USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 877 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 59 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 45 MET CE :methyl 174:sc= -1.52 (180deg=-1.61) USER MOD Set 2.2: A 90 TYR OH : rot 30:sc= -0.0117 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0653 X(o=-0.065,f=-0.42) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.0237 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 23 TYR OH : rot 90:sc= 0.113 USER MOD Single : A 24 GLN : amide:sc= -0.195 K(o=-0.2,f=-1.6) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 160:sc= 0.636 (180deg=0.437) USER MOD Single : A 36 LYS NZ :NH3+ -164:sc= 0.401 (180deg=0.175) USER MOD Single : A 38 LYS NZ :NH3+ -143:sc= -0.28 (180deg=-1.96!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -2.83! K(o=-2.8!,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 164:sc= 0.346 (180deg=0.235) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 168:sc= 0.23 (180deg=0.029) USER MOD Single : A 64 HIS : no HD1:sc= -0.976 K(o=-0.98,f=-3.7!) USER MOD Single : A 65 SER OG : rot -106:sc= 0.495 USER MOD Single : A 71 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0561) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0376) USER MOD Single : A 76 LYS NZ :NH3+ 169:sc= 0.245 (180deg=0.197) USER MOD Single : A 82 ASN : amide:sc= -0.0153 X(o=-0.015,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00102) USER MOD Single : A 91 ASN : amide:sc= -1.67! K(o=-1.7!,f=-0.04) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.32! C(o=-1.3!,f=-2.3!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0797 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 4 16.451 -7.030 1.247 1.00 34.54 N ATOM 39 CA LYS A 4 15.770 -6.919 2.547 1.00 4.01 C ATOM 40 C LYS A 4 14.270 -7.225 2.406 1.00 3.02 C ATOM 41 O LYS A 4 13.673 -7.019 1.340 1.00 61.45 O ATOM 42 CB LYS A 4 15.986 -5.480 3.115 1.00 43.32 C ATOM 43 CG LYS A 4 15.386 -5.191 4.529 1.00 12.21 C ATOM 44 CD LYS A 4 16.302 -5.580 5.727 1.00 12.32 C ATOM 45 CE LYS A 4 16.449 -7.087 5.977 1.00 72.20 C ATOM 46 NZ LYS A 4 17.365 -7.370 7.124 1.00 63.43 N ATOM 0 HA LYS A 4 16.193 -7.649 3.237 1.00 4.01 H new ATOM 0 HB2 LYS A 4 17.058 -5.286 3.153 1.00 43.32 H new ATOM 0 HB3 LYS A 4 15.558 -4.767 2.410 1.00 43.32 H new ATOM 0 HG2 LYS A 4 15.155 -4.128 4.598 1.00 12.21 H new ATOM 0 HG3 LYS A 4 14.443 -5.729 4.623 1.00 12.21 H new ATOM 0 HD2 LYS A 4 17.293 -5.158 5.558 1.00 12.32 H new ATOM 0 HD3 LYS A 4 15.908 -5.115 6.631 1.00 12.32 H new ATOM 0 HE2 LYS A 4 15.469 -7.520 6.178 1.00 72.20 H new ATOM 0 HE3 LYS A 4 16.832 -7.570 5.078 1.00 72.20 H new ATOM 0 HZ1 LYS A 4 17.440 -8.398 7.263 1.00 63.43 H new ATOM 0 HZ2 LYS A 4 18.307 -6.979 6.921 1.00 63.43 H new ATOM 0 HZ3 LYS A 4 16.986 -6.931 7.987 1.00 63.43 H new ATOM 60 N LYS A 5 13.683 -7.752 3.485 1.00 40.05 N ATOM 61 CA LYS A 5 12.238 -7.870 3.631 1.00 2.24 C ATOM 62 C LYS A 5 11.681 -6.560 4.220 1.00 12.12 C ATOM 63 O LYS A 5 12.108 -6.120 5.291 1.00 0.23 O ATOM 64 CB LYS A 5 11.900 -9.054 4.568 1.00 61.03 C ATOM 65 CG LYS A 5 10.389 -9.282 4.815 1.00 63.11 C ATOM 66 CD LYS A 5 10.111 -10.233 6.002 1.00 2.44 C ATOM 67 CE LYS A 5 10.704 -11.638 5.816 1.00 71.05 C ATOM 68 NZ LYS A 5 10.484 -12.488 7.019 1.00 34.22 N ATOM 0 H LYS A 5 14.205 -8.110 4.285 1.00 40.05 H new ATOM 0 HA LYS A 5 11.786 -8.052 2.656 1.00 2.24 H new ATOM 0 HB2 LYS A 5 12.325 -9.965 4.146 1.00 61.03 H new ATOM 0 HB3 LYS A 5 12.389 -8.889 5.528 1.00 61.03 H new ATOM 0 HG2 LYS A 5 9.908 -8.322 5.004 1.00 63.11 H new ATOM 0 HG3 LYS A 5 9.936 -9.693 3.913 1.00 63.11 H new ATOM 0 HD2 LYS A 5 10.519 -9.793 6.912 1.00 2.44 H new ATOM 0 HD3 LYS A 5 9.034 -10.318 6.144 1.00 2.44 H new ATOM 0 HE2 LYS A 5 10.251 -12.113 4.946 1.00 71.05 H new ATOM 0 HE3 LYS A 5 11.773 -11.559 5.616 1.00 71.05 H new ATOM 0 HZ1 LYS A 5 10.897 -13.429 6.859 1.00 34.22 H new ATOM 0 HZ2 LYS A 5 10.938 -12.046 7.844 1.00 34.22 H new ATOM 0 HZ3 LYS A 5 9.463 -12.583 7.195 1.00 34.22 H new ATOM 82 N VAL A 6 10.753 -5.942 3.493 1.00 42.42 N ATOM 83 CA VAL A 6 9.917 -4.838 3.993 1.00 2.10 C ATOM 84 C VAL A 6 8.524 -5.416 4.280 1.00 51.31 C ATOM 85 O VAL A 6 7.991 -6.191 3.477 1.00 52.32 O ATOM 86 CB VAL A 6 9.823 -3.625 2.970 1.00 40.22 C ATOM 87 CG1 VAL A 6 9.768 -4.116 1.509 1.00 21.34 C ATOM 88 CG2 VAL A 6 8.606 -2.719 3.267 1.00 44.34 C ATOM 0 H VAL A 6 10.553 -6.193 2.525 1.00 42.42 H new ATOM 0 HA VAL A 6 10.369 -4.426 4.895 1.00 2.10 H new ATOM 0 HB VAL A 6 10.731 -3.036 3.103 1.00 40.22 H new ATOM 0 HG11 VAL A 6 9.704 -3.258 0.839 1.00 21.34 H new ATOM 0 HG12 VAL A 6 10.669 -4.687 1.283 1.00 21.34 H new ATOM 0 HG13 VAL A 6 8.892 -4.750 1.371 1.00 21.34 H new ATOM 0 HG21 VAL A 6 8.576 -1.902 2.546 1.00 44.34 H new ATOM 0 HG22 VAL A 6 7.690 -3.304 3.190 1.00 44.34 H new ATOM 0 HG23 VAL A 6 8.693 -2.312 4.274 1.00 44.34 H new ATOM 98 N GLU A 7 7.936 -5.036 5.417 1.00 2.32 N ATOM 99 CA GLU A 7 6.606 -5.515 5.821 1.00 75.25 C ATOM 100 C GLU A 7 5.595 -4.367 5.671 1.00 44.54 C ATOM 101 O GLU A 7 5.678 -3.350 6.361 1.00 12.25 O ATOM 102 CB GLU A 7 6.633 -6.054 7.269 1.00 63.33 C ATOM 103 CG GLU A 7 7.492 -7.318 7.478 1.00 70.52 C ATOM 104 CD GLU A 7 7.496 -7.829 8.934 1.00 34.21 C ATOM 105 OE1 GLU A 7 6.405 -8.067 9.493 1.00 3.32 O ATOM 106 OE2 GLU A 7 8.577 -7.979 9.537 1.00 33.13 O ATOM 0 H GLU A 7 8.363 -4.391 6.082 1.00 2.32 H new ATOM 0 HA GLU A 7 6.304 -6.341 5.177 1.00 75.25 H new ATOM 0 HB2 GLU A 7 7.004 -5.268 7.926 1.00 63.33 H new ATOM 0 HB3 GLU A 7 5.611 -6.272 7.579 1.00 63.33 H new ATOM 0 HG2 GLU A 7 7.124 -8.109 6.825 1.00 70.52 H new ATOM 0 HG3 GLU A 7 8.517 -7.105 7.174 1.00 70.52 H new ATOM 113 N VAL A 8 4.644 -4.551 4.755 1.00 43.11 N ATOM 114 CA VAL A 8 3.655 -3.533 4.375 1.00 75.55 C ATOM 115 C VAL A 8 2.348 -3.763 5.162 1.00 12.32 C ATOM 116 O VAL A 8 1.681 -4.783 4.973 1.00 54.15 O ATOM 117 CB VAL A 8 3.409 -3.586 2.817 1.00 24.11 C ATOM 118 CG1 VAL A 8 2.322 -2.590 2.356 1.00 0.33 C ATOM 119 CG2 VAL A 8 4.736 -3.339 2.061 1.00 53.32 C ATOM 0 H VAL A 8 4.534 -5.427 4.245 1.00 43.11 H new ATOM 0 HA VAL A 8 4.029 -2.540 4.623 1.00 75.55 H new ATOM 0 HB VAL A 8 3.040 -4.584 2.579 1.00 24.11 H new ATOM 0 HG11 VAL A 8 2.192 -2.667 1.277 1.00 0.33 H new ATOM 0 HG12 VAL A 8 1.380 -2.824 2.852 1.00 0.33 H new ATOM 0 HG13 VAL A 8 2.626 -1.575 2.613 1.00 0.33 H new ATOM 0 HG21 VAL A 8 4.555 -3.378 0.987 1.00 53.32 H new ATOM 0 HG22 VAL A 8 5.130 -2.358 2.328 1.00 53.32 H new ATOM 0 HG23 VAL A 8 5.459 -4.107 2.335 1.00 53.32 H new ATOM 129 N GLN A 9 1.996 -2.809 6.042 1.00 4.21 N ATOM 130 CA GLN A 9 0.811 -2.907 6.911 1.00 32.14 C ATOM 131 C GLN A 9 -0.354 -2.188 6.220 1.00 34.23 C ATOM 132 O GLN A 9 -0.458 -0.963 6.293 1.00 24.43 O ATOM 133 CB GLN A 9 1.101 -2.253 8.294 1.00 52.21 C ATOM 134 CG GLN A 9 2.271 -2.875 9.078 1.00 51.41 C ATOM 135 CD GLN A 9 2.584 -2.117 10.373 1.00 5.03 C ATOM 136 OE1 GLN A 9 3.412 -1.207 10.390 1.00 43.04 O ATOM 137 NE2 GLN A 9 1.915 -2.469 11.463 1.00 32.44 N ATOM 0 H GLN A 9 2.526 -1.947 6.170 1.00 4.21 H new ATOM 0 HA GLN A 9 0.558 -3.954 7.078 1.00 32.14 H new ATOM 0 HB2 GLN A 9 1.309 -1.194 8.141 1.00 52.21 H new ATOM 0 HB3 GLN A 9 0.200 -2.316 8.905 1.00 52.21 H new ATOM 0 HG2 GLN A 9 2.033 -3.911 9.317 1.00 51.41 H new ATOM 0 HG3 GLN A 9 3.159 -2.890 8.446 1.00 51.41 H new ATOM 0 HE21 GLN A 9 1.234 -3.227 11.421 1.00 32.44 H new ATOM 0 HE22 GLN A 9 2.082 -1.981 12.343 1.00 32.44 H new ATOM 146 N VAL A 10 -1.226 -2.954 5.557 1.00 73.44 N ATOM 147 CA VAL A 10 -2.358 -2.416 4.789 1.00 64.14 C ATOM 148 C VAL A 10 -3.599 -2.396 5.691 1.00 51.42 C ATOM 149 O VAL A 10 -4.130 -3.456 6.034 1.00 61.23 O ATOM 150 CB VAL A 10 -2.622 -3.273 3.487 1.00 73.20 C ATOM 151 CG1 VAL A 10 -3.843 -2.754 2.690 1.00 11.12 C ATOM 152 CG2 VAL A 10 -1.358 -3.319 2.596 1.00 53.34 C ATOM 0 H VAL A 10 -1.168 -3.972 5.537 1.00 73.44 H new ATOM 0 HA VAL A 10 -2.125 -1.402 4.464 1.00 64.14 H new ATOM 0 HB VAL A 10 -2.856 -4.288 3.807 1.00 73.20 H new ATOM 0 HG11 VAL A 10 -3.988 -3.372 1.804 1.00 11.12 H new ATOM 0 HG12 VAL A 10 -4.734 -2.803 3.316 1.00 11.12 H new ATOM 0 HG13 VAL A 10 -3.668 -1.721 2.388 1.00 11.12 H new ATOM 0 HG21 VAL A 10 -1.562 -3.914 1.706 1.00 53.34 H new ATOM 0 HG22 VAL A 10 -1.084 -2.306 2.301 1.00 53.34 H new ATOM 0 HG23 VAL A 10 -0.536 -3.769 3.153 1.00 53.34 H new ATOM 162 N LYS A 11 -4.025 -1.192 6.110 1.00 20.00 N ATOM 163 CA LYS A 11 -5.204 -1.007 6.966 1.00 74.14 C ATOM 164 C LYS A 11 -6.334 -0.393 6.135 1.00 73.41 C ATOM 165 O LYS A 11 -6.303 0.788 5.849 1.00 35.11 O ATOM 166 CB LYS A 11 -4.849 -0.074 8.158 1.00 21.14 C ATOM 167 CG LYS A 11 -6.044 0.258 9.077 1.00 50.44 C ATOM 168 CD LYS A 11 -5.755 1.382 10.096 1.00 5.25 C ATOM 169 CE LYS A 11 -4.658 1.023 11.105 1.00 62.35 C ATOM 170 NZ LYS A 11 -4.444 2.111 12.098 1.00 34.03 N ATOM 0 H LYS A 11 -3.559 -0.319 5.863 1.00 20.00 H new ATOM 0 HA LYS A 11 -5.527 -1.970 7.361 1.00 74.14 H new ATOM 0 HB2 LYS A 11 -4.067 -0.545 8.753 1.00 21.14 