USER MOD reduce.3.24.130724 H: found=0, std=0, add=1104, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 1099 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 54 HIS : no HD1:sc= -2.84! C(o=-6.4!,f=-7.3!) USER MOD Set 1.2: A 129 GLN : amide:sc= -3.59! C(o=-6.4!,f=-7.2!) USER MOD Set 2.1: A 47 CYS SG : rot 180:sc= 0.359 USER MOD Set 2.2: A 49 THR OG1 : rot -77:sc= 0.402 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.0272 X(o=-0.027,f=-0.072) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.0127 K(o=-0.013,f=-0.59) USER MOD Single : A 48 GLN : amide:sc= -0.403 K(o=-0.4,f=-2.2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0781 USER MOD Single : A 67 HIS : no HD1:sc= -2.24! C(o=-2.2!,f=-5.6!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0752 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0.0529 USER MOD Single : A 102 TYR OH : rot 30:sc= -1.42 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot -120:sc= -1.21 USER MOD Single : A 127 GLN : amide:sc= -6.66! K(o=-6.7!,f=-4.3) USER MOD Single : A 132 LYS NZ :NH3+ 165:sc=-0.00847 (180deg=-0.185) USER MOD Single : A 135 THR OG1 : rot -28:sc= 0.379 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.900 -6.598 7.182 1.00 0.00 N ATOM 2 CA MET A 1 11.955 -5.596 7.643 1.00 0.00 C ATOM 3 C MET A 1 11.410 -4.776 6.471 1.00 0.00 C ATOM 4 O MET A 1 12.171 -4.123 5.759 1.00 0.00 O ATOM 5 CB MET A 1 12.645 -4.664 8.641 1.00 0.00 C ATOM 6 CG MET A 1 11.660 -4.174 9.705 1.00 0.00 C ATOM 7 SD MET A 1 12.551 -3.486 11.090 1.00 0.00 S ATOM 8 CE MET A 1 11.443 -3.923 12.419 1.00 0.00 C ATOM 0 H1 MET A 1 13.255 -7.141 7.995 1.00 0.00 H new ATOM 0 H2 MET A 1 12.426 -7.242 6.516 1.00 0.00 H new ATOM 0 H3 MET A 1 13.696 -6.130 6.704 1.00 0.00 H new ATOM 0 HA MET A 1 11.121 -6.105 8.125 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.473 -5.187 9.120 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.070 -3.810 8.113 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.996 -3.422 9.279 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.033 -5.000 10.040 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.850 -3.566 13.365 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.469 -3.464 12.247 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.332 -5.007 12.458 1.00 0.00 H new ATOM 18 N VAL A 2 10.097 -4.838 6.307 1.00 0.00 N ATOM 19 CA VAL A 2 9.441 -4.110 5.234 1.00 0.00 C ATOM 20 C VAL A 2 9.865 -4.703 3.888 1.00 0.00 C ATOM 21 O VAL A 2 11.020 -5.086 3.711 1.00 0.00 O ATOM 22 CB VAL A 2 9.748 -2.616 5.352 1.00 0.00 C ATOM 23 CG1 VAL A 2 9.005 -1.817 4.280 1.00 0.00 C ATOM 24 CG2 VAL A 2 9.415 -2.096 6.752 1.00 0.00 C ATOM 0 H VAL A 2 9.469 -5.381 6.899 1.00 0.00 H new ATOM 0 HA VAL A 2 8.358 -4.213 5.308 1.00 0.00 H new ATOM 0 HB VAL A 2 10.817 -2.481 5.190 1.00 0.00 H new ATOM 0 HG11 VAL A 2 9.241 -0.758 4.387 1.00 0.00 H new ATOM 0 HG12 VAL A 2 9.313 -2.160 3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 2 7.931 -1.963 4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.643 -1.032 6.808 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.356 -2.252 6.956 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.009 -2.634 7.491 1.00 0.00 H new ATOM 34 N PRO A 3 8.881 -4.761 2.951 1.00 0.00 N ATOM 35 CA PRO A 3 9.140 -5.300 1.627 1.00 0.00 C ATOM 36 C PRO A 3 9.939 -4.309 0.778 1.00 0.00 C ATOM 37 O PRO A 3 10.179 -3.179 1.198 1.00 0.00 O ATOM 38 CB PRO A 3 7.767 -5.604 1.051 1.00 0.00 C ATOM 39 CG PRO A 3 6.780 -4.798 1.878 1.00 0.00 C ATOM 40 CD PRO A 3 7.502 -4.316 3.126 1.00 0.00 C ATOM 0 HA PRO A 3 9.755 -6.200 1.652 1.00 0.00 H new ATOM 0 HB2 PRO A 3 7.714 -5.325 -0.001 1.00 0.00 H new ATOM 0 HB3 PRO A 3 7.546 -6.670 1.109 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.403 -3.951 1.304 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.919 -5.409 2.147 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.445 -3.232 3.223 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.060 -4.740 4.028 1.00 0.00 H new ATOM 48 N PRO A 4 10.339 -4.782 -0.433 1.00 0.00 N ATOM 49 CA PRO A 4 11.106 -3.951 -1.345 1.00 0.00 C ATOM 50 C PRO A 4 10.214 -2.901 -2.011 1.00 0.00 C ATOM 51 O PRO A 4 10.494 -1.705 -1.935 1.00 0.00 O ATOM 52 CB PRO A 4 11.723 -4.922 -2.338 1.00 0.00 C ATOM 53 CG PRO A 4 10.911 -6.202 -2.229 1.00 0.00 C ATOM 54 CD PRO A 4 10.073 -6.116 -0.964 1.00 0.00 C ATOM 0 HA PRO A 4 11.880 -3.375 -0.839 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.686 -4.521 -3.351 1.00 0.00 H new ATOM 0 HB3 PRO A 4 12.772 -5.104 -2.106 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.271 -6.324 -3.103 1.00 0.00 H new ATOM 0 HG3 PRO A 4 11.569 -7.070 -2.192 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.013 -6.252 -1.181 1.00 0.00 H new ATOM 0 HD3 PRO A 4 10.354 -6.890 -0.250 1.00 0.00 H new ATOM 62 N LYS A 5 9.158 -3.385 -2.648 1.00 0.00 N ATOM 63 CA LYS A 5 8.224 -2.504 -3.327 1.00 0.00 C ATOM 64 C LYS A 5 8.030 -1.235 -2.494 1.00 0.00 C ATOM 65 O LYS A 5 8.003 -0.131 -3.036 1.00 0.00 O ATOM 66 CB LYS A 5 6.920 -3.241 -3.637 1.00 0.00 C ATOM 67 CG LYS A 5 6.991 -3.933 -5.000 1.00 0.00 C ATOM 68 CD LYS A 5 5.590 -4.211 -5.547 1.00 0.00 C ATOM 69 CE LYS A 5 5.415 -5.695 -5.876 1.00 0.00 C ATOM 70 NZ LYS A 5 4.189 -5.907 -6.677 1.00 0.00 N ATOM 0 H LYS A 5 8.929 -4.377 -2.708 1.00 0.00 H new ATOM 0 HA LYS A 5 8.625 -2.195 -4.292 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.722 -3.980 -2.860 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.088 -2.536 -3.626 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.542 -3.306 -5.702 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.542 -4.869 -4.908 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.843 -3.907 -4.814 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.420 -3.614 -6.443 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.283 -6.056 -6.427 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.359 -6.274 -4.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.085 -6.919 -6.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.362 -5.581 -6.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.257 -5.370 -7.565 1.00 0.00 H new ATOM 84 N LEU A 6 7.900 -1.435 -1.191 1.00 0.00 N ATOM 85 CA LEU A 6 7.709 -0.320 -0.279 1.00 0.00 C ATOM 86 C LEU A 6 9.023 0.451 -0.141 1.00 0.00 C ATOM 87 O LEU A 6 9.131 1.587 -0.601 1.00 0.00 O ATOM 88 CB LEU A 6 7.142 -0.811 1.055 1.00 0.00 C ATOM 89 CG LEU A 6 6.191 0.149 1.773 1.00 0.00 C ATOM 90 CD1 LEU A 6 6.420 0.117 3.286 1.00 0.00 C ATOM 91 CD2 LEU A 6 6.308 1.564 1.205 1.00 0.00 C ATOM 0 H LEU A 6 7.923 -2.352 -0.745 1.00 0.00 H new ATOM 0 HA LEU A 6 6.971 0.376 -0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.616 -1.749 0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.975 -1.032 1.722 1.00 0.00 H new ATOM 0 HG LEU A 6 5.169 -0.185 1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.732 0.808 3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.246 -0.892 3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.446 0.412 3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.622 2.226 1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.329 1.924 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.057 1.552 0.144 1.00 0.00 H new ATOM 103 N LYS A 7 9.989 -0.196 0.494 1.00 0.00 N ATOM 104 CA LYS A 7 11.291 0.415 0.697 1.00 0.00 C ATOM 105 C LYS A 7 11.693 1.181 -0.564 1.00 0.00 C ATOM 106 O LYS A 7 12.416 2.174 -0.488 1.00 0.00 O ATOM 107 CB LYS A 7 12.315 -0.637 1.130 1.00 0.00 C ATOM 108 CG LYS A 7 13.530 0.020 1.789 1.00 0.00 C ATOM 109 CD LYS A 7 13.573 -0.287 3.288 1.00 0.00 C ATOM 110 CE LYS A 7 14.530 0.661 4.014 1.00 0.00 C ATOM 111 NZ LYS A 7 14.896 0.113 5.339 1.00 0.00 N ATOM 0 H LYS A 7 9.896 -1.138 0.875 1.00 0.00 H new ATOM 0 HA LYS A 7 11.249 1.139 1.510 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.852 -1.335 1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.635 -1.216 0.264 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.444 -0.338 1.314 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.493 1.099 1.636 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.573 -0.194 3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.890 -1.318 3.443 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.428 0.810 3.415 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.062 1.638 4.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.546 0.768 5.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.038 -0.006 5.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.362 -0.809 5.217 1.00 0.00 H new ATOM 125 N GLN A 8 11.207 0.692 -1.696 1.00 0.00 N ATOM 126 CA GLN A 8 11.507 1.318 -2.972 1.00 0.00 C ATOM 127 C GLN A 8 10.620 2.547 -3.181 1.00 0.00 C ATOM 128 O GLN A 8 11.115 3.628 -3.496 1.00 0.00 O ATOM 129 CB GLN A 8 11.345 0.323 -4.123 1.00 0.00 C ATOM 130 CG GLN A 8 12.674 -0.364 -4.444 1.00 0.00 C ATOM 131 CD GLN A 8 13.364 0.308 -5.634 1.00 0.00 C ATOM 132 OE1 GLN A 8 12.833 0.386 -6.729 1.00 0.00 O ATOM 133 NE2 GLN A 8 14.574 0.785 -5.358 1.00 0.00 N ATOM 0 H GLN A 8 10.607 -0.131 -1.755 1.00 0.00 H new ATOM 0 HA GLN A 8 12.548 1.642 -2.960 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.599 -0.426 -3.859 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.976 0.842 -5.008 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.327 -0.327 -3.572 1.00 0.00 H new ATOM 0 HG3 GLN A 8 12.499 -1.417 -4.667 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.959 0.686 -4.419 1.00 0.00 H new ATOM 0 HE22 GLN A 8 15.117 1.250 -6.085 1.00 0.00 H new ATOM 142 N ALA A 9 9.324 2.340 -2.998 1.00 0.00 N ATOM 143 CA ALA A 9 8.363 3.417 -3.163 1.00 0.00 C ATOM 144 C ALA A 9 8.706 4.553 -2.196 1.00 0.00 C ATOM 145 O ALA A 9 8.563 5.726 -2.536 1.00 0.00 O ATOM 146 CB ALA A 9 6.948 2.877 -2.949 1.00 0.00 C ATOM 0 H ALA A 9 8.917 1.442 -2.737 1.00 0.00 H new ATOM 0 HA ALA A 9 8.408 3.820 -4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.227 3.685 -3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.743 2.094 -3.679 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.863 2.467 -1.943 1.00 0.00 H new ATOM 152 N LEU A 10 9.151 4.163 -1.011 1.00 0.00 N ATOM 153 CA LEU A 10 9.516 5.134 0.007 1.00 0.00 C ATOM 154 C LEU A 10 10.835 5.804 -0.382 1.00 0.00 C ATOM 155 O LEU A 10 10.866 6.999 -0.672 1.00 0.00 O ATOM 156 CB LEU A 10 9.544 4.476 1.389 1.00 0.00 C ATOM 157 CG LEU A 10 8.183 4.234 2.044 1.00 0.00 C ATOM 158 CD1 LEU A 10 8.325 3.374 3.301 1.00 0.00 C ATOM 159 CD2 LEU A 10 7.470 5.557 2.333 1.00 0.00 C ATOM 0 H LEU A 10 9.267 3.189 -0.733 1.00 0.00 H new ATOM 0 HA LEU A 10 8.765 5.921 0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.059 3.519 1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.140 5.100 2.055 1.00 0.00 H new ATOM 0 HG LEU A 10 7.560 3.679 1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.343 3.217 3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.761 2.411 3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 10 8.972 3.880 4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.505 5.356 2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.080 6.159 3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.317 6.099 1.400 1.00 0.00 H new ATOM 171 N GLU A 11 11.892 5.006 -0.375 1.00 0.00 N ATOM 172 CA GLU A 11 13.210 5.507 -0.724 1.00 0.00 C ATOM 173 C GLU A 11 13.141 6.332 -2.011 1.00 0.00 C ATOM 174 O GLU A 11 13.763 7.389 -2.109 1.00 0.00 O ATOM 175 CB GLU A 11 14.214 4.361 -0.861 1.00 0.00 C ATOM 176 CG GLU A 11 14.614 3.815 0.511 1.00 0.00 C ATOM 177 CD GLU A 11 15.971 3.111 0.447 1.00 0.00 C ATOM 178 OE1 GLU A 11 16.012 2.010 -0.144 1.00 0.00 O ATOM 179 OE2 GLU A 11 16.937 3.689 0.990 1.00 0.00 O ATOM 0 H GLU A 11 11.863 4.016 -0.133 1.00 0.00 H new ATOM 0 HA GLU A 11 13.556 6.155 0.082 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.779 3.562 -1.462 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.101 4.711 -1.390 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.657 4.631 1.232 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.855 3.117 0.864 1.00 0.00 H new ATOM 186 N LEU A 12 12.380 5.818 -2.966 1.00 0.00 N ATOM 187 CA LEU A 12 12.222 6.494 -4.242 1.00 0.00 C ATOM 188 C LEU A 12 11.585 7.866 -4.012 1.00 0.00 C ATOM 189 O LEU A 12 12.104 8.880 -4.474 1.00 0.00 O ATOM 190 CB LEU A 12 11.446 5.612 -5.222 1.00 0.00 C ATOM 191 CG LEU A 12 11.119 6.243 -6.578 1.00 0.00 C ATOM 192 CD1 LEU A 12 12.393 6.494 -7.387 1.00 0.00 C ATOM 193 CD2 LEU A 12 10.109 5.392 -7.349 1.00 0.00 C ATOM 0 H LEU A 12 11.866 4.941 -2.881 1.00 0.00 H new ATOM 0 HA LEU A 12 13.194 6.667 -4.705 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.022 4.703 -5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 12 10.511 5.312 -4.748 1.00 0.00 H new ATOM 0 HG LEU A 12 10.654 7.213 -6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 12 12.133 6.943 -8.346 1.00 0.00 H new ATOM 0 HD12 LEU A 12 13.047 7.170 -6.836 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.908 5.549 -7.557 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.894 5.863 -8.308 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.524 4.398 -7.517 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.188 5.308 -6.772 1.00 0.00 H new ATOM 205 N PHE A 13 10.469 7.853 -3.298 1.00 0.00 N ATOM 206 CA PHE A 13 9.756 9.083 -3.001 1.00 0.00 C ATOM 207 C PHE A 13 10.707 10.150 -2.455 1.00 0.00 C ATOM 208 O PHE A 13 10.855 11.217 -3.049 1.00 0.00 O ATOM 209 CB PHE A 13 8.714 8.750 -1.932 1.00 0.00 C ATOM 210 CG PHE A 13 7.785 9.914 -1.584 1.00 0.00 C ATOM 211 CD1 PHE A 13 7.034 10.499 -2.555 1.00 0.00 C ATOM 212 CD2 PHE A 13 7.710 10.365 -0.303 1.00 0.00 C ATOM 213 CE1 PHE A 13 6.171 11.580 -2.232 1.00 0.00 C ATOM 214 CE2 PHE A 13 6.847 11.446 0.020 1.00 0.00 C ATOM 215 CZ PHE A 13 6.096 12.031 -0.951 1.00 0.00 C ATOM 0 H PHE A 13 10.041 7.009 -2.916 1.00 0.00 H new ATOM 0 HA PHE A 13 9.296 9.474 -3.908 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.112 7.909 -2.276 1.00 0.00 H new ATOM 0 HB3 PHE A 13 9.228 8.426 -1.027 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.094 10.142 -3.572 1.00 0.00 H new ATOM 0 HD2 PHE A 13 8.307 9.901 0.469 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.574 12.044 -3.004 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.787 11.803 1.037 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.440 12.853 -0.705 1.00 0.00 H new ATOM 225 N LYS A 14 11.326 9.825 -1.330 1.00 0.00 N ATOM 226 CA LYS A 14 12.259 10.742 -0.697 1.00 0.00 C ATOM 227 C LYS A 14 13.412 11.035 -1.659 1.00 0.00 C ATOM 228 O LYS A 14 13.982 12.124 -1.637 1.00 0.00 O ATOM 229 CB LYS A 14 12.713 10.194 0.658 1.00 0.00 C ATOM 230 CG LYS A 14 13.745 11.119 1.305 1.00 0.00 C ATOM 231 CD LYS A 14 14.515 10.393 2.410 1.00 0.00 C ATOM 232 CE LYS A 14 15.968 10.149 1.997 1.00 0.00 C ATOM 233 NZ LYS A 14 16.809 9.889 3.187 1.00 0.00 N ATOM 0 H LYS A 14 11.200 8.939 -0.840 1.00 0.00 H new ATOM 0 HA LYS A 14 11.772 11.693 -0.483 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.852 10.086 1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.141 9.200 0.527 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.441 11.479 0.548 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.245 11.994 1.720 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.488 10.984 3.326 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.031 9.441 2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.021 9.300 1.315 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.349 11.016 1.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.792 9.726 2.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.773 10.710 3.