 316 OE2 GLU A 19 18.928 -3.061 5.337 1.00 0.00 O ATOM 0 H GLU A 19 14.770 -1.551 3.061 1.00 0.00 H new ATOM 0 HA GLU A 19 13.629 -3.887 4.000 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.018 -4.493 4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.835 -3.831 2.949 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.723 -1.679 3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.635 -2.104 5.328 1.00 0.00 H new ATOM 323 N LYS A 20 14.362 -1.856 6.469 1.00 0.00 N ATOM 324 CA LYS A 20 14.325 -1.629 7.912 1.00 0.00 C ATOM 325 C LYS A 20 12.909 -1.332 8.389 1.00 0.00 C ATOM 326 O LYS A 20 12.619 -1.551 9.565 1.00 0.00 O ATOM 327 CB LYS A 20 15.260 -0.466 8.309 1.00 0.00 C ATOM 328 CG LYS A 20 16.686 -0.609 7.748 1.00 0.00 C ATOM 329 CD LYS A 20 17.803 0.049 8.575 1.00 0.00 C ATOM 330 CE LYS A 20 17.872 1.581 8.490 1.00 0.00 C ATOM 331 NZ LYS A 20 16.870 2.266 9.330 1.00 0.00 N ATOM 0 H LYS A 20 14.535 -1.003 5.937 1.00 0.00 H new ATOM 0 HA LYS A 20 14.670 -2.544 8.394 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.831 0.472 7.956 1.00 0.00 H new ATOM 0 HB3 LYS A 20 15.310 -0.405 9.396 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.912 -1.671 7.649 1.00 0.00 H new ATOM 0 HG3 LYS A 20 16.705 -0.184 6.745 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.673 -0.234 9.620 1.00 0.00 H new ATOM 0 HD3 LYS A 20 18.760 -0.359 8.251 1.00 0.00 H new ATOM 0 HE2 LYS A 20 18.868 1.908 8.788 1.00 0.00 H new ATOM 0 HE3 LYS A 20 17.733 1.885 7.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 17.048 3.290 9.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 15.917 2.076 8.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 16.937 1.915 10.307 1.00 0.00 H new ATOM 345 N TRP A 21 12.040 -0.848 7.498 1.00 0.00 N ATOM 346 CA TRP A 21 10.697 -0.411 7.849 1.00 0.00 C ATOM 347 C TRP A 21 9.903 -1.610 8.434 1.00 0.00 C ATOM 348 O TRP A 21 10.246 -2.767 8.158 1.00 0.00 O ATOM 349 CB TRP A 21 10.024 0.185 6.602 1.00 0.00 C ATOM 350 CG TRP A 21 10.623 1.397 5.962 1.00 0.00 C ATOM 351 CD1 TRP A 21 11.764 2.021 6.327 1.00 0.00 C ATOM 352 CD2 TRP A 21 10.108 2.147 4.819 1.00 0.00 C ATOM 353 NE1 TRP A 21 11.994 3.084 5.487 1.00 0.00 N ATOM 354 CE2 TRP A 21 10.991 3.233 4.555 1.00 0.00 C ATOM 355 CE3 TRP A 21 8.983 2.018 3.976 1.00 0.00 C ATOM 356 CZ2 TRP A 21 10.755 4.157 3.526 1.00 0.00 C ATOM 357 CZ3 TRP A 21 8.727 2.947 2.950 1.00 0.00 C ATOM 358 CH2 TRP A 21 9.605 4.023 2.725 1.00 0.00 C ATOM 0 H TRP A 21 12.256 -0.750 6.506 1.00 0.00 H new ATOM 0 HA TRP A 21 10.727 0.365 8.614 1.00 0.00 H new ATOM 0 HB2 TRP A 21 9.981 -0.599 5.846 1.00 0.00 H new ATOM 0 HB3 TRP A 21 8.995 0.428 6.868 1.00 0.00 H new ATOM 0 HD1 TRP A 21 12.398 1.730 7.152 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.811 3.691 5.547 1.00 0.00 H new ATOM 0 HE3 TRP A 21 8.305 1.190 4.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 11.450 4.965 3.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.850 2.833 2.331 1.00 0.00 H new ATOM 0 HH2 TRP A 21 9.399 4.740 1.944 1.00 0.00 H new ATOM 369 N PRO A 22 8.847 -1.403 9.239 1.00 0.00 N ATOM 370 CA PRO A 22 8.129 -2.504 9.884 1.00 0.00 C ATOM 371 C PRO A 22 7.305 -3.320 8.890 1.00 0.00 C ATOM 372 O PRO A 22 6.418 -2.785 8.228 1.00 0.00 O ATOM 373 CB PRO A 22 7.237 -1.853 10.934 1.00 0.00 C ATOM 374 CG PRO A 22 7.053 -0.414 10.446 1.00 0.00 C ATOM 375 CD PRO A 22 8.322 -0.112 9.656 1.00 0.00 C ATOM 0 HA PRO A 22 8.827 -3.214 10.327 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.280 -2.369 11.016 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.700 -1.881 11.920 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.165 -0.317 9.822 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.932 0.276 11.281 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.105 0.519 8.794 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.046 0.425 10.269 1.00 0.00 H new ATOM 383 N ILE A 23 7.557 -4.622 8.777 1.00 0.00 N ATOM 384 CA ILE A 23 6.753 -5.473 7.889 1.00 0.00 C ATOM 385 C ILE A 23 5.302 -5.466 8.386 1.00 0.00 C ATOM 386 O ILE A 23 5.046 -5.440 9.595 1.00 0.00 O ATOM 387 CB ILE A 23 7.353 -6.898 7.773 1.00 0.00 C ATOM 388 CG1 ILE A 23 8.627 -6.816 6.907 1.00 0.00 C ATOM 389 CG2 ILE A 23 6.377 -7.924 7.144 1.00 0.00 C ATOM 390 CD1 ILE A 23 9.495 -8.063 7.010 1.00 0.00 C ATOM 0 H ILE A 23 8.299 -5.110 9.279 1.00 0.00 H new ATOM 0 HA ILE A 23 6.767 -5.074 6.875 1.00 0.00 H new ATOM 0 HB ILE A 23 7.569 -7.249 8.782 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.343 -6.662 5.866 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.211 -5.947 7.210 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.859 -8.900 7.092 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.479 -7.995 7.757 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.106 -7.599 6.139 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.376 -7.946 6.379 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.806 -8.205 8.045 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.925 -8.931 6.680 1.00 0.00 H new ATOM 402 N TRP A 24 4.355 -5.533 7.448 1.00 0.00 N ATOM 403 CA TRP A 24 2.987 -5.916 7.732 1.00 0.00 C ATOM 404 C TRP A 24 2.470 -6.773 6.582 1.00 0.00 C ATOM 405 O TRP A 24 2.839 -6.600 5.414 1.00 0.00 O ATOM 406 CB TRP A 24 2.133 -4.665 7.945 1.00 0.00 C ATOM 407 CG TRP A 24 0.738 -4.897 8.427 1.00 0.00 C ATOM 408 CD1 TRP A 24 0.363 -4.968 9.721 1.00 0.00 C ATOM 409 CD2 TRP A 24 -0.486 -5.071 7.656 1.00 0.00 C ATOM 410 NE1 TRP A 24 -0.997 -5.172 9.803 1.00 0.00 N ATOM 411 CE2 TRP A 24 -1.585 -5.166 8.557 1.00 0.00 C ATOM 412 CE3 TRP A 24 -0.771 -5.185 6.282 1.00 0.00 C ATOM 413 CZ2 TRP A 24 -2.908 -5.269 8.104 1.00 0.00 C ATOM 414 CZ3 TRP A 24 -2.095 -5.207 5.814 1.00 0.00 C ATOM 415 CH2 TRP A 24 -3.164 -5.224 6.725 1.00 0.00 C ATOM 0 H TRP A 24 4.526 -5.320 6.465 1.00 0.00 H new ATOM 0 HA TRP A 24 2.934 -6.504 8.648 1.00 0.00 H new ATOM 0 HB2 TRP A 24 2.641 -4.020 8.662 1.00 0.00 H new ATOM 0 HB3 TRP A 24 2.084 -4.118 7.003 1.00 0.00 H new ATOM 0 HD1 TRP A 24 1.029 -4.878 10.566 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -1.505 -5.310 10.677 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.043 -5.257 5.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.720 -5.382 8.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.291 -5.211 4.752 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -4.182 -5.202 6.365 1.00 0.00 H new ATOM 426 N GLU A 25 1.587 -7.688 6.935 1.00 0.00 N ATOM 427 CA GLU A 25 0.905 -8.651 6.092 1.00 0.00 C ATOM 428 C GLU A 25 -0.541 -8.748 6.577 1.00 0.00 C ATOM 429 O GLU A 25 -0.887 -8.233 7.646 1.00 0.00 O ATOM 430 CB GLU A 25 1.602 -10.023 6.147 1.00 0.00 C ATOM 431 CG GLU A 25 2.334 -10.340 7.464 1.00 0.00 C ATOM 432 CD GLU A 25 2.817 -11.783 7.572 1.00 0.00 C ATOM 433 OE1 GLU A 25 3.014 -12.454 6.524 1.00 0.00 O ATOM 434 OE2 GLU A 25 3.077 -12.216 8.719 1.00 0.00 O ATOM 0 H GLU A 25 1.303 -7.784 7.910 1.00 0.00 H new ATOM 0 HA GLU A 25 0.931 -8.328 5.051 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.856 -10.798 5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.320 -10.080 5.329 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.190 -9.673 7.562 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.667 -10.127 8.299 1.00 0.00 H new ATOM 441 N LYS A 26 -1.399 -9.398 5.792 1.00 0.00 N ATOM 442 CA LYS A 26 -2.734 -9.769 6.234 1.00 0.00 C ATOM 443 C LYS A 26 -3.099 -11.055 5.508 1.00 0.00 C ATOM 444 O LYS A 26 -2.553 -11.329 4.435 1.00 0.00 O ATOM 445 CB LYS A 26 -3.710 -8.610 5.955 1.00 0.00 C ATOM 446 CG LYS A 26 -4.720 -8.331 7.077 1.00 0.00 C ATOM 447 CD LYS A 26 -5.949 -9.238 7.026 1.00 0.00 C ATOM 448 CE LYS A 26 -7.051 -8.668 7.921 1.00 0.00 C ATOM 449 NZ LYS A 26 -8.243 -9.537 7.922 1.00 0.00 N ATOM 0 H LYS A 26 -1.185 -9.680 4.835 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.784 -9.950 7.308 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.132 -7.704 5.772 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.258 -8.829 5.039 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.225 -8.455 8.040 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.042 -7.291 7.016 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.308 -9.322 6.000 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.685 -10.243 7.355 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.676 -8.560 8.939 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.325 -7.672 7.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.973 -9.125 8.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.613 -9.620 6.