H new ATOM 0 HB3 LYS A 11 -4.436 0.856 7.767 1.00 21.14 H new ATOM 0 HG2 LYS A 11 -6.894 0.550 8.460 1.00 50.44 H new ATOM 0 HG3 LYS A 11 -6.336 -0.643 9.617 1.00 50.44 H new ATOM 0 HD2 LYS A 11 -5.462 2.283 9.558 1.00 5.25 H new ATOM 0 HD3 LYS A 11 -6.672 1.617 10.636 1.00 5.25 H new ATOM 0 HE2 LYS A 11 -4.929 0.104 11.625 1.00 62.35 H new ATOM 0 HE3 LYS A 11 -3.726 0.826 10.575 1.00 62.35 H new ATOM 0 HZ1 LYS A 11 -3.695 1.831 12.763 1.00 34.03 H new ATOM 0 HZ2 LYS A 11 -4.161 2.981 11.604 1.00 34.03 H new ATOM 0 HZ3 LYS A 11 -5.326 2.281 12.622 1.00 34.03 H new ATOM 184 N ILE A 12 -7.332 -1.190 5.745 1.00 42.05 N ATOM 185 CA ILE A 12 -8.472 -0.707 4.947 1.00 72.23 C ATOM 186 C ILE A 12 -9.755 -0.629 5.804 1.00 23.22 C ATOM 187 O ILE A 12 -10.114 -1.578 6.496 1.00 14.32 O ATOM 188 CB ILE A 12 -8.706 -1.596 3.670 1.00 12.34 C ATOM 189 CG1 ILE A 12 -9.953 -1.094 2.879 1.00 50.43 C ATOM 190 CG2 ILE A 12 -8.815 -3.108 4.013 1.00 32.42 C ATOM 191 CD1 ILE A 12 -10.184 -1.791 1.567 1.00 4.33 C ATOM 0 H ILE A 12 -7.377 -2.184 5.970 1.00 42.05 H new ATOM 0 HA ILE A 12 -8.227 0.299 4.607 1.00 72.23 H new ATOM 0 HB ILE A 12 -7.829 -1.491 3.031 1.00 12.34 H new ATOM 0 HG12 ILE A 12 -10.838 -1.220 3.503 1.00 50.43 H new ATOM 0 HG13 ILE A 12 -9.843 -0.026 2.693 1.00 50.43 H new ATOM 0 HG21 ILE A 12 -8.976 -3.678 3.098 1.00 32.42 H new ATOM 0 HG22 ILE A 12 -7.893 -3.440 4.490 1.00 32.42 H new ATOM 0 HG23 ILE A 12 -9.653 -3.268 4.692 1.00 32.42 H new ATOM 0 HD11 ILE A 12 -11.071 -1.378 1.087 1.00 4.33 H new ATOM 0 HD12 ILE A 12 -9.319 -1.644 0.920 1.00 4.33 H new ATOM 0 HD13 ILE A 12 -10.329 -2.857 1.742 1.00 4.33 H new ATOM 203 N THR A 13 -10.432 0.526 5.742 1.00 1.53 N ATOM 204 CA THR A 13 -11.695 0.770 6.438 1.00 63.13 C ATOM 205 C THR A 13 -12.852 0.593 5.436 1.00 14.10 C ATOM 206 O THR A 13 -13.008 1.415 4.520 1.00 43.12 O ATOM 207 CB THR A 13 -11.715 2.212 7.057 1.00 75.14 C ATOM 208 OG1 THR A 13 -10.479 2.451 7.753 1.00 40.21 O ATOM 209 CG2 THR A 13 -12.893 2.408 8.039 1.00 23.51 C ATOM 0 H THR A 13 -10.110 1.326 5.198 1.00 1.53 H new ATOM 0 HA THR A 13 -11.807 0.058 7.256 1.00 63.13 H new ATOM 0 HB THR A 13 -11.839 2.920 6.238 1.00 75.14 H new ATOM 0 HG1 THR A 13 -10.490 3.352 8.139 1.00 40.21 H new ATOM 0 HG21 THR A 13 -12.866 3.420 8.442 1.00 23.51 H new ATOM 0 HG22 THR A 13 -13.835 2.252 7.513 1.00 23.51 H new ATOM 0 HG23 THR A 13 -12.810 1.690 8.855 1.00 23.51 H new ATOM 217 N CYS A 14 -13.610 -0.511 5.580 1.00 64.45 N ATOM 218 CA CYS A 14 -14.742 -0.851 4.701 1.00 73.52 C ATOM 219 C CYS A 14 -15.973 -1.203 5.545 1.00 22.51 C ATOM 220 O CYS A 14 -15.927 -2.141 6.364 1.00 21.32 O ATOM 221 CB CYS A 14 -14.383 -2.032 3.779 1.00 44.30 C ATOM 222 SG CYS A 14 -15.777 -2.625 2.760 1.00 75.32 S ATOM 0 H CYS A 14 -13.451 -1.198 6.317 1.00 64.45 H new ATOM 0 HA CYS A 14 -14.967 0.016 4.080 1.00 73.52 H new ATOM 0 HB2 CYS A 14 -13.567 -1.732 3.122 1.00 44.30 H new ATOM 0 HB3 CYS A 14 -14.014 -2.857 4.388 1.00 44.30 H new ATOM 227 N ASN A 15 -17.061 -0.427 5.343 1.00 60.34 N ATOM 228 CA ASN A 15 -18.356 -0.609 6.027 1.00 14.41 C ATOM 229 C ASN A 15 -18.183 -0.557 7.565 1.00 54.11 C ATOM 230 O ASN A 15 -18.530 -1.498 8.292 1.00 21.14 O ATOM 231 CB ASN A 15 -19.054 -1.920 5.544 1.00 33.51 C ATOM 232 CG ASN A 15 -20.468 -2.116 6.113 1.00 41.00 C ATOM 233 OD1 ASN A 15 -21.209 -1.155 6.316 1.00 25.34 O ATOM 234 ND2 ASN A 15 -20.843 -3.358 6.401 1.00 24.05 N ATOM 0 H ASN A 15 -17.062 0.356 4.689 1.00 60.34 H new ATOM 0 HA ASN A 15 -19.013 0.218 5.760 1.00 14.41 H new ATOM 0 HB2 ASN A 15 -19.109 -1.912 4.455 1.00 33.51 H new ATOM 0 HB3 ASN A 15 -18.438 -2.774 5.826 1.00 33.51 H new ATOM 0 HD21 ASN A 15 -21.765 -3.533 6.801 1.00 24.05 H new ATOM 0 HD22 ASN A 15 -20.209 -4.137 6.222 1.00 24.05 H new ATOM 241 N GLY A 16 -17.550 0.534 8.025 1.00 12.41 N ATOM 242 CA GLY A 16 -17.387 0.831 9.453 1.00 24.33 C ATOM 243 C GLY A 16 -16.444 -0.106 10.205 1.00 13.30 C ATOM 244 O GLY A 16 -16.345 -0.028 11.435 1.00 71.10 O ATOM 0 H GLY A 16 -17.136 1.237 7.412 1.00 12.41 H new ATOM 0 HA2 GLY A 16 -17.019 1.852 9.556 1.00 24.33 H new ATOM 0 HA3 GLY A 16 -18.366 0.795 9.930 1.00 24.33 H new ATOM 248 N LYS A 17 -15.761 -1.000 9.466 1.00 21.10 N ATOM 249 CA LYS A 17 -14.834 -1.990 10.037 1.00 52.24 C ATOM 250 C LYS A 17 -13.407 -1.744 9.525 1.00 13.21 C ATOM 251 O LYS A 17 -13.206 -1.443 8.351 1.00 2.25 O ATOM 252 CB LYS A 17 -15.299 -3.423 9.674 1.00 21.02 C ATOM 253 CG LYS A 17 -16.649 -3.859 10.290 1.00 11.41 C ATOM 254 CD LYS A 17 -16.995 -5.341 9.975 1.00 2.24 C ATOM 255 CE LYS A 17 -15.937 -6.337 10.499 1.00 41.32 C ATOM 256 NZ LYS A 17 -16.274 -7.751 10.168 1.00 22.11 N ATOM 0 H LYS A 17 -15.839 -1.055 8.450 1.00 21.10 H new ATOM 0 HA LYS A 17 -14.833 -1.886 11.122 1.00 52.24 H new ATOM 0 HB2 LYS A 17 -15.373 -3.499 8.589 1.00 21.02 H new ATOM 0 HB3 LYS A 17 -14.530 -4.127 9.991 1.00 21.02 H new ATOM 0 HG2 LYS A 17 -16.614 -3.719 11.370 1.00 11.41 H new ATOM 0 HG3 LYS A 17 -17.443 -3.215 9.911 1.00 11.41 H new ATOM 0 HD2 LYS A 17 -17.962 -5.583 10.415 1.00 2.24 H new ATOM 0 HD3 LYS A 17 -17.096 -5.462 8.897 1.00 2.24 H new ATOM 0 HE2 LYS A 17 -14.965 -6.089 10.072 1.00 41.32 H new ATOM 0 HE3 LYS A 17 -15.847 -6.231 11.580 1.00 41.32 H new ATOM 0 HZ1 LYS A 17 -15.535 -8.380 10.541 1.00 22.11 H new ATOM 0 HZ2 LYS A 17 -17.188 -7.999 10.597 1.00 22.11 H new ATOM 0 HZ3 LYS A 17 -16.334 -7.861 9.136 1.00 22.11 H new ATOM 270 N THR A 18 -12.426 -1.890 10.430 1.00 43.51 N ATOM 271 CA THR A 18 -10.999 -1.684 10.139 1.00 35.15 C ATOM 272 C THR A 18 -10.288 -3.046 9.967 1.00 4.44 C ATOM 273 O THR A 18 -10.265 -3.865 10.897 1.00 62.14 O ATOM 274 CB THR A 18 -10.341 -0.856 11.293 1.00 24.41 C ATOM 275 OG1 THR A 18 -11.008 0.419 11.405 1.00 22.53 O ATOM 276 CG2 THR A 18 -8.841 -0.624 11.087 1.00 3.41 C ATOM 0 H THR A 18 -12.605 -2.158 11.398 1.00 43.51 H new ATOM 0 HA THR A 18 -10.897 -1.127 9.207 1.00 35.15 H new ATOM 0 HB THR A 18 -10.452 -1.439 12.207 1.00 24.41 H new ATOM 0 HG1 THR A 18 -10.600 0.939 12.128 1.00 22.53 H new ATOM 0 HG21 THR A 18 -8.445 -0.044 11.921 1.00 3.41 H new ATOM 0 HG22 THR A 18 -8.328 -1.584 11.036 1.00 3.41 H new ATOM 0 HG23 THR A 18 -8.682 -0.078 10.157 1.00 3.41 H new ATOM 284 N TYR A 19 -9.737 -3.285 8.770 1.00 1.42 N ATOM 285 CA TYR A 19 -9.048 -4.536 8.413 1.00 41.01 C ATOM 286 C TYR A 19 -7.569 -4.238 8.172 1.00 13.32 C ATOM 287 O TYR A 19 -7.210 -3.737 7.105 1.00 13.11 O ATOM 288 CB TYR A 19 -9.653 -5.148 7.122 1.00 0.22 C ATOM 289 CG TYR A 19 -11.170 -5.307 7.133 1.00 14.21 C ATOM 290 CD1 TYR A 19 -11.770 -6.428 7.705 1.00 21.13 C ATOM 291 CD2 TYR A 19 -12.000 -4.339 6.561 1.00 71.23 C ATOM 292 CE1 TYR A 19 -13.138 -6.574 7.708 1.00 13.13 C ATOM 293 CE2 TYR A 19 -13.364 -4.483 6.565 1.00 22.34 C ATOM 294 CZ TYR A 19 -13.927 -5.607 7.138 1.00 14.24 C ATOM 295 OH TYR A 19 -15.289 -5.758 7.146 1.00 11.34 O ATOM 0 H TYR A 19 -9.757 -2.606 8.009 1.00 1.42 H new ATOM 0 HA TYR A 19 -9.168 -5.247 9.230 1.00 41.01 H new ATOM 0 HB2 TYR A 19 -9.375 -4.520 6.275 1.00 0.22 H new ATOM 0 HB3 TYR A 19 -9.202 -6.126 6.956 1.00 0.22 H new ATOM 0 HD1 TYR A 19 -11.152 -7.193 8.152 1.00 21.13 H new ATOM 0 HD2 TYR A 19 -11.560 -3.463 6.108 1.00 71.23 H new ATOM 0 HE1 TYR A 19 -13.589 -7.446 8.157 1.00 13.13 H new ATOM 0 HE2 TYR A 19 -13.993 -3.724 6.124 1.00 22.34 H new ATOM 0 HH TYR A 19 -15.706 -4.988 6.705 1.00 11.34 H new ATOM 305 N GLU A 20 -6.710 -4.533 9.151 1.00 30.44 N ATOM 306 CA GLU A 20 -5.261 -4.308 9.010 1.00 3.02 C ATOM 307 C GLU A 20 -4.498 -5.635 9.071 1.00 24.44 C ATOM 308 O GLU A 20 -4.805 -6.507 9.892 1.00 71.32 O ATOM 309 CB GLU A 20 -4.740 -3.302 10.067 1.00 2.32 C ATOM 310 CG GLU A 20 -4.881 -3.728 11.542 1.00 34.33 C ATOM 311 CD GLU A 20 -4.193 -2.744 12.501 1.00 54.40 C ATOM 312 OE1 GLU A 20 -2.945 -2.777 12.602 1.00 21.43 O ATOM 313 OE2 GLU A 20 -4.881 -1.913 13.124 1.00 63.34 O ATOM 0 H GLU A 20 -6.988 -4.928 10.050 1.00 30.44 H new ATOM 0 HA GLU A 20 -5.082 -3.865 8.030 1.00 3.02 H new ATOM 0 HB2 GLU A 20 -3.686 -3.109 9.866 1.00 2.32 H new ATOM 0 HB3 GLU A 20 -5.268 -2.358 9.931 1.00 2.32 H new ATOM 0 HG2 GLU A 20 -5.938 -3.802 11.797 1.00 34.33 H new ATOM 0 HG3 GLU A 20 -4.451 -4.721 11.674 1.00 34.33 H new ATOM 320 N ARG A 21 -3.516 -5.782 8.171 1.00 31.23 N ATOM 321 CA ARG A 21 -2.680 -6.982 8.074 1.00 74.50 C ATOM 322 C ARG A 21 -1.272 -6.588 7.614 1.00 22.13 C ATOM 323 O ARG A 21 -1.115 -5.706 6.765 1.00 4.12 O ATOM 324 CB ARG A 21 -3.331 -8.005 7.105 1.00 22.43 C ATOM 325 CG ARG A 21 -2.560 -9.338 6.954 1.00 40.34 C ATOM 326 CD ARG A 21 -3.311 -10.367 6.087 1.00 73.42 C ATOM 327 NE ARG A 21 -2.512 -11.589 5.873 1.00 62.21 N ATOM 328 CZ ARG A 21 -2.649 -12.746 6.547 1.00 33.42 C ATOM 329 NH1 ARG A 21 -3.551 -12.875 7.508 1.00 20.22 N ATOM 330 NH2 ARG A 21 -1.864 -13.769 6.260 1.00 11.04 N ATOM 0 H ARG A 21 -3.279 -5.065 7.485 1.00 31.23 H new ATOM 0 HA ARG A 21 -2.599 -7.457 9.052 1.00 74.50 H new ATOM 0 HB2 ARG A 21 -4.340 -8.223 7.454 1.00 22.43 H new ATOM 0 