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.454 9.048 3.686 1.00 0.00 H new ATOM 247 N SER A 15 13.720 10.043 -2.482 1.00 0.00 N ATOM 248 CA SER A 15 14.795 10.181 -3.450 1.00 0.00 C ATOM 249 C SER A 15 14.358 11.105 -4.588 1.00 0.00 C ATOM 250 O SER A 15 15.194 11.725 -5.245 1.00 0.00 O ATOM 251 CB SER A 15 15.215 8.818 -4.004 1.00 0.00 C ATOM 252 OG SER A 15 16.241 8.934 -4.987 1.00 0.00 O ATOM 0 H SER A 15 13.244 9.141 -2.498 1.00 0.00 H new ATOM 0 HA SER A 15 15.656 10.619 -2.945 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.565 8.187 -3.187 1.00 0.00 H new ATOM 0 HB3 SER A 15 14.349 8.322 -4.441 1.00 0.00 H new ATOM 0 HG SER A 15 16.482 8.043 -5.315 1.00 0.00 H new ATOM 258 N LEU A 16 13.050 11.168 -4.787 1.00 0.00 N ATOM 259 CA LEU A 16 12.492 12.007 -5.835 1.00 0.00 C ATOM 260 C LEU A 16 12.535 13.469 -5.389 1.00 0.00 C ATOM 261 O LEU A 16 12.622 13.756 -4.196 1.00 0.00 O ATOM 262 CB LEU A 16 11.093 11.522 -6.221 1.00 0.00 C ATOM 263 CG LEU A 16 11.035 10.280 -7.113 1.00 0.00 C ATOM 264 CD1 LEU A 16 9.588 9.851 -7.362 1.00 0.00 C ATOM 265 CD2 LEU A 16 11.799 10.507 -8.419 1.00 0.00 C ATOM 0 H LEU A 16 12.360 10.652 -4.241 1.00 0.00 H new ATOM 0 HA LEU A 16 13.091 11.933 -6.742 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.537 11.314 -5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.576 12.335 -6.731 1.00 0.00 H new ATOM 0 HG LEU A 16 11.528 9.460 -6.590 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.575 8.966 -7.999 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.108 9.621 -6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 16 9.048 10.660 -7.854 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.742 9.609 -9.035 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.357 11.345 -8.958 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.843 10.729 -8.196 1.00 0.00 H new ATOM 277 N PRO A 17 12.469 14.380 -6.397 1.00 0.00 N ATOM 278 CA PRO A 17 12.499 15.806 -6.121 1.00 0.00 C ATOM 279 C PRO A 17 11.160 16.284 -5.556 1.00 0.00 C ATOM 280 O PRO A 17 10.101 15.864 -6.020 1.00 0.00 O ATOM 281 CB PRO A 17 12.850 16.457 -7.449 1.00 0.00 C ATOM 282 CG PRO A 17 12.547 15.417 -8.515 1.00 0.00 C ATOM 283 CD PRO A 17 12.365 14.077 -7.821 1.00 0.00 C ATOM 0 HA PRO A 17 13.230 16.071 -5.357 1.00 0.00 H new ATOM 0 HB2 PRO A 17 12.263 17.362 -7.608 1.00 0.00 H new ATOM 0 HB3 PRO A 17 13.900 16.749 -7.475 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.646 15.687 -9.066 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.360 15.365 -9.239 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.399 13.634 -8.062 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.129 13.364 -8.131 1.00 0.00 H new ATOM 291 N LYS A 18 11.251 17.155 -4.561 1.00 0.00 N ATOM 292 CA LYS A 18 10.059 17.694 -3.928 1.00 0.00 C ATOM 293 C LYS A 18 8.960 17.862 -4.979 1.00 0.00 C ATOM 294 O LYS A 18 7.966 17.137 -4.964 1.00 0.00 O ATOM 295 CB LYS A 18 10.390 18.983 -3.174 1.00 0.00 C ATOM 296 CG LYS A 18 9.400 19.220 -2.032 1.00 0.00 C ATOM 297 CD LYS A 18 9.727 20.512 -1.281 1.00 0.00 C ATOM 298 CE LYS A 18 9.794 20.268 0.228 1.00 0.00 C ATOM 299 NZ LYS A 18 9.474 21.509 0.968 1.00 0.00 N ATOM 0 H LYS A 18 12.131 17.500 -4.178 1.00 0.00 H new ATOM 0 HA LYS A 18 9.680 17.001 -3.177 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.403 18.926 -2.776 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.366 19.828 -3.862 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.387 19.273 -2.430 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.428 18.377 -1.341 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.680 20.909 -1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.969 21.265 -1.498 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.094 19.481 0.507 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.790 19.920 0.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.524 21.326 1.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.158 22.250 0.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.515 21.824 0.719 1.00 0.00 H new ATOM 313 N GLU A 19 9.175 18.821 -5.867 1.00 0.00 N ATOM 314 CA GLU A 19 8.215 19.093 -6.923 1.00 0.00 C ATOM 315 C GLU A 19 7.532 17.798 -7.366 1.00 0.00 C ATOM 316 O GLU A 19 6.307 17.694 -7.332 1.00 0.00 O ATOM 317 CB GLU A 19 8.886 19.793 -8.107 1.00 0.00 C ATOM 318 CG GLU A 19 10.356 19.386 -8.223 1.00 0.00 C ATOM 319 CD GLU A 19 11.274 20.491 -7.697 1.00 0.00 C ATOM 320 OE1 GLU A 19 11.366 20.610 -6.456 1.00 0.00 O ATOM 321 OE2 GLU A 19 11.863 21.192 -8.548 1.00 0.00 O ATOM 0 H GLU A 19 10.001 19.420 -5.877 1.00 0.00 H new ATOM 0 HA GLU A 19 7.453 19.766 -6.530 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.361 19.540 -9.028 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.813 20.874 -7.984 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.528 18.468 -7.662 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.597 19.173 -9.264 1.00 0.00 H new ATOM 328 N LEU A 20 8.355 16.842 -7.772 1.00 0.00 N ATOM 329 CA LEU A 20 7.846 15.557 -8.221 1.00 0.00 C ATOM 330 C LEU A 20 7.106 14.875 -7.068 1.00 0.00 C ATOM 331 O LEU A 20 5.952 14.476 -7.216 1.00 0.00 O ATOM 332 CB LEU A 20 8.975 14.711 -8.814 1.00 0.00 C ATOM 333 CG LEU A 20 9.402 15.067 -10.239 1.00 0.00 C ATOM 334 CD1 LEU A 20 10.347 14.007 -10.809 1.00 0.00 C ATOM 335 CD2 LEU A 20 8.184 15.291 -11.137 1.00 0.00 C ATOM 0 H LEU A 20 9.371 16.932 -7.799 1.00 0.00 H new ATOM 0 HA LEU A 20 7.124 15.693 -9.027 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.845 14.795 -8.163 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.666 13.666 -8.799 1.00 0.00 H new ATOM 0 HG LEU A 20 9.954 16.006 -10.205 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.635 14.284 -11.823 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.237 13.940 -10.184 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.842 13.041 -10.827 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.516 15.543 -12.144 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.584 14.382 -11.169 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.583 16.108 -10.738 1.00 0.00 H new ATOM 347 N ARG A 21 7.802 14.762 -5.946 1.00 0.00 N ATOM 348 CA ARG A 21 7.225 14.135 -4.769 1.00 0.00 C ATOM 349 C ARG A 21 5.751 14.521 -4.629 1.00 0.00 C ATOM 350 O ARG A 21 4.895 13.658 -4.442 1.00 0.00 O ATOM 351 CB ARG A 21 7.976 14.549 -3.501 1.00 0.00 C ATOM 352 CG ARG A 21 9.408 14.011 -3.512 1.00 0.00 C ATOM 353 CD ARG A 21 10.011 14.029 -2.106 1.00 0.00 C ATOM 354 NE ARG A 21 11.381 14.588 -2.150 1.00 0.00 N ATOM 355 CZ ARG A 21 11.994 15.158 -1.103 1.00 0.00 C ATOM 356 NH1 ARG A 21 11.362 15.249 0.075 1.00 0.00 N ATOM 357 NH2 ARG A 21 13.238 15.638 -1.235 1.00 0.00 N ATOM 0 H ARG A 21 8.759 15.094 -5.827 1.00 0.00 H new ATOM 0 HA ARG A 21 7.311 13.055 -4.893 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.993 15.636 -3.422 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.450 14.174 -2.623 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.415 12.993 -3.902 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.021 14.613 -4.182 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.387 14.626 -1.441 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.035 13.018 -1.698 1.00 0.00 H new ATOM 0 HE ARG A 21 11.890 14.536 -3.032 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.415 14.885 0.175 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.828 15.683 0.872 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.718 15.570 -2.132 1.00 0.00 H new ATOM 0 HH22 ARG A 21 13.704 16.072 -0.438 1.00 0.00 H new ATOM 371 N SER A 22 5.501 15.818 -4.726 1.00 0.00 N ATOM 372 CA SER A 22 4.145 16.329 -4.613 1.00 0.00 C ATOM 373 C SER A 22 3.217 15.565 -5.560 1.00 0.00 C ATOM 374 O SER A 22 2.130 15.147 -5.165 1.00 0.00 O ATOM 375 CB SER A 22 4.095 17.828 -4.916 1.00 0.00 C ATOM 376 OG SER A 22 3.002 18.468 -4.262 1.00 0.00 O ATOM 0 H SER A 22 6.214 16.531 -4.882 1.00 0.00 H new ATOM 0 HA SER A 22 3.808 16.181 -3.587 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.029 18.293 -4.601 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.012 17.978 -5.992 1.00 0.00 H new ATOM 0 HG SER A 22 3.005 19.424 -4.479 1.00 0.00 H new ATOM 382 N GLN A 23 3.681 15.405 -6.790 1.00 0.00 N ATOM 383 CA GLN A 23 2.907 14.698 -7.796 1.00 0.00 C ATOM 384 C GLN A 23 2.741 13.229 -7.402 1.00 0.00 C ATOM 385 O GLN A 23 1.650 12.671 -7.517 1.00 0.00 O ATOM 386 CB GLN A 23 3.554 14.826 -9.177 1.00 0.00 C ATOM 387 CG GLN A 23 3.869 16.287 -9.501 1.00 0.00 C ATOM 388 CD GLN A 23 2.899 16.837 -10.549 1.00 0.00 C ATOM 389 OE1 GLN A 23 1.834 17.346 -10.240 1.00 0.00 O ATOM 390 NE2 GLN A 23 3.325 16.708 -11.802 1.00 0.00 N ATOM 0 H GLN A 23 4.584 15.753 -7.113 1.00 0.00 H new ATOM 0 HA GLN A 23 1.918 15.153 -7.852 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.470 14.237 -9.209 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.886 14.418 -9.935 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.807 16.886 -8.593 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.892 16.370 -9.868 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.227 16.272 -11.992 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.749 17.045 -12.574 1.00 0.00 H new ATOM 399 N VAL A 24 3.838 12.644 -6.946 1.00 0.00 N ATOM 400 CA VAL A 24 3.828 11.250 -6.534 1.00 0.00 C ATOM 401 C VAL A 24 2.610 10.995 -5.644 1.00 0.00 C ATOM 402 O VAL A 24 1.757 10.173 -5.974 1.00 0.00 O ATOM 403 CB VAL A 24 5.151 10.896 -5.853 1.00 0.00 C ATOM 404 CG1 VAL A 24 5.117 9.471 -5.297 1.00 0.00 C ATOM 405 CG2 VAL A 24 6.329 11.081 -6.813 1.00 0.00 C ATOM 0 H VAL A 24 4.741 13.110 -6.852 1.00 0.00 H new ATOM 0 HA VAL A 24 3.740 10.596 -7.401 1.00 0.00 H new ATOM 0 HB VAL A 24 5.290 11.580 -5.016 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.070 9.244 -4.818 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.314 9.385 -4.566 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.944 8.767 -6.111 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.257 10.823 -6.304 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.198 10.433 -7.679 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.372 12.120 -7.140 1.00 0.00 H new ATOM 415 N LEU A 25 2.569 11.714 -4.532 1.00 0.00 N ATOM 416 CA LEU A 25 1.470 11.576 -3.592 1.00 0.00 C ATOM 417 C LEU A 25 0.151 11.500 -4.363 1.00 0.00 C ATOM 418 O LEU A 25 -0.731 10.715 -4.017 1.00 0.00 O ATOM 419 CB LEU A 25 1.510 12.697 -2.552 1.00 0.00 C ATOM 420 CG LEU A 25 2.746 12.731 -1.650 1.00 0.00 C ATOM 421 CD1 LEU A 25 2.664 13.887 -0.651 1.00 0.00 C ATOM 422 CD2 LEU A 25 2.953 11.385 -0.952 1.00 0.00 C ATOM 0 H LEU A 25 3.279 12.394 -4.261 1.00 0.00 H new ATOM 0 HA LEU A 25 1.565 10.647 -3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.438 13.652 -3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.626 12.611 -1.920 1.00 0.00 H new ATOM 0 HG LEU A 25 3.621 12.907 -2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.554 13.888 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.600 14.831 -1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.779 13.766 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.838 11.436 -0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.081 11.154 -0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.088 10.604 -1.700 1.00 0.00 H new ATOM 434 N LEU A 26 0.056 12.327 -5.394 1.00 0.00 N ATOM 435 CA LEU A 26 -1.140 12.364 -6.217 1.00 0.00 C ATOM 436 C LEU A 26 -1.183 11.117 -7.103 1.00 0.00 C ATOM 437 O LEU A 26 -2.171 10.384 -7.103 1.00 0.00 O ATOM 438 CB LEU A 26 -1.213 13.677 -6.999 1.00 0.00 C ATOM 439 CG LEU A 26 -1.864 14.855 -6.273 1.00 0.00 C ATOM 440 CD1 LEU A 26 -3.289 14.509 -5.835 1.00 0.00 C ATOM 441 CD2 LEU A 26 -1.001 15.320 -5.098 1.00 0.00 C ATOM 0 H LEU A 26 0.789 12.977 -5.678 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.033 12.343 -5.592 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.201 13.965 -7.282 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.763 13.497 -7.923 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.935 15.689 -6.971 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.729 15.364 -5.321 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.889 14.263 -6.711 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.265 13.653 -5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.487 16.159 -4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.877 14.500 -4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.024 15.633 -5.466 1.00 0.00 H new ATOM 453 N GLU A 27 -0.098 10.915 -7.837 1.00 0.00 N ATOM 454 CA GLU A 27 0.001 9.769 -8.726 1.00 0.00 C ATOM 455 C GLU A 27 -0.535 8.513 -8.035 1.00 0.00 C ATOM 456 O GLU A 27 -1.373 7.805 -8.591 1.00 0.00 O ATOM 457 CB GLU A 27 1.442 9.564 -9.197 1.00 0.00 C ATOM 458 CG GLU A 27 2.010 10.849 -9.801 1.00 0.00 C ATOM 459 CD GLU A 27 2.610 10.587 -11.184 1.00 0.00 C ATOM 460 OE1 GLU A 27 3.767 10.114 -11.219 1.00 0.00 O ATOM 461 OE2 GLU A 27 1.899 10.866 -12.173 1.00 0.00 O ATOM 0 H GLU A 27 0.720 11.525 -7.834 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.610 9.963 -9.607 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.061 9.248 -8.357 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.476 8.764 -9.937 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.222 11.598 -9.879 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.775 11.258 -9.141 1.00 0.00 H new ATOM 468 N TYR A 28 -0.029 8.276 -6.834 1.00 0.00 N ATOM 469 CA TYR A 28 -0.446 7.119 -6.061 1.00 0.00 C ATOM 470 C TYR A 28 -1.972 7.013 -6.011 1.00 0.00 C ATOM 471 O TYR A 28 -2.551 6.076 -6.559 1.00 0.00 O ATOM 472 CB TYR A 28 0.084 7.344 -4.644 1.00 0.00 C ATOM 473 CG TYR A 28 1.574 7.037 -4.481 1.00 0.00 C ATOM 474 CD1 TYR A 28 2.139 5.976 -5.159 1.00 0.00 C ATOM 475 CD2 TYR A 28 2.354 7.822 -3.657 1.00 0.00 C ATOM 476 CE1 TYR A 28 3.541 5.688 -5.006 1.00 0.00 C ATOM 477 CE2 TYR A 28 3.757 7.534 -3.503 1.00 0.00 C ATOM 478 CZ TYR A 28 4.281 6.481 -4.186 1.00 0.00 C ATOM 479 OH TYR A 28 5.606 6.208 -4.041 1.00 0.00 O ATOM 0 H TYR A 28 0.666 8.866 -6.377 1.00 0.00 H new ATOM 0 HA TYR A 28 -0.065 6.201 -6.509 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.096 8.381 -4.360 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.483 6.721 -3.952 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.529 5.362 -5.805 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.912 8.653 -3.127 1.00 0.00 H new ATOM 0 HE1 TYR A 28 3.995 4.860 -5.531 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.378 8.140 -2.860 1.00 0.00 H new ATOM 0 HH TYR A 28 6.008 6.857 -3.426 1.00 0.00 H new ATOM 489 N ALA A 29 -2.579 7.988 -5.350 1.00 0.00 N ATOM 490 CA ALA A 29 -4.026 8.016 -5.221 1.00 0.00 C ATOM 491 C ALA A 29 -4.660 7.850 -6.604 1.00 0.00 C ATOM 492 O ALA A 29 -5.796 7.394 -6.719 1.00 0.00 O ATOM 493 CB ALA A 29 -4.452 9.317 -4.537 1.00 0.00 C ATOM 0 H ALA A 29 -2.095 8.764 -4.898 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.372 7.191 -4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.537 9.339 -4.440 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.998 9.373 -3.548 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.124 10.167 -5.136 1.00 0.00 H new ATOM 499 N ALA A 30 -3.897 8.229 -7.619 1.00 0.00 N ATOM 500 CA ALA A 30 -4.370 8.128 -8.989 1.00 0.00 C ATOM 501 C ALA A 30 -4.329 6.664 -9.431 1.00 0.00 C ATOM 502 O ALA A 30 -5.178 6.220 -10.203 1.00 0.00 O ATOM 503 CB ALA A 30 -3.526 9.033 -9.889 1.00 0.00 C ATOM 0 H ALA A 30 -2.955 8.606 -7.520 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.403 8.466 -9.064 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.881 8.957 -10.917 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.613 10.065 -9.551 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.482 8.722 -9.842 1.00 0.00 H new ATOM 509 N LYS A 31 -3.333 5.953 -8.923 1.00 0.00 N ATOM 510 CA LYS A 31 -3.170 4.548 -9.256 1.00 0.00 C ATOM 511 C LYS A 31 -4.127 3.712 -8.404 1.00 0.00 C ATOM 512 O LYS A 31 -4.630 2.684 -8.856 1.00 0.00 O ATOM 513 CB LYS A 31 -1.704 4.132 -9.121 1.00 0.00 C ATOM 514 CG LYS A 31 -0.854 4.748 -10.234 1.00 0.00 C ATOM 515 CD LYS A 31 0.608 4.875 -9.801 1.00 0.00 C ATOM 516 CE LYS A 31 1.228 6.167 -10.338 1.00 0.00 C ATOM 517 NZ LYS A 31 2.413 5.865 -11.172 1.00 0.00 N ATOM 0 H LYS A 31 -2.631 6.324 -8.283 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.433 4.371 -10.299 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.321 4.446 -8.150 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.626 3.045 -9.158 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.919 4.131 -11.130 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.247 5.731 -10.495 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.671 4.862 -8.713 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.174 4.017 -10.164 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.491 6.714 -10.927 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.515 6.812 -9.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.822 6.752 -11.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.121 5.363 -10.