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.985 -10.480 8.276 1.00 0.00 H new ATOM 463 N GLU A 27 -4.047 -11.796 6.071 1.00 0.00 N ATOM 464 CA GLU A 27 -4.654 -12.954 5.447 1.00 0.00 C ATOM 465 C GLU A 27 -5.293 -12.587 4.118 1.00 0.00 C ATOM 466 O GLU A 27 -5.510 -11.421 3.772 1.00 0.00 O ATOM 467 CB GLU A 27 -5.747 -13.510 6.375 1.00 0.00 C ATOM 468 CG GLU A 27 -5.978 -15.024 6.409 1.00 0.00 C ATOM 469 CD GLU A 27 -4.747 -15.833 6.819 1.00 0.00 C ATOM 470 OE1 GLU A 27 -3.903 -15.348 7.598 1.00 0.00 O ATOM 471 OE2 GLU A 27 -4.596 -16.967 6.313 1.00 0.00 O ATOM 0 H GLU A 27 -4.421 -11.598 6.999 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.875 -13.697 5.273 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.515 -13.187 7.390 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.689 -13.037 6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.790 -15.242 7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.304 -15.353 5.423 1.00 0.00 H new ATOM 478 N VAL A 28 -5.713 -13.646 3.453 1.00 0.00 N ATOM 479 CA VAL A 28 -6.546 -13.619 2.263 1.00 0.00 C ATOM 480 C VAL A 28 -7.994 -13.315 2.676 1.00 0.00 C ATOM 481 O VAL A 28 -8.892 -14.157 2.585 1.00 0.00 O ATOM 482 CB VAL A 28 -6.307 -14.915 1.455 1.00 0.00 C ATOM 483 CG1 VAL A 28 -6.758 -16.221 2.137 1.00 0.00 C ATOM 484 CG2 VAL A 28 -6.916 -14.791 0.054 1.00 0.00 C ATOM 0 H VAL A 28 -5.472 -14.594 3.740 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.284 -12.816 1.574 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.223 -15.007 1.389 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.543 -17.066 1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.221 -16.345 3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.829 -16.178 2.334 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.739 -15.712 -0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.989 -14.618 0.138 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.454 -13.955 -0.471 1.00 0.00 H new ATOM 494 N SER A 29 -8.242 -12.114 3.196 1.00 0.00 N ATOM 495 CA SER A 29 -9.586 -11.655 3.475 1.00 0.00 C ATOM 496 C SER A 29 -9.649 -10.154 3.361 1.00 0.00 C ATOM 497 O SER A 29 -8.657 -9.444 3.546 1.00 0.00 O ATOM 498 CB SER A 29 -10.033 -12.096 4.867 1.00 0.00 C ATOM 499 OG SER A 29 -11.397 -12.473 4.872 1.00 0.00 O ATOM 0 H SER A 29 -7.514 -11.440 3.432 1.00 0.00 H new ATOM 0 HA SER A 29 -10.262 -12.099 2.744 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.420 -12.934 5.200 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.875 -11.284 5.577 1.00 0.00 H new ATOM 0 HG SER A 29 -11.656 -12.752 5.775 1.00 0.00 H new ATOM 505 N GLU A 30 -10.867 -9.700 3.107 1.00 0.00 N ATOM 506 CA GLU A 30 -11.126 -8.286 2.927 1.00 0.00 C ATOM 507 C GLU A 30 -11.169 -7.603 4.282 1.00 0.00 C ATOM 508 O GLU A 30 -11.337 -8.258 5.315 1.00 0.00 O ATOM 509 CB GLU A 30 -12.397 -7.979 2.115 1.00 0.00 C ATOM 510 CG GLU A 30 -13.765 -8.096 2.824 1.00 0.00 C ATOM 511 CD GLU A 30 -14.841 -7.159 2.253 1.00 0.00 C ATOM 512 OE1 GLU A 30 -14.670 -6.615 1.140 1.00 0.00 O ATOM 513 OE2 GLU A 30 -15.878 -6.971 2.938 1.00 0.00 O ATOM 0 H GLU A 30 -11.691 -10.295 3.021 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.304 -7.888 2.332 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.308 -6.963 1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.411 -8.647 1.254 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.116 -9.125 2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.634 -7.880 3.884 1.00 0.00 H new ATOM 520 N PHE A 31 -11.099 -6.283 4.256 1.00 0.00 N ATOM 521 CA PHE A 31 -11.427 -5.381 5.350 1.00 0.00 C ATOM 522 C PHE A 31 -11.584 -4.006 4.710 1.00 0.00 C ATOM 523 O PHE A 31 -11.559 -3.864 3.484 1.00 0.00 O ATOM 524 CB PHE A 31 -10.329 -5.397 6.433 1.00 0.00 C ATOM 525 CG PHE A 31 -8.917 -5.418 5.886 1.00 0.00 C ATOM 526 CD1 PHE A 31 -8.326 -6.652 5.569 1.00 0.00 C ATOM 527 CD2 PHE A 31 -8.217 -4.224 5.636 1.00 0.00 C ATOM 528 CE1 PHE A 31 -7.049 -6.697 5.002 1.00 0.00 C ATOM 529 CE2 PHE A 31 -6.921 -4.272 5.087 1.00 0.00 C ATOM 530 CZ PHE A 31 -6.342 -5.511 4.766 1.00 0.00 C ATOM 0 H PHE A 31 -10.794 -5.781 3.422 1.00 0.00 H new ATOM 0 HA PHE A 31 -12.341 -5.679 5.864 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.448 -4.519 7.068 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -10.474 -6.271 7.068 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.860 -7.570 5.764 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.673 -3.272 5.865 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.607 -7.648 4.745 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.373 -3.358 4.913 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.352 -5.549 4.337 1.00 0.00 H new ATOM 540 N ASP A 32 -11.751 -2.965 5.508 1.00 0.00 N ATOM 541 CA ASP A 32 -11.568 -1.592 5.083 1.00 0.00 C ATOM 542 C ASP A 32 -10.597 -0.946 6.049 1.00 0.00 C ATOM 543 O ASP A 32 -10.589 -1.266 7.236 1.00 0.00 O ATOM 544 CB ASP A 32 -12.896 -0.837 4.976 1.00 0.00 C ATOM 545 CG ASP A 32 -13.598 -0.654 6.313 1.00 0.00 C ATOM 546 OD1 ASP A 32 -14.087 -1.677 6.844 1.00 0.00 O ATOM 547 OD2 ASP A 32 -13.687 0.515 6.743 1.00 0.00 O ATOM 0 H ASP A 32 -12.023 -3.055 6.487 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.156 -1.559 4.075 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.714 0.142 4.533 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.558 -1.376 4.298 1.00 0.00 H new ATOM 552 N TRP A 33 -9.706 -0.124 5.503 1.00 0.00 N ATOM 553 CA TRP A 33 -8.622 0.485 6.255 1.00 0.00 C ATOM 554 C TRP A 33 -8.840 1.994 6.315 1.00 0.00 C ATOM 555 O TRP A 33 -9.212 2.596 5.297 1.00 0.00 O ATOM 556 CB TRP A 33 -7.295 0.133 5.576 1.00 0.00 C ATOM 557 CG TRP A 33 -6.117 0.164 6.489 1.00 0.00 C ATOM 558 CD1 TRP A 33 -5.306 1.220 6.705 1.00 0.00 C ATOM 559 CD2 TRP A 33 -5.634 -0.893 7.369 1.00 0.00 C ATOM 560 NE1 TRP A 33 -4.300 0.850 7.571 1.00 0.00 N ATOM 561 CE2 TRP A 33 -4.458 -0.437 8.026 1.00 0.00 C ATOM 562 CE3 TRP A 33 -6.091 -2.182 7.701 1.00 0.00 C ATOM 563 CZ2 TRP A 33 -3.751 -1.231 8.938 1.00 0.00 C ATOM 564 CZ3 TRP A 33 -5.397 -2.990 8.616 1.00 0.00 C ATOM 565 CH2 TRP A 33 -4.222 -2.520 9.232 1.00 0.00 C ATOM 0 H TRP A 33 -9.719 0.138 4.517 1.00 0.00 H new ATOM 0 HA TRP A 33 -8.597 0.108 7.277 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -7.376 -0.862 5.138 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -7.123 0.829 4.755 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -5.426 2.200 6.268 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -3.529 1.460 7.842 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -6.994 -2.557 7.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.854 -0.856 9.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -5.767 -3.978 8.848 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.685 -3.148 9.928 1.00 0.00 H new ATOM 576 N TYR A 34 -8.557 2.603 7.470 1.00 0.00 N ATOM 577 CA TYR A 34 -8.470 4.048 7.619 1.00 0.00 C ATOM 578 C TYR A 34 -6.984 4.388 7.754 1.00 0.00 C ATOM 579 O TYR A 34 -6.331 3.987 8.725 1.00 0.00 O ATOM 580 CB TYR A 34 -9.352 4.568 8.773 1.00 0.00 C ATOM 581 CG TYR A 34 -9.564 6.076 8.726 1.00 0.00 C ATOM 582 CD1 TYR A 34 -8.497 6.942 9.017 1.00 0.00 C ATOM 583 CD2 TYR A 34 -10.806 6.627 8.348 1.00 0.00 C ATOM 584 CE1 TYR A 34 -8.635 8.328 8.840 1.00 0.00 C ATOM 585 CE2 TYR A 34 -10.957 8.014 8.167 1.00 0.00 C ATOM 586 CZ TYR A 34 -9.850 8.868 8.365 1.00 0.00 C ATOM 587 OH TYR A 34 -9.942 10.199 8.103 1.00 0.00 O ATOM 0 H TYR A 34 -8.380 2.094 8.336 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.873 4.563 6.747 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.320 4.069 8.736 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.891 4.301 9.724 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.563 6.539 9.380 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.653 5.975 8.195 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.808 8.984 9.068 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.914 8.423 7.878 1.00 0.00 H new ATOM 0 HH TYR A 34 -10.844 10.408 7.783 1.00 0.00 H new ATOM 597 N TYR A 35 -6.428 5.060 6.747 1.00 0.00 N ATOM 598 CA TYR A 35 -5.077 5.603 6.773 1.00 0.00 C ATOM 599 C TYR A 35 -5.145 6.965 7.441 1.00 0.00 C ATOM 600 O TYR A 35 -5.890 7.843 6.997 1.00 0.00 O ATOM 601 CB TYR A 35 -4.504 5.696 5.358 1.00 0.00 C ATOM 602 CG TYR A 35 -4.230 4.324 4.790 1.00 0.00 C ATOM 603 CD1 TYR A 35 -3.126 3.605 5.279 1.00 0.00 C ATOM 604 CD2 TYR A 35 -5.114 3.727 3.870 1.00 0.00 C ATOM 605 CE1 TYR A 35 -2.910 2.279 4.878 1.00 0.00 C ATOM 606 CE2 TYR A 35 -4.898 2.398 3.459 1.00 0.00 C ATOM 607 CZ TYR A 35 -3.802 1.665 3.977 1.00 0.00 C ATOM 608 OH TYR A 35 -3.606 0.366 3.622 1.00 0.00 O ATOM 0 H TYR A 35 -6.918 5.244 5.872 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.409 4.950 7.335 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.204 6.227 4.713 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.582 6.277 5.373 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.440 4.076 5.967 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.953 4.286 3.482 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.062 1.730 5.259 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.568 1.937 2.748 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.157 0.154 2.839 1.00 0.00 H new ATOM 618 N ASP A 36 -4.427 7.121 8.546 1.00 0.00 N ATOM 619 CA ASP A 36 -4.698 8.147 9.540 1.00 0.00 C ATOM 620 C ASP A 36 -3.528 9.090 9.777 1.00 0.00 C ATOM 621 O ASP A 36 -3.729 10.096 