HB3 ARG A 21 -3.426 -7.543 6.122 1.00 22.43 H new ATOM 0 HG2 ARG A 21 -1.584 -9.140 6.511 1.00 40.34 H new ATOM 0 HG3 ARG A 21 -2.381 -9.763 7.942 1.00 40.34 H new ATOM 0 HD2 ARG A 21 -4.254 -10.628 6.568 1.00 73.42 H new ATOM 0 HD3 ARG A 21 -3.557 -9.920 5.124 1.00 73.42 H new ATOM 0 HE ARG A 21 -1.793 -11.554 5.151 1.00 62.21 H new ATOM 0 HH11 ARG A 21 -4.156 -12.090 7.748 1.00 20.22 H new ATOM 0 HH12 ARG A 21 -3.641 -13.760 8.008 1.00 20.22 H new ATOM 0 HH21 ARG A 21 -1.157 -13.680 5.530 1.00 11.04 H new ATOM 0 HH22 ARG A 21 -1.965 -14.647 6.768 1.00 11.04 H new ATOM 344 N THR A 22 -0.258 -7.227 8.208 1.00 64.34 N ATOM 345 CA THR A 22 1.152 -6.980 7.905 1.00 21.41 C ATOM 346 C THR A 22 1.670 -8.057 6.919 1.00 60.55 C ATOM 347 O THR A 22 1.809 -9.229 7.287 1.00 34.51 O ATOM 348 CB THR A 22 1.968 -6.975 9.240 1.00 22.00 C ATOM 349 OG1 THR A 22 1.348 -6.062 10.176 1.00 5.31 O ATOM 350 CG2 THR A 22 3.428 -6.559 9.027 1.00 43.12 C ATOM 0 H THR A 22 -0.398 -7.941 8.923 1.00 64.34 H new ATOM 0 HA THR A 22 1.274 -6.008 7.426 1.00 21.41 H new ATOM 0 HB THR A 22 1.965 -7.993 9.631 1.00 22.00 H new ATOM 0 HG1 THR A 22 1.856 -6.058 11.014 1.00 5.31 H new ATOM 0 HG21 THR A 22 3.953 -6.571 9.982 1.00 43.12 H new ATOM 0 HG22 THR A 22 3.908 -7.256 8.340 1.00 43.12 H new ATOM 0 HG23 THR A 22 3.462 -5.554 8.607 1.00 43.12 H new ATOM 358 N TYR A 23 1.920 -7.648 5.661 1.00 63.11 N ATOM 359 CA TYR A 23 2.339 -8.545 4.568 1.00 65.43 C ATOM 360 C TYR A 23 3.861 -8.488 4.421 1.00 70.32 C ATOM 361 O TYR A 23 4.427 -7.404 4.271 1.00 31.04 O ATOM 362 CB TYR A 23 1.671 -8.113 3.234 1.00 52.12 C ATOM 363 CG TYR A 23 0.132 -8.067 3.276 1.00 41.03 C ATOM 364 CD1 TYR A 23 -0.545 -6.940 3.746 1.00 51.22 C ATOM 365 CD2 TYR A 23 -0.641 -9.148 2.836 1.00 43.31 C ATOM 366 CE1 TYR A 23 -1.925 -6.889 3.777 1.00 15.44 C ATOM 367 CE2 TYR A 23 -2.025 -9.099 2.866 1.00 1.10 C ATOM 368 CZ TYR A 23 -2.661 -7.965 3.335 1.00 1.24 C ATOM 369 OH TYR A 23 -4.041 -7.910 3.371 1.00 21.23 O ATOM 0 H TYR A 23 1.836 -6.674 5.372 1.00 63.11 H new ATOM 0 HA TYR A 23 2.030 -9.563 4.804 1.00 65.43 H new ATOM 0 HB2 TYR A 23 2.044 -7.127 2.958 1.00 52.12 H new ATOM 0 HB3 TYR A 23 1.980 -8.802 2.448 1.00 52.12 H new ATOM 0 HD1 TYR A 23 0.023 -6.089 4.093 1.00 51.22 H new ATOM 0 HD2 TYR A 23 -0.150 -10.036 2.467 1.00 43.31 H new ATOM 0 HE1 TYR A 23 -2.426 -6.007 4.147 1.00 15.44 H new ATOM 0 HE2 TYR A 23 -2.605 -9.944 2.524 1.00 1.10 H new ATOM 0 HH TYR A 23 -4.376 -7.540 2.527 1.00 21.23 H new ATOM 379 N GLN A 24 4.510 -9.651 4.443 1.00 24.14 N ATOM 380 CA GLN A 24 5.972 -9.756 4.349 1.00 61.21 C ATOM 381 C GLN A 24 6.370 -9.799 2.866 1.00 14.23 C ATOM 382 O GLN A 24 6.080 -10.778 2.178 1.00 52.44 O ATOM 383 CB GLN A 24 6.489 -11.015 5.119 1.00 62.10 C ATOM 384 CG GLN A 24 6.335 -10.951 6.665 1.00 21.45 C ATOM 385 CD GLN A 24 4.880 -10.944 7.155 1.00 64.11 C ATOM 386 OE1 GLN A 24 4.007 -11.576 6.557 1.00 21.34 O ATOM 387 NE2 GLN A 24 4.605 -10.240 8.240 1.00 54.12 N ATOM 0 H GLN A 24 4.039 -10.552 4.527 1.00 24.14 H new ATOM 0 HA GLN A 24 6.435 -8.887 4.816 1.00 61.21 H new ATOM 0 HB2 GLN A 24 5.954 -11.891 4.752 1.00 62.10 H new ATOM 0 HB3 GLN A 24 7.542 -11.161 4.880 1.00 62.10 H new ATOM 0 HG2 GLN A 24 6.850 -11.805 7.105 1.00 21.45 H new ATOM 0 HG3 GLN A 24 6.834 -10.054 7.031 1.00 21.45 H new ATOM 0 HE21 GLN A 24 5.346 -9.726 8.716 1.00 54.12 H new ATOM 0 HE22 GLN A 24 3.651 -10.211 8.601 1.00 54.12 H new ATOM 396 N LEU A 25 6.990 -8.713 2.373 1.00 24.54 N ATOM 397 CA LEU A 25 7.454 -8.595 0.971 1.00 64.22 C ATOM 398 C LEU A 25 8.986 -8.531 0.952 1.00 43.01 C ATOM 399 O LEU A 25 9.579 -7.755 1.689 1.00 65.10 O ATOM 400 CB LEU A 25 6.851 -7.327 0.287 1.00 12.20 C ATOM 401 CG LEU A 25 5.288 -7.244 0.241 1.00 62.11 C ATOM 402 CD1 LEU A 25 4.814 -5.994 -0.537 1.00 41.32 C ATOM 403 CD2 LEU A 25 4.670 -8.532 -0.353 1.00 62.41 C ATOM 0 H LEU A 25 7.187 -7.885 2.936 1.00 24.54 H new ATOM 0 HA LEU A 25 7.116 -9.467 0.412 1.00 64.22 H new ATOM 0 HB2 LEU A 25 7.226 -6.446 0.808 1.00 12.20 H new ATOM 0 HB3 LEU A 25 7.227 -7.277 -0.735 1.00 12.20 H new ATOM 0 HG LEU A 25 4.938 -7.151 1.269 1.00 62.11 H new ATOM 0 HD11 LEU A 25 3.724 -5.966 -0.551 1.00 41.32 H new ATOM 0 HD12 LEU A 25 5.194 -5.096 -0.050 1.00 41.32 H new ATOM 0 HD13 LEU A 25 5.189 -6.038 -1.560 1.00 41.32 H new ATOM 0 HD21 LEU A 25 3.584 -8.440 -0.370 1.00 62.41 H new ATOM 0 HD22 LEU A 25 5.038 -8.677 -1.369 1.00 62.41 H new ATOM 0 HD23 LEU A 25 4.952 -9.387 0.261 1.00 62.41 H new ATOM 415 N TYR A 26 9.619 -9.354 0.111 1.00 74.24 N ATOM 416 CA TYR A 26 11.090 -9.441 0.014 1.00 13.35 C ATOM 417 C TYR A 26 11.503 -9.122 -1.434 1.00 45.24 C ATOM 418 O TYR A 26 11.108 -9.835 -2.359 1.00 23.44 O ATOM 419 CB TYR A 26 11.554 -10.870 0.439 1.00 4.31 C ATOM 420 CG TYR A 26 13.074 -11.041 0.685 1.00 21.13 C ATOM 421 CD1 TYR A 26 14.008 -10.924 -0.356 1.00 32.21 C ATOM 422 CD2 TYR A 26 13.574 -11.340 1.961 1.00 20.34 C ATOM 423 CE1 TYR A 26 15.359 -11.095 -0.133 1.00 43.53 C ATOM 424 CE2 TYR A 26 14.927 -11.519 2.179 1.00 24.32 C ATOM 425 CZ TYR A 26 15.813 -11.396 1.136 1.00 70.51 C ATOM 426 OH TYR A 26 17.163 -11.591 1.357 1.00 42.21 O ATOM 0 H TYR A 26 9.130 -9.983 -0.526 1.00 74.24 H new ATOM 0 HA TYR A 26 11.567 -8.723 0.681 1.00 13.35 H new ATOM 0 HB2 TYR A 26 11.024 -11.147 1.350 1.00 4.31 H new ATOM 0 HB3 TYR A 26 11.249 -11.575 -0.334 1.00 4.31 H new ATOM 0 HD1 TYR A 26 13.662 -10.695 -1.353 1.00 32.21 H new ATOM 0 HD2 TYR A 26 12.888 -11.432 2.790 1.00 20.34 H new ATOM 0 HE1 TYR A 26 16.059 -10.994 -0.949 1.00 43.53 H new ATOM 0 HE2 TYR A 26 15.288 -11.756 3.169 1.00 24.32 H new ATOM 0 HH TYR A 26 17.314 -11.793 2.304 1.00 42.21 H new ATOM 436 N ALA A 27 12.303 -8.055 -1.618 1.00 21.34 N ATOM 437 CA ALA A 27 12.826 -7.656 -2.939 1.00 3.35 C ATOM 438 C ALA A 27 14.191 -6.981 -2.800 1.00 71.11 C ATOM 439 O ALA A 27 14.620 -6.604 -1.699 1.00 30.42 O ATOM 440 CB ALA A 27 11.835 -6.733 -3.671 1.00 2.23 C ATOM 0 H ALA A 27 12.605 -7.446 -0.857 1.00 21.34 H new ATOM 0 HA ALA A 27 12.950 -8.559 -3.537 1.00 3.35 H new ATOM 0 HB1 ALA A 27 12.246 -6.455 -4.641 1.00 2.23 H new ATOM 0 HB2 ALA A 27 10.889 -7.255 -3.814 1.00 2.23 H new ATOM 0 HB3 ALA A 27 11.667 -5.835 -3.077 1.00 2.23 H new ATOM 446 N VAL A 28 14.863 -6.854 -3.948 1.00 52.53 N ATOM 447 CA VAL A 28 16.158 -6.173 -4.091 1.00 22.45 C ATOM 448 C VAL A 28 15.933 -4.817 -4.797 1.00 65.23 C ATOM 449 O VAL A 28 16.250 -3.749 -4.264 1.00 0.34 O ATOM 450 CB VAL A 28 17.148 -7.092 -4.917 1.00 54.14 C ATOM 451 CG1 VAL A 28 18.406 -6.332 -5.385 1.00 63.45 C ATOM 452 CG2 VAL A 28 17.527 -8.375 -4.124 1.00 11.20 C ATOM 0 H VAL A 28 14.514 -7.232 -4.829 1.00 52.53 H new ATOM 0 HA VAL A 28 16.603 -5.989 -3.113 1.00 22.45 H new ATOM 0 HB VAL A 28 16.612 -7.398 -5.816 1.00 54.14 H new ATOM 0 HG11 VAL A 28 19.051 -7.008 -5.946 1.00 63.45 H new ATOM 0 HG12 VAL A 28 18.111 -5.498 -6.022 1.00 63.45 H new ATOM 0 HG13 VAL A 28 18.946 -5.952 -4.517 1.00 63.45 H new ATOM 0 HG21 VAL A 28 18.208 -8.983 -4.720 1.00 11.20 H new ATOM 0 HG22 VAL A 28 18.014 -8.095 -3.190 1.00 11.20 H new ATOM 0 HG23 VAL A 28 16.625 -8.947 -3.906 1.00 11.20 H new ATOM 462 N ARG A 29 15.350 -4.904 -5.998 1.00 34.51 N ATOM 463 CA ARG A 29 15.037 -3.761 -6.861 1.00 14.01 C ATOM 464 C ARG A 29 13.637 -3.202 -6.511 1.00 72.44 C ATOM 465 O ARG A 29 12.786 -3.915 -5.954 1.00 13.40 O ATOM 466 CB ARG A 29 15.100 -4.228 -8.345 1.00 74.11 C ATOM 467 CG ARG A 29 16.479 -4.763 -8.812 1.00 31.34 C ATOM 468 CD ARG A 29 16.435 -5.424 -10.213 1.00 33.31 C ATOM 469 NE ARG A 29 15.946 -4.515 -11.272 1.00 21.33 N ATOM 470 CZ ARG A 29 15.931 -4.792 -12.598 1.00 40.52 C ATOM 471 NH1 ARG A 29 16.376 -5.957 -13.070 1.00 43.23 N ATOM 472 NH2 ARG A 29 15.449 -3.892 -13.450 1.00 3.24 N ATOM 0 H ARG A 29 15.075 -5.797 -6.407 1.00 34.51 H new ATOM 0 HA ARG A 29 15.761 -2.961 -6.707 1.00 14.01 H new ATOM 0 HB2 ARG A 29 14.355 -5.010 -8.495 1.00 74.11 H new ATOM 0 HB3 ARG A 29 14.817 -3.392 -8.984 1.00 74.11 H new ATOM 0 HG2 ARG A 29 17.194 -3.941 -8.828 1.00 31.34 H new ATOM 0 HG3 ARG A 29 16.844 -5.489 -8.086 1.00 31.34 H new ATOM 0 HD2 ARG A 29 17.434 -5.772 -10.475 1.00 33.31 H new ATOM 0 HD3 ARG A 29 15.792 -6.303 -10.173 1.00 33.31 H new ATOM 0 HE ARG A 29 15.591 -3.605 -10.980 1.00 21.33 H new ATOM 0 HH11 ARG A 29 16.738 -6.663 -12.428 1.00 43.23 H new ATOM 0 HH12 ARG A 29 16.355 -6.143 -14.073 1.00 43.23 H new ATOM 0 HH21 ARG A 29 15.094 -3.001 -13.104 1.00 3.24 H new ATOM 0 HH22 ARG A 29 15.434 -4.093 -14.450 1.00 3.24 H new ATOM 486 N ASP A 30 13.419 -1.928 -6.881 1.00 34.00 N ATOM 487 CA ASP A 30 12.206 -1.138 -6.517 1.00 72.53 C ATOM 488 C ASP A 30 11.010 -1.551 -7.386 1.00 53.42 C ATOM 489 O ASP A 30 9.862 -1.594 -6.921 1.00 3.45 O ATOM 490 CB ASP A 30 12.483 0.392 -6.667 1.00 53.55 C ATOM 491 CG ASP A 30 13.867 0.804 -6.137 1.00 21.22 C ATOM 492 OD1 ASP A 30 14.188 0.504 -4.969 1.00 63.25 O ATOM 493 OD2 ASP A 30 14.657 1.392 -6.902 1.00 24.44 O ATOM 0 H ASP A 30 14.083 -1.402 -7.449 