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.129 5.267 -11.975 1.00 0.00 H new ATOM 531 N VAL A 32 -4.351 4.184 -7.187 1.00 0.00 N ATOM 532 CA VAL A 32 -5.240 3.493 -6.268 1.00 0.00 C ATOM 533 C VAL A 32 -6.498 3.051 -7.018 1.00 0.00 C ATOM 534 O VAL A 32 -7.379 3.864 -7.294 1.00 0.00 O ATOM 535 CB VAL A 32 -5.545 4.386 -5.064 1.00 0.00 C ATOM 536 CG1 VAL A 32 -6.703 3.820 -4.240 1.00 0.00 C ATOM 537 CG2 VAL A 32 -4.299 4.581 -4.196 1.00 0.00 C ATOM 0 H VAL A 32 -3.932 5.037 -6.815 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.762 2.595 -5.877 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.848 5.363 -5.441 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.899 4.474 -3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.596 3.757 -4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.441 2.825 -3.879 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.543 5.220 -3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.953 3.613 -3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.513 5.049 -4.788 1.00 0.00 H new ATOM 547 N PRO A 33 -6.544 1.729 -7.334 1.00 0.00 N ATOM 548 CA PRO A 33 -7.679 1.168 -8.046 1.00 0.00 C ATOM 549 C PRO A 33 -8.890 1.025 -7.121 1.00 0.00 C ATOM 550 O PRO A 33 -8.743 0.993 -5.900 1.00 0.00 O ATOM 551 CB PRO A 33 -7.185 -0.163 -8.589 1.00 0.00 C ATOM 552 CG PRO A 33 -5.950 -0.512 -7.775 1.00 0.00 C ATOM 553 CD PRO A 33 -5.519 0.736 -7.022 1.00 0.00 C ATOM 0 HA PRO A 33 -8.026 1.809 -8.857 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.949 -0.934 -8.489 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.945 -0.087 -9.650 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -6.168 -1.322 -7.079 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.149 -0.860 -8.427 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.460 0.551 -5.949 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.532 1.071 -7.342 1.00 0.00 H new ATOM 561 N PRO A 34 -10.090 0.939 -7.755 1.00 0.00 N ATOM 562 CA PRO A 34 -11.325 0.799 -7.002 1.00 0.00 C ATOM 563 C PRO A 34 -11.475 -0.621 -6.453 1.00 0.00 C ATOM 564 O PRO A 34 -10.935 -1.570 -7.019 1.00 0.00 O ATOM 565 CB PRO A 34 -12.426 1.177 -7.980 1.00 0.00 C ATOM 566 CG PRO A 34 -11.810 1.064 -9.365 1.00 0.00 C ATOM 567 CD PRO A 34 -10.302 0.973 -9.199 1.00 0.00 C ATOM 0 HA PRO A 34 -11.355 1.440 -6.121 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -13.284 0.512 -7.879 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -12.784 2.189 -7.793 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -12.191 0.183 -9.881 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -12.076 1.929 -9.973 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -9.904 0.079 -9.679 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -9.801 1.828 -9.653 1.00 0.00 H new ATOM 575 N PRO A 35 -12.231 -0.724 -5.327 1.00 0.00 N ATOM 576 CA PRO A 35 -12.459 -2.013 -4.695 1.00 0.00 C ATOM 577 C PRO A 35 -13.468 -2.843 -5.490 1.00 0.00 C ATOM 578 O PRO A 35 -14.384 -2.295 -6.101 1.00 0.00 O ATOM 579 CB PRO A 35 -12.937 -1.682 -3.290 1.00 0.00 C ATOM 580 CG PRO A 35 -13.403 -0.236 -3.338 1.00 0.00 C ATOM 581 CD PRO A 35 -12.886 0.378 -4.629 1.00 0.00 C ATOM 0 HA PRO A 35 -11.561 -2.630 -4.661 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.748 -2.344 -2.987 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -12.134 -1.810 -2.564 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -14.491 -0.184 -3.300 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.027 0.315 -2.476 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -13.699 0.795 -5.223 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -12.188 1.191 -4.429 1.00 0.00 H new ATOM 589 N PRO A 36 -13.260 -4.187 -5.456 1.00 0.00 N ATOM 590 CA PRO A 36 -14.140 -5.099 -6.166 1.00 0.00 C ATOM 591 C PRO A 36 -15.476 -5.252 -5.436 1.00 0.00 C ATOM 592 O PRO A 36 -15.553 -5.044 -4.226 1.00 0.00 O ATOM 593 CB PRO A 36 -13.363 -6.401 -6.262 1.00 0.00 C ATOM 594 CG PRO A 36 -12.275 -6.317 -5.204 1.00 0.00 C ATOM 595 CD PRO A 36 -12.185 -4.871 -4.743 1.00 0.00 C ATOM 0 HA PRO A 36 -14.408 -4.737 -7.159 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.013 -7.258 -6.086 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -12.933 -6.526 -7.256 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.508 -6.972 -4.364 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.320 -6.648 -5.611 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -12.312 -4.791 -3.663 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.213 -4.439 -4.982 1.00 0.00 H new ATOM 603 N PRO A 37 -16.522 -5.623 -6.222 1.00 0.00 N ATOM 604 CA PRO A 37 -17.850 -5.807 -5.662 1.00 0.00 C ATOM 605 C PRO A 37 -17.936 -7.113 -4.871 1.00 0.00 C ATOM 606 O PRO A 37 -17.617 -8.181 -5.392 1.00 0.00 O ATOM 607 CB PRO A 37 -18.788 -5.774 -6.858 1.00 0.00 C ATOM 608 CG PRO A 37 -17.920 -6.039 -8.077 1.00 0.00 C ATOM 609 CD PRO A 37 -16.467 -5.878 -7.658 1.00 0.00 C ATOM 0 HA PRO A 37 -18.114 -5.032 -4.943 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -19.568 -6.529 -6.763 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -19.287 -4.808 -6.936 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -18.098 -7.044 -8.461 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -18.165 -5.343 -8.879 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -15.889 -6.775 -7.879 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -15.991 -5.054 -8.189 1.00 0.00 H new ATOM 617 N GLY A 38 -18.369 -6.985 -3.625 1.00 0.00 N ATOM 618 CA GLY A 38 -18.501 -8.143 -2.756 1.00 0.00 C ATOM 619 C GLY A 38 -17.396 -8.163 -1.698 1.00 0.00 C ATOM 620 O GLY A 38 -17.378 -9.036 -0.832 1.00 0.00 O ATOM 0 H GLY A 38 -18.633 -6.098 -3.197 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.476 -8.127 -2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.457 -9.055 -3.351 1.00 0.00 H new ATOM 624 N VAL A 39 -16.502 -7.191 -1.804 1.00 0.00 N ATOM 625 CA VAL A 39 -15.396 -7.087 -0.867 1.00 0.00 C ATOM 626 C VAL A 39 -15.794 -6.160 0.283 1.00 0.00 C ATOM 627 O VAL A 39 -16.324 -5.074 0.055 1.00 0.00 O ATOM 628 CB VAL A 39 -14.133 -6.625 -1.598 1.00 0.00 C ATOM 629 CG1 VAL A 39 -13.157 -5.950 -0.632 1.00 0.00 C ATOM 630 CG2 VAL A 39 -13.464 -7.792 -2.327 1.00 0.00 C ATOM 0 H VAL A 39 -16.521 -6.469 -2.524 1.00 0.00 H new ATOM 0 HA VAL A 39 -15.168 -8.061 -0.435 1.00 0.00 H new ATOM 0 HB VAL A 39 -14.428 -5.888 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.268 -5.631 -1.176 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -13.636 -5.082 -0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -12.871 -6.655 0.148 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.569 -7.437 -2.838 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -13.189 -8.562 -1.606 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -14.157 -8.210 -3.057 1.00 0.00 H new ATOM 640 N GLU A 40 -15.523 -6.623 1.495 1.00 0.00 N ATOM 641 CA GLU A 40 -15.846 -5.849 2.681 1.00 0.00 C ATOM 642 C GLU A 40 -14.589 -5.171 3.231 1.00 0.00 C ATOM 643 O GLU A 40 -13.635 -5.845 3.617 1.00 0.00 O ATOM 644 CB GLU A 40 -16.505 -6.727 3.746 1.00 0.00 C ATOM 645 CG GLU A 40 -16.396 -6.086 5.131 1.00 0.00 C ATOM 646 CD GLU A 40 -17.383 -6.724 6.110 1.00 0.00 C ATOM 647 OE1 GLU A 40 -17.313 -7.963 6.261 1.00 0.00 O ATOM 648 OE2 GLU A 40 -18.186 -5.959 6.686 1.00 0.00 O ATOM 0 H GLU A 40 -15.083 -7.524 1.681 1.00 0.00 H new ATOM 0 HA GLU A 40 -16.561 -5.075 2.402 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -17.554 -6.883 3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -16.031 -7.708 3.757 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -15.380 -6.199 5.509 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -16.592 -5.016 5.057 1.00 0.00 H new ATOM 655 N LEU A 41 -14.630 -3.847 3.250 1.00 0.00 N ATOM 656 CA LEU A 41 -13.506 -3.071 3.747 1.00 0.00 C ATOM 657 C LEU A 41 -13.807 -2.599 5.170 1.00 0.00 C ATOM 658 O LEU A 41 -14.967 -2.407 5.532 1.00 0.00 O ATOM 659 CB LEU A 41 -13.172 -1.934 2.779 1.00 0.00 C ATOM 660 CG LEU A 41 -12.763 -2.353 1.366 1.00 0.00 C ATOM 661 CD1 LEU A 41 -13.875 -2.048 0.360 1.00 0.00 C ATOM 662 CD2 LEU A 41 -11.435 -1.709 0.965 1.00 0.00 C ATOM 0 H LEU A 41 -15.423 -3.292 2.929 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.609 -3.689 3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -14.041 -1.280 2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.364 -1.343 3.209 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.611 -3.432 1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.558 -2.356 -0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.777 -2.593 0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.083 -0.978 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.168 -2.024 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.534 -0.624 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.655 -2.020 1.660 1.00 0.00 H new ATOM 674 N GLU A 42 -12.743 -2.425 5.940 1.00 0.00 N ATOM 675 CA GLU A 42 -12.879 -1.979 7.316 1.00 0.00 C ATOM 676 C GLU A 42 -12.519 -0.496 7.431 1.00 0.00 C ATOM 677 O GLU A 42 -11.391 -0.103 7.138 1.00 0.00 O ATOM 678 CB GLU A 42 -12.018 -2.826 8.255 1.00 0.00 C ATOM 679 CG GLU A 42 -12.112 -2.317 9.694 1.00 0.00 C ATOM 680 CD GLU A 42 -12.706 -3.385 10.616 1.00 0.00 C ATOM 681 OE1 GLU A 42 -12.273 -4.551 10.486 1.00 0.00 O ATOM 682 OE2 GLU A 42 -13.579 -3.012 11.428 1.00 0.00 O ATOM 0 H GLU A 42 -11.782 -2.585 5.637 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.919 -2.105 7.617 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.341 -3.866 8.212 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.980 -2.801 7.924 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.121 -2.035 10.049 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.729 -1.419 9.726 1.00 0.00 H new ATOM 689 N ARG A 43 -13.499 0.286 7.859 1.00 0.00 N ATOM 690 CA ARG A 43 -13.300 1.717 8.017 1.00 0.00 C ATOM 691 C ARG A 43 -12.322 1.994 9.161 1.00 0.00 C ATOM 692 O ARG A 43 -12.368 1.329 10.196 1.00 0.00 O ATOM 693 CB ARG A 43 -14.624 2.429 8.303 1.00 0.00 C ATOM 694 CG ARG A 43 -14.385 3.774 8.992 1.00 0.00 C ATOM 695 CD ARG A 43 -15.392 4.822 8.513 1.00 0.00 C ATOM 696 NE ARG A 43 -14.821 6.179 8.664 1.00 0.00 N ATOM 697 CZ ARG A 43 -14.847 6.882 9.805 1.00 0.00 C ATOM 698 NH1 ARG A 43 -15.417 6.361 10.900 1.00 0.00 N ATOM 699 NH2 ARG A 43 -14.305 8.106 9.850 1.00 0.00 N ATOM 0 H ARG A 43 -14.433 -0.044 8.101 1.00 0.00 H new ATOM 0 HA ARG A 43 -12.889 2.100 7.083 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -15.166 2.585 7.370 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -15.251 1.799 8.934 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -14.467 3.653 10.072 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.371 4.117 8.786 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -15.649 4.641 7.469 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.315 4.741 9.087 1.00 0.00 H new ATOM 0 HE ARG A 43 -14.380 6.606 7.849 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -15.831 5.429 10.865 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -15.437 6.896 11.768 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -13.872 8.503 9.016 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.325 8.641 10.718 1.00 0.00 H new ATOM 713 N VAL A 44 -11.462 2.976 8.937 1.00 0.00 N ATOM 714 CA VAL A 44 -10.475 3.348 9.936 1.00 0.00 C ATOM 715 C VAL A 44 -11.048 4.454 10.825 1.00 0.00 C ATOM 716 O VAL A 44 -10.903 5.637 10.522 1.00 0.00 O ATOM 717 CB VAL A 44 -9.165 3.749 9.255 1.00 0.00 C ATOM 718 CG1 VAL A 44 -8.106 4.138 10.288 1.00 0.00 C ATOM 719 CG2 VAL A 44 -8.657 2.629 8.343 1.00 0.00 C ATOM 0 H VAL A 44 -11.428 3.526 8.078 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.245 2.499 10.579 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.363 4.623 8.635 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.185 4.419 9.777 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.465 4.981 10.878 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.912 3.291 10.947 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.725 2.939 7.871 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.483 1.730 8.934 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.401 2.420 7.574 1.00 0.00 H new ATOM 729 N HIS A 45 -11.687 4.029 11.905 1.00 0.00 N ATOM 730 CA HIS A 45 -12.283 4.968 12.840 1.00 0.00 C ATOM 731 C HIS A 45 -11.252 6.030 13.228 1.00 0.00 C ATOM 732 O HIS A 45 -11.608 7.176 13.497 1.00 0.00 O ATOM 733 CB HIS A 45 -12.864 4.235 14.051 1.00 0.00 C ATOM 734 CG HIS A 45 -14.187 3.558 13.783 1.00 0.00 C ATOM 735 ND1 HIS A 45 -14.441 2.840 12.628 1.00 0.00 N ATOM 736 CD2 HIS A 45 -15.325 3.497 14.533 1.00 0.00 C ATOM 737 CE1 HIS A 45 -15.679 2.373 12.690 1.00 0.00 C ATOM 738 NE2 HIS A 45 -16.225 2.782 13.871 1.00 0.00 N ATOM 0 H HIS A 45 -11.805 3.047 12.153 1.00 0.00 H new ATOM 0 HA HIS A 45 -13.119 5.480 12.363 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -12.147 3.487 14.388 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -12.990 4.946 14.867 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -15.469 3.953 15.501 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -16.170 1.774 11.938 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -17.170 2.572 14.192 1.00 0.00 H new ATOM 746 N GLU A 46 -9.996 5.610 13.245 1.00 0.00 N ATOM 747 CA GLU A 46 -8.911 6.511 13.596 1.00 0.00 C ATOM 748 C GLU A 46 -8.893 7.714 12.651 1.00 0.00 C ATOM 749 O GLU A 46 -8.427 8.791 13.020 1.00 0.00 O ATOM 750 CB GLU A 46 -7.566 5.781 13.579 1.00 0.00 C ATOM 751 CG GLU A 46 -6.844 5.931 14.920 1.00 0.00 C ATOM 752 CD GLU A 46 -6.804 4.599 15.673 1.00 0.00 C ATOM 753 OE1 GLU A 46 -7.896 4.137 16.067 1.00 0.00 O ATOM 754 OE2 GLU A 46 -5.682 4.073 15.836 1.00 0.00 O ATOM 0 H GLU A 46 -9.705 4.658 13.022 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.079 6.873 14.610 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.724 4.724 13.363 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.942 6.180 12.779 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.828 6.289 14.752 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.350 6.681 15.528 1.00 0.00 H new ATOM 761 N CYS A 47 -9.408 7.491 11.451 1.00 0.00 N ATOM 762 CA CYS A 47 -9.457 8.544 10.451 1.00 0.00 C ATOM 763 C CYS A 47 -10.850 9.177 10.488 1.00 0.00 C ATOM 764 O CYS A 47 -11.836 8.536 10.127 1.00 0.00 O ATOM 765 CB CYS A 47 -9.106 8.017 9.057 1.00 0.00 C ATOM 766 SG CYS A 47 -8.155 9.278 8.133 1.00 0.00 S ATOM 0 H CYS A 47 -9.795 6.597 11.149 1.00 0.00 H new ATOM 0 HA CYS A 47 -8.708 9.302 10.680 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.523 7.100 9.142 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -10.017 7.766 8.514 1.00 0.00 H new ATOM 0 HG CYS A 47 -7.860 8.820 6.952 1.00 0.00 H new ATOM 772 N GLN A 48 -10.885 10.426 10.927 1.00 0.00 N ATOM 773 CA GLN A 48 -12.140 11.153 11.016 1.00 0.00 C ATOM 774 C GLN A 48 -12.858 11.140 9.664 1.00 0.00 C ATOM 775 O GLN A 48 -14.069 11.347 9.598 1.00 0.00 O ATOM 776 CB GLN A 48 -11.912 12.585 11.502 1.00 0.00 C ATOM 777 CG GLN A 48 -10.698 13.211 10.813 1.00 0.00 C ATOM 778 CD GLN A 48 -11.075 14.523 10.121 1.00 0.00 C ATOM 779 OE1 GLN A 48 -12.233 14.805 9.858 1.00 0.00 O ATOM 780 NE2 GLN A 48 -10.037 15.306 9.843 1.00 0.00 N ATOM 0 H GLN A 48 -10.064 10.953 11.225 1.00 0.00 H new ATOM 0 HA GLN A 48 -12.775 10.654 11.748 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -12.799 13.186 11.301 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -11.763 12.587 12.582 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -9.914 13.395 11.547 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -10.291 12.513 10.081 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.093 15.009 10.091 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -10.184 16.204 9.382 1.00 0.00 H new ATOM 789 N THR A 49 -12.080 10.896 8.620 1.00 0.00 N ATOM 790 CA THR A 49 -12.626 10.854 7.274 1.00 0.00 C ATOM 791 C THR A 49 -13.047 9.428 6.913 1.00 0.00 C ATOM 792 O THR A 49 -12.655 8.473 7.582 1.00 0.00 O ATOM 793 CB THR A 49 -11.581 11.438 6.321 1.00 0.00 C ATOM 794 OG1 THR A 49 -10.622 10.394 6.175 1.00 0.00 O ATOM 795 CG2 THR A 49 -10.789 12.585 6.953 1.00 0.00 C ATOM 0 H THR A 49 -11.076 10.725 8.679 1.00 0.00 H new ATOM 0 HA THR A 49 -13.531 11.456 7.196 1.00 0.00 H new ATOM 0 HB THR A 49 -12.073 11.792 5.415 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.048 10.364 6.969 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.061 12.963 6.235 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.472 