10.456 1.00 0.00 O ATOM 622 CB ASP A 36 -5.233 7.516 10.828 1.00 0.00 C ATOM 623 CG ASP A 36 -4.212 7.195 11.916 1.00 0.00 C ATOM 624 OD1 ASP A 36 -3.048 6.842 11.630 1.00 0.00 O ATOM 625 OD2 ASP A 36 -4.623 7.177 13.100 1.00 0.00 O ATOM 0 H ASP A 36 -3.629 6.529 8.778 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.480 8.790 9.135 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.979 8.189 11.251 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.749 6.593 10.564 1.00 0.00 H new ATOM 630 N THR A 37 -2.383 8.803 9.151 1.00 0.00 N ATOM 631 CA THR A 37 -1.186 9.606 8.915 1.00 0.00 C ATOM 632 C THR A 37 -0.702 9.275 7.507 1.00 0.00 C ATOM 633 O THR A 37 -1.337 8.495 6.791 1.00 0.00 O ATOM 634 CB THR A 37 -0.145 9.424 10.035 1.00 0.00 C ATOM 635 OG1 THR A 37 -0.127 8.102 10.522 1.00 0.00 O ATOM 636 CG2 THR A 37 -0.485 10.431 11.140 1.00 0.00 C ATOM 0 H THR A 37 -2.262 7.875 8.744 1.00 0.00 H new ATOM 0 HA THR A 37 -1.396 10.675 8.956 1.00 0.00 H new ATOM 0 HB THR A 37 0.858 9.609 9.651 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.546 8.023 11.230 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.232 10.333 11.955 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.440 11.443 10.737 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.489 10.234 11.515 1.00 0.00 H new ATOM 644 N ASN A 38 0.331 9.971 7.034 1.00 0.00 N ATOM 645 CA ASN A 38 0.850 9.706 5.702 1.00 0.00 C ATOM 646 C ASN A 38 1.461 8.327 5.791 1.00 0.00 C ATOM 647 O ASN A 38 2.258 8.078 6.694 1.00 0.00 O ATOM 648 CB ASN A 38 1.934 10.699 5.293 1.00 0.00 C ATOM 649 CG ASN A 38 1.516 12.137 5.437 1.00 0.00 C ATOM 650 OD1 ASN A 38 0.902 12.705 4.530 1.00 0.00 O ATOM 651 ND2 ASN A 38 1.831 12.731 6.572 1.00 0.00 N ATOM 0 H ASN A 38 0.815 10.709 7.546 1.00 0.00 H new ATOM 0 HA ASN A 38 0.055 9.790 4.961 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.823 10.525 5.900 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.214 10.512 4.256 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.566 13.703 6.730 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.340 12.218 7.292 1.00 0.00 H new ATOM 658 N GLU A 39 1.112 7.436 4.876 1.00 0.00 N ATOM 659 CA GLU A 39 1.596 6.078 4.956 1.00 0.00 C ATOM 660 C GLU A 39 2.036 5.676 3.569 1.00 0.00 C ATOM 661 O GLU A 39 1.210 5.521 2.666 1.00 0.00 O ATOM 662 CB GLU A 39 0.528 5.171 5.564 1.00 0.00 C ATOM 663 CG GLU A 39 1.170 3.827 5.907 1.00 0.00 C ATOM 664 CD GLU A 39 0.197 2.894 6.615 1.00 0.00 C ATOM 665 OE1 GLU A 39 -0.565 3.328 7.508 1.00 0.00 O ATOM 666 OE2 GLU A 39 0.202 1.702 6.259 1.00 0.00 O ATOM 0 H GLU A 39 0.503 7.630 4.081 1.00 0.00 H new ATOM 0 HA GLU A 39 2.454 5.985 5.621 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.107 5.629 6.459 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.294 5.030 4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.528 3.352 4.993 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.040 3.993 6.542 1.00 0.00 H new ATOM 673 N THR A 40 3.343 5.588 3.372 1.00 0.00 N ATOM 674 CA THR A 40 3.915 4.948 2.206 1.00 0.00 C ATOM 675 C THR A 40 3.780 3.436 2.418 1.00 0.00 C ATOM 676 O THR A 40 3.966 2.969 3.542 1.00 0.00 O ATOM 677 CB THR A 40 5.372 5.431 2.089 1.00 0.00 C ATOM 678 OG1 THR A 40 5.395 6.846 1.964 1.00 0.00 O ATOM 679 CG2 THR A 40 6.104 4.873 0.881 1.00 0.00 C ATOM 0 H THR A 40 4.036 5.961 4.021 1.00 0.00 H new ATOM 0 HA THR A 40 3.415 5.197 1.270 1.00 0.00 H new ATOM 0 HB THR A 40 5.873 5.079 2.991 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.889 7.112 1.168 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.124 5.257 0.864 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.127 3.785 0.940 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.587 5.176 -0.030 1.00 0.00 H new ATOM 687 N CYS A 41 3.503 2.648 1.376 1.00 0.00 N ATOM 688 CA CYS A 41 3.822 1.226 1.406 1.00 0.00 C ATOM 689 C CYS A 41 4.393 0.770 0.074 1.00 0.00 C ATOM 690 O CYS A 41 3.998 1.243 -0.993 1.00 0.00 O ATOM 691 CB CYS A 41 2.649 0.333 1.845 1.00 0.00 C ATOM 692 SG CYS A 41 1.157 0.588 0.846 1.00 0.00 S ATOM 0 H CYS A 41 3.064 2.969 0.513 1.00 0.00 H new ATOM 0 HA CYS A 41 4.584 1.107 2.176 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.950 -0.712 1.779 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.418 0.533 2.891 1.00 0.00 H new ATOM 0 HG CYS A 41 0.212 -0.197 1.270 1.00 0.00 H new ATOM 698 N TYR A 42 5.305 -0.188 0.167 1.00 0.00 N ATOM 699 CA TYR A 42 6.015 -0.803 -0.927 1.00 0.00 C ATOM 700 C TYR A 42 5.636 -2.278 -0.946 1.00 0.00 C ATOM 701 O TYR A 42 5.918 -3.003 0.012 1.00 0.00 O ATOM 702 CB TYR A 42 7.516 -0.588 -0.725 1.00 0.00 C ATOM 703 CG TYR A 42 8.309 -1.221 -1.838 1.00 0.00 C ATOM 704 CD1 TYR A 42 8.224 -0.658 -3.118 1.00 0.00 C ATOM 705 CD2 TYR A 42 9.044 -2.399 -1.627 1.00 0.00 C ATOM 706 CE1 TYR A 42 8.895 -1.246 -4.197 1.00 0.00 C ATOM 707 CE2 TYR A 42 9.688 -3.022 -2.710 1.00 0.00 C ATOM 708 CZ TYR A 42 9.604 -2.448 -3.998 1.00 0.00 C ATOM 709 OH TYR A 42 10.212 -3.047 -5.052 1.00 0.00 O ATOM 0 H TYR A 42 5.580 -0.575 1.070 1.00 0.00 H new ATOM 0 HA TYR A 42 5.752 -0.363 -1.889 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.731 0.480 -0.683 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.822 -1.013 0.231 1.00 0.00 H new ATOM 0 HD1 TYR A 42 7.637 0.235 -3.273 1.00 0.00 H new ATOM 0 HD2 TYR A 42 9.114 -2.824 -0.637 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.870 -0.783 -5.172 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.244 -3.935 -2.558 1.00 0.00 H new ATOM 0 HH TYR A 42 10.659 -3.865 -4.750 1.00 0.00 H new ATOM 719 N ILE A 43 4.921 -2.694 -1.988 1.00 0.00 N ATOM 720 CA ILE A 43 4.405 -4.048 -2.132 1.00 0.00 C ATOM 721 C ILE A 43 5.543 -4.947 -2.636 1.00 0.00 C ATOM 722 O ILE A 43 6.194 -4.603 -3.630 1.00 0.00 O ATOM 723 CB ILE A 43 3.232 -4.042 -3.134 1.00 0.00 C ATOM 724 CG1 ILE A 43 2.131 -2.972 -2.915 1.00 0.00 C ATOM 725 CG2 ILE A 43 2.592 -5.437 -3.183 1.00 0.00 C ATOM 726 CD1 ILE A 43 1.383 -3.037 -1.578 1.00 0.00 C ATOM 0 H ILE A 43 4.681 -2.085 -2.770 1.00 0.00 H new ATOM 0 HA ILE A 43 4.041 -4.426 -1.177 1.00 0.00 H new ATOM 0 HB ILE A 43 3.690 -3.764 -4.083 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.588 -1.986 -3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.402 -3.060 -3.721 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.763 -5.432 -3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.336 -6.168 -3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.222 -5.702 -2.193 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.639 -2.242 -1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.887 -4.003 -1.485 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.091 -2.913 -0.759 1.00 0.00 H new ATOM 738 N LEU A 44 5.760 -6.110 -2.005 1.00 0.00 N ATOM 739 CA LEU A 44 6.795 -7.062 -2.425 1.00 0.00 C ATOM 740 C LEU A 44 6.205 -8.364 -2.938 1.00 0.00 C ATOM 741 O LEU A 44 6.839 -9.015 -3.765 1.00 0.00 O ATOM 742 CB LEU A 44 7.790 -7.353 -1.294 1.00 0.00 C ATOM 743 CG LEU A 44 8.576 -6.088 -0.902 1.00 0.00 C ATOM 744 CD1 LEU A 44 8.141 -5.594 0.477 1.00 0.00 C ATOM 745 CD2 LEU A 44 10.087 -6.330 -0.922 1.00 0.00 C ATOM 0 H LEU A 44 5.224 -6.415 -1.192 1.00 0.00 H new ATOM 0 HA LEU A 44 7.329 -6.585 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.255 -7.735 -0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.484 -8.132 -1.609 1.00 0.00 H new ATOM 0 HG LEU A 44 8.351 -5.321 -1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.707 -4.700 0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.077 -5.358 0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.329 -6.371 1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.606 -5.414 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.338 -7.122 -0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.395 -6.627 -1.925 1.00 0.00 H new ATOM 757 N GLU A 45 5.008 -8.747 -2.492 1.00 0.00 N ATOM 758 CA GLU A 45 4.365 -9.988 -2.897 1.00 0.00 C ATOM 759 C GLU A 45 2.873 -9.938 -2.551 1.00 0.00 C ATOM 760 O GLU A 45 2.494 -9.236 -1.608 1.00 0.00 O ATOM 761 CB GLU A 45 5.092 -11.161 -2.215 1.00 0.00 C ATOM 762 CG GLU A 45 5.080 -11.141 -0.669 1.00 0.00 C ATOM 763 CD GLU A 45 6.423 -11.571 -0.050 1.00 0.00 C ATOM 764 OE1 GLU A 45 6.763 -12.776 -0.093 1.00 0.00 O ATOM 765 OE2 GLU A 45 7.154 -10.706 0.498 1.00 0.00 O ATOM 0 H GLU A 45 4.456 -8.197 -1.834 1.00 0.00 H new ATOM 0 HA GLU A 45 4.433 -10.129 -3.976 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.638 -12.093 -2.553 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.128 -11.170 -2.553 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.834 -10.136 -0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.292 -11.803 -0.309 1.00 0.00 H new ATOM 772 N GLY A 46 2.037 -10.667 -3.303 1.00 0.00 N ATOM 773 CA GLY A 46 0.575 -10.691 -3.181 1.00 0.00 C ATOM 774 C GLY A 46 -0.128 -9.966 -4.333 1.00 0.00 C ATOM 775 O GLY A 46 0.533 -9.408 -5.217 1.00 0.00 O ATOM 0 H GLY A 46 2.376 -11.281 -4.043 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.235 -11.726 -3.147 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.286 -10.229 -2.237 1.00 0.00 H new ATOM 779 N LYS A 47 -1.467 -9.881 -4.288 1.00 0.00 N ATOM 780 CA LYS A 47 -2.293 -9.077 -5.197 1.00 0.00 C ATOM 781 C LYS A 47 -3.331 -8.355 -4.353 1.00 0.00 C ATOM 782 O LYS A 47 -3.914 -8.903 -3.414 1.00 0.00 O ATOM 783 CB LYS A 47 -3.002 -9.918 -6.280 1.00 0.00 C ATOM 784 CG LYS A 47 -2.925 -9.397 -7.738 1.00 0.00 C ATOM 785 CD LYS A 47 -3.393 -7.965 -8.077 1.00 0.00 C ATOM 786 CE LYS A 47 -4.891 -7.651 -7.906 1.00 0.00 C ATOM 787 NZ LYS A 47 -5.758 -8.174 -8.994 1.00 0.00 N ATOM 0 H LYS A 47 -2.020 -10.386 -3.596 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.642 -8.383 -5.728 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.582 -10.924 -6.257 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.054 -10.005 -6.007 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.886 -9.481 -8.057 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.505 -10.082 -8.357 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.830 -7.270 -7.454 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.121 -7.758 -9.112 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.230 -8.066 -6.957 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.018 -6.570 -7.