1.00 34.00 H new ATOM 0 HA ASP A 30 11.964 -1.346 -5.475 1.00 72.53 H new ATOM 0 HB2 ASP A 30 12.405 0.669 -7.718 1.00 53.55 H new ATOM 0 HB3 ASP A 30 11.714 0.950 -6.132 1.00 53.55 H new ATOM 498 N GLU A 31 11.311 -1.840 -8.661 1.00 72.25 N ATOM 499 CA GLU A 31 10.343 -2.376 -9.633 1.00 13.01 C ATOM 500 C GLU A 31 9.846 -3.776 -9.211 1.00 3.12 C ATOM 501 O GLU A 31 8.695 -4.132 -9.490 1.00 25.35 O ATOM 502 CB GLU A 31 10.943 -2.417 -11.075 1.00 3.10 C ATOM 503 CG GLU A 31 12.350 -3.071 -11.216 1.00 14.15 C ATOM 504 CD GLU A 31 13.523 -2.065 -11.136 1.00 22.43 C ATOM 505 OE1 GLU A 31 13.941 -1.686 -10.024 1.00 21.32 O ATOM 506 OE2 GLU A 31 14.044 -1.659 -12.189 1.00 44.22 O ATOM 0 H GLU A 31 12.244 -1.707 -9.052 1.00 72.25 H new ATOM 0 HA GLU A 31 9.488 -1.700 -9.645 1.00 13.01 H new ATOM 0 HB2 GLU A 31 10.249 -2.956 -11.720 1.00 3.10 H new ATOM 0 HB3 GLU A 31 11.001 -1.396 -11.451 1.00 3.10 H new ATOM 0 HG2 GLU A 31 12.472 -3.819 -10.432 1.00 14.15 H new ATOM 0 HG3 GLU A 31 12.401 -3.597 -12.169 1.00 14.15 H new ATOM 513 N GLU A 32 10.709 -4.557 -8.512 1.00 13.23 N ATOM 514 CA GLU A 32 10.316 -5.873 -7.971 1.00 4.44 C ATOM 515 C GLU A 32 9.312 -5.709 -6.820 1.00 22.21 C ATOM 516 O GLU A 32 8.577 -6.632 -6.517 1.00 35.03 O ATOM 517 CB GLU A 32 11.549 -6.683 -7.472 1.00 13.32 C ATOM 518 CG GLU A 32 12.627 -6.973 -8.537 1.00 2.14 C ATOM 519 CD GLU A 32 13.729 -7.919 -8.033 1.00 61.13 C ATOM 520 OE1 GLU A 32 14.433 -7.565 -7.070 1.00 14.11 O ATOM 521 OE2 GLU A 32 13.888 -9.030 -8.589 1.00 70.54 O ATOM 0 H GLU A 32 11.675 -4.295 -8.313 1.00 13.23 H new ATOM 0 HA GLU A 32 9.848 -6.427 -8.785 1.00 4.44 H new ATOM 0 HB2 GLU A 32 12.012 -6.137 -6.650 1.00 13.32 H new ATOM 0 HB3 GLU A 32 11.199 -7.632 -7.067 1.00 13.32 H new ATOM 0 HG2 GLU A 32 12.153 -7.411 -9.416 1.00 2.14 H new ATOM 0 HG3 GLU A 32 13.079 -6.033 -8.854 1.00 2.14 H new ATOM 528 N LEU A 33 9.303 -4.537 -6.170 1.00 23.40 N ATOM 529 CA LEU A 33 8.357 -4.239 -5.073 1.00 70.42 C ATOM 530 C LEU A 33 7.009 -3.739 -5.653 1.00 75.20 C ATOM 531 O LEU A 33 5.954 -4.064 -5.093 1.00 55.13 O ATOM 532 CB LEU A 33 8.982 -3.208 -4.070 1.00 52.33 C ATOM 533 CG LEU A 33 8.719 -3.467 -2.537 1.00 51.43 C ATOM 534 CD1 LEU A 33 7.224 -3.391 -2.157 1.00 54.31 C ATOM 535 CD2 LEU A 33 9.325 -4.819 -2.076 1.00 5.50 C ATOM 0 H LEU A 33 9.943 -3.772 -6.383 1.00 23.40 H new ATOM 0 HA LEU A 33 8.159 -5.153 -4.514 1.00 70.42 H new ATOM 0 HB2 LEU A 33 10.060 -3.185 -4.232 1.00 52.33 H new ATOM 0 HB3 LEU A 33 8.602 -2.217 -4.318 1.00 52.33 H new ATOM 0 HG LEU A 33 9.224 -2.658 -2.009 1.00 51.43 H new ATOM 0 HD11 LEU A 33 7.110 -3.578 -1.089 1.00 54.31 H new ATOM 0 HD12 LEU A 33 6.838 -2.400 -2.395 1.00 54.31 H new ATOM 0 HD13 LEU A 33 6.667 -4.141 -2.718 1.00 54.31 H new ATOM 0 HD21 LEU A 33 9.125 -4.964 -1.014 1.00 5.50 H new ATOM 0 HD22 LEU A 33 8.875 -5.632 -2.645 1.00 5.50 H new ATOM 0 HD23 LEU A 33 10.402 -4.811 -2.244 1.00 5.50 H new ATOM 547 N LYS A 34 7.064 -2.989 -6.786 1.00 23.41 N ATOM 548 CA LYS A 34 5.857 -2.404 -7.432 1.00 3.10 C ATOM 549 C LYS A 34 4.781 -3.469 -7.718 1.00 33.24 C ATOM 550 O LYS A 34 3.627 -3.309 -7.299 1.00 62.23 O ATOM 551 CB LYS A 34 6.189 -1.658 -8.758 1.00 21.23 C ATOM 552 CG LYS A 34 6.988 -0.346 -8.603 1.00 42.25 C ATOM 553 CD LYS A 34 6.880 0.554 -9.861 1.00 5.44 C ATOM 554 CE LYS A 34 5.434 1.057 -10.111 1.00 34.41 C ATOM 555 NZ LYS A 34 5.245 1.615 -11.482 1.00 4.30 N ATOM 0 H LYS A 34 7.935 -2.775 -7.272 1.00 23.41 H new ATOM 0 HA LYS A 34 5.469 -1.683 -6.713 1.00 3.10 H new ATOM 0 HB2 LYS A 34 6.754 -2.332 -9.402 1.00 21.23 H new ATOM 0 HB3 LYS A 34 5.254 -1.435 -9.272 1.00 21.23 H new ATOM 0 HG2 LYS A 34 6.622 0.201 -7.734 1.00 42.25 H new ATOM 0 HG3 LYS A 34 8.036 -0.580 -8.414 1.00 42.25 H new ATOM 0 HD2 LYS A 34 7.545 1.411 -9.749 1.00 5.44 H new ATOM 0 HD3 LYS A 34 7.223 -0.003 -10.733 1.00 5.44 H new ATOM 0 HE2 LYS A 34 4.736 0.233 -9.960 1.00 34.41 H new ATOM 0 HE3 LYS A 34 5.188 1.822 -9.375 1.00 34.41 H new ATOM 0 HZ1 LYS A 34 4.232 1.620 -11.718 1.00 4.30 H new ATOM 0 HZ2 LYS A 34 5.613 2.587 -11.515 1.00 4.30 H new ATOM 0 HZ3 LYS A 34 5.758 1.027 -12.170 1.00 4.30 H new ATOM 569 N GLU A 35 5.197 -4.543 -8.424 1.00 44.11 N ATOM 570 CA GLU A 35 4.342 -5.703 -8.736 1.00 30.32 C ATOM 571 C GLU A 35 3.652 -6.252 -7.475 1.00 65.22 C ATOM 572 O GLU A 35 2.443 -6.429 -7.473 1.00 35.30 O ATOM 573 CB GLU A 35 5.167 -6.831 -9.434 1.00 63.31 C ATOM 574 CG GLU A 35 6.480 -7.205 -8.703 1.00 62.42 C ATOM 575 CD GLU A 35 7.039 -8.595 -9.043 1.00 10.02 C ATOM 576 OE1 GLU A 35 7.268 -8.878 -10.241 1.00 31.14 O ATOM 577 OE2 GLU A 35 7.243 -9.422 -8.121 1.00 11.51 O ATOM 0 H GLU A 35 6.143 -4.627 -8.795 1.00 44.11 H new ATOM 0 HA GLU A 35 3.568 -5.360 -9.422 1.00 30.32 H new ATOM 0 HB2 GLU A 35 4.545 -7.722 -9.517 1.00 63.31 H new ATOM 0 HB3 GLU A 35 5.407 -6.514 -10.449 1.00 63.31 H new ATOM 0 HG2 GLU A 35 7.237 -6.457 -8.941 1.00 62.42 H new ATOM 0 HG3 GLU A 35 6.307 -7.152 -7.628 1.00 62.42 H new ATOM 584 N LYS A 36 4.435 -6.431 -6.392 1.00 1.21 N ATOM 585 CA LYS A 36 3.968 -7.078 -5.148 1.00 41.42 C ATOM 586 C LYS A 36 2.857 -6.264 -4.479 1.00 51.14 C ATOM 587 O LYS A 36 1.913 -6.831 -3.936 1.00 35.05 O ATOM 588 CB LYS A 36 5.144 -7.267 -4.160 1.00 54.25 C ATOM 589 CG LYS A 36 6.335 -8.023 -4.765 1.00 12.33 C ATOM 590 CD LYS A 36 7.453 -8.330 -3.746 1.00 72.23 C ATOM 591 CE LYS A 36 8.698 -8.933 -4.416 1.00 4.10 C ATOM 592 NZ LYS A 36 8.370 -10.055 -5.341 1.00 60.23 N ATOM 0 H LYS A 36 5.409 -6.131 -6.355 1.00 1.21 H new ATOM 0 HA LYS A 36 3.564 -8.054 -5.417 1.00 41.42 H new ATOM 0 HB2 LYS A 36 5.481 -6.289 -3.817 1.00 54.25 H new ATOM 0 HB3 LYS A 36 4.788 -7.807 -3.283 1.00 54.25 H new ATOM 0 HG2 LYS A 36 5.980 -8.959 -5.195 1.00 12.33 H new ATOM 0 HG3 LYS A 36 6.751 -7.434 -5.582 1.00 12.33 H new ATOM 0 HD2 LYS A 36 7.730 -7.413 -3.226 1.00 72.23 H new ATOM 0 HD3 LYS A 36 7.076 -9.022 -2.993 1.00 72.23 H new ATOM 0 HE2 LYS A 36 9.221 -8.153 -4.969 1.00 4.10 H new ATOM 0 HE3 LYS A 36 9.382 -9.291 -3.646 1.00 4.10 H new ATOM 0 HZ1 LYS A 36 9.234 -10.595 -5.552 1.00 60.23 H new ATOM 0 HZ2 LYS A 36 7.671 -10.681 -4.893 1.00 60.23 H new ATOM 0 HZ3 LYS A 36 7.976 -9.673 -6.224 1.00 60.23 H new ATOM 606 N LEU A 37 3.002 -4.932 -4.536 1.00 53.13 N ATOM 607 CA LEU A 37 1.987 -3.991 -4.037 1.00 15.24 C ATOM 608 C LEU A 37 0.677 -4.151 -4.818 1.00 74.21 C ATOM 609 O LEU A 37 -0.378 -4.341 -4.219 1.00 4.31 O ATOM 610 CB LEU A 37 2.528 -2.549 -4.131 1.00 50.50 C ATOM 611 CG LEU A 37 3.793 -2.279 -3.267 1.00 34.00 C ATOM 612 CD1 LEU A 37 4.409 -0.915 -3.600 1.00 73.24 C ATOM 613 CD2 LEU A 37 3.464 -2.404 -1.760 1.00 11.13 C ATOM 0 H LEU A 37 3.826 -4.476 -4.929 1.00 53.13 H new ATOM 0 HA LEU A 37 1.773 -4.210 -2.991 1.00 15.24 H new ATOM 0 HB2 LEU A 37 2.761 -2.329 -5.173 1.00 50.50 H new ATOM 0 HB3 LEU A 37 1.741 -1.858 -3.827 1.00 50.50 H new ATOM 0 HG LEU A 37 4.538 -3.037 -3.507 1.00 34.00 H new ATOM 0 HD11 LEU A 37 5.291 -0.753 -2.981 1.00 73.24 H new ATOM 0 HD12 LEU A 37 4.694 -0.892 -4.652 1.00 73.24 H new ATOM 0 HD13 LEU A 37 3.680 -0.129 -3.404 1.00 73.24 H new ATOM 0 HD21 LEU A 37 4.363 -2.211 -1.174 1.00 11.13 H new ATOM 0 HD22 LEU A 37 2.695 -1.679 -1.494 1.00 11.13 H new ATOM 0 HD23 LEU A 37 3.102 -3.410 -1.549 1.00 11.13 H new ATOM 625 N LYS A 38 0.779 -4.130 -6.164 1.00 41.13 N ATOM 626 CA LYS A 38 -0.371 -4.323 -7.081 1.00 74.21 C ATOM 627 C LYS A 38 -1.045 -5.699 -6.865 1.00 43.12 C ATOM 628 O LYS A 38 -2.270 -5.813 -6.971 1.00 74.25 O ATOM 629 CB LYS A 38 0.125 -4.165 -8.545 1.00 54.20 C ATOM 630 CG LYS A 38 0.792 -2.799 -8.822 1.00 23.01 C ATOM 631 CD LYS A 38 1.511 -2.689 -10.185 1.00 43.15 C ATOM 632 CE LYS A 38 0.563 -2.520 -11.386 1.00 53.53 C ATOM 633 NZ LYS A 38 -0.237 -3.740 -11.678 1.00 73.12 N ATOM 0 H LYS A 38 1.663 -3.978 -6.650 1.00 41.13 H new ATOM 0 HA LYS A 38 -1.128 -3.568 -6.869 1.00 74.21 H new ATOM 0 HB2 LYS A 38 0.836 -4.960 -8.768 1.00 54.20 H new ATOM 0 HB3 LYS A 38 -0.719 -4.293 -9.223 1.00 54.20 H new ATOM 0 HG2 LYS A 38 0.030 -2.021 -8.766 1.00 23.01 H new ATOM 0 HG3 LYS A 38 1.513 -2.596 -8.030 1.00 23.01 H new ATOM 0 HD2 LYS A 38 2.196 -1.841 -10.155 1.00 43.15 H new ATOM 0 HD3 LYS A 38 2.116 -3.583 -10.337 1.00 43.15 H new ATOM 0 HE2 LYS A 38 -0.114 -1.688 -11.192 1.00 53.53 H new ATOM 0 HE3 LYS A 38 1.147 -2.257 -12.268 1.00 53.53 H new ATOM 0 HZ1 LYS A 38 -0.343 -3.848 -12.707 1.00 73.12 H new ATOM 0 HZ2 LYS A 38 0.248 -4.574 -11.291 1.00 73.12 H new ATOM 0 HZ3 LYS A 38 -1.176 -3.652 -11.240 1.00 73.12 H new ATOM 647 N LYS A 39 -0.225 -6.723 -6.533 1.00 31.54 N ATOM 648 CA LYS A 39 -0.719 -8.076 -6.213 1.00 70.21 C ATOM 649 C LYS A 39 -1.557 -8.059 -4.923 1.00 11.15 C ATOM 650 O LYS A 39 -2.753 -8.325 -4.968 1.00 40.22 O ATOM 651 CB LYS A 39 0.438 -9.108 -6.076 1.00 62.14 C ATOM 652 CG LYS A 39 1.306 -9.312 -7.338 1.00 25.13 C ATOM 653 CD LYS A 39 0.516 -9.705 -8.606 1.00 14.44 C ATOM 654 CE LYS A 39 -0.156 -11.079 -8.494 1.00 51.41 C ATOM 655 NZ LYS A 39 -0.893 -11.425 -9.732 1.00 73.03 N ATOM 0 H LYS A 39 0.790 -6.633 -6.481 1.00 31.54 H new ATOM 0 HA LYS A 39 -1.347 -8.388 -7.048 1.00 70.21 H new ATOM 0 HB2 LYS A 39 1.086 -8.793 -5.258 1.00 62.14 H new ATOM 0 HB3 LYS A 39 0.011 -10.070 -5.792 1.00 62.14 H new ATOM 0 HG2 LYS A 39 1.854 -8.391 -7.538 1.00 25.13 H new ATOM 0 HG3 LYS A 39 2.046 -10.086 -7.133 1.00 25.13 H new ATOM 0 HD2 LYS A 39 -0.245 -8.950 -8.801 1.00 14.44 H new ATOM 0 HD3 LYS A 39 1.191 -9.706 -9.462 1.00 14.44 H new ATOM 0 HE2 LYS A 39 0.599 -11.839 -8.294 1.00 51.41 H new ATOM 0 HE3 LYS A 39 -0.843 -11.082 -7.648 1.00 51.41 H new ATOM 0 HZ1 LYS A 39 -1.335 -12.360 -9.623 1.00 73.03 H new ATOM 0 HZ2 LYS A 39 -1.629 -10.712 -9.908 1.00 73.03 H new ATOM 0 HZ3 LYS A 39 -0.232 -11.446 -10.535 1.00 73.03 H new ATOM 669 N VAL A 40 -0.906 -7.664 -3.812 1.00 0.21 N ATOM 670 CA VAL A 40 -1.487 -7.668 -2.447 1.00 4.42 C ATOM 671 C VAL A 40 -2.770 -6.814 -2.375 1.00 15.01 C ATOM 672 O VAL A 40 -3.750 -7.204 -1.724 1.00 54.15 O ATOM 673 CB VAL A 40 -0.415 -7.160 -1.399 1.00 32.11 C ATOM 674 CG1 VAL A 40 -1.034 -6.859 -0.016 1.00 75.32 C ATOM 675 CG2 VAL A 40 0.748 -8.179 -1.265 1.00 10.34 C ATOM 0 H VAL A 40 0.056 -7.326 -3.834 1.00 0.21 H new ATOM 0 HA VAL A 40 -1.764 -8.693 -2.200 1.00 4.42 H new ATOM 0 HB VAL A 40 -0.020 -6.219 -1.783 1.00 32.11 H new ATOM 0 HG11 VAL A 40 -0.255 -6.514 0.664 1.00 75.32 H new ATOM 0 HG12 VAL A 40 -1.795 -6.085 -0.119 1.00 75.32 H new ATOM 0 HG13 VAL A 40 -1.490 -7.765 0.384 1.00 75.32 H new ATOM 0 HG21 VAL A 40 1.473 -7.810 -0.540 1.00 10.34 H new ATOM 0 HG22 VAL A 40 0.354 -9.138 -0.929 1.00 10.34 H new ATOM 0 HG23 VAL A 40 1.234 -8.305 -2.232 1.00 10.34 H new ATOM 685 N LEU A 41 -2.745 -5.663 -3.070 1.00 1.52 N ATOM 686 CA LEU A 41 -3.905 -4.770 -3.185 1.00 3.40 C ATOM 687 C LEU A 41 -5.052 -5.479 -3.925 1.00 20.11 C ATOM 688 O LEU A 41 -6.103 -5.666 -3.341 1.00 21.35 O ATOM 689 CB LEU A 41 -3.501 -3.427 -3.858 1.00 71.22 C ATOM 690 CG LEU A 41 -2.644 -2.470 -2.955 1.00 65.32 C ATOM 691 CD1 LEU A 41 -1.993 -1.349 -3.783 1.00 75.04 C ATOM 692 CD2 LEU A 41 -3.494 -1.885 -1.795 1.00 44.25 C ATOM 0 H LEU A 41 -1.919 -5.328 -3.566 1.00 1.52 H new ATOM 0 HA LEU A 41 -4.268 -4.524 -2.187 1.00 3.40 H new ATOM 0 HB2 LEU A 41 -2.939 -3.646 -4.766 1.00 71.22 H new ATOM 0 HB3 LEU A 41 -4.407 -2.902 -4.162 1.00 71.22 H new ATOM 0 HG LEU A 41 -1.842 -3.064 -2.517 1.00 65.32 H new ATOM 0 HD11 LEU A 41 -1.407 -0.705 -3.127 1.00 75.04 H new ATOM 0 HD12 LEU A 41 -1.341 -1.787 -4.539 1.00 75.04 H new ATOM 0 HD13 LEU A 41 -2.769 -0.760 -4.271 1.00 75.04 H new ATOM 0 HD21 LEU A 41 -2.875 -1.226 -1.186 1.00 44.25 H new ATOM 0 HD22 LEU A 41 -4.330 -1.319 -2.206 1.00 44.25 H new ATOM 0 HD23 LEU A 41 -3.875 -2.698 -1.177 1.00 44.25 H new ATOM 704 N ASN A 42 -4.810 -5.958 -5.166 1.00 62.45 N ATOM 705 CA ASN A 42 -5.853 -6.652 -5.982 1.00 32.42 C ATOM 706 C ASN A 42 -6.388 -7.931 -5.298 1.00 75.31 C ATOM 707 O ASN A 42 -7.537 -8.335 -5.545 1.00 24.03 O ATOM 708 CB ASN A 42 -5.324 -6.981 -7.408 1.00 20.12 C ATOM 709 CG ASN A 42 -5.191 -5.756 -8.327 1.00 72.33 C ATOM 710 OD1 ASN A 42 -5.414 -5.858 -9.527 1.00 22.41 O ATOM 711 ND2 ASN A 42 -4.809 -4.595 -7.791 1.00 13.01 N ATOM 0 H ASN A 42 -3.905 -5.881 -5.631 1.00 62.45 H new ATOM 0 HA ASN A 42 -6.689 -5.958 -6.069 1.00 32.42 H new ATOM 0 HB2 ASN A 42 -4.350 -7.463 -7.320 1.00 20.12 H new ATOM 0 HB3 ASN A 42 -5.995 -7.701 -7.876 1.00 20.12 H new ATOM 0 HD21 ASN A 42 -4.698 -3.772 -8.383 1.00 13.01 H new ATOM 0 HD22 ASN A 42 -4.628 -4.531 -6.789 1.00 13.01 H new ATOM 718 N GLU A 43 -5.558 -8.547 -4.433 1.00 52.44 N ATOM 719 CA GLU A 43 -5.971 -9.708 -3.629 1.00 11.33 C ATOM 720 C GLU A 43 -6.964 -9.286 -2.538 1.00 12.42 C ATOM 721 O GLU A 43 -8.058 -9.853 -2.421 1.00 55.40 O ATOM 722 CB GLU A 43 -4.749 -10.429 -2.993 1.00 53.22 C ATOM 723 CG GLU A 43 -3.805 -11.130 -3.993 1.00 50.55 C ATOM 724 CD GLU A 43 -4.494 -12.195 -4.865 1.00 61.24 C ATOM 725 OE1 GLU A 43 -4.769 -13.303 -4.359 1.00 63.30 O ATOM 726 OE2 GLU A 43 -4.764 -11.940 -6.059 1.00 73.22 O ATOM 0 H GLU A 43 -4.593 -8.256 -4.275 1.00 52.44 H new ATOM 0 HA GLU A 43 -6.462 -10.411 -4.301 1.00 11.33 H new ATOM 0 HB2 GLU A 43 -4.173 -9.699 -2.424 1.00 53.22 H new ATOM 0 HB3 GLU A 43 -5.114 -11.170 -2.282 1.00 53.22 H new ATOM 0 HG2 GLU A 43 -3.357 -10.378 -4.643 1.00 50.55 H new ATOM 0 HG3 GLU A 43 -2.991 -11.599 -3.440 1.00 50.55 H new ATOM 733 N ARG A 44 -6.572 -8.263 -1.766 1.00 20.30 N ATOM 734 CA ARG A 44 -7.310 -7.823 -0.580 1.00 31.31 C ATOM 735 C ARG A 44 -8.571 -7.014 -0.947 1.00 63.51 C ATOM 736 O ARG A 44 -9.577 -7.099 -0.248 1.00 53.32 O ATOM 737 CB ARG A 44 -6.378 -6.994 0.353 1.00 55.20 C ATOM 738 CG ARG A 44 -6.965 -6.742 1.762 1.00 0.54 C ATOM 739 CD ARG A 44 -7.241 -8.061 2.521 1.00 73.14 C ATOM 740 NE ARG A 44 -8.013 -7.853 3.753 1.00 5.40 N ATOM 741 CZ ARG A 44 -7.567 -8.043 5.002 1.00 32.55 C ATOM 742 NH1 ARG A 44 -6.316 -8.427 5.240 1.00 22.34 N ATOM 743 NH2 ARG A 44 -8.401 -7.890 6.009 1.00 4.40 N ATOM 0 H ARG A 44 -5.730 -7.717 -1.950 1.00 20.30 H new ATOM 0 HA ARG A 44 -7.646 -8.715 -0.051 1.00 31.31 H new ATOM 0 HB2 ARG A 44 -5.426 -7.515 0.455 1.00 55.20 H new ATOM 0 HB3 ARG A 44 -6.168 -6.034 -0.119 1.00 55.20 H new ATOM 0 HG2 ARG A 44 -6.272 -6.130 2.339 1.00 0.54 H new ATOM 0 HG3 ARG A 44 -7.892 -6.175 1.672 1.00 0.54 H new ATOM 0 HD2 ARG A 44 -7.783 -8.745 1.868 1.00 73.14 H new ATOM 0 HD3 ARG A 44 -6.293 -8.539 2.767 1.00 73.14 H new ATOM 0 HE ARG A 44 -8.976 -7.535 3.648 1.00 5.40 H new ATOM 0 HH11 ARG A 44 -5.674 -8.583 4.463 1.00 22.34 H new ATOM 0 HH12 ARG A 44 -5.999 -8.565 6.199 1.00 22.34 H new ATOM 0 HH21 ARG A 44 -9.371 -7.630 5.833 1.00 4.40 H new ATOM 0 HH22 ARG A 44 -8.077 -8.031 6.966 1.00 4.40 H new ATOM 757 N MET A 45 -8.516 -6.266 -2.061 1.00 71.21 N ATOM 758 CA MET A 45 -9.585 -5.323 -2.456 1.00 12.21 C ATOM 759 C MET A 45 -10.770 -6.045 -3.133 1.00 12.53 C ATOM 760 O MET A 45 -11.845 -5.445 -3.299 1.00 55.22 O ATOM 761 CB MET A 45 -9.030 -4.202 -3.383 1.00 32.12 C ATOM 762 CG MET A 45 -7.967 -3.285 -2.736 1.00 64.32 C ATOM 763 SD MET A 45 -8.554 -2.417 -1.271 1.00 4.55 S ATOM 764 CE MET A 45 -9.847 -1.387 -1.955 1.00 55.10 C ATOM 0 H MET A 45 -7.733 -6.295 -2.714 1.00 71.21 H new ATOM 0 HA MET A 45 -9.957 -4.863 -1.540 1.00 12.21 H new ATOM 0 HB2 MET A 45 -8.597 -4.666 -4.269 1.00 32.12 H new ATOM 0 HB3 MET A 45 -9.863 -3.585 -3.721 1.00 32.12 H new ATOM 0 HG2 MET A 45 -7.097 -3.885 -2.468 1.00 64.32 H new ATOM 0 HG3 MET A 45 -7.635 -2.553 -3.472 1.00 64.32 H new ATOM 0 HE1 MET A 45 -10.369 -0.874 -1.147 1.00 55.10 H new ATOM 0 HE2 MET A 45 -9.408 -0.651 -2.628 1.00 55.10 H new ATOM 0 HE3 MET A 45 -10.553 -2.008 -2.507 1.00 55.10 H new ATOM 774 N ASP A 46 -10.579 -7.329 -3.512 1.00 14.11 N ATOM 775 CA ASP A 46 -11.622 -8.105 -4.208 1.00 53.33 C ATOM 776 C ASP A 46 -12.814 -8.463 -3.252 1.00 32.52 C ATOM 777 O ASP A 46 -13.966 -8.165 -3.604 1.00 33.03 O ATOM 778 CB ASP A 46 -11.029 -9.345 -4.954 1.00 51.05 C ATOM 779 CG ASP A 46 -11.995 -9.926 -6.010 1.00 51.24 C ATOM 780 OD1 ASP A 46 -12.963 -10.611 -5.635 1.00 62.30 O ATOM 781 OD2 ASP A 46 -11.794 -9.690 -7.228 1.00 53.11 O ATOM 0 H ASP A 46 -9.715 -7.845 -3.347 1.00 14.11 H new ATOM 0 HA ASP A 46 -12.043 -7.468 -4.986 1.00 53.33 H new ATOM 0 HB2 ASP A 46 -10.096 -9.059 -5.440 1.00 51.05 H new ATOM 0 HB3 ASP A 46 -10.785 -10.119 -4.226 1.00 51.05 H new ATOM 786 N PRO A 47 -12.589 -9.068 -2.025 1.00 33.43 N ATOM 787 CA PRO A 47 -13.695 -9.291 -1.031 1.00 52.11 C ATOM 788 C PRO A 47 -14.358 -7.985 -0.525 1.00 3.34 C ATOM 789 O PRO A 47 -15.505 -8.010 -0.073 1.00 63.12 O ATOM 790 CB PRO A 47 -12.996 -10.052 0.127 1.00 13.14 C ATOM 791 CG PRO A 47 -11.540 -9.736 -0.032 1.00 1.21 C ATOM 792 CD PRO A 47 -11.310 -9.645 -1.522 1.00 12.22 C ATOM 0 HA PRO A 47 -14.523 -9.838 -1.481 1.00 52.11 H new ATOM 0 HB2 PRO A 47 -13.368 -9.724 1.098 1.00 13.14 H new ATOM 0 HB3 PRO A 47 -13.177 -11.125 0.062 1.00 13.14 H new ATOM 0 HG2 PRO A 47 -11.285 -8.799 0.463 1.00 1.21 H new ATOM 0 HG3 PRO A 47 -10.918 -10.512 0.415 1.00 1.21 H new ATOM 0 HD2 PRO A 47 -10.459 -9.008 -1.761 1.00 12.22 H new ATOM 0 HD3 PRO A 47 -11.109 -10.623 -1.960 1.00 12.22 H new ATOM 800 N ILE A 48 -13.622 -6.866 -0.597 1.00 73.44 N ATOM 801 CA ILE A 48 -14.087 -5.537 -0.124 1.00 40.20 C ATOM 802 C ILE A 48 -15.291 -5.013 -0.960 1.00 42.10 C ATOM 803 O ILE A 48 -16.233 -4.407 -0.409 1.00 72.13 O ATOM 804 CB ILE A 48 -12.895 -4.521 -0.159 1.00 12.21 C ATOM 805 CG1 ILE A 48 -11.686 -5.039 0.683 1.00 74.14 C ATOM 806 CG2 ILE A 48 -13.312 -3.116 0.302 1.00 50.45 C ATOM 807 CD1 ILE A 48 -11.933 -5.220 2.180 1.00 1.13 C ATOM 0 H ILE A 48 -12.679 -6.849 -0.987 1.00 73.44 H new ATOM 0 HA ILE A 48 -14.438 -5.643 0.902 1.00 40.20 H new ATOM 0 HB ILE A 48 -12.583 -4.442 -1.200 1.00 12.21 H new ATOM 0 HG12 ILE A 48 -11.367 -5.996 0.271 1.00 74.14 H new ATOM 0 HG13 ILE A 48 -10.856 -4.344 0.555 1.00 74.14 H new ATOM 0 HG21 ILE A 48 -12.451 -2.449 0.260 1.00 50.45 