13.387 7.235 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.269 12.223 7.840 1.00 0.00 H new ATOM 803 N PRO A 50 -13.861 9.326 5.828 1.00 0.00 N ATOM 804 CA PRO A 50 -14.339 8.033 5.371 1.00 0.00 C ATOM 805 C PRO A 50 -13.230 7.260 4.655 1.00 0.00 C ATOM 806 O PRO A 50 -13.022 7.434 3.455 1.00 0.00 O ATOM 807 CB PRO A 50 -15.522 8.348 4.469 1.00 0.00 C ATOM 808 CG PRO A 50 -15.375 9.811 4.084 1.00 0.00 C ATOM 809 CD PRO A 50 -14.345 10.435 5.012 1.00 0.00 C ATOM 0 HA PRO A 50 -14.642 7.382 6.191 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -15.520 7.710 3.585 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -16.465 8.173 4.987 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -15.058 9.903 3.045 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -16.331 10.327 4.172 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -13.533 10.896 4.450 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -14.790 11.216 5.629 1.00 0.00 H new ATOM 817 N PHE A 51 -12.547 6.422 5.421 1.00 0.00 N ATOM 818 CA PHE A 51 -11.464 5.622 4.875 1.00 0.00 C ATOM 819 C PHE A 51 -11.693 4.133 5.145 1.00 0.00 C ATOM 820 O PHE A 51 -11.656 3.695 6.294 1.00 0.00 O ATOM 821 CB PHE A 51 -10.181 6.065 5.579 1.00 0.00 C ATOM 822 CG PHE A 51 -8.900 5.534 4.932 1.00 0.00 C ATOM 823 CD1 PHE A 51 -8.829 5.393 3.581 1.00 0.00 C ATOM 824 CD2 PHE A 51 -7.833 5.203 5.707 1.00 0.00 C ATOM 825 CE1 PHE A 51 -7.641 4.900 2.980 1.00 0.00 C ATOM 826 CE2 PHE A 51 -6.645 4.710 5.107 1.00 0.00 C ATOM 827 CZ PHE A 51 -6.574 4.569 3.756 1.00 0.00 C ATOM 0 H PHE A 51 -12.723 6.280 6.416 1.00 0.00 H new ATOM 0 HA PHE A 51 -11.404 5.763 3.796 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -10.144 7.154 5.593 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -10.216 5.734 6.617 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -9.676 5.656 2.965 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.889 5.315 6.780 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.584 4.788 1.907 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.798 4.447 5.723 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.670 4.194 3.299 1.00 0.00 H new ATOM 837 N PHE A 52 -11.923 3.397 4.068 1.00 0.00 N ATOM 838 CA PHE A 52 -12.157 1.967 4.174 1.00 0.00 C ATOM 839 C PHE A 52 -11.024 1.176 3.519 1.00 0.00 C ATOM 840 O PHE A 52 -10.851 1.223 2.303 1.00 0.00 O ATOM 841 CB PHE A 52 -13.463 1.672 3.434 1.00 0.00 C ATOM 842 CG PHE A 52 -14.557 2.717 3.660 1.00 0.00 C ATOM 843 CD1 PHE A 52 -15.347 2.647 4.766 1.00 0.00 C ATOM 844 CD2 PHE A 52 -14.741 3.716 2.756 1.00 0.00 C ATOM 845 CE1 PHE A 52 -16.362 3.617 4.976 1.00 0.00 C ATOM 846 CE2 PHE A 52 -15.756 4.686 2.966 1.00 0.00 C ATOM 847 CZ PHE A 52 -16.545 4.616 4.072 1.00 0.00 C ATOM 0 H PHE A 52 -11.952 3.764 3.117 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.208 1.675 5.223 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.256 1.603 2.366 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.835 0.697 3.750 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -15.202 1.853 5.484 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -14.115 3.771 1.878 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -16.989 3.561 5.854 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -15.902 5.479 2.248 1.00 0.00 H new ATOM 0 HZ PHE A 52 -17.317 5.354 4.232 1.00 0.00 H new ATOM 857 N VAL A 53 -10.280 0.467 4.356 1.00 0.00 N ATOM 858 CA VAL A 53 -9.167 -0.334 3.874 1.00 0.00 C ATOM 859 C VAL A 53 -9.524 -1.817 3.990 1.00 0.00 C ATOM 860 O VAL A 53 -10.481 -2.177 4.674 1.00 0.00 O ATOM 861 CB VAL A 53 -7.890 0.035 4.631 1.00 0.00 C ATOM 862 CG1 VAL A 53 -7.655 1.547 4.605 1.00 0.00 C ATOM 863 CG2 VAL A 53 -7.934 -0.488 6.068 1.00 0.00 C ATOM 0 H VAL A 53 -10.426 0.431 5.365 1.00 0.00 H new ATOM 0 HA VAL A 53 -8.975 -0.127 2.821 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.051 -0.443 4.126 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.741 1.783 5.150 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.558 1.882 3.572 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.498 2.054 5.074 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.014 -0.212 6.584 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.787 -0.052 6.588 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.032 -1.574 6.057 1.00 0.00 H new ATOM 873 N HIS A 54 -8.736 -2.637 3.311 1.00 0.00 N ATOM 874 CA HIS A 54 -8.956 -4.074 3.329 1.00 0.00 C ATOM 875 C HIS A 54 -7.667 -4.796 2.933 1.00 0.00 C ATOM 876 O HIS A 54 -7.014 -4.420 1.961 1.00 0.00 O ATOM 877 CB HIS A 54 -10.144 -4.452 2.443 1.00 0.00 C ATOM 878 CG HIS A 54 -10.651 -5.858 2.662 1.00 0.00 C ATOM 879 ND1 HIS A 54 -11.173 -6.287 3.869 1.00 0.00 N ATOM 880 CD2 HIS A 54 -10.709 -6.926 1.815 1.00 0.00 C ATOM 881 CE1 HIS A 54 -11.526 -7.558 3.744 1.00 0.00 C ATOM 882 NE2 HIS A 54 -11.238 -7.952 2.470 1.00 0.00 N ATOM 0 H HIS A 54 -7.944 -2.334 2.744 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.214 -4.394 4.339 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -10.958 -3.751 2.626 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -9.855 -4.340 1.398 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -10.380 -6.935 0.786 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -11.965 -8.174 4.515 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -11.402 -8.882 2.084 1.00 0.00 H new ATOM 890 N ALA A 55 -7.339 -5.820 3.708 1.00 0.00 N ATOM 891 CA ALA A 55 -6.139 -6.598 3.450 1.00 0.00 C ATOM 892 C ALA A 55 -6.499 -8.085 3.416 1.00 0.00 C ATOM 893 O ALA A 55 -7.131 -8.596 4.340 1.00 0.00 O ATOM 894 CB ALA A 55 -5.085 -6.278 4.511 1.00 0.00 C ATOM 0 H ALA A 55 -7.883 -6.129 4.514 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.714 -6.339 2.480 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.185 -6.862 4.317 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.843 -5.216 4.475 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.474 -6.528 5.498 1.00 0.00 H new ATOM 900 N ASP A 56 -6.081 -8.738 2.342 1.00 0.00 N ATOM 901 CA ASP A 56 -6.351 -10.156 2.175 1.00 0.00 C ATOM 902 C ASP A 56 -5.166 -10.817 1.469 1.00 0.00 C ATOM 903 O ASP A 56 -4.295 -10.131 0.937 1.00 0.00 O ATOM 904 CB ASP A 56 -7.598 -10.382 1.318 1.00 0.00 C ATOM 905 CG ASP A 56 -8.902 -10.541 2.103 1.00 0.00 C ATOM 906 OD1 ASP A 56 -8.816 -10.556 3.349 1.00 0.00 O ATOM 907 OD2 ASP A 56 -9.955 -10.643 1.438 1.00 0.00 O ATOM 0 H ASP A 56 -5.557 -8.311 1.578 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.510 -10.588 3.163 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.705 -9.543 0.631 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.446 -11.274 0.710 1.00 0.00 H new ATOM 912 N VAL A 57 -5.171 -12.142 1.488 1.00 0.00 N ATOM 913 CA VAL A 57 -4.107 -12.904 0.857 1.00 0.00 C ATOM 914 C VAL A 57 -4.676 -13.676 -0.335 1.00 0.00 C ATOM 915 O VAL A 57 -5.368 -14.677 -0.156 1.00 0.00 O ATOM 916 CB VAL A 57 -3.428 -13.809 1.887 1.00 0.00 C ATOM 917 CG1 VAL A 57 -2.255 -14.567 1.263 1.00 0.00 C ATOM 918 CG2 VAL A 57 -2.974 -13.006 3.108 1.00 0.00 C ATOM 0 H VAL A 57 -5.895 -12.707 1.931 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.336 -12.236 0.473 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.161 -14.543 2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.790 -15.203 2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.617 -15.184 0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.521 -13.855 0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.495 -13.673 3.824 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.265 -12.239 2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.838 -12.533 3.574 1.00 0.00 H new ATOM 928 N GLU A 58 -4.364 -13.182 -1.524 1.00 0.00 N ATOM 929 CA GLU A 58 -4.836 -13.813 -2.744 1.00 0.00 C ATOM 930 C GLU A 58 -3.745 -14.709 -3.335 1.00 0.00 C ATOM 931 O GLU A 58 -2.810 -14.220 -3.967 1.00 0.00 O ATOM 932 CB GLU A 58 -5.295 -12.767 -3.761 1.00 0.00 C ATOM 933 CG GLU A 58 -6.820 -12.753 -3.883 1.00 0.00 C ATOM 934 CD GLU A 58 -7.305 -13.854 -4.828 1.00 0.00 C ATOM 935 OE1 GLU A 58 -7.186 -15.034 -4.434 1.00 0.00 O ATOM 936 OE2 GLU A 58 -7.784 -13.490 -5.924 1.00 0.00 O ATOM 0 H GLU A 58 -3.790 -12.351 -1.668 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.697 -14.435 -2.498 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.942 -11.781 -3.459 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.851 -12.980 -4.733 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.268 -12.890 -2.899 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.150 -11.782 -4.251 1.00 0.00 H new ATOM 943 N GLY A 59 -3.901 -16.005 -3.107 1.00 0.00 N ATOM 944 CA GLY A 59 -2.940 -16.974 -3.608 1.00 0.00 C ATOM 945 C GLY A 59 -1.688 -17.010 -2.730 1.00 0.00 C ATOM 946 O GLY A 59 -1.559 -17.871 -1.862 1.00 0.00 O ATOM 0 H GLY A 59 -4.678 -16.407 -2.582 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.397 -17.963 -3.636 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.663 -16.721 -4.632 1.00 0.00 H new ATOM 950 N GLY A 60 -0.797 -16.063 -2.987 1.00 0.00 N ATOM 951 CA GLY A 60 0.441 -15.976 -2.230 1.00 0.00 C ATOM 952 C GLY A 60 0.872 -14.519 -2.052 1.00 0.00 C ATOM 953 O GLY A 60 2.013 -14.247 -1.679 1.00 0.00 O ATOM 0 H GLY A 60 -0.908 -15.350 -3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.308 -16.442 -1.254 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.226 -16.531 -2.744 1.00 0.00 H new ATOM 957 N LYS A 61 -0.062 -13.621 -2.327 1.00 0.00 N ATOM 958 CA LYS A 61 0.208 -12.198 -2.201 1.00 0.00 C ATOM 959 C LYS A 61 -0.895 -11.546 -1.365 1.00 0.00 C ATOM 960 O LYS A 61 -1.975 -12.113 -1.205 1.00 0.00 O ATOM 961 CB LYS A 61 0.390 -11.564 -3.582 1.00 0.00 C ATOM 962 CG LYS A 61 1.518 -12.248 -4.356 1.00 0.00 C ATOM 963 CD LYS A 61 1.351 -12.045 -5.863 1.00 0.00 C ATOM 964 CE LYS A 61 1.195 -13.386 -6.583 1.00 0.00 C ATOM 965 NZ LYS A 61 1.332 -13.208 -8.046 1.00 0.00 N ATOM 0 H LYS A 61 -1.006 -13.850 -2.637 1.00 0.00 H new ATOM 0 HA LYS A 61 1.147 -12.033 -1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.540 -11.639 -4.146 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.611 -10.502 -3.472 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.479 -11.846 -4.036 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.526 -13.314 -4.128 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.478 -11.421 -6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.216 -11.513 -6.260 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.948 -14.088 -6.224 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.221 -13.818 -6.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.223 -14.128 -8.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.598 -12.555 -8.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.271 -12.816 -8.262 1.00 0.00 H new ATOM 979 N VAL A 62 -0.585 -10.364 -0.854 1.00 0.00 N ATOM 980 CA VAL A 62 -1.536 -9.629 -0.038 1.00 0.00 C ATOM 981 C VAL A 62 -2.243 -8.584 -0.903 1.00 0.00 C ATOM 982 O VAL A 62 -1.592 -7.772 -1.559 1.00 0.00 O ATOM 983 CB VAL A 62 -0.826 -9.020 1.173 1.00 0.00 C ATOM 984 CG1 VAL A 62 0.351 -9.892 1.614 1.00 0.00 C ATOM 985 CG2 VAL A 62 -0.369 -7.590 0.879 1.00 0.00 C ATOM 0 H VAL A 62 0.312 -9.897 -0.989 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.301 -10.299 0.353 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.540 -8.981 1.995 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.838 -9.437 2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.012 -10.884 1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.067 -9.978 0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.132 -7.181 1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.321 -7.595 0.035 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.235 -6.974 0.636 1.00 0.00 H new ATOM 995 N ARG A 63 -3.567 -8.639 -0.877 1.00 0.00 N ATOM 996 CA ARG A 63 -4.370 -7.708 -1.652 1.00 0.00 C ATOM 997 C ARG A 63 -4.795 -6.523 -0.782 1.00 0.00 C ATOM 998 O ARG A 63 -5.172 -6.702 0.375 1.00 0.00 O ATOM 999 CB ARG A 63 -5.617 -8.392 -2.215 1.00 0.00 C ATOM 1000 CG ARG A 63 -5.288 -9.166 -3.493 1.00 0.00 C ATOM 1001 CD ARG A 63 -5.145 -8.219 -4.686 1.00 0.00 C ATOM 1002 NE ARG A 63 -5.556 -8.907 -5.930 1.00 0.00 N ATOM 1003 CZ ARG A 63 -4.871 -9.911 -6.495 1.00 0.00 C ATOM 1004 NH1 ARG A 63 -3.738 -10.349 -5.931 1.00 0.00 N ATOM 1005 NH2 ARG A 63 -5.320 -10.476 -7.624 1.00 0.00 N ATOM 0 H ARG A 63 -4.103 -9.314 -0.332 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.759 -7.354 -2.482 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.031 -9.072 -1.470 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.382 -7.645 -2.425 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -4.363 -9.726 -3.355 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.074 -9.894 -3.694 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.758 -7.331 -4.532 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.112 -7.882 -4.771 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.414 -8.598 -6.386 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.397 -9.919 -5.072 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.217 -11.113 -6.361 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.183 -10.142 -8.053 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.799 -11.240 -8.054 1.00 0.00 H new ATOM 1019 N LEU A 64 -4.720 -5.339 -1.372 1.00 0.00 N ATOM 1020 CA LEU A 64 -5.092 -4.125 -0.666 1.00 0.00 C ATOM 1021 C LEU A 64 -6.209 -3.416 -1.434 1.00 0.00 C ATOM 1022 O LEU A 64 -6.229 -3.432 -2.664 1.00 0.00 O ATOM 1023 CB LEU A 64 -3.862 -3.250 -0.420 1.00 0.00 C ATOM 1024 CG LEU A 64 -3.003 -3.623 0.789 1.00 0.00 C ATOM 1025 CD1 LEU A 64 -1.605 -3.013 0.679 1.00 0.00 C ATOM 1026 CD2 LEU A 64 -3.697 -3.232 2.096 1.00 0.00 C ATOM 0 H LEU A 64 -4.407 -5.195 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.486 -4.364 0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.234 -3.282 -1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.193 -2.218 -0.301 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.881 -4.706 0.799 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.016 -3.294 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.117 -3.382 -0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.685 -1.927 0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.065 -3.508 2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.869 -2.156 2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.651 -3.753 2.171 1.00 0.00 H new ATOM 1038 N TYR A 65 -7.112 -2.810 -0.677 1.00 0.00 N ATOM 1039 CA TYR A 65 -8.229 -2.095 -1.271 1.00 0.00 C ATOM 1040 C TYR A 65 -8.641 -0.904 -0.404 1.00 0.00 C ATOM 1041 O TYR A 65 -8.931 -1.064 0.781 1.00 0.00 O ATOM 1042 CB TYR A 65 -9.386 -3.095 -1.327 1.00 0.00 C ATOM 1043 CG TYR A 65 -9.057 -4.386 -2.078 1.00 0.00 C ATOM 1044 CD1 TYR A 65 -8.804 -4.350 -3.434 1.00 0.00 C ATOM 1045 CD2 TYR A 65 -9.014 -5.587 -1.400 1.00 0.00 C ATOM 1046 CE1 TYR A 65 -8.495 -5.566 -4.142 1.00 0.00 C ATOM 1047 CE2 TYR A 65 -8.704 -6.803 -2.107 1.00 0.00 C ATOM 1048 CZ TYR A 65 -8.460 -6.732 -3.443 1.00 0.00 C ATOM 1049 OH TYR A 65 -8.168 -7.880 -4.111 1.00 0.00 O ATOM 0 H TYR A 65 -7.093 -2.799 0.343 1.00 0.00 H new ATOM 0 HA TYR A 65 -7.960 -1.711 -2.255 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.686 -3.345 -0.309 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.242 -2.618 -1.804 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -8.838 -3.410 -3.965 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -9.213 -5.615 -0.339 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.296 -5.552 -5.203 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.666 -7.749 -1.588 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.177 -8.634 -3.485 1.00 0.00 H new ATOM 1059 N PHE A 66 -8.655 0.265 -1.028 1.00 0.00 N ATOM 1060 CA PHE A 66 -9.027 1.483 -0.329 1.00 0.00 C ATOM 1061 C PHE A 66 -10.171 2.200 -1.047 1.00 0.00 C ATOM 1062 O PHE A 66 -10.199 2.257 -2.276 1.00 0.00 O ATOM 1063 CB PHE A 66 -7.795 2.390 -0.325 1.00 0.00 C ATOM 1064 CG PHE A 66 -6.542 1.737 0.263 1.00 0.00 C ATOM 1065 CD1 PHE A 66 -6.306 1.803 1.601 1.00 0.00 C ATOM 1066 CD2 PHE A 66 -5.666 1.091 -0.552 1.00 0.00 C ATOM 1067 CE1 PHE A 66 -5.143 1.196 2.146 1.00 0.00 C ATOM 1068 CE2 PHE A 66 -4.504 0.485 -0.006 1.00 0.00 C ATOM 1069 CZ PHE A 66 -4.267 0.550 1.331 1.00 0.00 C ATOM 0 H PHE A 66 -8.414 0.394 -2.011 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.361 