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.639 -7.622 -9.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.260 -8.094 -9.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.982 -9.173 -8.809 1.00 0.00 H new ATOM 801 N VAL A 48 -3.602 -7.133 -4.766 1.00 0.00 N ATOM 802 CA VAL A 48 -4.463 -6.135 -4.183 1.00 0.00 C ATOM 803 C VAL A 48 -5.394 -5.421 -5.103 1.00 0.00 C ATOM 804 O VAL A 48 -5.009 -5.037 -6.200 1.00 0.00 O ATOM 805 CB VAL A 48 -3.827 -5.426 -2.983 1.00 0.00 C ATOM 806 CG1 VAL A 48 -2.327 -5.170 -2.978 1.00 0.00 C ATOM 807 CG2 VAL A 48 -4.725 -4.339 -2.358 1.00 0.00 C ATOM 0 H VAL A 48 -3.170 -6.779 -5.620 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.278 -6.658 -3.683 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.804 -6.231 -2.248 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.048 -4.660 -2.056 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.796 -6.119 -3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.061 -4.546 -3.832 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.208 -3.881 -1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.947 -3.577 -3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.655 -4.790 -2.012 1.00 0.00 H new ATOM 817 N GLU A 49 -6.626 -5.262 -4.623 1.00 0.00 N ATOM 818 CA GLU A 49 -7.529 -4.258 -5.091 1.00 0.00 C ATOM 819 C GLU A 49 -8.014 -3.425 -3.902 1.00 0.00 C ATOM 820 O GLU A 49 -8.715 -3.925 -3.023 1.00 0.00 O ATOM 821 CB GLU A 49 -8.663 -4.930 -5.879 1.00 0.00 C ATOM 822 CG GLU A 49 -8.287 -5.150 -7.351 1.00 0.00 C ATOM 823 CD GLU A 49 -8.984 -6.366 -7.963 1.00 0.00 C ATOM 824 OE1 GLU A 49 -10.203 -6.550 -7.715 1.00 0.00 O ATOM 825 OE2 GLU A 49 -8.289 -7.130 -8.668 1.00 0.00 O ATOM 0 H GLU A 49 -7.015 -5.848 -3.884 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.038 -3.567 -5.776 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.906 -5.888 -5.420 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.560 -4.313 -5.822 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.547 -4.260 -7.925 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.207 -5.277 -7.431 1.00 0.00 H new ATOM 832 N VAL A 50 -7.632 -2.154 -3.840 1.00 0.00 N ATOM 833 CA VAL A 50 -8.218 -1.165 -2.939 1.00 0.00 C ATOM 834 C VAL A 50 -9.348 -0.488 -3.710 1.00 0.00 C ATOM 835 O VAL A 50 -9.193 -0.210 -4.898 1.00 0.00 O ATOM 836 CB VAL A 50 -7.117 -0.186 -2.475 1.00 0.00 C ATOM 837 CG1 VAL A 50 -7.646 0.989 -1.646 1.00 0.00 C ATOM 838 CG2 VAL A 50 -6.113 -0.953 -1.614 1.00 0.00 C ATOM 0 H VAL A 50 -6.890 -1.773 -4.427 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.631 -1.607 -2.032 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.666 0.228 -3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.816 1.633 -1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.359 1.561 -2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.140 0.610 -0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.329 -0.275 -1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.623 -1.374 -0.748 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.670 -1.758 -2.201 1.00 0.00 H new ATOM 848 N THR A 51 -10.479 -0.221 -3.057 1.00 0.00 N ATOM 849 CA THR A 51 -11.604 0.467 -3.677 1.00 0.00 C ATOM 850 C THR A 51 -12.120 1.500 -2.678 1.00 0.00 C ATOM 851 O THR A 51 -12.550 1.152 -1.571 1.00 0.00 O ATOM 852 CB THR A 51 -12.666 -0.537 -4.162 1.00 0.00 C ATOM 853 OG1 THR A 51 -12.095 -1.454 -5.075 1.00 0.00 O ATOM 854 CG2 THR A 51 -13.800 0.161 -4.922 1.00 0.00 C ATOM 0 H THR A 51 -10.638 -0.477 -2.083 1.00 0.00 H new ATOM 0 HA THR A 51 -11.302 0.996 -4.581 1.00 0.00 H new ATOM 0 HB THR A 51 -13.048 -1.033 -3.270 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.780 -2.087 -5.374 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.530 -0.580 -5.248 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.286 0.884 -4.267 1.00 0.00 H new ATOM 0 HG23 THR A 51 -13.392 0.676 -5.792 1.00 0.00 H new ATOM 862 N THR A 52 -12.007 2.776 -3.037 1.00 0.00 N ATOM 863 CA THR A 52 -12.416 3.909 -2.219 1.00 0.00 C ATOM 864 C THR A 52 -13.947 4.014 -2.154 1.00 0.00 C ATOM 865 O THR A 52 -14.666 3.221 -2.770 1.00 0.00 O ATOM 866 CB THR A 52 -11.745 5.175 -2.787 1.00 0.00 C ATOM 867 OG1 THR A 52 -11.997 5.253 -4.178 1.00 0.00 O ATOM 868 CG2 THR A 52 -10.228 5.171 -2.547 1.00 0.00 C ATOM 0 H THR A 52 -11.615 3.057 -3.936 1.00 0.00 H new ATOM 0 HA THR A 52 -12.090 3.779 -1.187 1.00 0.00 H new ATOM 0 HB THR A 52 -12.166 6.039 -2.273 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.573 6.058 -4.543 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.792 6.080 -2.962 1.00 0.00 H new ATOM 0 HG22 THR A 52 -10.029 5.129 -1.476 1.00 0.00 H new ATOM 0 HG23 THR A 52 -9.785 4.301 -3.033 1.00 0.00 H new ATOM 876 N GLU A 53 -14.461 4.998 -1.408 1.00 0.00 N ATOM 877 CA GLU A 53 -15.883 5.343 -1.407 1.00 0.00 C ATOM 878 C GLU A 53 -16.368 5.623 -2.835 1.00 0.00 C ATOM 879 O GLU A 53 -17.487 5.262 -3.201 1.00 0.00 O ATOM 880 CB GLU A 53 -16.115 6.541 -0.461 1.00 0.00 C ATOM 881 CG GLU A 53 -15.619 7.906 -0.991 1.00 0.00 C ATOM 882 CD GLU A 53 -15.176 8.879 0.112 1.00 0.00 C ATOM 883 OE1 GLU A 53 -14.027 8.724 0.580 1.00 0.00 O ATOM 884 OE2 GLU A 53 -15.902 9.854 0.428 1.00 0.00 O ATOM 0 H GLU A 53 -13.898 5.579 -0.786 1.00 0.00 H new ATOM 0 HA GLU A 53 -16.470 4.503 -1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -17.182 6.617 -0.252 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.618 6.336 0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.784 7.739 -1.671 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.416 8.370 -1.573 1.00 0.00 H new ATOM 891 N ASP A 54 -15.479 6.198 -3.646 1.00 0.00 N ATOM 892 CA ASP A 54 -15.700 6.733 -4.981 1.00 0.00 C ATOM 893 C ASP A 54 -15.737 5.648 -6.067 1.00 0.00 C ATOM 894 O ASP A 54 -15.821 5.977 -7.251 1.00 0.00 O ATOM 895 CB ASP A 54 -14.572 7.744 -5.268 1.00 0.00 C ATOM 896 CG ASP A 54 -15.128 9.132 -5.545 1.00 0.00 C ATOM 897 OD1 ASP A 54 -15.932 9.288 -6.492 1.00 0.00 O ATOM 898 OD2 ASP A 54 -14.777 10.066 -4.797 1.00 0.00 O ATOM 0 H ASP A 54 -14.507 6.308 -3.358 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.680 7.210 -5.008 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.893 7.786 -4.416 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.988 7.407 -6.124 1.00 0.00 H new ATOM 903 N GLY A 55 -15.597 4.365 -5.702 1.00 0.00 N ATOM 904 CA GLY A 55 -15.672 3.243 -6.650 1.00 0.00 C ATOM 905 C GLY A 55 -14.485 3.144 -7.618 1.00 0.00 C ATOM 906 O GLY A 55 -14.460 2.269 -8.491 1.00 0.00 O ATOM 0 H GLY A 55 -15.428 4.075 -4.739 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.743 2.313 -6.087 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -16.590 3.335 -7.230 1.00 0.00 H new ATOM 910 N LYS A 56 -13.473 4.006 -7.483 1.00 0.00 N ATOM 911 CA LYS A 56 -12.197 3.803 -8.160 1.00 0.00 C ATOM 912 C LYS A 56 -11.580 2.543 -7.565 1.00 0.00 C ATOM 913 O LYS A 56 -11.231 2.533 -6.382 1.00 0.00 O ATOM 914 CB LYS A 56 -11.267 5.018 -7.999 1.00 0.00 C ATOM 915 CG LYS A 56 -11.614 6.225 -8.893 1.00 0.00 C ATOM 916 CD LYS A 56 -10.949 6.213 -10.284 1.00 0.00 C ATOM 917 CE LYS A 56 -11.617 5.246 -11.271 1.00 0.00 C ATOM 918 NZ LYS A 56 -10.921 5.199 -12.572 1.00 0.00 N ATOM 0 H LYS A 56 -13.516 4.849 -6.911 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.348 3.689 -9.233 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.289 5.338 -6.957 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.245 4.706 -8.215 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.695 6.263 -9.023 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.323 7.139 -8.375 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.975 7.220 -10.700 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.899 5.941 -10.174 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.639 4.246 -10.837 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.653 5.548 -11.