H new ATOM 0 HG22 ILE A 48 -14.097 -2.737 -0.352 1.00 50.45 H new ATOM 0 HG23 ILE A 48 -13.684 -3.164 1.326 1.00 50.45 H new ATOM 0 HD11 ILE A 48 -11.023 -5.583 2.658 1.00 1.13 H new ATOM 0 HD12 ILE A 48 -12.217 -4.264 2.620 1.00 1.13 H new ATOM 0 HD13 ILE A 48 -12.735 -5.942 2.332 1.00 1.13 H new ATOM 819 N LYS A 49 -15.262 -5.276 -2.283 1.00 54.11 N ATOM 820 CA LYS A 49 -16.379 -4.932 -3.194 1.00 21.33 C ATOM 821 C LYS A 49 -17.661 -5.698 -2.786 1.00 11.21 C ATOM 822 O LYS A 49 -18.772 -5.171 -2.906 1.00 52.34 O ATOM 823 CB LYS A 49 -16.005 -5.262 -4.663 1.00 13.41 C ATOM 824 CG LYS A 49 -14.772 -4.506 -5.216 1.00 14.02 C ATOM 825 CD LYS A 49 -14.305 -5.055 -6.591 1.00 25.01 C ATOM 826 CE LYS A 49 -13.829 -6.518 -6.505 1.00 52.14 C ATOM 827 NZ LYS A 49 -13.438 -7.102 -7.815 1.00 3.23 N ATOM 0 H LYS A 49 -14.474 -5.727 -2.748 1.00 54.11 H new ATOM 0 HA LYS A 49 -16.569 -3.862 -3.116 1.00 21.33 H new ATOM 0 HB2 LYS A 49 -15.820 -6.333 -4.742 1.00 13.41 H new ATOM 0 HB3 LYS A 49 -16.862 -5.039 -5.298 1.00 13.41 H new ATOM 0 HG2 LYS A 49 -15.013 -3.447 -5.314 1.00 14.02 H new ATOM 0 HG3 LYS A 49 -13.953 -4.582 -4.501 1.00 14.02 H new ATOM 0 HD2 LYS A 49 -15.125 -4.983 -7.306 1.00 25.01 H new ATOM 0 HD3 LYS A 49 -13.495 -4.433 -6.972 1.00 25.01 H new ATOM 0 HE2 LYS A 49 -12.979 -6.574 -5.825 1.00 52.14 H new ATOM 0 HE3 LYS A 49 -14.625 -7.124 -6.071 1.00 52.14 H new ATOM 0 HZ1 LYS A 49 -12.884 -7.968 -7.658 1.00 3.23 H new ATOM 0 HZ2 LYS A 49 -14.292 -7.332 -8.362 1.00 3.23 H new ATOM 0 HZ3 LYS A 49 -12.863 -6.415 -8.344 1.00 3.23 H new ATOM 841 N LYS A 50 -17.474 -6.943 -2.288 1.00 32.23 N ATOM 842 CA LYS A 50 -18.568 -7.800 -1.788 1.00 54.12 C ATOM 843 C LYS A 50 -19.068 -7.322 -0.408 1.00 32.41 C ATOM 844 O LYS A 50 -20.244 -7.514 -0.073 1.00 2.32 O ATOM 845 CB LYS A 50 -18.109 -9.280 -1.694 1.00 35.25 C ATOM 846 CG LYS A 50 -19.228 -10.261 -1.269 1.00 53.42 C ATOM 847 CD LYS A 50 -18.743 -11.712 -1.114 1.00 20.14 C ATOM 848 CE LYS A 50 -18.155 -12.289 -2.406 1.00 13.13 C ATOM 849 NZ LYS A 50 -17.799 -13.717 -2.255 1.00 2.13 N ATOM 0 H LYS A 50 -16.555 -7.380 -2.223 1.00 32.23 H new ATOM 0 HA LYS A 50 -19.391 -7.727 -2.499 1.00 54.12 H new ATOM 0 HB2 LYS A 50 -17.717 -9.590 -2.663 1.00 35.25 H new ATOM 0 HB3 LYS A 50 -17.288 -9.350 -0.980 1.00 35.25 H new ATOM 0 HG2 LYS A 50 -19.655 -9.926 -0.324 1.00 53.42 H new ATOM 0 HG3 LYS A 50 -20.028 -10.230 -2.009 1.00 53.42 H new ATOM 0 HD2 LYS A 50 -17.989 -11.755 -0.328 1.00 20.14 H new ATOM 0 HD3 LYS A 50 -19.577 -12.335 -0.791 1.00 20.14 H new ATOM 0 HE2 LYS A 50 -18.876 -12.177 -3.216 1.00 13.13 H new ATOM 0 HE3 LYS A 50 -17.269 -11.721 -2.688 1.00 13.13 H new ATOM 0 HZ1 LYS A 50 -17.404 -14.073 -3.149 1.00 2.13 H new ATOM 0 HZ2 LYS A 50 -17.092 -13.821 -1.499 1.00 2.13 H new ATOM 0 HZ3 LYS A 50 -18.650 -14.263 -2.011 1.00 2.13 H new ATOM 863 N LEU A 51 -18.175 -6.697 0.389 1.00 64.53 N ATOM 864 CA LEU A 51 -18.569 -6.074 1.674 1.00 12.31 C ATOM 865 C LEU A 51 -19.460 -4.845 1.398 1.00 60.13 C ATOM 866 O LEU A 51 -20.242 -4.421 2.258 1.00 14.23 O ATOM 867 CB LEU A 51 -17.317 -5.665 2.506 1.00 42.22 C ATOM 868 CG LEU A 51 -16.316 -6.809 2.866 1.00 23.23 C ATOM 869 CD1 LEU A 51 -15.129 -6.274 3.692 1.00 14.22 C ATOM 870 CD2 LEU A 51 -17.021 -7.974 3.591 1.00 30.22 C ATOM 0 H LEU A 51 -17.183 -6.610 0.169 1.00 64.53 H new ATOM 0 HA LEU A 51 -19.131 -6.803 2.259 1.00 12.31 H new ATOM 0 HB2 LEU A 51 -16.775 -4.899 1.952 1.00 42.22 H new ATOM 0 HB3 LEU A 51 -17.659 -5.206 3.434 1.00 42.22 H new ATOM 0 HG LEU A 51 -15.920 -7.201 1.929 1.00 23.23 H new ATOM 0 HD11 LEU A 51 -14.450 -7.094 3.927 1.00 14.22 H new ATOM 0 HD12 LEU A 51 -14.597 -5.516 3.116 1.00 14.22 H new ATOM 0 HD13 LEU A 51 -15.499 -5.833 4.618 1.00 14.22 H new ATOM 0 HD21 LEU A 51 -16.293 -8.751 3.825 1.00 30.22 H new ATOM 0 HD22 LEU A 51 -17.472 -7.609 4.514 1.00 30.22 H new ATOM 0 HD23 LEU A 51 -17.797 -8.387 2.947 1.00 30.22 H new ATOM 882 N GLY A 52 -19.303 -4.285 0.183 1.00 24.11 N ATOM 883 CA GLY A 52 -20.240 -3.313 -0.373 1.00 12.22 C ATOM 884 C GLY A 52 -19.966 -1.906 0.107 1.00 3.45 C ATOM 885 O GLY A 52 -20.877 -1.200 0.540 1.00 21.33 O ATOM 0 H GLY A 52 -18.520 -4.500 -0.434 1.00 24.11 H new ATOM 0 HA2 GLY A 52 -20.183 -3.340 -1.461 1.00 12.22 H new ATOM 0 HA3 GLY A 52 -21.257 -3.595 -0.100 1.00 12.22 H new ATOM 889 N CYS A 53 -18.689 -1.516 0.053 1.00 12.04 N ATOM 890 CA CYS A 53 -18.236 -0.160 0.377 1.00 74.45 C ATOM 891 C CYS A 53 -17.620 0.468 -0.878 1.00 61.42 C ATOM 892 O CYS A 53 -16.543 0.052 -1.330 1.00 52.23 O ATOM 893 CB CYS A 53 -17.221 -0.223 1.535 1.00 21.44 C ATOM 894 SG CYS A 53 -15.814 -1.327 1.203 1.00 20.52 S ATOM 0 H CYS A 53 -17.931 -2.141 -0.221 1.00 12.04 H new ATOM 0 HA CYS A 53 -19.073 0.460 0.698 1.00 74.45 H new ATOM 0 HB2 CYS A 53 -16.846 0.781 1.735 1.00 21.44 H new ATOM 0 HB3 CYS A 53 -17.731 -0.558 2.438 1.00 21.44 H new ATOM 899 N LYS A 54 -18.339 1.432 -1.487 1.00 64.52 N ATOM 900 CA LYS A 54 -17.838 2.156 -2.669 1.00 52.34 C ATOM 901 C LYS A 54 -16.815 3.229 -2.245 1.00 70.31 C ATOM 902 O LYS A 54 -16.127 3.795 -3.082 1.00 53.12 O ATOM 903 CB LYS A 54 -18.998 2.795 -3.496 1.00 25.42 C ATOM 904 CG LYS A 54 -18.569 3.197 -4.934 1.00 63.11 C ATOM 905 CD LYS A 54 -19.656 3.962 -5.716 1.00 71.54 C ATOM 906 CE LYS A 54 -19.210 4.283 -7.156 1.00 53.40 C ATOM 907 NZ LYS A 54 -20.158 5.196 -7.853 1.00 33.11 N ATOM 0 H LYS A 54 -19.266 1.726 -1.180 1.00 64.52 H new ATOM 0 HA LYS A 54 -17.343 1.431 -3.315 1.00 52.34 H new ATOM 0 HB2 LYS A 54 -19.827 2.089 -3.554 1.00 25.42 H new ATOM 0 HB3 LYS A 54 -19.367 3.677 -2.973 1.00 25.42 H new ATOM 0 HG2 LYS A 54 -17.673 3.815 -4.877 1.00 63.11 H new ATOM 0 HG3 LYS A 54 -18.301 2.297 -5.488 1.00 63.11 H new ATOM 0 HD2 LYS A 54 -20.570 3.368 -5.743 1.00 71.54 H new ATOM 0 HD3 LYS A 54 -19.894 4.889 -5.194 1.00 71.54 H new ATOM 0 HE2 LYS A 54 -18.220 4.739 -7.134 1.00 53.40 H new ATOM 0 HE3 LYS A 54 -19.121 3.355 -7.721 1.00 53.40 H new ATOM 0 HZ1 LYS A 54 -19.815 5.382 -8.817 1.00 33.11 H new ATOM 0 HZ2 LYS A 54 -21.097 4.752 -7.899 1.00 33.11 H new ATOM 0 HZ3 LYS A 54 -20.224 6.093 -7.330 1.00 33.11 H new ATOM 921 N ARG A 55 -16.735 3.527 -0.937 1.00 15.12 N ATOM 922 CA ARG A 55 -15.674 4.380 -0.370 1.00 65.00 C ATOM 923 C ARG A 55 -14.840 3.546 0.606 1.00 3.31 C ATOM 924 O ARG A 55 -15.391 2.903 1.501 1.00 2.23 O ATOM 925 CB ARG A 55 -16.269 5.615 0.361 1.00 42.40 C ATOM 926 CG ARG A 55 -15.200 6.568 0.957 1.00 14.33 C ATOM 927 CD ARG A 55 -15.793 7.747 1.750 1.00 10.45 C ATOM 928 NE ARG A 55 -14.740 8.618 2.317 1.00 50.21 N ATOM 929 CZ ARG A 55 -14.688 9.062 3.584 1.00 13.52 C ATOM 930 NH1 ARG A 55 -15.624 8.724 4.464 1.00 41.54 N ATOM 931 NH2 ARG A 55 -13.706 9.869 3.957 1.00 73.33 N ATOM 0 H ARG A 55 -17.401 3.185 -0.244 1.00 15.12 H new ATOM 0 HA ARG A 55 -15.048 4.749 -1.182 1.00 65.00 H new ATOM 0 HB2 ARG A 55 -16.891 6.174 -0.338 1.00 42.40 H new ATOM 0 HB3 ARG A 55 -16.922 5.271 1.163 1.00 42.40 H new ATOM 0 HG2 ARG A 55 -14.541 5.997 1.611 1.00 14.33 H new ATOM 0 HG3 ARG A 55 -14.584 6.960 0.148 1.00 14.33 H new ATOM 0 HD2 ARG A 55 -16.438 8.335 1.097 1.00 10.45 H new ATOM 0 HD3 ARG A 55 -16.419 7.364 2.556 1.00 10.45 H new ATOM 0 HE ARG A 55 -13.988 8.907 1.691 1.00 50.21 H new ATOM 0 HH11 ARG A 55 -16.395 8.120 4.181 1.00 41.54 H new ATOM 0 HH12 ARG A 55 -15.571 9.069 5.422 1.00 41.54 H new ATOM 0 HH21 ARG A 55 -12.994 10.151 3.283 1.00 73.33 H new ATOM 0 HH22 ARG A 55 -13.662 10.209 4.918 1.00 73.33 H new ATOM 945 N VAL A 56 -13.516 3.556 0.416 1.00 43.01 N ATOM 946 CA VAL A 56 -12.558 2.834 1.274 1.00 20.13 C ATOM 947 C VAL A 56 -11.421 3.783 1.689 1.00 70.42 C ATOM 948 O VAL A 56 -11.014 4.632 0.899 1.00 54.24 O ATOM 949 CB VAL A 56 -11.968 1.570 0.531 1.00 5.53 C ATOM 950 CG1 VAL A 56 -13.062 0.511 0.268 1.00 34.31 C ATOM 951 CG2 VAL A 56 -11.253 1.960 -0.793 1.00 22.03 C ATOM 0 H VAL A 56 -13.071 4.070 -0.344 1.00 43.01 H new ATOM 0 HA VAL A 56 -13.084 2.485 2.163 1.00 20.13 H new ATOM 0 HB VAL A 56 -11.222 1.131 1.194 1.00 5.53 H new ATOM 0 HG11 VAL A 56 -12.624 -0.345 -0.244 1.00 34.31 H new ATOM 0 HG12 VAL A 56 -13.490 0.187 1.217 1.00 34.31 H new ATOM 0 HG13 VAL A 56 -13.845 0.944 -0.354 1.00 34.31 H new ATOM 0 HG21 VAL A 56 -10.862 1.063 -1.273 1.00 22.03 H new ATOM 0 HG22 VAL A 56 -11.964 2.448 -1.460 1.00 22.03 H new ATOM 0 HG23 VAL A 56 -10.432 2.643 -0.576 1.00 22.03 H new ATOM 961 N ARG A 57 -10.948 3.662 2.942 1.00 35.12 N ATOM 962 CA ARG A 57 -9.771 4.406 3.445 1.00 3.22 C ATOM 963 C ARG A 57 -8.666 3.421 3.847 1.00 0.54 C ATOM 964 O ARG A 57 -8.779 2.723 4.859 1.00 35.51 O ATOM 965 CB ARG A 57 -10.156 5.321 4.641 1.00 34.45 C ATOM 966 CG ARG A 57 -8.955 6.050 5.303 1.00 1.12 C ATOM 967 CD ARG A 57 -9.376 7.068 6.379 1.00 53.04 C ATOM 968 NE ARG A 57 -10.019 8.257 5.795 1.00 55.14 N ATOM 969 CZ ARG A 57 -10.854 9.092 6.429 1.00 12.21 C ATOM 970 NH1 ARG A 57 -11.189 8.894 7.712 1.00 64.30 N ATOM 971 NH2 ARG A 57 -11.336 10.139 5.767 1.00 4.12 N ATOM 0 H ARG