1.245 0.681 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -7.583 2.702 -1.348 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -8.023 3.292 0.243 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.002 2.316 2.248 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.854 1.039 -1.614 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.955 1.248 3.208 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.808 -0.028 -0.653 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.383 0.089 1.746 1.00 0.00 H new ATOM 1079 N HIS A 67 -11.089 2.728 -0.251 1.00 0.00 N ATOM 1080 CA HIS A 67 -12.233 3.439 -0.795 1.00 0.00 C ATOM 1081 C HIS A 67 -12.282 4.854 -0.214 1.00 0.00 C ATOM 1082 O HIS A 67 -12.403 5.028 0.997 1.00 0.00 O ATOM 1083 CB HIS A 67 -13.524 2.655 -0.555 1.00 0.00 C ATOM 1084 CG HIS A 67 -14.782 3.438 -0.846 1.00 0.00 C ATOM 1085 ND1 HIS A 67 -15.088 4.628 -0.209 1.00 0.00 N ATOM 1086 CD2 HIS A 67 -15.806 3.190 -1.712 1.00 0.00 C ATOM 1087 CE1 HIS A 67 -16.247 5.067 -0.678 1.00 0.00 C ATOM 1088 NE2 HIS A 67 -16.691 4.174 -1.609 1.00 0.00 N ATOM 0 H HIS A 67 -11.064 2.677 0.767 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.128 3.531 -1.876 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -13.514 1.760 -1.176 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.547 2.322 0.483 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -15.884 2.337 -2.370 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -16.752 5.973 -0.376 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -17.560 4.250 -2.138 1.00 0.00 H new ATOM 1096 N VAL A 68 -12.186 5.829 -1.106 1.00 0.00 N ATOM 1097 CA VAL A 68 -12.217 7.223 -0.698 1.00 0.00 C ATOM 1098 C VAL A 68 -13.209 7.986 -1.579 1.00 0.00 C ATOM 1099 O VAL A 68 -12.994 8.128 -2.782 1.00 0.00 O ATOM 1100 CB VAL A 68 -10.806 7.812 -0.738 1.00 0.00 C ATOM 1101 CG1 VAL A 68 -10.707 9.057 0.146 1.00 0.00 C ATOM 1102 CG2 VAL A 68 -9.764 6.768 -0.333 1.00 0.00 C ATOM 0 H VAL A 68 -12.087 5.681 -2.110 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.562 7.312 0.332 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.597 8.112 -1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.694 9.456 0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.411 9.811 -0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.946 8.792 1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.770 7.213 -0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.970 6.423 0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.809 5.923 -1.020 1.00 0.00 H new ATOM 1112 N PRO A 69 -14.302 8.469 -0.929 1.00 0.00 N ATOM 1113 CA PRO A 69 -15.327 9.213 -1.641 1.00 0.00 C ATOM 1114 C PRO A 69 -14.850 10.630 -1.964 1.00 0.00 C ATOM 1115 O PRO A 69 -14.728 10.997 -3.132 1.00 0.00 O ATOM 1116 CB PRO A 69 -16.538 9.189 -0.723 1.00 0.00 C ATOM 1117 CG PRO A 69 -16.009 8.837 0.657 1.00 0.00 C ATOM 1118 CD PRO A 69 -14.589 8.319 0.494 1.00 0.00 C ATOM 0 HA PRO A 69 -15.569 8.776 -2.610 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -17.040 10.157 -0.714 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -17.269 8.454 -1.060 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -16.024 9.712 1.306 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -16.639 8.082 1.126 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -13.887 8.890 1.102 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -14.509 7.278 0.807 1.00 0.00 H new ATOM 1126 N ASP A 70 -14.592 11.389 -0.909 1.00 0.00 N ATOM 1127 CA ASP A 70 -14.131 12.758 -1.067 1.00 0.00 C ATOM 1128 C ASP A 70 -12.945 12.785 -2.032 1.00 0.00 C ATOM 1129 O ASP A 70 -12.664 13.811 -2.649 1.00 0.00 O ATOM 1130 CB ASP A 70 -13.666 13.340 0.270 1.00 0.00 C ATOM 1131 CG ASP A 70 -14.358 14.639 0.686 1.00 0.00 C ATOM 1132 OD1 ASP A 70 -13.905 15.702 0.207 1.00 0.00 O ATOM 1133 OD2 ASP A 70 -15.324 14.541 1.472 1.00 0.00 O ATOM 0 H ASP A 70 -14.693 11.082 0.058 1.00 0.00 H new ATOM 0 HA ASP A 70 -14.962 13.351 -1.450 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -13.827 12.595 1.049 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -12.592 13.519 0.217 1.00 0.00 H new ATOM 1138 N GLU A 71 -12.280 11.643 -2.133 1.00 0.00 N ATOM 1139 CA GLU A 71 -11.130 11.522 -3.014 1.00 0.00 C ATOM 1140 C GLU A 71 -9.974 12.382 -2.498 1.00 0.00 C ATOM 1141 O GLU A 71 -9.312 13.069 -3.274 1.00 0.00 O ATOM 1142 CB GLU A 71 -11.497 11.902 -4.450 1.00 0.00 C ATOM 1143 CG GLU A 71 -11.893 10.665 -5.259 1.00 0.00 C ATOM 1144 CD GLU A 71 -12.035 11.004 -6.745 1.00 0.00 C ATOM 1145 OE1 GLU A 71 -13.137 11.458 -7.120 1.00 0.00 O ATOM 1146 OE2 GLU A 71 -11.038 10.802 -7.471 1.00 0.00 O ATOM 0 H GLU A 71 -12.515 10.794 -1.620 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.809 10.480 -3.019 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.321 12.615 -4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.651 12.398 -4.927 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.142 9.886 -5.130 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.834 10.265 -4.882 1.00 0.00 H new ATOM 1153 N ALA A 72 -9.767 12.316 -1.191 1.00 0.00 N ATOM 1154 CA ALA A 72 -8.703 13.080 -0.562 1.00 0.00 C ATOM 1155 C ALA A 72 -7.349 12.550 -1.042 1.00 0.00 C ATOM 1156 O ALA A 72 -7.014 11.391 -0.807 1.00 0.00 O ATOM 1157 CB ALA A 72 -8.851 13.007 0.959 1.00 0.00 C ATOM 0 H ALA A 72 -10.318 11.745 -0.550 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.766 14.131 -0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.053 13.580 1.430 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.816 13.421 1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.790 11.967 1.281 1.00 0.00 H new ATOM 1163 N PRO A 73 -6.589 13.449 -1.723 1.00 0.00 N ATOM 1164 CA PRO A 73 -5.280 13.085 -2.237 1.00 0.00 C ATOM 1165 C PRO A 73 -4.248 13.014 -1.110 1.00 0.00 C ATOM 1166 O PRO A 73 -3.104 12.622 -1.335 1.00 0.00 O ATOM 1167 CB PRO A 73 -4.955 14.148 -3.274 1.00 0.00 C ATOM 1168 CG PRO A 73 -5.876 15.319 -2.973 1.00 0.00 C ATOM 1169 CD PRO A 73 -6.955 14.831 -2.020 1.00 0.00 C ATOM 0 HA PRO A 73 -5.266 12.092 -2.686 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.909 14.448 -3.211 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.119 13.772 -4.284 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.316 16.140 -2.527 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.322 15.700 -3.892 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.986 15.436 -1.114 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.943 14.890 -2.477 1.00 0.00 H new ATOM 1177 N THR A 74 -4.690 13.400 0.078 1.00 0.00 N ATOM 1178 CA THR A 74 -3.819 13.385 1.241 1.00 0.00 C ATOM 1179 C THR A 74 -3.932 12.047 1.975 1.00 0.00 C ATOM 1180 O THR A 74 -2.949 11.550 2.522 1.00 0.00 O ATOM 1181 CB THR A 74 -4.175 14.589 2.114 1.00 0.00 C ATOM 1182 OG1 THR A 74 -5.595 14.530 2.225 1.00 0.00 O ATOM 1183 CG2 THR A 74 -3.912 15.922 1.410 1.00 0.00 C ATOM 0 H THR A 74 -5.640 13.725 0.260 1.00 0.00 H new ATOM 0 HA THR A 74 -2.772 13.474 0.952 1.00 0.00 H new ATOM 0 HB THR A 74 -3.601 14.548 3.040 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.911 15.275 2.778 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.182 16.743 2.074 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.855 15.995 1.153 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.511 15.978 0.501 1.00 0.00 H new ATOM 1191 N VAL A 75 -5.139 11.502 1.963 1.00 0.00 N ATOM 1192 CA VAL A 75 -5.394 10.232 2.621 1.00 0.00 C ATOM 1193 C VAL A 75 -5.215 9.095 1.612 1.00 0.00 C ATOM 1194 O VAL A 75 -4.585 8.084 1.917 1.00 0.00 O ATOM 1195 CB VAL A 75 -6.781 10.246 3.266 1.00 0.00 C ATOM 1196 CG1 VAL A 75 -7.342 8.828 3.390 1.00 0.00 C ATOM 1197 CG2 VAL A 75 -6.745 10.942 4.628 1.00 0.00 C ATOM 0 H VAL A 75 -5.952 11.917 1.508 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.678 10.068 3.426 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.447 10.814 2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.329 8.866 3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.422 8.380 2.399 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.676 8.226 4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.744 10.938 5.065 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.058 10.413 5.289 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.408 11.971 4.502 1.00 0.00 H new ATOM 1207 N LYS A 76 -5.781 9.300 0.432 1.00 0.00 N ATOM 1208 CA LYS A 76 -5.692 8.305 -0.623 1.00 0.00 C ATOM 1209 C LYS A 76 -4.224 8.104 -1.006 1.00 0.00 C ATOM 1210 O LYS A 76 -3.779 6.974 -1.200 1.00 0.00 O ATOM 1211 CB LYS A 76 -6.587 8.692 -1.802 1.00 0.00 C ATOM 1212 CG LYS A 76 -7.198 7.452 -2.457 1.00 0.00 C ATOM 1213 CD LYS A 76 -8.128 7.842 -3.608 1.00 0.00 C ATOM 1214 CE LYS A 76 -8.223 6.717 -4.640 1.00 0.00 C ATOM 1215 NZ LYS A 76 -9.489 6.816 -5.400 1.00 0.00 N ATOM 0 H LYS A 76 -6.303 10.140 0.183 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.065 7.343 -0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.381 9.355 -1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.005 9.247 -2.538 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.404 6.805 -2.830 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.753 6.880 -1.714 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.121 8.068 -3.218 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.760 8.749 -4.087 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.376 6.771 -5.324 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.167 5.750 -4.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.537 6.045 -6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.294 6.742 -4.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.527 7.731 -5.893 1.00 0.00 H new ATOM 1229 N ALA A 77 -3.513 9.217 -1.102 1.00 0.00 N ATOM 1230 CA ALA A 77 -2.105 9.177 -1.458 1.00 0.00 C ATOM 1231 C ALA A 77 -1.445 7.977 -0.777 1.00 0.00 C ATOM 1232 O ALA A 77 -1.045 7.023 -1.443 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.443 10.502 -1.073 1.00 0.00 C ATOM 0 H ALA A 77 -3.885 10.153 -0.939 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.985 9.053 -2.534 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.387 10.472 -1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.929 11.320 -1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.541 10.659 0.001 1.00 0.00 H new ATOM 1239 N PHE A 78 -1.351 8.062 0.542 1.00 0.00 N ATOM 1240 CA PHE A 78 -0.747 6.994 1.320 1.00 0.00 C ATOM 1241 C PHE A 78 -1.258 5.626 0.864 1.00 0.00 C ATOM 1242 O PHE A 78 -0.469 4.719 0.607 1.00 0.00 O ATOM 1243 CB PHE A 78 -1.154 7.218 2.778 1.00 0.00 C ATOM 1244 CG PHE A 78 -0.125 6.719 3.795 1.00 0.00 C ATOM 1245 CD1 PHE A 78 1.185 7.056 3.658 1.00 0.00 C ATOM 1246 CD2 PHE A 78 -0.522 5.939 4.836 1.00 0.00 C ATOM 1247 CE1 PHE A 78 2.140 6.593 4.601 1.00 0.00 C ATOM 1248 CE2 PHE A 78 0.433 5.476 5.780 1.00 0.00 C ATOM 1249 CZ PHE A 78 1.743 5.813 5.643 1.00 0.00 C ATOM 0 H PHE A 78 -1.683 8.854 1.092 1.00 0.00 H new ATOM 0 HA PHE A 78 0.335 7.008 1.193 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.321 8.283 2.938 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.104 6.715 2.961 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.499 7.676 2.832 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.563 5.672 4.945 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.181 6.860 4.491 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.118 4.856 6.607 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.469 5.462 6.361 1.00 0.00 H new ATOM 1259 N ALA A 79 -2.576 5.522 0.778 1.00 0.00 N ATOM 1260 CA ALA A 79 -3.202 4.280 0.357 1.00 0.00 C ATOM 1261 C ALA A 79 -2.486 3.748 -0.885 1.00 0.00 C ATOM 1262 O ALA A 79 -2.124 2.573 -0.942 1.00 0.00 O ATOM 1263 CB ALA A 79 -4.694 4.517 0.113 1.00 0.00 C ATOM 0 H ALA A 79 -3.227 6.277 0.993 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.115 3.523 1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.164 3.585 -0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.162 4.866 1.033 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.820 5.269 -0.666 1.00 0.00 H new ATOM 1269 N GLY A 80 -2.302 4.637 -1.850 1.00 0.00 N ATOM 1270 CA GLY A 80 -1.635 4.272 -3.088 1.00 0.00 C ATOM 1271 C GLY A 80 -0.190 3.842 -2.826 1.00 0.00 C ATOM 1272 O GLY A 80 0.356 3.013 -3.553 1.00 0.00 O ATOM 0 H GLY A 80 -2.604 5.610 -1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.178 3.460 -3.572 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.648 5.118 -3.775 1.00 0.00 H new ATOM 1276 N LEU A 81 0.388 4.425 -1.786 1.00 0.00 N ATOM 1277 CA LEU A 81 1.758 4.112 -1.420 1.00 0.00 C ATOM 1278 C LEU A 81 1.815 2.701 -0.831 1.00 0.00 C ATOM 1279 O LEU A 81 2.679 1.906 -1.198 1.00 0.00 O ATOM 1280 CB LEU A 81 2.323 5.189 -0.491 1.00 0.00 C ATOM 1281 CG LEU A 81 3.479 4.756 0.413 1.00 0.00 C ATOM 1282 CD1 LEU A 81 4.807 4.778 -0.346 1.00 0.00 C ATOM 1283 CD2 LEU A 81 3.531 5.608 1.683 1.00 0.00 C ATOM 0 H LEU A 81 -0.068 5.112 -1.186 1.00 0.00 H new ATOM 0 HA LEU A 81 2.398 4.115 -2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.660 6.027 -1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.514 5.558 0.139 1.00 0.00 H new ATOM 0 HG LEU A 81 3.302 3.726 0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.612 4.466 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.753 4.096 -1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.004 5.788 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.362 5.279 2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.672 6.655 1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.597 5.498 2.234 1.00 0.00 H new ATOM 1295 N LEU A 82 0.884 2.433 0.073 1.00 0.00 N ATOM 1296 CA LEU A 82 0.818 1.132 0.716 1.00 0.00 C ATOM 1297 C LEU A 82 0.642 0.049 -0.351 1.00 0.00 C ATOM 1298 O LEU A 82 1.188 -1.046 -0.224 1.00 0.00 O ATOM 1299 CB LEU A 82 -0.272 1.120 1.790 1.00 0.00 C ATOM 1300 CG LEU A 82 -0.250 2.285 2.781 1.00 0.00 C ATOM 1301 CD1 LEU A 82 -1.667 2.657 3.223 1.00 0.00 C ATOM 1302 CD2 LEU A 82 0.659 1.974 3.972 1.00 0.00 C ATOM 0 H LEU A 82 0.169 3.095 0.375 1.00 0.00 H new ATOM 0 HA LEU A 82 1.750 0.917 1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.243 1.109 1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.190 0.189 2.352 1.00 0.00 H new ATOM 0 HG LEU A 82 0.168 3.156 2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.622 3.488 3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.254 2.950 2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.135 1.798 3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.657 2.818 4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.294 1.085 4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.675 1.797 3.618 1.00 0.00 H new ATOM 1314 N ARG A 83 -0.122 0.393 -1.377 1.00 0.00 N ATOM 1315 CA ARG A 83 -0.376 -0.536 -2.465 1.00 0.00 C ATOM 1316 C ARG A 83 0.819 -0.575 -3.420 1.00 0.00 C ATOM 1317 O ARG A 83 0.929 -1.480 -4.245 1.00 0.00 O ATOM 1318 CB ARG A 83 -1.631 -0.139 -3.246 1.00 0.00 C ATOM 1319 CG ARG A 83 -1.588 -0.693 -4.671 1.00 0.00 C ATOM 1320 CD ARG A 83 -2.792 -0.212 -5.483 1.00 0.00 C ATOM 1321 NE ARG A 83 -3.588 -1.371 -5.943 1.00 0.00 N ATOM 1322 CZ ARG A 83 -3.329 -2.066 -7.059 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -2.293 -1.723 -7.836 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -4.106 -3.104 -7.398 1.00 0.00 N ATOM 0 H ARG A 83 -0.573 1.302 -1.478 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.529 -1.523 -2.029 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.517 -0.514 -2.733 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.716 0.947 -3.277 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.666 -0.378 -5.160 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.577 -1.783 -4.641 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.412 0.447 -4.874 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.454 0.370 -6.340 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.384 -1.659 -5.375 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.702 -0.933 -7.578 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.096 -2.252 -8.686 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.895 -3.365 -6.806 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.909 -3.633 -8.248 1.00 0.00 H new ATOM 1338 N GLU A 84 1.684 0.419 -3.276 1.00 0.00 N ATOM 1339 CA GLU A 84 2.866 0.509 -4.116 1.00 0.00 C ATOM 1340 C GLU A 84 4.070 -0.115 -3.406 1.00 0.00 C ATOM 1341 O GLU