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.410 4.533 -13.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.922 6.146 -13.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.940 4.885 -12.430 1.00 0.00 H new ATOM 932 N LYS A 57 -11.489 1.475 -8.362 1.00 0.00 N ATOM 933 CA LYS A 57 -10.626 0.348 -8.030 1.00 0.00 C ATOM 934 C LYS A 57 -9.193 0.835 -8.199 1.00 0.00 C ATOM 935 O LYS A 57 -8.909 1.644 -9.083 1.00 0.00 O ATOM 936 CB LYS A 57 -10.879 -0.853 -8.964 1.00 0.00 C ATOM 937 CG LYS A 57 -11.787 -1.950 -8.399 1.00 0.00 C ATOM 938 CD LYS A 57 -13.274 -1.591 -8.274 1.00 0.00 C ATOM 939 CE LYS A 57 -14.002 -1.575 -9.629 1.00 0.00 C ATOM 940 NZ LYS A 57 -14.452 -0.224 -10.023 1.00 0.00 N ATOM 0 H LYS A 57 -12.002 1.371 -9.238 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.825 0.010 -7.013 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.319 -0.484 -9.891 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.918 -1.298 -9.222 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.698 -2.831 -9.034 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.416 -2.229 -7.413 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.761 -2.308 -7.614 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.368 -0.611 -7.805 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.338 -1.970 -10.398 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.864 -2.240 -9.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.450 -0.261 -10.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.350 0.425 -9.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.873 0.117 -10.817 1.00 0.00 H new ATOM 954 N TYR A 58 -8.269 0.280 -7.431 1.00 0.00 N ATOM 955 CA TYR A 58 -6.840 0.466 -7.585 1.00 0.00 C ATOM 956 C TYR A 58 -6.232 -0.912 -7.430 1.00 0.00 C ATOM 957 O TYR A 58 -6.455 -1.547 -6.401 1.00 0.00 O ATOM 958 CB TYR A 58 -6.286 1.413 -6.521 1.00 0.00 C ATOM 959 CG TYR A 58 -6.801 2.843 -6.570 1.00 0.00 C ATOM 960 CD1 TYR A 58 -8.019 3.170 -5.942 1.00 0.00 C ATOM 961 CD2 TYR A 58 -6.024 3.867 -7.144 1.00 0.00 C ATOM 962 CE1 TYR A 58 -8.440 4.510 -5.866 1.00 0.00 C ATOM 963 CE2 TYR A 58 -6.418 5.213 -7.037 1.00 0.00 C ATOM 964 CZ TYR A 58 -7.626 5.543 -6.385 1.00 0.00 C ATOM 965 OH TYR A 58 -8.004 6.842 -6.245 1.00 0.00 O ATOM 0 H TYR A 58 -8.506 -0.336 -6.654 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.603 0.913 -8.551 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.515 0.999 -5.539 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.200 1.435 -6.612 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.632 2.389 -5.517 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.116 3.616 -7.672 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.389 4.751 -5.409 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.797 5.993 -7.453 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.332 7.424 -6.657 1.00 0.00 H new ATOM 975 N VAL A 59 -5.556 -1.409 -8.458 1.00 0.00 N ATOM 976 CA VAL A 59 -4.893 -2.709 -8.443 1.00 0.00 C ATOM 977 C VAL A 59 -3.492 -2.444 -7.920 1.00 0.00 C ATOM 978 O VAL A 59 -2.863 -1.499 -8.401 1.00 0.00 O ATOM 979 CB VAL A 59 -4.889 -3.298 -9.872 1.00 0.00 C ATOM 980 CG1 VAL A 59 -3.998 -4.541 -10.019 1.00 0.00 C ATOM 981 CG2 VAL A 59 -6.320 -3.678 -10.297 1.00 0.00 C ATOM 0 H VAL A 59 -5.451 -0.912 -9.342 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.397 -3.441 -7.811 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.481 -2.516 -10.513 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.043 -4.901 -11.047 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.969 -4.283 -9.770 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.349 -5.322 -9.345 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.302 -4.091 -11.305 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.719 -4.421 -9.607 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.952 -2.790 -10.280 1.00 0.00 H new ATOM 991 N ILE A 60 -2.994 -3.219 -6.953 1.00 0.00 N ATOM 992 CA ILE A 60 -1.632 -3.099 -6.486 1.00 0.00 C ATOM 993 C ILE A 60 -0.996 -4.464 -6.578 1.00 0.00 C ATOM 994 O ILE A 60 -1.620 -5.468 -6.208 1.00 0.00 O ATOM 995 CB ILE A 60 -1.618 -2.465 -5.083 1.00 0.00 C ATOM 996 CG1 ILE A 60 -2.946 -2.576 -4.310 1.00 0.00 C ATOM 997 CG2 ILE A 60 -1.011 -1.109 -4.889 1.00 0.00 C ATOM 998 CD1 ILE A 60 -3.814 -1.314 -4.291 1.00 0.00 C ATOM 0 H ILE A 60 -3.533 -3.944 -6.479 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.034 -2.427 -7.101 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.879 -3.133 -4.639 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.529 -3.389 -4.742 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.723 -2.856 -3.281 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.090 -0.822 -3.840 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.039 -1.135 -5.180 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.540 -0.382 -5.505 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.722 -1.506 -3.720 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.260 -0.498 -3.827 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.079 -1.039 -5.312 1.00 0.00 H new ATOM 1010 N GLU A 61 0.240 -4.515 -7.058 1.00 0.00 N ATOM 1011 CA GLU A 61 1.000 -5.729 -7.042 1.00 0.00 C ATOM 1012 C GLU A 61 2.462 -5.497 -6.658 1.00 0.00 C ATOM 1013 O GLU A 61 2.861 -4.372 -6.363 1.00 0.00 O ATOM 1014 CB GLU A 61 0.848 -6.429 -8.402 1.00 0.00 C ATOM 1015 CG GLU A 61 1.652 -5.748 -9.531 1.00 0.00 C ATOM 1016 CD GLU A 61 1.409 -6.352 -10.915 1.00 0.00 C ATOM 1017 OE1 GLU A 61 1.069 -7.555 -11.026 1.00 0.00 O ATOM 1018 OE2 GLU A 61 1.510 -5.618 -11.930 1.00 0.00 O ATOM 0 H GLU A 61 0.728 -3.716 -7.463 1.00 0.00 H new ATOM 0 HA GLU A 61 0.607 -6.384 -6.265 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.173 -7.465 -8.308 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.207 -6.449 -8.677 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.397 -4.689 -9.558 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.715 -5.814 -9.298 1.00 0.00 H new ATOM 1025 N LYS A 62 3.247 -6.583 -6.640 1.00 0.00 N ATOM 1026 CA LYS A 62 4.681 -6.608 -6.349 1.00 0.00 C ATOM 1027 C LYS A 62 5.477 -5.739 -7.333 1.00 0.00 C ATOM 1028 O LYS A 62 6.066 -6.222 -8.302 1.00 0.00 O ATOM 1029 CB LYS A 62 5.192 -8.058 -6.300 1.00 0.00 C ATOM 1030 CG LYS A 62 5.006 -8.862 -7.597 1.00 0.00 C ATOM 1031 CD LYS A 62 4.001 -10.014 -7.462 1.00 0.00 C ATOM 1032 CE LYS A 62 4.069 -10.835 -8.755 1.00 0.00 C ATOM 1033 NZ LYS A 62 2.977 -11.822 -8.864 1.00 0.00 N ATOM 0 H LYS A 62 2.877 -7.513 -6.838 1.00 0.00 H new ATOM 0 HA LYS A 62 4.839 -6.169 -5.364 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.253 -8.044 -6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.680 -8.580 -5.491 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.673 -8.190 -8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.970 -9.265 -7.907 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.243 -10.635 -6.600 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.994 -9.628 -7.305 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.030 -10.161 -9.611 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.027 -11.353 -8.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.072 -12.348 -9.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.027 -12.485 -8.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.061 -11.330 -8.849 1.00 0.00 H new ATOM 1047 N GLY A 63 5.507 -4.438 -7.093 1.00 0.00 N ATOM 1048 CA GLY A 63 6.206 -3.496 -7.946 1.00 0.00 C ATOM 1049 C GLY A 63 5.444 -2.204 -8.223 1.00 0.00 C ATOM 1050 O GLY A 63 5.877 -1.457 -9.101 1.00 0.00 O ATOM 0 H GLY A 63 5.043 -4.005 -6.295 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.161 -3.247 -7.484 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.429 -3.982 -8.896 1.00 0.00 H new ATOM 1054 N ASP A 64 4.351 -1.923 -7.516 1.00 0.00 N ATOM 1055 CA ASP A 64 3.729 -0.605 -7.454 1.00 0.00 C ATOM 1056 C ASP A 64 4.050 -0.091 -6.053 1.00 0.00 C ATOM 1057 O ASP A 64 3.898 -0.842 -5.080 1.00 0.00 O ATOM 1058 CB ASP A 64 2.199 -0.725 -7.590 1.00 0.00 C ATOM 1059 CG ASP A 64 1.738 -1.375 -8.893 1.00 0.00 C ATOM 1060 OD1 ASP A 64 2.205 -0.990 -9.991 1.00 0.00 O ATOM 1061 OD2 ASP A 64 0.820 -2.219 -8.816 1.00 0.00 O ATOM 0 H ASP A 64 3.863 -2.623 -6.958 1.00 0.00 H new ATOM 0 HA ASP A 64 4.089 0.047 -8.250 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.815 -1.305 -6.751 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.759 0.270 -7.517 1.00 0.00 H new ATOM 1066 N LEU A 65 4.472 1.168 -5.918 1.00 0.00 N ATOM 1067 CA LEU A 65 4.514 1.845 -4.630 1.00 0.00 C ATOM 1068 C LEU A 65 3.251 2.670 -4.457 1.00 0.00 C ATOM 1069 O LEU A 65 2.674 3.131 -5.450 1.00 0.00 O ATOM 1070 CB LEU A 65 5.755 2.740 -4.548 1.00 0.00 C ATOM 1071 CG LEU A 65 6.444 2.603 -3.183 1.00 0.00 C ATOM 1072 CD1 LEU A 65 7.940 2.839 -3.311 1.00 0.00 C ATOM 1073 CD2 LEU A 65 6.054 3.452 -2.006 1.00 0.00 C ATOM 0 H LEU A 65 4.792 1.741 -6.699 1.00 0.00 H new ATOM 0 HA LEU A 65 4.571 1.107 -3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.454 2.472 -5.340 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.470 3.779 -4.713 1.00 0.00 H new ATOM 0 HG LEU A 65 6.101 1.596 -2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.409 2.737 -2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.367 2.106 -3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.118 3.843 -3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.670 3.187 -1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.205 4.504 -2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.004 3.282 -1.767 1.00 0.00 H new ATOM 1085 N VAL A 66 2.859 2.903 -3.206 1.00 0.00 N ATOM 1086 CA VAL A 66 1.704 3.706 -2.853 1.00 0.00 C ATOM 1087 C VAL A 66 2.090 4.681 -1.735 1.00 0.00 C ATOM 1088 O VAL A 66 2.956 4.379 -0.915 1.00 0.00 O ATOM 1089 CB VAL A 66 0.522 2.764 -2.497 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.780 3.541 -2.246 1.00 0.00 C ATOM 1091 CG2 VAL A 66 0.271 1.701 -3.590 1.00 0.00 C ATOM 0 H VAL A 66 3.351 2.527 -2.395 1.00 0.00 H new ATOM 0 HA VAL A 66 1.368 4.319 -3.689 1.00 0.00 H new ATOM 0 HB VAL A 66 0.817 2.259 -1.577 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.579 2.842 -2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.636 4.234 -1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.049 4.099 -3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.565 1.066 -3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.036 2.196 -4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.165 1.089 -3.715 1.00 0.00 H new ATOM 1101 N THR A 67 1.439 5.847 -1.689 1.00 0.00 N ATOM 1102 CA THR A 67 1.395 6.714 -0.520 1.00 0.00 C ATOM 1103 C THR A 67 -0.060 7.154 -0.300 1.00 0.00 C ATOM 1104 O THR A 67 -0.685 7.775 -1.169 1.00 0.00 O ATOM 1105 CB THR A 67 2.376 7.890 -0.654 1.00 0.00 C ATOM 1106 OG1 THR A 67 3.731 7.472 -0.714 1.00 0.00 O ATOM 1107 CG2 THR A 67 2.279 8.821 0.561 1.00 0.00 C ATOM 0 H THR A 67 0.918 6.218 -2.484 1.00 0.00 H new ATOM 0 HA THR A 67 1.726 6.173 0.366 1.00 0.00 H new ATOM 0 HB THR A 67 2.096 8.391 -1.581 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.773 6.493 -0.686 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.982 9.646 0.444 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.266 9.216 0.637 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.520 8.264 1.466 1.00 0.00 H new ATOM 1115 N PHE A 68 -0.601 6.818 0.871 1.00 0.00 N ATOM 1116 CA PHE A 68 -1.882 7.290 1.371 1.00 0.00 C ATOM 1117 C PHE A 68 -1.700 8.668 2.031 1.00 0.00 C ATOM 1118 O PHE A 68 -0.582 9.026 2.425 1.00 0.00 O ATOM 1119 CB PHE A 68 -2.437 6.239 2.347 1.00 0.00 C ATOM 1120 CG PHE A 68 -2.768 4.921 1.668 1.00 0.00 C ATOM 1121 CD1 PHE A 68 -3.765 4.882 0.679 1.00 0.00 C ATOM 1122 CD2 PHE A 68 -2.066 3.745 1.982 1.00 0.00 C ATOM 1123 CE1 PHE A 68 -4.069 3.685 0.010 1.00 0.00 C ATOM 1124 CE2 PHE A 68 -2.320 2.563 1.260 1.00 0.00 C ATOM 1125 CZ PHE A 68 -3.338 2.524 0.292 1.00 0.00 C ATOM 0 H PHE A 68 -0.136 6.183 1.520 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.601 7.417 0.561 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.707 6.062 3.137 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.335 6.632 2.825 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.305 5.784 0.430 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.333 3.748 2.775 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -4.864 3.660 -0.720 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.728 1.680 1.452 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.555 1.605 -0.231 1.00 0.00 H new ATOM 1135 N PRO A 69 -2.762 9.488 2.129 1.00 0.00 N ATOM 1136 CA PRO A 69 -2.708 10.753 2.840 1.00 0.00 C ATOM 1137 C PRO A 69 -2.942 10.519 4.333 1.00 0.00 C ATOM 1138 O PRO A 69 -3.336 9.436 4.758 1.00 0.00 O ATOM 1139 CB PRO A 69 -3.842 11.575 2.241 1.00 0.00 C ATOM 1140 CG PRO A 69 -4.916 10.507 2.120 1.00 0.00 C ATOM 1141 CD PRO A 69 -4.144 9.233 1.743 1.00 0.00 C ATOM 0 HA PRO A 69 -1.744 11.253 2.744 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.145 12.398 2.888 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -3.577 12.009 1.277 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.459 10.381 3.057 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -5.651 10.767 1.358 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.543 8.363 2.265 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.222 9.028 0.675 1.00 0.00 H new ATOM 1149 N LYS A 70 -2.815 11.596 5.099 1.00 0.00 N ATOM 1150 CA LYS A 70 -3.275 11.639 6.480 1.00 0.00 C ATOM 1151 C LYS A 70 -4.782 11.829 6.385 1.00 0.00 C ATOM 1152 O LYS A 70 -5.218 12.922 6.021 1.00 0.00 O ATOM 1153 CB LYS A 70 -2.524 12.752 7.242 1.00 0.00 C ATOM 1154 CG LYS A 70 -2.867 12.876 8.742 1.00 0.00 C ATOM 1155 CD LYS A 70 -1.797 13.695 9.477 1.00 0.00 C ATOM 1156 CE LYS A 70 -2.015 13.621 10.997 1.00 0.00 C ATOM 1157 NZ LYS A 70 -0.883 14.198 11.757 1.00 0.00 N ATOM 0 H LYS A 70 -2.389 12.466 4.778 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.067 10.735 7.053 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.453 12.576 7.145 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.735 13.706 6.758 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.841 13.352 8.859 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.941 11.884 9.186 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.806 13.318 9.227 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.835 14.733 9.148 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.931 14.151 11.256 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.154 12.581 11.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.076 14.125 12.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.012 13.677 11.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.765 15.198 11.498 1.00 0.00 H new ATOM 1171 N GLY A 71 -5.564 10.768 6.581 1.00 0.00 N ATOM 1172 CA GLY A 71 -7.019 10.806 6.571 1.00 0.00 C ATOM 1173 C GLY A 71 -7.600 10.307 5.250 1.00 0.00 C ATOM 1174 O GLY A 71 -7.990 11.118 4.403 1.00 0.00 O ATOM 0 H GLY A 71 -5.189 9.835 6.755 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.402 10.195 7.388 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.355 11.827 6.751 1.00 0.00 H new ATOM 1178 N LEU A 72 -7.692 8.988 5.073 1.00 0.00 N ATOM 1179 CA LEU A 72 -8.413 8.313 3.994 1.00 0.00 C ATOM 1180 C LEU A 72 -9.079 7.067 4.567 1.00 0.00 C ATOM 1181 O LEU A 72 -8.579 6.501 5.529 1.00 0.00 O ATOM 1182 CB LEU A 72 -7.428 7.904 2.889 1.00 0.00 C ATOM 1183 CG LEU A 72 -8.028 7.062 1.744 1.00 0.00 C ATOM 1184 CD1 LEU A 72 -9.033 7.854 0.898 1.00 0.00 C ATOM 1185 CD2 LEU A 72 -6.890 6.574 0.869 1.00 0.00 C ATOM 0 H LEU A 72 -7.243 8.330 5.710 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.163 8.982 3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.992 8.807 2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.613 7.340 3.343 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.575 6.226 2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.425 7.215 0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.853 8.193 1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.536 8.717 0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.291 5.975 0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.351 7.430 0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.209 5.966 1.464 1.00 0.00 H new ATOM 1197 N ARG A 73 -10.150 6.605 3.925 1.00 0.00 N ATOM 1198 CA ARG A 73 -10.896 5.398 4.229 1.00 0.00 C ATOM 1199 C ARG A 73 -11.145 4.691 2.903 1.00 0.00 C ATOM 1200 O ARG A 73 -11.428 5.358 1.904 1.00 0.00 O ATOM 1201 CB ARG A 73 -12.222 5.746 4.935 1.00 0.00 C ATOM 1202 CG ARG A 73 -12.994 6.938 4.333 1.00 0.00 C ATOM 1203 CD ARG A 73 -12.515 8.305 4.867 1.00 0.00 C ATOM 1204 NE ARG A 73 -12.736 9.387 3.898 1.00 0.00 N ATOM 1205 CZ ARG A 73 -13.916 9.941 3.612 1.00 0.00 C ATOM 1206 NH1 ARG A 73 -15.031 9.447 4.143 1.00 0.00 N ATOM 1207 NH2 ARG A 73 -13.957 11.006 2.821 1.00 0.00 N ATOM 0 H ARG A 73 -10.542 7.102 3.125 1.00 0.00 H new ATOM 0 HA ARG A 73 -10.340 4.751 4.908 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.867 4.868 4.914 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.012 5.962 5.982 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -12.887 6.921 3.248 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.056 6.822 4.551 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.041 8.536 5.793 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.454 8.247 5.109 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.919 9.745 3.402 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -14.985 8.644 4.770 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.932 9.872 3.923 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.093 11.391 2.440 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -14.852 11.439 2.595 1.00 0.00 H new ATOM 1221 N CYS A 74 -11.050 3.367 2.862 1.00 0.00 N ATOM 