A 57 -11.369 3.046 3.638 1.00 35.12 H new ATOM 0 HA ARG A 57 -9.399 5.048 2.646 1.00 3.22 H new ATOM 0 HB2 ARG A 57 -10.873 6.066 4.297 1.00 34.45 H new ATOM 0 HB3 ARG A 57 -10.661 4.718 5.396 1.00 34.45 H new ATOM 0 HG2 ARG A 57 -8.293 5.310 5.753 1.00 1.12 H new ATOM 0 HG3 ARG A 57 -8.381 6.564 4.532 1.00 1.12 H new ATOM 0 HD2 ARG A 57 -10.063 6.592 7.079 1.00 53.04 H new ATOM 0 HD3 ARG A 57 -8.500 7.374 6.951 1.00 53.04 H new ATOM 0 HE ARG A 57 -9.810 8.464 4.818 1.00 55.14 H new ATOM 0 HH11 ARG A 57 -10.807 8.097 8.222 1.00 64.30 H new ATOM 0 HH12 ARG A 57 -11.826 9.540 8.178 1.00 64.30 H new ATOM 0 HH21 ARG A 57 -11.069 10.295 4.795 1.00 4.12 H new ATOM 0 HH22 ARG A 57 -11.973 10.787 6.231 1.00 4.12 H new ATOM 985 N ILE A 58 -7.604 3.383 3.040 1.00 55.32 N ATOM 986 CA ILE A 58 -6.464 2.473 3.205 1.00 41.52 C ATOM 987 C ILE A 58 -5.245 3.249 3.759 1.00 45.50 C ATOM 988 O ILE A 58 -4.624 4.014 3.025 1.00 3.41 O ATOM 989 CB ILE A 58 -6.079 1.795 1.829 1.00 61.02 C ATOM 990 CG1 ILE A 58 -7.337 1.187 1.129 1.00 62.02 C ATOM 991 CG2 ILE A 58 -4.982 0.718 2.030 1.00 2.21 C ATOM 992 CD1 ILE A 58 -7.072 0.593 -0.242 1.00 32.10 C ATOM 0 H ILE A 58 -7.509 3.999 2.233 1.00 55.32 H new ATOM 0 HA ILE A 58 -6.751 1.692 3.909 1.00 41.52 H new ATOM 0 HB ILE A 58 -5.676 2.570 1.177 1.00 61.02 H new ATOM 0 HG12 ILE A 58 -7.755 0.412 1.772 1.00 62.02 H new ATOM 0 HG13 ILE A 58 -8.095 1.965 1.033 1.00 62.02 H new ATOM 0 HG21 ILE A 58 -4.735 0.267 1.069 1.00 2.21 H new ATOM 0 HG22 ILE A 58 -4.091 1.181 2.453 1.00 2.21 H new ATOM 0 HG23 ILE A 58 -5.348 -0.052 2.709 1.00 2.21 H new ATOM 0 HD11 ILE A 58 -8.000 0.195 -0.652 1.00 32.10 H new ATOM 0 HD12 ILE A 58 -6.685 1.367 -0.905 1.00 32.10 H new ATOM 0 HD13 ILE A 58 -6.340 -0.210 -0.155 1.00 32.10 H new ATOM 1004 N SER A 59 -4.916 3.061 5.047 1.00 12.12 N ATOM 1005 CA SER A 59 -3.720 3.632 5.677 1.00 22.23 C ATOM 1006 C SER A 59 -2.607 2.569 5.660 1.00 60.43 C ATOM 1007 O SER A 59 -2.685 1.574 6.393 1.00 12.14 O ATOM 1008 CB SER A 59 -4.049 4.084 7.119 1.00 51.35 C ATOM 1009 OG SER A 59 -5.135 4.994 7.128 1.00 75.01 O ATOM 0 H SER A 59 -5.481 2.501 5.686 1.00 12.12 H new ATOM 0 HA SER A 59 -3.380 4.510 5.128 1.00 22.23 H new ATOM 0 HB2 SER A 59 -4.292 3.215 7.730 1.00 51.35 H new ATOM 0 HB3 SER A 59 -3.173 4.553 7.566 1.00 51.35 H new ATOM 0 HG SER A 59 -5.327 5.265 8.050 1.00 75.01 H new ATOM 1015 N ILE A 60 -1.612 2.736 4.776 1.00 22.34 N ATOM 1016 CA ILE A 60 -0.471 1.810 4.667 1.00 21.41 C ATOM 1017 C ILE A 60 0.739 2.354 5.448 1.00 44.01 C ATOM 1018 O ILE A 60 1.167 3.491 5.231 1.00 32.34 O ATOM 1019 CB ILE A 60 -0.088 1.534 3.161 1.00 35.23 C ATOM 1020 CG1 ILE A 60 -1.262 0.796 2.439 1.00 32.11 C ATOM 1021 CG2 ILE A 60 1.241 0.746 3.040 1.00 62.42 C ATOM 1022 CD1 ILE A 60 -1.000 0.409 0.996 1.00 70.00 C ATOM 0 H ILE A 60 -1.574 3.514 4.118 1.00 22.34 H new ATOM 0 HA ILE A 60 -0.771 0.859 5.107 1.00 21.41 H new ATOM 0 HB ILE A 60 0.074 2.493 2.668 1.00 35.23 H new ATOM 0 HG12 ILE A 60 -1.501 -0.107 3.001 1.00 32.11 H new ATOM 0 HG13 ILE A 60 -2.144 1.435 2.471 1.00 32.11 H new ATOM 0 HG21 ILE A 60 1.469 0.576 1.988 1.00 62.42 H new ATOM 0 HG22 ILE A 60 2.047 1.319 3.498 1.00 62.42 H new ATOM 0 HG23 ILE A 60 1.143 -0.213 3.549 1.00 62.42 H new ATOM 0 HD11 ILE A 60 -1.876 -0.096 0.590 1.00 70.00 H new ATOM 0 HD12 ILE A 60 -0.794 1.305 0.411 1.00 70.00 H new ATOM 0 HD13 ILE A 60 -0.141 -0.260 0.949 1.00 70.00 H new ATOM 1034 N ARG A 61 1.266 1.529 6.372 1.00 1.41 N ATOM 1035 CA ARG A 61 2.443 1.846 7.190 1.00 71.44 C ATOM 1036 C ARG A 61 3.562 0.900 6.759 1.00 54.44 C ATOM 1037 O ARG A 61 3.392 -0.320 6.831 1.00 61.34 O ATOM 1038 CB ARG A 61 2.151 1.668 8.711 1.00 23.13 C ATOM 1039 CG ARG A 61 1.012 2.545 9.295 1.00 3.15 C ATOM 1040 CD ARG A 61 -0.408 2.038 8.957 1.00 44.41 C ATOM 1041 NE ARG A 61 -0.635 0.650 9.424 1.00 53.02 N ATOM 1042 CZ ARG A 61 -1.033 0.297 10.661 1.00 72.24 C ATOM 1043 NH1 ARG A 61 -1.260 1.216 11.599 1.00 42.33 N ATOM 1044 NH2 ARG A 61 -1.202 -0.992 10.958 1.00 65.33 N ATOM 0 H ARG A 61 0.876 0.608 6.572 1.00 1.41 H new ATOM 0 HA ARG A 61 2.725 2.888 7.040 1.00 71.44 H new ATOM 0 HB2 ARG A 61 1.906 0.622 8.893 1.00 23.13 H new ATOM 0 HB3 ARG A 61 3.066 1.882 9.263 1.00 23.13 H new ATOM 0 HG2 ARG A 61 1.122 2.591 10.378 1.00 3.15 H new ATOM 0 HG3 ARG A 61 1.122 3.563 8.920 1.00 3.15 H new ATOM 0 HD2 ARG A 61 -1.145 2.698 9.414 1.00 44.41 H new ATOM 0 HD3 ARG A 61 -0.562 2.086 7.879 1.00 44.41 H new ATOM 0 HE ARG A 61 -0.476 -0.101 8.752 1.00 53.02 H new ATOM 0 HH11 ARG A 61 -1.133 2.205 11.385 1.00 42.33 H new ATOM 0 HH12 ARG A 61 -1.561 0.930 12.531 1.00 42.33 H new ATOM 0 HH21 ARG A 61 -1.030 -1.705 10.250 1.00 65.33 H new ATOM 0 HH22 ARG A 61 -1.503 -1.265 11.894 1.00 65.33 H new ATOM 1058 N VAL A 62 4.690 1.448 6.305 1.00 44.54 N ATOM 1059 CA VAL A 62 5.796 0.643 5.771 1.00 53.23 C ATOM 1060 C VAL A 62 6.823 0.369 6.890 1.00 55.44 C ATOM 1061 O VAL A 62 7.222 1.289 7.618 1.00 34.25 O ATOM 1062 CB VAL A 62 6.457 1.366 4.529 1.00 34.25 C ATOM 1063 CG1 VAL A 62 7.195 2.667 4.905 1.00 21.11 C ATOM 1064 CG2 VAL A 62 7.392 0.423 3.764 1.00 53.11 C ATOM 0 H VAL A 62 4.865 2.453 6.296 1.00 44.54 H new ATOM 0 HA VAL A 62 5.414 -0.315 5.420 1.00 53.23 H new ATOM 0 HB VAL A 62 5.631 1.648 3.876 1.00 34.25 H new ATOM 0 HG11 VAL A 62 7.625 3.113 4.009 1.00 21.11 H new ATOM 0 HG12 VAL A 62 6.492 3.367 5.357 1.00 21.11 H new ATOM 0 HG13 VAL A 62 7.990 2.442 5.616 1.00 21.11 H new ATOM 0 HG21 VAL A 62 7.829 0.952 2.917 1.00 53.11 H new ATOM 0 HG22 VAL A 62 8.186 0.081 4.427 1.00 53.11 H new ATOM 0 HG23 VAL A 62 6.826 -0.436 3.403 1.00 53.11 H new ATOM 1074 N LYS A 63 7.232 -0.903 7.049 1.00 52.34 N ATOM 1075 CA LYS A 63 8.179 -1.304 8.104 1.00 64.13 C ATOM 1076 C LYS A 63 9.582 -1.332 7.503 1.00 41.24 C ATOM 1077 O LYS A 63 9.791 -1.887 6.417 1.00 3.52 O ATOM 1078 CB LYS A 63 7.788 -2.671 8.718 1.00 3.43 C ATOM 1079 CG LYS A 63 6.466 -2.640 9.520 1.00 54.22 C ATOM 1080 CD LYS A 63 6.089 -3.996 10.174 1.00 51.41 C ATOM 1081 CE LYS A 63 7.157 -4.545 11.139 1.00 11.03 C ATOM 1082 NZ LYS A 63 6.770 -5.878 11.695 1.00 52.42 N ATOM 0 H LYS A 63 6.920 -1.673 6.457 1.00 52.34 H new ATOM 0 HA LYS A 63 8.152 -0.583 8.921 1.00 64.13 H new ATOM 0 HB2 LYS A 63 7.700 -3.406 7.918 1.00 3.43 H new ATOM 0 HB3 LYS A 63 8.592 -3.008 9.373 1.00 3.43 H new ATOM 0 HG2 LYS A 63 6.544 -1.882 10.300 1.00 54.22 H new ATOM 0 HG3 LYS A 63 5.658 -2.332 8.856 1.00 54.22 H new ATOM 0 HD2 LYS A 63 5.151 -3.878 10.716 1.00 51.41 H new ATOM 0 HD3 LYS A 63 5.913 -4.730 9.388 1.00 51.41 H new ATOM 0 HE2 LYS A 63 8.109 -4.632 10.616 1.00 11.03 H new ATOM 0 HE3 LYS A 63 7.306 -3.839 11.956 1.00 11.03 H new ATOM 0 HZ1 LYS A 63 7.589 -6.306 12.173 1.00 52.42 H new ATOM 0 HZ2 LYS A 63 5.995 -5.758 12.378 1.00 52.42 H new ATOM 0 HZ3 LYS A 63 6.457 -6.499 10.922 1.00 52.42 H new ATOM 1096 N HIS A 64 10.530 -0.731 8.231 1.00 62.40 N ATOM 1097 CA HIS A 64 11.827 -0.299 7.687 1.00 40.10 C ATOM 1098 C HIS A 64 12.982 -1.244 8.010 1.00 42.51 C ATOM 1099 O HIS A 64 12.952 -2.000 8.992 1.00 53.33 O ATOM 1100 CB HIS A 64 12.142 1.125 8.195 1.00 75.12 C ATOM 1101 CG HIS A 64 11.224 2.172 7.625 1.00 41.03 C ATOM 1102 ND1 HIS A 64 11.287 2.555 6.309 1.00 51.25 N ATOM 1103 CD2 HIS A 64 10.268 2.942 8.192 1.00 61.30 C ATOM 1104 CE1 HIS A 64 10.427 3.523 6.089 1.00 11.42 C ATOM 1105 NE2 HIS A 64 9.793 3.778 7.216 1.00 3.13 N ATOM 0 H HIS A 64 10.419 -0.528 9.224 1.00 62.40 H new ATOM 0 HA HIS A 64 11.733 -0.310 6.601 1.00 40.10 H new ATOM 0 HB2 HIS A 64 12.070 1.140 9.283 1.00 75.12 H new ATOM 0 HB3 HIS A 64 13.172 1.376 7.940 1.00 75.12 H new ATOM 0 HD2 HIS A 64 9.941 2.905 9.220 1.00 61.30 H new ATOM 0 HE1 HIS A 64 10.267 4.024 5.146 1.00 11.42 H new ATOM 0 HE2 HIS A 64 9.067 4.483 7.341 1.00 3.13 H new ATOM 1114 N SER A 65 13.995 -1.156 7.138 1.00 12.41 N ATOM 1115 CA SER A 65 15.253 -1.887 7.233 1.00 62.24 C ATOM 1116 C SER A 65 16.100 -1.372 8.416 1.00 1.11 C ATOM 1117 O SER A 65 16.578 -2.164 9.239 1.00 3.42 O ATOM 1118 CB SER A 65 16.022 -1.726 5.900 1.00 44.22 C ATOM 1119 OG SER A 65 17.228 -2.472 5.883 1.00 62.44 O ATOM 0 H SER A 65 13.953 -0.550 6.319 1.00 12.41 H new ATOM 0 HA SER A 65 15.047 -2.942 7.413 1.00 62.24 H new ATOM 0 HB2 SER A 65 15.386 -2.048 5.075 1.00 44.22 H new ATOM 0 HB3 SER A 65 16.247 -0.672 5.737 1.00 44.22 H new ATOM 0 HG SER A 65 17.990 -1.864 5.982 1.00 62.44 H new ATOM 1125 N ASP A 66 16.269 -0.033 8.503 1.00 35.30 N ATOM 1126 CA ASP A 66 17.107 0.603 9.551 1.00 51.14 C ATOM 1127 C ASP A 66 16.735 2.089 9.718 1.00 74.02 C ATOM 1128 O ASP A 66 16.103 2.674 8.833 1.00 1.15 O ATOM 1129 CB ASP A 66 18.619 0.445 9.195 1.00 4.44 C ATOM 1130 CG ASP A 66 19.579 0.853 10.330 1.00 0.20 C ATOM 1131 OD1 ASP A 66 19.727 0.082 11.305 1.00 62.23 O ATOM 1132 OD2 ASP A 66 20.184 1.944 10.266 1.00 50.43 O ATOM 0 H ASP A 66 15.837 0.631 7.860 1.00 35.30 H new ATOM 0 HA ASP A 66 16.920 0.102 10.501 1.00 51.14 H new ATOM 0 HB2 ASP A 66 18.811 -0.594 8.927 1.00 4.44 