A 84 5.171 -0.143 -3.953 1.00 0.00 O ATOM 1342 CB GLU A 84 3.152 1.960 -4.506 1.00 0.00 C ATOM 1343 CG GLU A 84 2.721 2.235 -5.948 1.00 0.00 C ATOM 1344 CD GLU A 84 3.350 1.226 -6.910 1.00 0.00 C ATOM 1345 OE1 GLU A 84 4.594 1.108 -6.875 1.00 0.00 O ATOM 1346 OE2 GLU A 84 2.573 0.595 -7.659 1.00 0.00 O ATOM 0 H GLU A 84 1.590 1.168 -2.590 1.00 0.00 H new ATOM 0 HA GLU A 84 2.680 -0.049 -5.033 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.624 2.633 -3.830 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.216 2.167 -4.395 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.635 2.185 -6.022 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.014 3.246 -6.232 1.00 0.00 H new ATOM 1353 N GLY A 85 3.818 -0.600 -2.199 1.00 0.00 N ATOM 1354 CA GLY A 85 4.867 -1.222 -1.409 1.00 0.00 C ATOM 1355 C GLY A 85 4.390 -2.545 -0.808 1.00 0.00 C ATOM 1356 O GLY A 85 5.157 -3.503 -0.719 1.00 0.00 O ATOM 0 H GLY A 85 2.903 -0.575 -1.749 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.742 -1.397 -2.034 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.175 -0.546 -0.611 1.00 0.00 H new ATOM 1360 N LEU A 86 3.126 -2.556 -0.411 1.00 0.00 N ATOM 1361 CA LEU A 86 2.537 -3.747 0.179 1.00 0.00 C ATOM 1362 C LEU A 86 1.778 -4.522 -0.899 1.00 0.00 C ATOM 1363 O LEU A 86 2.209 -5.596 -1.316 1.00 0.00 O ATOM 1364 CB LEU A 86 1.679 -3.376 1.390 1.00 0.00 C ATOM 1365 CG LEU A 86 2.397 -2.637 2.520 1.00 0.00 C ATOM 1366 CD1 LEU A 86 3.151 -3.615 3.423 1.00 0.00 C ATOM 1367 CD2 LEU A 86 3.315 -1.546 1.965 1.00 0.00 C ATOM 0 H LEU A 86 2.493 -1.760 -0.486 1.00 0.00 H new ATOM 0 HA LEU A 86 3.315 -4.409 0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.850 -2.757 1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.247 -4.290 1.798 1.00 0.00 H new ATOM 0 HG LEU A 86 1.646 -2.143 3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.653 -3.063 4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.447 -4.323 3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.891 -4.157 2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.813 -1.036 2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.062 -1.997 1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.724 -0.827 1.398 1.00 0.00 H new ATOM 1379 N GLU A 87 0.660 -3.948 -1.319 1.00 0.00 N ATOM 1380 CA GLU A 87 -0.164 -4.573 -2.341 1.00 0.00 C ATOM 1381 C GLU A 87 0.706 -5.391 -3.297 1.00 0.00 C ATOM 1382 O GLU A 87 1.532 -4.835 -4.019 1.00 0.00 O ATOM 1383 CB GLU A 87 -0.981 -3.526 -3.102 1.00 0.00 C ATOM 1384 CG GLU A 87 -1.757 -4.168 -4.253 1.00 0.00 C ATOM 1385 CD GLU A 87 -0.895 -4.257 -5.514 1.00 0.00 C ATOM 1386 OE1 GLU A 87 -0.072 -3.335 -5.705 1.00 0.00 O ATOM 1387 OE2 GLU A 87 -1.078 -5.244 -6.258 1.00 0.00 O ATOM 0 H GLU A 87 0.305 -3.057 -0.971 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.866 -5.249 -1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.675 -3.035 -2.420 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.317 -2.754 -3.492 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.086 -5.166 -3.962 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.654 -3.584 -4.462 1.00 0.00 H new ATOM 1394 N GLY A 88 0.490 -6.698 -3.272 1.00 0.00 N ATOM 1395 CA GLY A 88 1.244 -7.598 -4.127 1.00 0.00 C ATOM 1396 C GLY A 88 2.394 -8.251 -3.358 1.00 0.00 C ATOM 1397 O GLY A 88 3.150 -9.042 -3.919 1.00 0.00 O ATOM 0 H GLY A 88 -0.197 -7.155 -2.672 1.00 0.00 H new ATOM 0 HA2 GLY A 88 0.583 -8.369 -4.523 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.639 -7.048 -4.981 1.00 0.00 H new ATOM 1401 N GLU A 89 2.489 -7.896 -2.085 1.00 0.00 N ATOM 1402 CA GLU A 89 3.534 -8.438 -1.233 1.00 0.00 C ATOM 1403 C GLU A 89 3.004 -9.631 -0.437 1.00 0.00 C ATOM 1404 O GLU A 89 1.884 -10.086 -0.665 1.00 0.00 O ATOM 1405 CB GLU A 89 4.094 -7.362 -0.301 1.00 0.00 C ATOM 1406 CG GLU A 89 4.981 -6.379 -1.068 1.00 0.00 C ATOM 1407 CD GLU A 89 6.099 -7.113 -1.811 1.00 0.00 C ATOM 1408 OE1 GLU A 89 7.111 -7.424 -1.147 1.00 0.00 O ATOM 1409 OE2 GLU A 89 5.916 -7.346 -3.025 1.00 0.00 O ATOM 0 H GLU A 89 1.860 -7.240 -1.623 1.00 0.00 H new ATOM 0 HA GLU A 89 4.350 -8.784 -1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.273 -6.823 0.173 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.670 -7.831 0.497 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.376 -5.816 -1.779 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.413 -5.657 -0.375 1.00 0.00 H new ATOM 1416 N SER A 90 3.833 -10.105 0.481 1.00 0.00 N ATOM 1417 CA SER A 90 3.462 -11.237 1.313 1.00 0.00 C ATOM 1418 C SER A 90 2.820 -10.745 2.611 1.00 0.00 C ATOM 1419 O SER A 90 2.987 -9.586 2.990 1.00 0.00 O ATOM 1420 CB SER A 90 4.676 -12.116 1.621 1.00 0.00 C ATOM 1421 OG SER A 90 5.899 -11.391 1.522 1.00 0.00 O ATOM 0 H SER A 90 4.761 -9.725 0.667 1.00 0.00 H new ATOM 0 HA SER A 90 2.740 -11.842 0.765 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.579 -12.529 2.625 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.698 -12.959 0.931 1.00 0.00 H new ATOM 0 HG SER A 90 6.650 -11.986 1.727 1.00 0.00 H new ATOM 1427 N PRO A 91 2.080 -11.673 3.275 1.00 0.00 N ATOM 1428 CA PRO A 91 1.412 -11.345 4.523 1.00 0.00 C ATOM 1429 C PRO A 91 2.414 -11.268 5.677 1.00 0.00 C ATOM 1430 O PRO A 91 2.086 -10.778 6.756 1.00 0.00 O ATOM 1431 CB PRO A 91 0.372 -12.437 4.711 1.00 0.00 C ATOM 1432 CG PRO A 91 0.804 -13.584 3.812 1.00 0.00 C ATOM 1433 CD PRO A 91 1.860 -13.054 2.856 1.00 0.00 C ATOM 0 HA PRO A 91 0.939 -10.363 4.502 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.323 -12.754 5.753 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -0.622 -12.081 4.439 1.00 0.00 H new ATOM 0 HG2 PRO A 91 1.205 -14.405 4.407 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -0.049 -13.978 3.259 1.00 0.00 H new ATOM 0 HD2 PRO A 91 2.779 -13.638 2.918 1.00 0.00 H new ATOM 0 HD3 PRO A 91 1.519 -13.105 1.822 1.00 0.00 H new ATOM 1441 N GLU A 92 3.615 -11.759 5.409 1.00 0.00 N ATOM 1442 CA GLU A 92 4.666 -11.752 6.412 1.00 0.00 C ATOM 1443 C GLU A 92 5.543 -10.508 6.253 1.00 0.00 C ATOM 1444 O GLU A 92 6.018 -9.949 7.241 1.00 0.00 O ATOM 1445 CB GLU A 92 5.507 -13.028 6.335 1.00 0.00 C ATOM 1446 CG GLU A 92 4.614 -14.269 6.270 1.00 0.00 C ATOM 1447 CD GLU A 92 4.823 -15.159 7.497 1.00 0.00 C ATOM 1448 OE1 GLU A 92 4.939 -14.585 8.602 1.00 0.00 O ATOM 1449 OE2 GLU A 92 4.862 -16.393 7.303 1.00 0.00 O ATOM 0 H GLU A 92 3.883 -12.164 4.512 1.00 0.00 H new ATOM 0 HA GLU A 92 4.200 -11.722 7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.150 -12.992 5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.160 -13.091 7.205 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.569 -13.967 6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.835 -14.834 5.364 1.00 0.00 H new ATOM 1456 N ALA A 93 5.731 -10.111 5.003 1.00 0.00 N ATOM 1457 CA ALA A 93 6.542 -8.944 4.702 1.00 0.00 C ATOM 1458 C ALA A 93 5.772 -7.680 5.090 1.00 0.00 C ATOM 1459 O ALA A 93 6.372 -6.675 5.469 1.00 0.00 O ATOM 1460 CB ALA A 93 6.930 -8.959 3.223 1.00 0.00 C ATOM 0 H ALA A 93 5.335 -10.577 4.187 1.00 0.00 H new ATOM 0 HA ALA A 93 7.465 -8.959 5.281 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.538 -8.083 2.998 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.500 -9.862 3.005 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.029 -8.942 2.610 1.00 0.00 H new ATOM 1466 N VAL A 94 4.454 -7.771 4.981 1.00 0.00 N ATOM 1467 CA VAL A 94 3.596 -6.647 5.315 1.00 0.00 C ATOM 1468 C VAL A 94 3.660 -6.393 6.823 1.00 0.00 C ATOM 1469 O VAL A 94 3.977 -5.287 7.256 1.00 0.00 O ATOM 1470 CB VAL A 94 2.175 -6.906 4.812 1.00 0.00 C ATOM 1471 CG1 VAL A 94 1.177 -5.954 5.473 1.00 0.00 C ATOM 1472 CG2 VAL A 94 2.105 -6.801 3.287 1.00 0.00 C ATOM 0 H VAL A 94 3.960 -8.606 4.666 1.00 0.00 H new ATOM 0 HA VAL A 94 3.942 -5.741 4.818 1.00 0.00 H new ATOM 0 HB VAL A 94 1.902 -7.924 5.091 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.175 -6.160 5.098 1.00 0.00 H new ATOM 0 HG12 VAL A 94 1.197 -6.099 6.553 1.00 0.00 H new ATOM 0 HG13 VAL A 94 1.447 -4.924 5.240 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.084 -6.990 2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.408 -5.801 2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.773 -7.538 2.841 1.00 0.00 H new ATOM 1482 N LEU A 95 3.353 -7.436 7.580 1.00 0.00 N ATOM 1483 CA LEU A 95 3.371 -7.340 9.029 1.00 0.00 C ATOM 1484 C LEU A 95 4.702 -6.733 9.479 1.00 0.00 C ATOM 1485 O LEU A 95 4.748 -5.982 10.452 1.00 0.00 O ATOM 1486 CB LEU A 95 3.071 -8.701 9.661 1.00 0.00 C ATOM 1487 CG LEU A 95 1.609 -8.961 10.030 1.00 0.00 C ATOM 1488 CD1 LEU A 95 1.089 -7.892 10.992 1.00 0.00 C ATOM 1489 CD2 LEU A 95 0.739 -9.078 8.777 1.00 0.00 C ATOM 0 H LEU A 95 3.090 -8.352 7.217 1.00 0.00 H new ATOM 0 HA LEU A 95 2.582 -6.673 9.376 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.395 -9.480 8.970 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.676 -8.802 10.562 1.00 0.00 H new ATOM 0 HG LEU A 95 1.553 -9.917 10.550 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.048 -8.100 11.239 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.687 -7.901 11.904 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.162 -6.912 10.521 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.295 -9.263 9.068 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.795 -8.151 8.207 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.096 -9.904 8.162 1.00 0.00 H new ATOM 1501 N GLU A 96 5.751 -7.082 8.749 1.00 0.00 N ATOM 1502 CA GLU A 96 7.079 -6.581 9.061 1.00 0.00 C ATOM 1503 C GLU A 96 7.105 -5.054 8.973 1.00 0.00 C ATOM 1504 O GLU A 96 8.052 -4.418 9.432 1.00 0.00 O ATOM 1505 CB GLU A 96 8.130 -7.202 8.138 1.00 0.00 C ATOM 1506 CG GLU A 96 8.274 -8.702 8.402 1.00 0.00 C ATOM 1507 CD GLU A 96 9.589 -9.008 9.122 1.00 0.00 C ATOM 1508 OE1 GLU A 96 9.817 -8.379 10.179 1.00 0.00 O ATOM 1509 OE2 GLU A 96 10.336 -9.863 8.601 1.00 0.00 O ATOM 0 H GLU A 96 5.709 -7.705 7.943 1.00 0.00 H new ATOM 0 HA GLU A 96 7.324 -6.870 10.083 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.848 -7.038 7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.090 -6.709 8.290 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.435 -9.051 9.005 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.237 -9.246 7.458 1.00 0.00 H new ATOM 1516 N VAL A 97 6.053 -4.510 8.379 1.00 0.00 N ATOM 1517 CA VAL A 97 5.943 -3.069 8.224 1.00 0.00 C ATOM 1518 C VAL A 97 5.354 -2.467 9.502 1.00 0.00 C ATOM 1519 O VAL A 97 4.198 -2.721 9.837 1.00 0.00 O ATOM 1520 CB VAL A 97 5.124 -2.738 6.975 1.00 0.00 C ATOM 1521 CG1 VAL A 97 5.063 -1.226 6.745 1.00 0.00 C ATOM 1522 CG2 VAL A 97 5.684 -3.457 5.746 1.00 0.00 C ATOM 0 H VAL A 97 5.269 -5.041 7.999 1.00 0.00 H new ATOM 0 HA VAL A 97 6.927 -2.624 8.078 1.00 0.00 H new ATOM 0 HB VAL A 97 4.107 -3.094 7.137 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.475 -1.017 5.851 1.00 0.00 H new ATOM 0 HG12 VAL A 97 4.598 -0.746 7.606 1.00 0.00 H new ATOM 0 HG13 VAL A 97 6.073 -0.837 6.614 1.00 0.00 H new ATOM 0 HG21 VAL A 97 5.084 -3.205 4.872 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.715 -3.145 5.580 1.00 0.00 H new ATOM 0 HG23 VAL A 97 5.653 -4.534 5.909 1.00 0.00 H new ATOM 1532 N PRO A 98 6.197 -1.659 10.198 1.00 0.00 N ATOM 1533 CA PRO A 98 5.772 -1.018 11.431 1.00 0.00 C ATOM 1534 C PRO A 98 4.831 0.153 11.144 1.00 0.00 C ATOM 1535 O PRO A 98 4.618 0.514 9.988 1.00 0.00 O ATOM 1536 CB PRO A 98 7.060 -0.592 12.117 1.00 0.00 C ATOM 1537 CG PRO A 98 8.128 -0.590 11.035 1.00 0.00 C ATOM 1538 CD PRO A 98 7.573 -1.335 9.832 1.00 0.00 C ATOM 0 HA PRO A 98 5.195 -1.683 12.074 1.00 0.00 H new ATOM 0 HB2 PRO A 98 6.956 0.396 12.564 1.00 0.00 H new ATOM 0 HB3 PRO A 98 7.320 -1.280 12.921 1.00 0.00 H new ATOM 0 HG2 PRO A 98 8.394 0.431 10.762 1.00 0.00 H new ATOM 0 HG3 PRO A 98 9.038 -1.070 11.395 1.00 0.00 H new ATOM 0 HD2 PRO A 98 7.609 -0.719 8.934 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.150 -2.236 9.624 1.00 0.00 H new ATOM 1546 N PRO A 99 4.279 0.730 12.245 1.00 0.00 N ATOM 1547 CA PRO A 99 3.366 1.854 12.124 1.00 0.00 C ATOM 1548 C PRO A 99 4.122 3.140 11.786 1.00 0.00 C ATOM 1549 O PRO A 99 3.517 4.204 11.657 1.00 0.00 O ATOM 1550 CB PRO A 99 2.645 1.922 13.460 1.00 0.00 C ATOM 1551 CG PRO A 99 3.504 1.135 14.437 1.00 0.00 C ATOM 1552 CD PRO A 99 4.509 0.329 13.630 1.00 0.00 C ATOM 0 HA PRO A 99 2.653 1.731 11.309 1.00 0.00 H new ATOM 0 HB2 PRO A 99 2.527 2.955 13.788 1.00 0.00 H new ATOM 0 HB3 PRO A 99 1.645 1.494 13.387 1.00 0.00 H new ATOM 0 HG2 PRO A 99 4.018 1.809 15.122 1.00 0.00 H new ATOM 0 HG3 PRO A 99 2.884 0.475 15.044 1.00 0.00 H new ATOM 0 HD2 PRO A 99 5.531 0.546 13.940 1.00 0.00 H new ATOM 0 HD3 PRO A 99 4.356 -0.742 13.763 1.00 0.00 H new ATOM 1560 N GLY A 100 5.432 3.001 11.652 1.00 0.00 N ATOM 1561 CA GLY A 100 6.277 4.139 11.331 1.00 0.00 C ATOM 1562 C GLY A 100 7.271 3.789 10.222 1.00 0.00 C ATOM 1563 O GLY A 100 8.434 4.188 10.277 1.00 0.00 O ATOM 0 H GLY A 100 5.930 2.117 11.760 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.658 4.979 11.017 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.818 4.457 12.222 1.00 0.00 H new ATOM 1567 N PHE A 101 6.778 3.048 9.242 1.00 0.00 N ATOM 1568 CA PHE A 101 7.608 2.639 8.121 1.00 0.00 C ATOM 1569 C PHE A 101 7.859 3.811 7.169 1.00 0.00 C ATOM 1570 O PHE A 101 8.739 3.741 6.312 1.00 0.00 O ATOM 1571 CB PHE A 101 6.845 1.544 7.374 1.00 0.00 C ATOM 1572 CG PHE A 101 5.622 2.051 6.607 1.00 0.00 C ATOM 1573 CD1 PHE A 101 5.786 2.827 5.502 1.00 0.00 C ATOM 1574 CD2 PHE A 101 4.371 1.726 7.030 1.00 0.00 C ATOM 1575 CE1 PHE A 101 4.651 3.297 4.789 1.00 0.00 C ATOM 1576 CE2 PHE A 101 3.236 2.197 6.318 1.00 0.00 C ATOM 1577 CZ PHE A 101 3.400 2.972 5.213 1.00 0.00 C ATOM 0 H PHE A 101 5.813 2.719 9.200 1.00 0.00 H new ATOM 0 HA PHE A 101 8.574 2.286 8.483 1.00 0.00 H new ATOM 0 HB2 PHE A 101 7.523 1.055 6.674 1.00 0.00 H new ATOM 0 HB3 PHE A 101 6.524 0.786 8.089 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.779 3.086 5.167 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.241 1.110 7.907 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.781 3.912 3.911 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.243 1.940 6.654 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.537 3.330 4.672 1.00 0.00 H new ATOM 1587 N TYR A 102 7.069 4.859 7.351 1.00 0.00 N ATOM 1588 CA TYR A 102 7.194 6.043 6.519 1.00 0.00 C ATOM 1589 C TYR A 102 8.132 7.068 7.161 1.00 0.00 C ATOM 1590 O TYR A 102 8.664 7.942 6.478 1.00 0.00 O ATOM 1591 CB TYR A 102 5.790 6.643 6.425 1.00 0.00 C ATOM 1592 CG TYR A 102 5.179 7.012 7.778 1.00 0.00 C ATOM 1593 CD1 TYR A 102 5.455 8.239 8.348 1.00 0.00 C ATOM 1594 CD2 TYR A 102 4.352 6.119 8.429 1.00 0.00 C ATOM 1595 CE1 TYR A 102 4.880 8.586 9.622 1.00 0.00 C ATOM 1596 CE2 TYR A 102 3.777 6.467 9.702 1.00 0.00 C ATOM 1597 CZ TYR A 102 4.070 7.683 10.236 1.00 0.00 C ATOM 1598 OH TYR A 102 3.527 8.012 11.439 1.00 0.00 O ATOM 0 H TYR A 102 6.340 4.913 8.062 1.00 0.00 H new ATOM 0 HA TYR A 102 7.604 5.784 5.543 1.00 0.00 H new ATOM 0 HB2 TYR A 102 5.828 7.535 5.800 1.00 0.00 H new ATOM 0 HB3 TYR A 102 5.134 5.931 5.924 1.00 0.00 H new ATOM 0 HD1 TYR A 102 6.102 8.938 7.839 1.00 0.00 H new ATOM 0 HD2 TYR A 102 4.136 5.159 7.983 1.00 0.00 H new ATOM 0 HE1 TYR A 102 5.088 9.542 10.079 1.00 0.00 H new ATOM 0 HE2 TYR A 102 3.128 5.778 10.221 1.00 0.00 H new ATOM 0 HH TYR A 102 3.400 8.983 11.486 1.00 0.00 H new ATOM 1608 N ARG A 103 8.305 6.927 8.467 1.00 0.00 N ATOM 1609 CA ARG A 103 9.168 7.830 9.209 1.00 0.00 C ATOM 1610 C ARG A 103 10.498 8.016 8.475 1.00 0.00 C ATOM 1611 O ARG A 103 11.104 7.045 8.025 1.00 0.00 O ATOM 1612 CB ARG A 103 9.442 7.298 10.617 1.00 0.00 C ATOM 1613 CG ARG A 103 8.144 7.171 11.417 1.00 0.00 C ATOM 1614 CD ARG A 103 8.423 7.181 12.921 1.00 0.00 C ATOM 1615 NE ARG A 103 7.151 7.281 13.672 1.00 0.00 N ATOM 1616 CZ ARG A 103 7.061 7.685 14.946 1.00 0.00 C ATOM 1617 NH1 ARG A 103 8.167 8.030 15.620 1.00 0.00 N ATOM 1618 NH2 ARG A 103 5.864 7.745 15.547 1.00 0.00 N ATOM 0 H ARG A 103 7.862 6.201 9.030 1.00 0.00 H new ATOM 0 HA ARG A 103 8.655 8.788 9.288 1.00 0.00 H new ATOM 0 HB2 ARG A 103 9.931 6.326 10.554 1.00 0.00 H new ATOM 0 HB3 ARG A 103 10.129 7.967 11.135 1.00 0.00 H new ATOM 0 HG2 ARG A 103 7.474 7.992 11.162 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.634 6.247 11.144 1.00 0.00 H new ATOM 0 HD2 ARG A 103 8.953 6.272 13.207 1.00 0.00 H new ATOM 0 HD3 ARG A 103 9.071 8.021 13.173 