1222 CA CYS A 74 -11.407 2.581 1.689 1.00 0.00 C ATOM 1223 C CYS A 74 -11.454 1.104 2.044 1.00 0.00 C ATOM 1224 O CYS A 74 -10.775 0.682 2.979 1.00 0.00 O ATOM 1225 CB CYS A 74 -10.346 2.716 0.598 1.00 0.00 C ATOM 1226 SG CYS A 74 -8.656 2.561 1.269 1.00 0.00 S ATOM 0 H CYS A 74 -10.721 2.806 3.648 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.374 2.947 1.343 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.507 1.951 -0.161 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.454 3.682 0.105 1.00 0.00 H new ATOM 0 HG CYS A 74 -8.663 1.742 2.279 1.00 0.00 H new ATOM 1232 N ARG A 75 -12.124 0.284 1.225 1.00 0.00 N ATOM 1233 CA ARG A 75 -11.919 -1.154 1.329 1.00 0.00 C ATOM 1234 C ARG A 75 -10.530 -1.537 0.875 1.00 0.00 C ATOM 1235 O ARG A 75 -9.923 -0.865 0.042 1.00 0.00 O ATOM 1236 CB ARG A 75 -12.930 -1.976 0.527 1.00 0.00 C ATOM 1237 CG ARG A 75 -13.886 -2.734 1.464 1.00 0.00 C ATOM 1238 CD ARG A 75 -15.238 -2.084 1.413 1.00 0.00 C ATOM 1239 NE ARG A 75 -15.265 -0.704 1.946 1.00 0.00 N ATOM 1240 CZ ARG A 75 -16.420 -0.129 2.326 1.00 0.00 C ATOM 1241 NH1 ARG A 75 -17.579 -0.713 2.038 1.00 0.00 N ATOM 1242 NH2 ARG A 75 -16.440 1.022 2.985 1.00 0.00 N ATOM 0 H ARG A 75 -12.788 0.582 0.510 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.058 -1.386 2.385 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.502 -1.319 -0.128 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.403 -2.684 -0.113 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.959 -3.779 1.162 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.501 -2.723 2.484 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.584 -2.070 0.379 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.944 -2.694 1.977 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.393 -0.180 2.027 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.592 -1.597 1.529 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.455 -0.277 2.326 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.565 1.493 3.215 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.330 1.436 3.261 1.00 0.00 H new ATOM 1256 N TRP A 76 -10.132 -2.711 1.335 1.00 0.00 N ATOM 1257 CA TRP A 76 -9.019 -3.485 0.819 1.00 0.00 C ATOM 1258 C TRP A 76 -9.592 -4.844 0.441 1.00 0.00 C ATOM 1259 O TRP A 76 -10.384 -5.418 1.191 1.00 0.00 O ATOM 1260 CB TRP A 76 -7.871 -3.644 1.830 1.00 0.00 C ATOM 1261 CG TRP A 76 -6.763 -2.641 1.705 1.00 0.00 C ATOM 1262 CD1 TRP A 76 -6.916 -1.305 1.843 1.00 0.00 C ATOM 1263 CD2 TRP A 76 -5.343 -2.857 1.389 1.00 0.00 C ATOM 1264 NE1 TRP A 76 -5.717 -0.677 1.582 1.00 0.00 N ATOM 1265 CE2 TRP A 76 -4.710 -1.581 1.332 1.00 0.00 C ATOM 1266 CE3 TRP A 76 -4.517 -3.973 1.098 1.00 0.00 C ATOM 1267 CZ2 TRP A 76 -3.356 -1.424 1.011 1.00 0.00 C ATOM 1268 CZ3 TRP A 76 -3.146 -3.827 0.808 1.00 0.00 C ATOM 1269 CH2 TRP A 76 -2.566 -2.551 0.748 1.00 0.00 C ATOM 0 H TRP A 76 -10.600 -3.171 2.116 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.576 -2.970 -0.033 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -8.284 -3.581 2.837 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -7.449 -4.643 1.721 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -7.835 -0.807 2.115 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -5.591 0.335 1.575 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.951 -4.962 1.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -2.922 -0.436 0.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -2.538 -4.702 0.631 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.521 -2.438 0.501 1.00 0.00 H new ATOM 1280 N LYS A 77 -9.196 -5.369 -0.711 1.00 0.00 N ATOM 1281 CA LYS A 77 -9.428 -6.743 -1.117 1.00 0.00 C ATOM 1282 C LYS A 77 -8.039 -7.326 -1.310 1.00 0.00 C ATOM 1283 O LYS A 77 -7.379 -7.038 -2.313 1.00 0.00 O ATOM 1284 CB LYS A 77 -10.328 -6.805 -2.361 1.00 0.00 C ATOM 1285 CG LYS A 77 -10.649 -8.257 -2.737 1.00 0.00 C ATOM 1286 CD LYS A 77 -11.816 -8.439 -3.718 1.00 0.00 C ATOM 1287 CE LYS A 77 -11.707 -7.694 -5.052 1.00 0.00 C ATOM 1288 NZ LYS A 77 -12.162 -6.296 -4.945 1.00 0.00 N ATOM 0 H LYS A 77 -8.687 -4.829 -1.411 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.977 -7.329 -0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.254 -6.262 -2.172 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.833 -6.310 -3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.757 -8.708 -3.172 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.873 -8.810 -1.825 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.922 -9.503 -3.929 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.732 -8.119 -3.222 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.672 -7.713 -5.394 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.301 -8.211 -5.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.443 -5.949 -5.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.976 -6.244 -4.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.389 -5.707 -4.576 1.00 0.00 H new ATOM 1302 N VAL A 78 -7.557 -8.024 -0.287 1.00 0.00 N ATOM 1303 CA VAL A 78 -6.359 -8.845 -0.347 1.00 0.00 C ATOM 1304 C VAL A 78 -6.800 -10.053 -1.142 1.00 0.00 C ATOM 1305 O VAL A 78 -7.497 -10.936 -0.632 1.00 0.00 O ATOM 1306 CB VAL A 78 -5.862 -9.234 1.063 1.00 0.00 C ATOM 1307 CG1 VAL A 78 -4.396 -9.661 1.044 1.00 0.00 C ATOM 1308 CG2 VAL A 78 -5.994 -8.069 2.049 1.00 0.00 C ATOM 0 H VAL A 78 -8.003 -8.033 0.630 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.514 -8.328 -0.802 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.489 -10.066 1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.081 -9.927 2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.277 -10.523 0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.782 -8.838 0.678 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.635 -8.380 3.030 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.401 -7.225 1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.040 -7.772 2.123 1.00 0.00 H new ATOM 1318 N LEU A 79 -6.507 -10.025 -2.435 1.00 0.00 N ATOM 1319 CA LEU A 79 -6.858 -11.161 -3.260 1.00 0.00 C ATOM 1320 C LEU A 79 -5.930 -12.313 -2.932 1.00 0.00 C ATOM 1321 O LEU A 79 -6.368 -13.457 -2.990 1.00 0.00 O ATOM 1322 CB LEU A 79 -6.780 -10.784 -4.735 1.00 0.00 C ATOM 1323 CG LEU A 79 -7.951 -9.891 -5.168 1.00 0.00 C ATOM 1324 CD1 LEU A 79 -7.702 -9.419 -6.594 1.00 0.00 C ATOM 1325 CD2 LEU A 79 -9.288 -10.626 -5.092 1.00 0.00 C ATOM 0 H LEU A 79 -6.044 -9.255 -2.918 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.883 -11.469 -3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.840 -10.266 -4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.774 -11.691 -5.340 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.009 -9.042 -4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.527 -8.783 -6.916 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.771 -8.854 -6.633 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.630 -10.282 -7.256 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.089 -9.957 -5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.263 -11.496 -5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.468 -10.950 -4.067 1.00 0.00 H new ATOM 1337 N GLU A 80 -4.690 -12.011 -2.545 1.00 0.00 N ATOM 1338 CA GLU A 80 -3.685 -12.997 -2.189 1.00 0.00 C ATOM 1339 C GLU A 80 -2.875 -12.418 -1.030 1.00 0.00 C ATOM 1340 O GLU A 80 -2.656 -11.203 -1.054 1.00 0.00 O ATOM 1341 CB GLU A 80 -2.765 -13.252 -3.403 1.00 0.00 C ATOM 1342 CG GLU A 80 -3.511 -13.358 -4.745 1.00 0.00 C ATOM 1343 CD GLU A 80 -2.616 -13.649 -5.947 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -1.423 -13.279 -5.946 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -3.148 -14.184 -6.951 1.00 0.00 O ATOM 0 H GLU A 80 -4.355 -11.050 -2.471 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.144 -13.942 -1.900 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.035 -12.445 -3.468 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.207 -14.174 -3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.261 -14.145 -4.668 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.045 -12.425 -4.924 1.00 0.00 H new ATOM 1352 N PRO A 81 -2.420 -13.233 -0.055 1.00 0.00 N ATOM 1353 CA PRO A 81 -1.902 -12.766 1.229 1.00 0.00 C ATOM 1354 C PRO A 81 -0.652 -11.920 1.016 1.00 0.00 C ATOM 1355 O PRO A 81 0.441 -12.436 0.764 1.00 0.00 O ATOM 1356 CB PRO A 81 -1.659 -14.012 2.088 1.00 0.00 C ATOM 1357 CG PRO A 81 -1.517 -15.137 1.065 1.00 0.00 C ATOM 1358 CD PRO A 81 -2.430 -14.688 -0.075 1.00 0.00 C ATOM 0 HA PRO A 81 -2.606 -12.114 1.746 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.761 -13.909 2.697 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.488 -14.195 2.771 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.485 -15.252 0.733 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.828 -16.097 1.476 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.072 -15.066 -1.032 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.441 -15.072 0.062 1.00 0.00 H new ATOM 1366 N VAL A 82 -0.852 -10.606 