1.00 0.00 H new ATOM 0 HE ARG A 103 6.289 7.026 13.189 1.00 0.00 H new ATOM 0 HH11 ARG A 103 9.078 7.985 15.163 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.098 8.338 16.590 1.00 0.00 H new ATOM 0 HH21 ARG A 103 5.022 7.483 15.034 1.00 0.00 H new ATOM 0 HH22 ARG A 103 5.795 8.053 16.517 1.00 0.00 H new ATOM 1632 N GLY A 104 10.912 9.271 8.377 1.00 0.00 N ATOM 1633 CA GLY A 104 12.158 9.597 7.705 1.00 0.00 C ATOM 1634 C GLY A 104 12.060 9.322 6.203 1.00 0.00 C ATOM 1635 O GLY A 104 12.589 8.326 5.714 1.00 0.00 O ATOM 0 H GLY A 104 10.407 10.074 8.752 1.00 0.00 H new ATOM 0 HA2 GLY A 104 12.401 10.647 7.871 1.00 0.00 H new ATOM 0 HA3 GLY A 104 12.971 9.010 8.133 1.00 0.00 H new ATOM 1639 N TYR A 105 11.378 10.225 5.512 1.00 0.00 N ATOM 1640 CA TYR A 105 11.203 10.093 4.076 1.00 0.00 C ATOM 1641 C TYR A 105 10.595 11.363 3.478 1.00 0.00 C ATOM 1642 O TYR A 105 11.118 11.909 2.508 1.00 0.00 O ATOM 1643 CB TYR A 105 10.227 8.932 3.875 1.00 0.00 C ATOM 1644 CG TYR A 105 10.905 7.570 3.710 1.00 0.00 C ATOM 1645 CD1 TYR A 105 12.017 7.447 2.902 1.00 0.00 C ATOM 1646 CD2 TYR A 105 10.405 6.466 4.369 1.00 0.00 C ATOM 1647 CE1 TYR A 105 12.655 6.165 2.746 1.00 0.00 C ATOM 1648 CE2 TYR A 105 11.043 5.184 4.213 1.00 0.00 C ATOM 1649 CZ TYR A 105 12.137 5.097 3.410 1.00 0.00 C ATOM 1650 OH TYR A 105 12.740 3.887 3.263 1.00 0.00 O ATOM 0 H TYR A 105 10.940 11.051 5.921 1.00 0.00 H new ATOM 0 HA TYR A 105 12.162 9.923 3.587 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.550 8.888 4.728 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.617 9.132 2.994 1.00 0.00 H new ATOM 0 HD1 TYR A 105 12.409 8.312 2.387 1.00 0.00 H new ATOM 0 HD2 TYR A 105 9.535 6.563 5.002 1.00 0.00 H new ATOM 0 HE1 TYR A 105 13.525 6.054 2.116 1.00 0.00 H new ATOM 0 HE2 TYR A 105 10.661 4.312 4.722 1.00 0.00 H new ATOM 0 HH TYR A 105 12.263 3.217 3.796 1.00 0.00 H new ATOM 1660 N GLY A 106 9.499 11.798 4.083 1.00 0.00 N ATOM 1661 CA GLY A 106 8.815 12.994 3.623 1.00 0.00 C ATOM 1662 C GLY A 106 7.383 13.047 4.159 1.00 0.00 C ATOM 1663 O GLY A 106 6.937 14.085 4.646 1.00 0.00 O ATOM 0 H GLY A 106 9.068 11.343 4.888 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.362 13.878 3.949 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.800 13.012 2.533 1.00 0.00 H new ATOM 1667 N LEU A 107 6.702 11.915 4.051 1.00 0.00 N ATOM 1668 CA LEU A 107 5.330 11.820 4.520 1.00 0.00 C ATOM 1669 C LEU A 107 5.185 12.605 5.825 1.00 0.00 C ATOM 1670 O LEU A 107 4.120 13.150 6.111 1.00 0.00 O ATOM 1671 CB LEU A 107 4.903 10.355 4.633 1.00 0.00 C ATOM 1672 CG LEU A 107 5.421 9.419 3.539 1.00 0.00 C ATOM 1673 CD1 LEU A 107 5.424 10.116 2.177 1.00 0.00 C ATOM 1674 CD2 LEU A 107 6.800 8.863 3.900 1.00 0.00 C ATOM 0 H LEU A 107 7.075 11.056 3.646 1.00 0.00 H new ATOM 0 HA LEU A 107 4.649 12.272 3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.237 9.973 5.598 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.814 10.314 4.633 1.00 0.00 H new ATOM 0 HG LEU A 107 4.740 8.571 3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.797 9.429 1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.409 10.422 1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.068 10.994 2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 107 7.145 8.201 3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 107 7.505 9.686 4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.734 8.305 4.834 1.00 0.00 H new ATOM 1686 N GLU A 108 6.272 12.638 6.582 1.00 0.00 N ATOM 1687 CA GLU A 108 6.279 13.347 7.850 1.00 0.00 C ATOM 1688 C GLU A 108 6.122 14.851 7.618 1.00 0.00 C ATOM 1689 O GLU A 108 5.226 15.479 8.180 1.00 0.00 O ATOM 1690 CB GLU A 108 7.554 13.045 8.640 1.00 0.00 C ATOM 1691 CG GLU A 108 7.272 13.009 10.143 1.00 0.00 C ATOM 1692 CD GLU A 108 8.189 13.976 10.896 1.00 0.00 C ATOM 1693 OE1 GLU A 108 9.342 14.136 10.440 1.00 0.00 O ATOM 1694 OE2 GLU A 108 7.716 14.532 11.911 1.00 0.00 O ATOM 0 H GLU A 108 7.154 12.185 6.341 1.00 0.00 H new ATOM 0 HA GLU A 108 5.433 13.000 8.443 1.00 0.00 H new ATOM 0 HB2 GLU A 108 7.966 12.088 8.321 1.00 0.00 H new ATOM 0 HB3 GLU A 108 8.307 13.803 8.426 1.00 0.00 H new ATOM 0 HG2 GLU A 108 6.230 13.272 10.328 1.00 0.00 H new ATOM 0 HG3 GLU A 108 7.417 11.997 10.520 1.00 0.00 H new ATOM 1701 N GLU A 109 7.006 15.385 6.788 1.00 0.00 N ATOM 1702 CA GLU A 109 6.976 16.804 6.475 1.00 0.00 C ATOM 1703 C GLU A 109 5.900 17.093 5.426 1.00 0.00 C ATOM 1704 O GLU A 109 5.568 18.251 5.175 1.00 0.00 O ATOM 1705 CB GLU A 109 8.348 17.289 6.002 1.00 0.00 C ATOM 1706 CG GLU A 109 8.630 16.827 4.571 1.00 0.00 C ATOM 1707 CD GLU A 109 8.581 18.003 3.594 1.00 0.00 C ATOM 1708 OE1 GLU A 109 7.588 18.759 3.665 1.00 0.00 O ATOM 1709 OE2 GLU A 109 9.538 18.121 2.799 1.00 0.00 O ATOM 0 H GLU A 109 7.747 14.861 6.323 1.00 0.00 H new ATOM 0 HA GLU A 109 6.726 17.352 7.383 1.00 0.00 H new ATOM 0 HB2 GLU A 109 8.390 18.377 6.051 1.00 0.00 H new ATOM 0 HB3 GLU A 109 9.122 16.910 6.669 1.00 0.00 H new ATOM 0 HG2 GLU A 109 9.610 16.352 4.525 1.00 0.00 H new ATOM 0 HG3 GLU A 109 7.898 16.075 4.277 1.00 0.00 H new ATOM 1716 N PHE A 110 5.386 16.021 4.842 1.00 0.00 N ATOM 1717 CA PHE A 110 4.354 16.146 3.826 1.00 0.00 C ATOM 1718 C PHE A 110 2.963 16.199 4.460 1.00 0.00 C ATOM 1719 O PHE A 110 2.276 17.216 4.375 1.00 0.00 O ATOM 1720 CB PHE A 110 4.449 14.904 2.937 1.00 0.00 C ATOM 1721 CG PHE A 110 4.918 15.194 1.510 1.00 0.00 C ATOM 1722 CD1 PHE A 110 4.172 15.990 0.698 1.00 0.00 C ATOM 1723 CD2 PHE A 110 6.081 14.656 1.054 1.00 0.00 C ATOM 1724 CE1 PHE A 110 4.607 16.259 -0.627 1.00 0.00 C ATOM 1725 CE2 PHE A 110 6.516 14.925 -0.271 1.00 0.00 C ATOM 1726 CZ PHE A 110 5.770 15.721 -1.083 1.00 0.00 C ATOM 0 H PHE A 110 5.664 15.062 5.052 1.00 0.00 H new ATOM 0 HA PHE A 110 4.500 17.065 3.259 1.00 0.00 H new ATOM 0 HB2 PHE A 110 5.135 14.193 3.396 1.00 0.00 H new ATOM 0 HB3 PHE A 110 3.472 14.423 2.897 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.249 16.418 1.061 1.00 0.00 H new ATOM 0 HD2 PHE A 110 6.674 14.024 1.699 1.00 0.00 H new ATOM 0 HE1 PHE A 110 4.014 16.891 -1.272 1.00 0.00 H new ATOM 0 HE2 PHE A 110 7.439 14.497 -0.634 1.00 0.00 H new ATOM 0 HZ PHE A 110 6.101 15.926 -2.090 1.00 0.00 H new ATOM 1736 N PHE A 111 2.589 15.091 5.084 1.00 0.00 N ATOM 1737 CA PHE A 111 1.292 14.999 5.732 1.00 0.00 C ATOM 1738 C PHE A 111 1.381 15.428 7.198 1.00 0.00 C ATOM 1739 O PHE A 111 2.242 14.953 7.937 1.00 0.00 O ATOM 1740 CB PHE A 111 0.863 13.531 5.668 1.00 0.00 C ATOM 1741 CG PHE A 111 0.907 12.931 4.261 1.00 0.00 C ATOM 1742 CD1 PHE A 111 -0.126 13.138 3.401 1.00 0.00 C ATOM 1743 CD2 PHE A 111 1.979 12.191 3.871 1.00 0.00 C ATOM 1744 CE1 PHE A 111 -0.085 12.582 2.096 1.00 0.00 C ATOM 1745 CE2 PHE A 111 2.020 11.634 2.565 1.00 0.00 C ATOM 1746 CZ PHE A 111 0.987 11.841 1.705 1.00 0.00 C ATOM 0 H PHE A 111 3.162 14.250 5.154 1.00 0.00 H new ATOM 0 HA PHE A 111 0.578 15.654 5.232 1.00 0.00 H new ATOM 0 HB2 PHE A 111 1.509 12.945 6.322 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -0.151 13.442 6.058 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.977 13.725 3.711 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.799 12.027 4.554 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -0.905 12.747 1.413 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.871 11.046 2.255 1.00 0.00 H new ATOM 0 HZ PHE A 111 1.018 11.417 0.712 1.00 0.00 H new ATOM 1756 N THR A 112 0.479 16.322 7.575 1.00 0.00 N ATOM 1757 CA THR A 112 0.444 16.821 8.940 1.00 0.00 C ATOM 1758 C THR A 112 0.731 15.689 9.929 1.00 0.00 C ATOM 1759 O THR A 112 0.571 14.515 9.598 1.00 0.00 O ATOM 1760 CB THR A 112 -0.912 17.494 9.163 1.00 0.00 C ATOM 1761 OG1 THR A 112 -1.859 16.514 8.747 1.00 0.00 O ATOM 1762 CG2 THR A 112 -1.147 18.667 8.209 1.00 0.00 C ATOM 0 H THR A 112 -0.233 16.714 6.959 1.00 0.00 H new ATOM 0 HA THR A 112 1.223 17.564 9.110 1.00 0.00 H new ATOM 0 HB THR A 112 -0.978 17.844 10.193 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.399 16.872 8.012 1.00 0.00 H new ATOM 0 HG21 THR A 112 -2.123 19.109 8.409 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.371 19.418 8.358 1.00 0.00 H new ATOM 0 HG23 THR A 112 -1.114 18.311 7.179 1.00 0.00 H new ATOM 1770 N PRO A 113 1.160 16.092 11.154 1.00 0.00 N ATOM 1771 CA PRO A 113 1.470 15.125 12.194 1.00 0.00 C ATOM 1772 C PRO A 113 0.192 14.538 12.796 1.00 0.00 C ATOM 1773 O PRO A 113 0.234 13.510 13.469 1.00 0.00 O ATOM 1774 CB PRO A 113 2.307 15.891 13.206 1.00 0.00 C ATOM 1775 CG PRO A 113 2.045 17.363 12.935 1.00 0.00 C ATOM 1776 CD PRO A 113 1.361 17.473 11.582 1.00 0.00 C ATOM 0 HA PRO A 113 2.018 14.262 11.816 1.00 0.00 H new ATOM 0 HB2 PRO A 113 2.027 15.626 14.225 1.00 0.00 H new ATOM 0 HB3 PRO A 113 3.366 15.656 13.095 1.00 0.00 H new ATOM 0 HG2 PRO A 113 1.416 17.789 13.717 1.00 0.00 H new ATOM 0 HG3 PRO A 113 2.980 17.924 12.937 1.00 0.00 H new ATOM 0 HD2 PRO A 113 0.413 18.005 11.660 1.00 0.00 H new ATOM 0 HD3 PRO A 113 1.977 18.022 10.870 1.00 0.00 H new ATOM 1784 N LEU A 114 -0.914 15.218 12.533 1.00 0.00 N ATOM 1785 CA LEU A 114 -2.203 14.777 13.040 1.00 0.00 C ATOM 1786 C LEU A 114 -2.850 13.833 12.025 1.00 0.00 C ATOM 1787 O LEU A 114 -3.168 12.690 12.351 1.00 0.00 O ATOM 1788 CB LEU A 114 -3.075 15.980 13.404 1.00 0.00 C ATOM 1789 CG LEU A 114 -3.754 15.926 14.775 1.00 0.00 C ATOM 1790 CD1 LEU A 114 -4.604 14.663 14.916 1.00 0.00 C ATOM 1791 CD2 LEU A 114 -2.726 16.054 15.901 1.00 0.00 C ATOM 0 H LEU A 114 -0.945 16.071 11.975 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.076 14.213 13.964 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.458 16.877 13.361 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.847 16.088 12.642 1.00 0.00 H new ATOM 0 HG LEU A 114 -4.428 16.778 14.856 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.075 14.649 15.899 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -5.374 14.655 14.144 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.970 13.783 14.805 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.234 16.013 16.864 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -2.009 15.236 15.834 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.201 17.005 15.808 1.00 0.00 H new ATOM 1803 N ARG A 115 -3.025 14.345 10.816 1.00 0.00 N ATOM 1804 CA ARG A 115 -3.628 13.561 9.752 1.00 0.00 C ATOM 1805 C ARG A 115 -2.825 12.281 9.515 1.00 0.00 C ATOM 1806 O ARG A 115 -3.332 11.326 8.928 1.00 0.00 O ATOM 1807 CB ARG A 115 -3.696 14.361 8.449 1.00 0.00 C ATOM 1808 CG ARG A 115 -4.825 13.852 7.551 1.00 0.00 C ATOM 1809 CD ARG A 115 -4.534 14.156 6.080 1.00 0.00 C ATOM 1810 NE ARG A 115 -5.724 14.766 5.445 1.00 0.00 N ATOM 1811 CZ ARG A 115 -6.093 16.043 5.612 1.00 0.00 C ATOM 1812 NH1 ARG A 115 -5.368 16.853 6.396 1.00 0.00 N ATOM 1813 NH2 ARG A 115 -7.188 16.510 4.996 1.00 0.00 N ATOM 0 H ARG A 115 -2.760 15.293 10.550 1.00 0.00 H new ATOM 0 HA ARG A 115 -4.641 13.306 10.062 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -3.853 15.416 8.674 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -2.745 14.285 7.922 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -4.946 12.777 7.687 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -5.766 14.319 7.843 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -3.683 14.832 6.001 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -4.262 13.239 5.557 1.00 0.00 H new ATOM 0 HE ARG A 115 -6.299 14.177 4.843 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -4.535 16.497 6.865 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -5.649 17.825 6.523 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -7.740 15.893 4.400 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -7.469 17.482 5.123 1.00 0.00 H new ATOM 1827 N LEU A 116 -1.586 12.303 9.982 1.00 0.00 N ATOM 1828 CA LEU A 116 -0.708 11.155 9.828 1.00 0.00 C ATOM 1829 C LEU A 116 -1.225 10.003 10.693 1.00 0.00 C ATOM 1830 O LEU A 116 -1.346 8.874 10.220 1.00 0.00 O ATOM 1831 CB LEU A 116 0.741 11.546 10.127 1.00 0.00 C ATOM 1832 CG LEU A 116 1.608 11.887 8.913 1.00 0.00 C ATOM 1833 CD1 LEU A 116 2.913 12.559 9.342 1.00 0.00 C ATOM 1834 CD2 LEU A 116 1.858 10.647 8.052 1.00 0.00 C ATOM 0 H LEU A 116 -1.169 13.097 10.467 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.714 10.806 8.795 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.734 12.406 10.796 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.214 10.726 10.667 1.00 0.00 H new ATOM 0 HG LEU A 116 1.065 12.603 8.296 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.510 12.791 8.460 1.00 0.00 H new ATOM 0 HD12 LEU A 116 2.688 13.480 9.880 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.472 11.886 9.992 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.477 10.917 7.196 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.370 9.889 8.645 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.906 10.250 7.701 1.00 0.00 H new ATOM 1846 N ARG A 117 -1.515 10.328 11.944 1.00 0.00 N ATOM 1847 CA ARG A 117 -2.016 9.335 12.878 1.00 0.00 C ATOM 1848 C ARG A 117 -2.997 8.393 12.177 1.00 0.00 C ATOM 1849 O ARG A 117 -2.954 7.181 12.382 1.00 0.00 O ATOM 1850 CB ARG A 117 -2.717 9.999 14.065 1.00 0.00 C ATOM 1851 CG ARG A 117 -1.707 10.415 15.136 1.00 0.00 C ATOM 1852 CD ARG A 117 -1.790 11.917 15.415 1.00 0.00 C ATOM 1853 NE ARG A 117 -1.082 12.238 16.674 1.00 0.00 N ATOM 1854 CZ ARG A 117 0.252 12.308 16.788 1.00 0.00 C ATOM 1855 NH1 ARG A 117 1.029 12.080 15.721 1.00 0.00 N ATOM 1856 NH2 ARG A 117 0.808 12.606 17.970 1.00 0.00 N ATOM 0 H ARG A 117 -1.412 11.266 12.333 1.00 0.00 H new ATOM 0 HA ARG A 117 -1.162 8.767 13.246 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -3.270 10.874 13.722 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -3.444 9.310 14.494 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -1.897 9.860 16.055 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -0.699 10.157 14.810 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -1.349 12.474 14.588 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -2.833 12.225 15.486 1.00 0.00 H new ATOM 0 HE ARG A 117 -1.643 12.417 17.507 1.00 0.00 H new ATOM 0 HH11 ARG A 117 0.606 11.853 14.821 1.00 0.00 H new ATOM 0 HH12 ARG A 117 2.044 12.133 15.808 1.00 0.00 H new ATOM 0 HH21 ARG A 117 0.216 12.779 18.783 1.00 0.00 H new ATOM 0 HH22 ARG A 117 1.823 12.659 18.057 1.00 0.00 H new ATOM 1870 N GLY A 118 -3.858 8.987 11.363 1.00 0.00 N ATOM 1871 CA GLY A 118 -4.848 8.216 10.630 1.00 0.00 C ATOM 1872 C GLY A 118 -4.176 7.248 9.653 1.00 0.00 C ATOM 1873 O GLY A 118 -4.503 6.063 9.626 1.00 0.00 O ATOM 0 H GLY A 118 -3.890 9.993 11.195 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -5.471 7.658 11.330 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -5.508 8.890 10.084 1.00 0.00 H new ATOM 1877 N LEU A 119 -3.250 7.790 8.876 1.00 0.00 N ATOM 1878 CA LEU A 119 -2.529 6.989 7.901 1.00 0.00 C ATOM 1879 C LEU A 119 -1.974 5.738 8.585 1.00 0.00 C ATOM 1880 O LEU A 119 -1.929 4.666 7.984 1.00 0.00 O ATOM 1881 CB LEU A 119 -1.462 7.832 7.199 1.00 0.00 C ATOM 1882 CG LEU A 119 -1.905 8.547 5.921 1.00 0.00 C ATOM 1883 CD1 LEU A 119 -3.355 9.023 6.034 1.00 0.00 C ATOM 1884 CD2 LEU A 119 -0.951 9.691 5.574 1.00 0.00 C ATOM 0 H LEU A 119 -2.982 8.774 8.902 1.00 0.00 H new ATOM 0 HA LEU A 119 -3.202 6.649 7.114 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -1.098 8.581 7.903 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -0.619 7.186 6.956 1.00 0.00 H new ATOM 0 HG LEU A 119 -1.864 7.833 5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -3.645 9.528 5.113 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -4.008 8.166 6.199 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -3.447 9.715 6.871 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -1.289 10.182 4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -0.936 10.413 6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 119 0.053 9.294 5.422 1.00 0.00 H new ATOM 1896 N GLU A 120 -1.565 5.917 9.832 1.00 0.00 N ATOM 1897 CA GLU A 120 -1.014 4.817 10.604 1.00 0.00 C ATOM 1898 C GLU A 120 -2.090 3.760 10.864 1.00 0.00 C ATOM 1899 O GLU A 120 -2.000 2.641 10.360 1.00 0.00 O ATOM 1900 CB GLU A 120 -0.409 5.317 11.918 1.00 0.00 C ATOM 1901 CG GLU A 120 0.950 5.977 11.679 1.00 0.00 C ATOM 1902 CD GLU A 120 0.931 7.444 12.113 1.00 0.00 C ATOM 1903 OE1 GLU A 120 1.067 7.676 13.334 1.00 0.00 O ATOM 1904 OE2 GLU A 120 0.782 8.300 11.215 1.00 0.00 O ATOM 0 H GLU A 120 -1.604 6.808 10.327 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.213 4.358 10.025 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -1.087 6.031 12.386 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -0.296 4.483 12.611 1.00 0.00 H new ATOM 0 HG2 GLU A 120 1.721 5.440 12.232 1.00 0.00 H new ATOM 0 HG3 GLU A 120 1.210 5.910 10.623 1.00 0.00 H new ATOM 1911 N ALA A 121 -3.082 4.152 11.649 1.00 0.00 N ATOM 1912 CA ALA A 121 -4.174 3.252 11.981 1.00 0.00 C ATOM 1913 C ALA A 121 -4.433 2.314 10.801 1.00 0.00 C ATOM 1914 O ALA A 121 -4.516 1.099 10.976 1.00 0.00 O ATOM 1915 CB ALA A 121 -5.411 4.069 12.359 1.00 0.00 C ATOM 0 H ALA A 121 -3.153 5.081 12.065 1.00 0.00 H new ATOM 0 HA ALA A 121 -3.915 2.635 12.841 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -6.230 3.395 12.608 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.183 4.697 13.220 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -5.702 4.699 11.518 1.00 0.00 H new ATOM 1921 N ALA A 122 -4.553 2.912 9.625 1.00 0.00 N ATOM 1922 CA ALA A 122 -4.800 2.145 8.417 1.00 0.00 C ATOM 1923 C ALA A 122 -3.943 0.877 8.438 1.00 0.00 C ATOM 1924 O ALA A 122 -4.467 -0.232 8.355 1.00 0.00 O ATOM 1925 CB ALA A 122 -4.520 3.017 7.191 1.00 0.00 C ATOM 0 H ALA A 122 -4.484 3.920 9.483 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.844 1.837 8.366 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -4.706 2.441 6.285 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -5.174 3.889 7.207 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.480 3.344 7.207 1.00 0.00 H new ATOM 1931 N LEU A 123 -2.639 1.085 8.550 1.00 0.00 N ATOM 1932 CA LEU A 123 -1.705 -0.027 8.583 1.00 0.00 C ATOM 1933 C LEU A 123 -2.002 -0.901 9.803 1.00 0.00 C ATOM 1934 O LEU A 123 -2.181 -2.111 9.675 1.00 0.00 O ATOM 1935 CB LEU A 123 -0.263 0.483 8.529 1.00 0.00 C ATOM 1936 CG LEU A 123 0.825 -0.589 8.443 1.00 0.00 C ATOM 1937 CD1 LEU A 123 1.387 -0.912 9.829 1.00 0.00 C ATOM 1938 CD2 LEU A 123 0.307 -1.840 7.729 1.00 0.00 C ATOM 0 H LEU A 123 -2.208 2.007 8.619 1.00 0.00 H new ATOM 0 HA LEU A 123 -1.830 -0.656 7.702 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -0.164 1.143 7.667 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -0.079 1.088 9.417 1.00 0.00 H new ATOM 0 HG LEU A 123 1.647 -0.194 7.846 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.159 -1.677 9.740 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.818 -0.011 10.266 1.00 0.00 H new ATOM 0 HD13 LEU A 123 0.585 -1.279 10.470 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.100 -2.586 7.681 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -0.542 -2.247 8.278 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -0.006 -1.579 6.718 1.00 0.00 H new ATOM 1950 N LEU A 124 -2.046 -0.254 10.958 1.00 0.00 N ATOM 1951 CA LEU A 124 -2.318 -0.958 12.200 1.00 0.00 C ATOM 1952 C LEU A 124 -3.432 -1.981 11.968 1.00 0.00 C ATOM 1953 O LEU A 124 -3.239 -3.175 12.191 1.00 0.00 O ATOM 1954 CB LEU A 124 -2.621 0.036 13.324 1.00 0.00 C ATOM 1955 CG LEU A 124 -1.406 0.695 13.981 1.00 0.00 C ATOM 1956 CD1 LEU A 124 -0.602 1.503 12.962 1.00 0.00 C ATOM 1957 CD2 LEU A 124 -1.827 1.543 15.183 1.00 0.00 C ATOM 0 H LEU A 124 -1.898 0.750 11.060 1.00 0.00 H new ATOM 0 HA LEU A 124 -1.437 -1.513 12.524 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -3.264 0.821 12.925 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -3.191 -0.481 14.096 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.751 -0.092 14.355 1.00 0.00 H new ATOM 0 HD11 LEU A 124 0.255 1.961 13.455 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -0.254 0.843 12.167 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -1.234 2.282 12.536 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -0.945 2.000 15.632 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -2.514 2.323 14.855 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -2.322 0.910 15.919 1.00 0.00 H new ATOM 1969 N ARG A 125 -4.573 -1.475 11.523 1.00 0.00 N ATOM 1970 CA ARG A 125 -5.718 -2.330 11.258 1.00 0.00 C ATOM 1971 C ARG A 125 -5.323 -3.469 10.316 1.00 0.00 C ATOM 1972 O ARG A 125 -5.363 -4.637 10.698 1.00 0.00 O ATOM 1973 CB ARG A 125 -6.866 -1.535 10.633 1.00 0.00 C ATOM 1974 CG ARG A 125 -7.694 -0.830 11.709 1.00 0.00 C ATOM 1975 CD ARG A 125 -7.912 0.643 11.356 1.00 0.00 C ATOM 1976 NE ARG A 125 -7.968 1.456 12.592 1.00 0.00 N ATOM 1977 CZ ARG A 125 -8.959 1.388 13.492 1.00 0.00 C ATOM 1978 NH1 ARG A 125 -9.981 0.543 13.299 1.00 0.00 N ATOM 1979 NH2 ARG A 125 -8.926 2.164 14.584 1.00 0.00 N ATOM 0 H ARG A 125 -4.729 -0.484 11.339 1.00 0.00 H new ATOM 0 HA ARG A 125 -6.052 -2.741 12.210 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -6.466 -0.798 9.936 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -7.505 -2.204 10.057 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -8.657 -1.328 11.816 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -7.187 -0.906 12.671 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -7.104 0.996 10.715 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -8.838 0.758 10.793 1.00 0.00 H new ATOM 0 HE ARG A 125 -7.205 2.109 12.770 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -10.004 -0.048 12.468 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -10.736 0.491 13.983 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -8.147 2.806 14.730 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -9.680 2.113 15.269 1.00 0.00 H new ATOM 1993 N LEU A 126 -4.950 -3.088 9.103 1.00 0.00 N ATOM 1994 CA LEU A 126 -4.548 -4.063 8.103 1.00 0.00 C ATOM 1995 C LEU A 126 -3.667 -5.128 8.760 1.00 0.00 C ATOM 1996 O LEU A 126 -3.945 -6.321 8.653 1.00 0.00 O ATOM 1997 CB LEU A 126 -3.887 -3.367 6.912 1.00 0.00 C ATOM 1998 CG LEU A 126 -4.743 -2.332 6.180 1.00 0.00 C ATOM 1999 CD1 LEU A 126 -3.873 -1.405 5.327 1.00 0.00 C ATOM 2000 CD2 LEU A 126 -5.837 -3.011 5.354 1.00 0.00 C ATOM 0 H LEU A 126 -4.918 -2.118 8.790 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.421 -4.576 7.699 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -2.979 -2.876 7.262 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -3.582 -4.129 6.195 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.240 -1.711 6.925 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.506 -0.679 4.817 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.163 -0.881 5.967 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.329 -1.994 4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.431 -2.253 4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.380 -3.671 4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.481 -3.594 6.012 1.00 0.00 H new ATOM 2012 N GLN A 127 -2.622 -4.657 9.425 1.00 0.00 N ATOM 2013 CA GLN A 127 -1.699 -5.554 10.100 1.00 0.00 C ATOM 2014 C GLN A 127 -2.453 -6.449 11.085 1.00 0.00 C ATOM 2015 O GLN A 127 -2.097 -7.612 11.271 1.00 0.00 O ATOM 2016 CB GLN A 127 -0.592 -4.770 10.807 1.00 0.00 C ATOM 2017 CG GLN A 127 0.295 -4.040 9.797 1.00 0.00 C ATOM 2018 CD GLN A 127 1.777 -4.241 10.122 1.00 0.00 C ATOM 2019 OE1 GLN A 127 2.191 -4.250 11.270 1.00 0.00 O ATOM 2020 NE2 GLN A 127 2.549 -4.401 9.052 1.00 0.00 N ATOM 0 H GLN A 127 -2.394 -3.666 9.511 1.00 0.00 H new ATOM 0 HA GLN A 127 -1.227 -6.190 9.351 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -1.034 -4.050 11.495 1.00 0.00 H new ATOM 0 HB3 GLN A 127 0.015 -5.450 11.405 1.00 0.00 H new ATOM 0 HG2 GLN A 127 0.086 -4.407 8.792 1.00 0.00 H new ATOM 0 HG3 GLN A 127 0.059 -2.976 9.803 1.00 0.00 H new ATOM 0 HE21 GLN A 127 2.137 -4.383 8.119 1.00 0.00 H new ATOM 0 HE22 GLN A 127 3.553 -4.542 9.164 1.00 0.00 H new ATOM 2029 N ALA A 128 -3.481 -5.873 11.691 1.00 0.00 N ATOM 2030 CA ALA A 128 -4.288 -6.605 12.653 1.00 0.00 C ATOM 2031 C ALA A 128 -5.311 -7.463 11.906 1.00 0.00 C ATOM 2032 O ALA A 128 -5.958 -8.323 12.501 1.00 0.00 O ATOM 2033 CB ALA A 128 -4.949 -5.619 13.619 1.00 0.00 C ATOM 0 H ALA A 128 -3.774 -4.908 11.535 1.00 0.00 H new ATOM 0 HA ALA A 128 -3.665 -7.275 13.246 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -5.554 -6.167 14.341 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -4.180 -5.054 14.145 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -5.584 -4.932 13.060 1.00 0.00 H new ATOM 2039 N GLN A 129 -5.425 -7.200 10.612 1.00 0.00 N ATOM 2040 CA GLN A 129 -6.358 -7.938 9.778 1.00 0.00 C ATOM 2041 C GLN A 129 -5.629 -9.052 9.025 1.00 0.00 C ATOM 2042 O GLN A 129 -6.203 -10.110 8.767 1.00 0.00 O ATOM 2043 CB GLN A 129 -7.083 -7.003 8.807 1.00 0.00 C ATOM 2044 CG GLN A 129 -7.100 -7.587 7.393 1.00 0.00 C ATOM 2045 CD GLN A 129 -8.284 -7.044 6.590 1.00 0.00 C ATOM 2046 OE1 GLN A 129 -8.852 -7.713 5.743 1.00 0.00 O ATOM 2047 NE2 GLN A 129 -8.623 -5.797 6.903 1.00 0.00 N ATOM 0 H GLN A 129 -4.887 -6.486 10.121 1.00 0.00 H new ATOM 0 HA GLN A 129 -7.110 -8.393 10.422 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -8.105 -6.839 9.149 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -6.591 -6.031 8.797 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -6.168 -7.343 6.884 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -7.159 -8.674 7.445 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -8.105 -5.293 7.623 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -9.401 -5.344 6.423 1.00 0.00 H new ATOM 2056 N VAL A 130 -4.376 -8.778 8.693 1.00 0.00 N ATOM 2057 CA VAL A 130 -3.563 -9.745 7.975 1.00 0.00 C ATOM 2058 C VAL A 130 -3.248 -10.925 8.896 1.00 0.00 C ATOM 2059 O VAL A 130 -3.355 -12.080 8.489 1.00 0.00 O ATOM 2060 CB VAL A 130 -2.308 -9.065 7.423 1.00 0.00 C ATOM 2061 CG1 VAL A 130 -1.316 -10.099 6.886 1.00 0.00 C ATOM 2062 CG2 VAL A 130 -2.668 -8.040 6.346 1.00 0.00 C ATOM 0 H VAL A 130 -3.904 -7.900 8.908 1.00 0.00 H new ATOM 0 HA VAL A 130 -4.107 -10.140 7.117 1.00 0.00 H new ATOM 0 HB VAL A 130 -1.827 -8.533 8.244 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -0.433 -9.590 6.500 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -1.023 -10.774 7.690 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -1.784 -10.671 6.085 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -1.758 -7.572 5.971 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -3.184 -8.540 5.526 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -3.319 -7.277 6.773 1.00 0.00 H new ATOM 2072 N ARG A 131 -2.867 -10.593 10.121 1.00 0.00 N ATOM 2073 CA ARG A 131 -2.535 -11.611 11.103 1.00 0.00 C ATOM 2074 C ARG A 131 -3.506 -12.789 10.995 1.00 0.00 C ATOM 2075 O ARG A 131 -3.127 -13.934 11.232 1.00 0.00 O ATOM 2076 CB ARG A 131 -2.589 -11.044 12.523 1.00 0.00 C ATOM 2077 CG ARG A 131 -1.295 -10.303 12.866 1.00 0.00 C ATOM 2078 CD ARG A 131 -1.534 -9.262 13.962 1.00 0.00 C ATOM 2079 NE ARG A 131 -1.145 -9.814 15.279 1.00 0.00 N ATOM 2080 CZ ARG A 131 -1.940 -10.582 16.035 1.00 0.00 C ATOM 2081 NH1 ARG A 131 -3.173 -10.893 15.611 1.00 0.00 N ATOM 2082 NH2 ARG A 131 -1.504 -11.040 17.217 1.00 0.00 N ATOM 0 H ARG A 131 -2.781 -9.633 10.456 1.00 0.00 H new ATOM 0 HA ARG A 131 -1.520 -11.952 10.898 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -3.437 -10.365 12.616 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -2.749 -11.853 13.236 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -0.539 -11.016 13.195 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -0.904 -9.814 11.974 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -0.957 -8.361 13.751 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -2.585 -8.972 13.976 1.00 0.00 H new ATOM 0 HE ARG A 131 -0.214 -9.596 15.633 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -3.506 -10.545 14.712 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -3.778 -11.478 16.187 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -0.566 -10.804 17.541 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -2.110 -11.625 17.792 1.00 0.00 H new ATOM 2096 N LYS A 132 -4.740 -12.466 10.636 1.00 0.00 N ATOM 2097 CA LYS A 132 -5.768 -13.483 10.493 1.00 0.00 C ATOM 2098 C LYS A 132 -5.496 -14.303 9.231 1.00 0.00 C ATOM 2099 O LYS A 132 -5.500 -15.533 9.272 1.00 0.00 O ATOM 2100 CB LYS A 132 -7.159 -12.847 10.525 1.00 0.00 C ATOM 2101 CG LYS A 132 -7.371 -12.056 11.818 1.00 0.00 C ATOM 2102 CD LYS A 132 -7.522 -10.561 11.528 1.00 0.00 C ATOM 2103 CE LYS A 132 -8.862 -10.267 10.851 1.00 0.00 C ATOM 2104 NZ LYS A 132 -9.973 -10.410 11.817 1.00 0.00 N ATOM 0 H LYS A 132 -5.051 -11.515 10.440 1.00 0.00 H new ATOM 0 HA LYS A 132 -5.739 -14.174 11.335 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -7.281 -12.187 9.666 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -7.920 -13.623 10.440 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -8.260 -12.422 12.331 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -6.527 -12.216 12.489 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -7.449 -9.997 12.458 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -6.706 -10.227 10.888 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -8.856 -9.257 10.442 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -9.010 -10.949 10.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -10.831 -9.970 11.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -10.151 -11.419 11.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -9.719 -9.941 12.710 1.00 0.00 H new ATOM 2118 N ALA A 133 -5.267 -13.590 8.138 1.00 0.00 N ATOM 2119 CA ALA A 133 -4.993 -14.237 6.866 1.00 0.00 C ATOM 2120 C ALA A 133 -3.881 -15.270 7.053 1.00 0.00 C ATOM 2121 O ALA A 133 -3.799 -16.242 6.303 1.00 0.00 O ATOM 2122 CB ALA A 133 -4.636 -13.178 5.821 1.00 0.00 C ATOM 0 H ALA A 133 -5.266 -12.570 8.107 1.00 0.00 H new ATOM 0 HA ALA A 133 -5.876 -14.765 6.506 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -4.430 -13.663 4.867 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -5.470 -12.486 5.704 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -3.752 -12.629 6.147 1.00 0.00 H new ATOM 2128 N LEU A 134 -3.052 -15.026 8.058 1.00 0.00 N ATOM 2129 CA LEU A 134 -1.948 -15.923 8.353 1.00 0.00 C ATOM 2130 C LEU A 134 -2.495 -17.326 8.624 1.00 0.00 C ATOM 2131 O LEU A 134 -1.806 -18.320 8.397 1.00 0.00 O ATOM 2132 CB LEU A 134 -1.094 -15.365 9.493 1.00 0.00 C ATOM 2133 CG LEU A 134 -0.526 -13.961 9.279 1.00 0.00 C ATOM 2134 CD1 LEU A 134 0.522 -13.626 10.343 1.00 0.00 C ATOM 2135 CD2 LEU A 134 0.026 -13.802 7.861 1.00 0.00 C ATOM 0 H LEU A 134 -3.123 -14.219 8.678 1.00 0.00 H new ATOM 0 HA LEU A 134 -1.281 -16.001 7.495 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -1.696 -15.357 10.402 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -0.263 -16.049 9.667 1.00 0.00 H new ATOM 0 HG LEU A 134 -1.339 -13.243 9.390 1.00 0.00 H new ATOM 0 HD11 LEU A 134 0.910 -12.623 10.168 1.00 0.00 H new ATOM 0 HD12 LEU A 134 0.064 -13.671 11.331 1.00 0.00 H new ATOM 0 HD13 LEU A 134 1.339 -14.346 10.288 1.00 0.00 H new ATOM 0 HD21 LEU A 134 0.423 -12.795 7.736 1.00 0.00 H new ATOM 0 HD22 LEU A 134 0.821 -14.529 7.697 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -0.773 -13.969 7.139 1.00 0.00 H new ATOM 2147 N THR A 135 -3.729 -17.362 9.106 1.00 0.00 N ATOM 2148 CA THR A 135 -4.376 -18.627 9.411 1.00 0.00 C ATOM 2149 C THR A 135 -5.127 -19.151 8.185 1.00 0.00 C ATOM 2150 O THR A 135 -5.695 -20.242 8.219 1.00 0.00 O ATOM 2151 CB THR A 135 -5.277 -18.415 10.630 1.00 0.00 C ATOM 2152 OG1 THR A 135 -5.617 -19.736 11.043 1.00 0.00 O ATOM 2153 CG2 THR A 135 -6.620 -17.782 10.262 1.00 0.00 C ATOM 0 H THR A 135 -4.297 -16.536 9.293 1.00 0.00 H new ATOM 0 HA THR A 135 -3.644 -19.396 9.659 1.00 0.00 H new ATOM 0 HB THR A 135 -4.765 -17.783 11.355 1.00 0.00 H new ATOM 0 HG1 THR A 135 -5.591 -20.337 10.270 1.00 0.00 H new ATOM 0 HG21 THR A 135 -7.221 -17.653 11.162 1.00 0.00 H new ATOM 0 HG22 THR A 135 -6.449 -16.811 9.798 1.00 0.00 H new ATOM 0 HG23 THR A 135 -7.148 -18.430 9.563 1.00 0.00 H new ATOM 2161 N SER A 136 -5.105 -18.349 7.130 1.00 0.00 N ATOM 2162 CA SER A 136 -5.776 -18.719 5.895 1.00 0.00 C ATOM 2163 C SER A 136 -4.821 -18.554 4.711 1.00 0.00 C ATOM 2164 O SER A 136 -3.603 -18.558 4.886 1.00 0.00 O ATOM 2165 CB SER A 136 -7.036 -17.879 5.681 1.00 0.00 C ATOM 2166 OG SER A 136 -8.197 -18.689 5.518 1.00 0.00 O ATOM 0 H SER A 136 -4.633 -17.445 7.105 1.00 0.00 H new ATOM 0 HA SER A 136 -6.076 -19.764 5.968 1.00 0.00 H new ATOM 0 HB2 SER A 136 -7.176 -17.212 6.532 1.00 0.00 H new ATOM 0 HB3 SER A 136 -6.907 -17.250 4.801 1.00 0.00 H new ATOM 0 HG SER A 136 -8.980 -18.115 5.386 1.00 0.00 H new TER 2172 SER A 136