1.027 1.00 0.00 N ATOM 1367 CA VAL A 82 0.155 -9.631 0.664 1.00 0.00 C ATOM 1368 C VAL A 82 1.175 -9.537 1.795 1.00 0.00 C ATOM 1369 O VAL A 82 0.881 -9.822 2.963 1.00 0.00 O ATOM 1370 CB VAL A 82 -0.549 -8.294 0.324 1.00 0.00 C ATOM 1371 CG1 VAL A 82 -1.048 -7.585 1.586 1.00 0.00 C ATOM 1372 CG2 VAL A 82 0.285 -7.294 -0.488 1.00 0.00 C ATOM 0 H VAL A 82 -1.742 -10.186 1.296 1.00 0.00 H new ATOM 0 HA VAL A 82 0.711 -9.921 -0.228 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.379 -8.604 -0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.537 -6.651 1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.759 -8.226 2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.204 -7.373 2.242 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.302 -6.394 -0.670 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.185 -7.033 0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.566 -7.743 -1.441 1.00 0.00 H new ATOM 1382 N ARG A 83 2.362 -9.048 1.460 1.00 0.00 N ATOM 1383 CA ARG A 83 3.379 -8.656 2.420 1.00 0.00 C ATOM 1384 C ARG A 83 3.954 -7.370 1.856 1.00 0.00 C ATOM 1385 O ARG A 83 4.350 -7.320 0.685 1.00 0.00 O ATOM 1386 CB ARG A 83 4.388 -9.802 2.561 1.00 0.00 C ATOM 1387 CG ARG A 83 5.009 -9.981 3.954 1.00 0.00 C ATOM 1388 CD ARG A 83 5.424 -11.455 4.054 1.00 0.00 C ATOM 1389 NE ARG A 83 6.574 -11.708 4.926 1.00 0.00 N ATOM 1390 CZ ARG A 83 6.683 -12.785 5.714 1.00 0.00 C ATOM 1391 NH1 ARG A 83 5.623 -13.403 6.224 1.00 0.00 N ATOM 1392 NH2 ARG A 83 7.884 -13.253 6.013 1.00 0.00 N ATOM 0 H ARG A 83 2.648 -8.911 0.491 1.00 0.00 H new ATOM 0 HA ARG A 83 3.017 -8.473 3.432 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.893 -10.732 2.283 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.193 -9.642 1.843 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.870 -9.325 4.083 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.293 -9.725 4.735 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.575 -12.034 4.418 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.655 -11.822 3.054 1.00 0.00 H new ATOM 0 HE ARG A 83 7.333 -11.027 4.933 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.685 -13.059 6.019 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.748 -14.221 6.820 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.717 -12.794 5.644 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.977 -14.073 6.613 1.00 0.00 H new ATOM 1406 N LYS A 84 3.861 -6.283 2.621 1.00 0.00 N ATOM 1407 CA LYS A 84 4.337 -4.986 2.171 1.00 0.00 C ATOM 1408 C LYS A 84 5.193 -4.386 3.266 1.00 0.00 C ATOM 1409 O LYS A 84 5.025 -4.696 4.449 1.00 0.00 O ATOM 1410 CB LYS A 84 3.173 -4.103 1.659 1.00 0.00 C ATOM 1411 CG LYS A 84 2.416 -3.177 2.629 1.00 0.00 C ATOM 1412 CD LYS A 84 1.778 -3.854 3.842 1.00 0.00 C ATOM 1413 CE LYS A 84 0.706 -2.977 4.510 1.00 0.00 C ATOM 1414 NZ LYS A 84 -0.634 -3.029 3.872 1.00 0.00 N ATOM 0 H LYS A 84 3.458 -6.281 3.558 1.00 0.00 H new ATOM 0 HA LYS A 84 4.978 -5.078 1.295 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.570 -3.478 0.859 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.437 -4.769 1.208 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.108 -2.414 2.986 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.633 -2.662 2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.329 -4.798 3.533 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.553 -4.093 4.570 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.608 -3.280 5.552 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.052 -1.943 4.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.071 -2.086 3.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.536 -3.332 2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.236 -3.706 4.383 1.00 0.00 H new ATOM 1428 N HIS A 85 6.105 -3.515 2.871 1.00 0.00 N ATOM 1429 CA HIS A 85 6.819 -2.671 3.798 1.00 0.00 C ATOM 1430 C HIS A 85 6.031 -1.356 3.847 1.00 0.00 C ATOM 1431 O HIS A 85 6.070 -0.609 2.871 1.00 0.00 O ATOM 1432 CB HIS A 85 8.283 -2.516 3.345 1.00 0.00 C ATOM 1433 CG HIS A 85 9.193 -3.619 3.847 1.00 0.00 C ATOM 1434 ND1 HIS A 85 9.657 -4.720 3.155 1.00 0.00 N ATOM 1435 CD2 HIS A 85 9.794 -3.637 5.075 1.00 0.00 C ATOM 1436 CE1 HIS A 85 10.510 -5.378 3.962 1.00 0.00 C ATOM 1437 NE2 HIS A 85 10.622 -4.760 5.141 1.00 0.00 N ATOM 0 H HIS A 85 6.368 -3.377 1.895 1.00 0.00 H new ATOM 0 HA HIS A 85 6.884 -3.086 4.804 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.317 -2.496 2.256 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.663 -1.556 3.694 1.00 0.00 H new ATOM 0 HD2 HIS A 85 9.653 -2.908 5.859 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.033 -6.284 3.693 1.00 0.00 H new ATOM 0 HE2 HIS A 85 11.197 -5.050 5.932 1.00 0.00 H new ATOM 1445 N TYR A 86 5.227 -1.118 4.894 1.00 0.00 N ATOM 1446 CA TYR A 86 4.568 0.171 5.145 1.00 0.00 C ATOM 1447 C TYR A 86 5.476 1.077 5.978 1.00 0.00 C ATOM 1448 O TYR A 86 6.328 0.574 6.711 1.00 0.00 O ATOM 1449 CB TYR A 86 3.217 -0.012 5.864 1.00 0.00 C ATOM 1450 CG TYR A 86 3.276 -0.225 7.372 1.00 0.00 C ATOM 1451 CD1 TYR A 86 3.675 -1.465 7.906 1.00 0.00 C ATOM 1452 CD2 TYR A 86 2.931 0.826 8.248 1.00 0.00 C ATOM 1453 CE1 TYR A 86 3.736 -1.651 9.299 1.00 0.00 C ATOM 1454 CE2 TYR A 86 2.996 0.645 9.642 1.00 0.00 C ATOM 1455 CZ TYR A 86 3.398 -0.598 10.173 1.00 0.00 C ATOM 1456 OH TYR A 86 3.456 -0.786 11.519 1.00 0.00 O ATOM 0 H TYR A 86 5.014 -1.824 5.598 1.00 0.00 H new ATOM 0 HA TYR A 86 4.377 0.636 4.178 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.603 0.867 5.667 1.00 0.00 H new ATOM 0 HB3 TYR A 86 2.705 -0.865 5.418 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.935 -2.277 7.243 1.00 0.00 H new ATOM 0 HD2 TYR A 86 2.615 1.777 7.845 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.043 -2.605 9.701 1.00 0.00 H new ATOM 0 HE2 TYR A 86 2.738 1.458 10.305 1.00 0.00 H new ATOM 0 HH TYR A 86 3.192 0.040 11.976 1.00 0.00 H new ATOM 1466 N ASN A 87 5.289 2.397 5.936 1.00 0.00 N ATOM 1467 CA ASN A 87 5.925 3.290 6.891 1.00 0.00 C ATOM 1468 C ASN A 87 5.116 4.567 7.042 1.00 0.00 C ATOM 1469 O ASN A 87 4.870 5.276 6.060 1.00 0.00 O ATOM 1470 CB ASN A 87 7.361 3.617 6.479 1.00 0.00 C ATOM 1471 CG ASN A 87 8.140 4.126 7.674 1.00 0.00 C ATOM 1472 OD1 ASN A 87 8.218 3.462 8.701 1.00 0.00 O ATOM 1473 ND2 ASN A 87 8.717 5.308 7.591 1.00 0.00 N ATOM 0 H ASN A 87 4.701 2.867 5.248 1.00 0.00 H new ATOM 0 HA ASN A 87 5.961 2.778 7.853 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.843 2.728 6.072 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.359 4.368 5.689 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.236 5.679 8.387 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.645 5.851 6.731 1.00 0.00 H new ATOM 1480 N LEU A 88 4.706 4.837 8.278 1.00 0.00 N ATOM 1481 CA LEU A 88 3.990 6.042 8.678 1.00 0.00 C ATOM 1482 C LEU A 88 4.940 7.246 8.604 1.00 0.00 C ATOM 1483 O LEU A 88 6.164 7.083 8.705 1.00 0.00 O ATOM 1484 CB LEU A 88 3.481 5.873 10.125 1.00 0.00 C ATOM 1485 CG LEU A 88 2.547 4.663 10.353 1.00 0.00 C ATOM 1486 CD1 LEU A 88 2.407 4.374 11.853 1.00 0.00 C ATOM 1487 CD2 LEU A 88 1.159 4.882 9.755 1.00 0.00 C ATOM 0 H LEU A 88 4.870 4.198 9.056 1.00 0.00 H new ATOM 0 HA LEU A 88 3.144 6.207 8.011 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.341 5.779 10.788 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.952 6.781 10.416 1.00 0.00 H new ATOM 0 HG LEU A 88 3.003 3.812 9.847 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.746 3.519 11.999 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.387 4.151 12.274 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.987 5.246 12.354 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.540 4.004 9.941 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.698 5.756 10.216 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.247 5.043 8.680 1.00 0.00 H new ATOM 1499 N PHE A 89 4.406 8.460 8.480 1.00 0.00 N ATOM 1500 CA PHE A 89 5.112 9.707 8.726 1.00 0.00 C ATOM 1501 C PHE A 89 4.089 10.760 9.128 1.00 0.00 C ATOM 1502 O PHE A 89 4.225 11.229 10.280 1.00 0.00 O ATOM 1503 CB PHE A 89 6.056 10.134 7.580 1.00 0.00 C ATOM 1504 CG PHE A 89 5.548 10.201 6.144 1.00 0.00 C ATOM 1505 CD1 PHE A 89 5.035 9.062 5.485 1.00 0.00 C ATOM 1506 CD2 PHE A 89 5.703 11.396 5.413 1.00 0.00 C ATOM 1507 CE1 PHE A 89 4.634 9.139 4.140 1.00 0.00 C ATOM 1508 CE2 PHE A 89 5.347 11.459 4.054 1.00 0.00 C ATOM 1509 CZ PHE A 89 4.806 10.329 3.415 1.00 0.00 C ATOM 0 H PHE A 89 3.437 8.602 8.196 1.00 0.00 H new ATOM 0 HA PHE A 89 5.810 9.566 9.552 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.441 11.122 7.832 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.904 9.449 7.590 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.950 8.126 6.018 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.100 12.273 5.902 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.191 8.278 3.662 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.489 12.376 3.501 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.525 10.376 2.373 1.00 0.00 H new