H new ATOM 0 HB3 ASP A 66 18.839 1.048 8.314 1.00 4.44 H new ATOM 1137 N ALA A 67 17.144 2.678 10.866 1.00 2.12 N ATOM 1138 CA ALA A 67 16.931 4.106 11.189 1.00 24.41 C ATOM 1139 C ALA A 67 17.626 5.031 10.178 1.00 74.02 C ATOM 1140 O ALA A 67 17.101 6.089 9.818 1.00 33.43 O ATOM 1141 CB ALA A 67 17.420 4.406 12.619 1.00 41.23 C ATOM 0 H ALA A 67 17.636 2.169 11.600 1.00 2.12 H new ATOM 0 HA ALA A 67 15.861 4.303 11.128 1.00 24.41 H new ATOM 0 HB1 ALA A 67 17.258 5.460 12.845 1.00 41.23 H new ATOM 0 HB2 ALA A 67 16.865 3.793 13.329 1.00 41.23 H new ATOM 0 HB3 ALA A 67 18.483 4.178 12.695 1.00 41.23 H new ATOM 1147 N ALA A 68 18.816 4.618 9.730 1.00 72.21 N ATOM 1148 CA ALA A 68 19.596 5.356 8.727 1.00 32.32 C ATOM 1149 C ALA A 68 18.923 5.306 7.343 1.00 3.14 C ATOM 1150 O ALA A 68 18.905 6.301 6.609 1.00 35.35 O ATOM 1151 CB ALA A 68 21.010 4.783 8.649 1.00 64.23 C ATOM 0 H ALA A 68 19.267 3.762 10.052 1.00 72.21 H new ATOM 0 HA ALA A 68 19.645 6.401 9.034 1.00 32.32 H new ATOM 0 HB1 ALA A 68 21.585 5.333 7.904 1.00 64.23 H new ATOM 0 HB2 ALA A 68 21.494 4.875 9.621 1.00 64.23 H new ATOM 0 HB3 ALA A 68 20.961 3.732 8.366 1.00 64.23 H new ATOM 1157 N GLU A 69 18.363 4.132 7.020 1.00 75.30 N ATOM 1158 CA GLU A 69 17.789 3.841 5.696 1.00 23.02 C ATOM 1159 C GLU A 69 16.346 4.363 5.555 1.00 0.00 C ATOM 1160 O GLU A 69 15.922 4.671 4.444 1.00 43.31 O ATOM 1161 CB GLU A 69 17.850 2.309 5.437 1.00 54.21 C ATOM 1162 CG GLU A 69 19.281 1.735 5.362 1.00 3.44 C ATOM 1163 CD GLU A 69 19.311 0.217 5.130 1.00 72.12 C ATOM 1164 OE1 GLU A 69 19.135 -0.233 3.975 1.00 54.21 O ATOM 1165 OE2 GLU A 69 19.503 -0.543 6.095 1.00 52.33 O ATOM 0 H GLU A 69 18.294 3.352 7.673 1.00 75.30 H new ATOM 0 HA GLU A 69 18.382 4.365 4.947 1.00 23.02 H new ATOM 0 HB2 GLU A 69 17.306 1.796 6.230 1.00 54.21 H new ATOM 0 HB3 GLU A 69 17.333 2.089 4.503 1.00 54.21 H new ATOM 0 HG2 GLU A 69 19.823 2.230 4.556 1.00 3.44 H new ATOM 0 HG3 GLU A 69 19.807 1.965 6.288 1.00 3.44 H new ATOM 1172 N GLU A 70 15.619 4.497 6.689 1.00 42.44 N ATOM 1173 CA GLU A 70 14.149 4.716 6.679 1.00 62.13 C ATOM 1174 C GLU A 70 13.735 6.037 5.993 1.00 72.32 C ATOM 1175 O GLU A 70 12.719 6.087 5.285 1.00 43.41 O ATOM 1176 CB GLU A 70 13.566 4.633 8.112 1.00 64.03 C ATOM 1177 CG GLU A 70 13.961 5.759 9.079 1.00 2.34 C ATOM 1178 CD GLU A 70 13.189 5.681 10.407 1.00 23.54 C ATOM 1179 OE1 GLU A 70 12.049 6.201 10.474 1.00 71.01 O ATOM 1180 OE2 GLU A 70 13.688 5.070 11.373 1.00 25.13 O ATOM 0 H GLU A 70 16.025 4.458 7.624 1.00 42.44 H new ATOM 0 HA GLU A 70 13.725 3.911 6.079 1.00 62.13 H new ATOM 0 HB2 GLU A 70 12.479 4.613 8.037 1.00 64.03 H new ATOM 0 HB3 GLU A 70 13.873 3.683 8.551 1.00 64.03 H new ATOM 0 HG2 GLU A 70 15.031 5.705 9.279 1.00 2.34 H new ATOM 0 HG3 GLU A 70 13.773 6.723 8.607 1.00 2.34 H new ATOM 1187 N LYS A 71 14.554 7.082 6.191 1.00 61.42 N ATOM 1188 CA LYS A 71 14.341 8.419 5.603 1.00 73.30 C ATOM 1189 C LYS A 71 14.499 8.411 4.064 1.00 11.14 C ATOM 1190 O LYS A 71 14.079 9.349 3.391 1.00 34.54 O ATOM 1191 CB LYS A 71 15.273 9.451 6.288 1.00 3.31 C ATOM 1192 CG LYS A 71 16.779 9.091 6.267 1.00 2.34 C ATOM 1193 CD LYS A 71 17.626 10.069 7.120 1.00 12.12 C ATOM 1194 CE LYS A 71 19.131 9.748 7.092 1.00 50.52 C ATOM 1195 NZ LYS A 71 19.704 9.820 5.727 1.00 74.41 N ATOM 0 H LYS A 71 15.392 7.024 6.769 1.00 61.42 H new ATOM 0 HA LYS A 71 13.310 8.717 5.791 1.00 73.30 H new ATOM 0 HB2 LYS A 71 15.139 10.417 5.801 1.00 3.31 H new ATOM 0 HB3 LYS A 71 14.958 9.570 7.325 1.00 3.31 H new ATOM 0 HG2 LYS A 71 16.913 8.076 6.640 1.00 2.34 H new ATOM 0 HG3 LYS A 71 17.139 9.103 5.238 1.00 2.34 H new ATOM 0 HD2 LYS A 71 17.471 11.085 6.758 1.00 12.12 H new ATOM 0 HD3 LYS A 71 17.274 10.041 8.151 1.00 12.12 H new ATOM 0 HE2 LYS A 71 19.660 10.446 7.741 1.00 50.52 H new ATOM 0 HE3 LYS A 71 19.293 8.750 7.498 1.00 50.52 H new ATOM 0 HZ1 LYS A 71 20.737 9.713 5.778 1.00 74.41 H new ATOM 0 HZ2 LYS A 71 19.305 9.058 5.143 1.00 74.41 H new ATOM 0 HZ3 LYS A 71 19.472 10.740 5.301 1.00 74.41 H new ATOM 1209 N LYS A 72 15.178 7.390 3.524 1.00 10.23 N ATOM 1210 CA LYS A 72 15.214 7.126 2.072 1.00 52.11 C ATOM 1211 C LYS A 72 14.009 6.265 1.645 1.00 60.32 C ATOM 1212 O LYS A 72 13.282 6.625 0.707 1.00 44.23 O ATOM 1213 CB LYS A 72 16.540 6.427 1.696 1.00 2.33 C ATOM 1214 CG LYS A 72 16.735 6.179 0.182 1.00 34.31 C ATOM 1215 CD LYS A 72 18.131 5.607 -0.149 1.00 13.54 C ATOM 1216 CE LYS A 72 19.281 6.546 0.273 1.00 10.42 C ATOM 1217 NZ LYS A 72 20.619 5.923 0.079 1.00 23.22 N ATOM 0 H LYS A 72 15.718 6.723 4.076 1.00 10.23 H new ATOM 0 HA LYS A 72 15.155 8.077 1.543 1.00 52.11 H new ATOM 0 HB2 LYS A 72 17.370 7.032 2.061 1.00 2.33 H new ATOM 0 HB3 LYS A 72 16.591 5.470 2.216 1.00 2.33 H new ATOM 0 HG2 LYS A 72 15.970 5.488 -0.171 1.00 34.31 H new ATOM 0 HG3 LYS A 72 16.592 7.115 -0.358 1.00 34.31 H new ATOM 0 HD2 LYS A 72 18.252 4.646 0.351 1.00 13.54 H new ATOM 0 HD3 LYS A 72 18.196 5.420 -1.221 1.00 13.54 H new ATOM 0 HE2 LYS A 72 19.225 7.468 -0.305 1.00 10.42 H new ATOM 0 HE3 LYS A 72 19.158 6.819 1.321 1.00 10.42 H new ATOM 0 HZ1 LYS A 72 21.359 6.591 0.376 1.00 23.22 H new ATOM 0 HZ2 LYS A 72 20.685 5.057 0.651 1.00 23.22 H new ATOM 0 HZ3 LYS A 72 20.749 5.686 -0.925 1.00 23.22 H new ATOM 1231 N GLU A 73 13.812 5.141 2.382 1.00 32.42 N ATOM 1232 CA GLU A 73 12.802 4.101 2.071 1.00 31.30 C ATOM 1233 C GLU A 73 11.398 4.695 1.886 1.00 54.35 C ATOM 1234 O GLU A 73 10.733 4.408 0.899 1.00 54.00 O ATOM 1235 CB GLU A 73 12.759 3.025 3.195 1.00 62.01 C ATOM 1236 CG GLU A 73 14.040 2.184 3.378 1.00 61.51 C ATOM 1237 CD GLU A 73 13.925 1.209 4.565 1.00 3.23 C ATOM 1238 OE1 GLU A 73 13.189 0.207 4.445 1.00 32.35 O ATOM 1239 OE2 GLU A 73 14.517 1.464 5.640 1.00 24.23 O ATOM 0 H GLU A 73 14.357 4.931 3.218 1.00 32.42 H new ATOM 0 HA GLU A 73 13.104 3.641 1.130 1.00 31.30 H new ATOM 0 HB2 GLU A 73 12.538 3.523 4.139 1.00 62.01 H new ATOM 0 HB3 GLU A 73 11.930 2.348 2.990 1.00 62.01 H new ATOM 0 HG2 GLU A 73 14.238 1.622 2.465 1.00 61.51 H new ATOM 0 HG3 GLU A 73 14.890 2.848 3.535 1.00 61.51 H new ATOM 1246 N ALA A 74 10.993 5.542 2.839 1.00 52.43 N ATOM 1247 CA ALA A 74 9.654 6.153 2.879 1.00 32.21 C ATOM 1248 C ALA A 74 9.373 7.040 1.652 1.00 23.42 C ATOM 1249 O ALA A 74 8.332 6.908 1.008 1.00 50.45 O ATOM 1250 CB ALA A 74 9.530 6.976 4.160 1.00 61.12 C ATOM 0 H ALA A 74 11.591 5.828 3.615 1.00 52.43 H new ATOM 0 HA ALA A 74 8.915 5.352 2.862 1.00 32.21 H new ATOM 0 HB1 ALA A 74 8.542 7.435 4.203 1.00 61.12 H new ATOM 0 HB2 ALA A 74 9.666 6.326 5.025 1.00 61.12 H new ATOM 0 HB3 ALA A 74 10.293 7.755 4.167 1.00 61.12 H new ATOM 1256 N LYS A 75 10.325 7.935 1.355 1.00 30.44 N ATOM 1257 CA LYS A 75 10.193 8.934 0.275 1.00 70.23 C ATOM 1258 C LYS A 75 10.239 8.260 -1.111 1.00 3.33 C ATOM 1259 O LYS A 75 9.564 8.703 -2.047 1.00 2.41 O ATOM 1260 CB LYS A 75 11.283 10.040 0.406 1.00 24.14 C ATOM 1261 CG LYS A 75 11.057 11.059 1.560 1.00 33.21 C ATOM 1262 CD LYS A 75 11.150 10.430 2.968 1.00 71.20 C ATOM 1263 CE LYS A 75 10.732 11.391 4.085 1.00 23.33 C ATOM 1264 NZ LYS A 75 9.272 11.663 4.070 1.00 32.12 N ATOM 0 H LYS A 75 11.212 7.990 1.856 1.00 30.44 H new ATOM 0 HA LYS A 75 9.220 9.414 0.375 1.00 70.23 H new ATOM 0 HB2 LYS A 75 12.250 9.559 0.552 1.00 24.14 H new ATOM 0 HB3 LYS A 75 11.338 10.587 -0.535 1.00 24.14 H new ATOM 0 HG2 LYS A 75 11.795 11.857 1.478 1.00 33.21 H new ATOM 0 HG3 LYS A 75 10.076 11.519 1.441 1.00 33.21 H new ATOM 0 HD2 LYS A 75 10.518 9.543 3.005 1.00 71.20 H new ATOM 0 HD3 LYS A 75 12.174 10.100 3.145 1.00 71.20 H new ATOM 0 HE2 LYS A 75 11.012 10.968 5.050 1.00 23.33 H new ATOM 0 HE3 LYS A 75 11.276 12.329 3.978 1.00 23.33 H new ATOM 0 HZ1 LYS A 75 9.017 12.235 4.900 1.00 32.12 H new ATOM 0 HZ2 LYS A 75 9.024 12.182 3.203 1.00 32.12 H new ATOM 0 HZ3 LYS A 75 8.751 10.763 4.096 1.00 32.12 H new ATOM 1278 N LYS A 76 11.035 7.185 -1.220 1.00 13.13 N ATOM 1279 CA LYS A 76 11.054 6.313 -2.408 1.00 12.33 C ATOM 1280 C LYS A 76 9.693 5.607 -2.569 1.00 40.14 C ATOM 1281 O LYS A 76 9.090 5.639 -3.642 1.00 44.23 O ATOM 1282 CB LYS A 76 12.173 5.247 -2.275 1.00 62.03 C ATOM 1283 CG LYS A 76 12.246 4.243 -3.455 1.00 63.21 C ATOM 1284 CD LYS A 76 13.064 2.983 -3.121 1.00 72.00 C ATOM 1285 CE LYS A 76 14.538 3.264 -2.788 1.00 4.52 C ATOM 1286 NZ LYS A 76 15.260 2.004 -2.464 1.00 64.14 N ATOM 0 H LYS A 76 11.684 6.895 -0.488 1.00 13.13 H new ATOM 0 HA LYS A 76 11.248 6.930 -3.285 1.00 12.33 H new ATOM 0 HB2 LYS A 76 13.133 5.755 -2.187 1.00 62.03 H new ATOM 0 HB3 LYS A 76 12.020 4.691 -1.350 1.00 62.03 H new ATOM 0 HG2 LYS A 76 11.235 3.949 -3.738 1.00 63.21 H new ATOM 0 HG3 LYS A 76 12.688 4.738 -4.320 1.00 63.21 H new ATOM 0 HD2 LYS A 76 12.601 2.476 -2.274 1.00 72.00 H new ATOM 0 HD3 LYS A 76 13.018 2.297 -3.967 1.00 72.00 H new ATOM 0 HE2 LYS A 76 15.018 3.756 -3.634 1.00 4.52 H new ATOM 0 HE3 LYS A 76 14.599 3.950 -1.943 1.00 4.52 H new ATOM 0 HZ1 LYS A 76 16.283 2.190 -2.426 1.00 64.14 H new ATOM 0 HZ2 LYS A 76 14.938 1.647 -1.542 1.00 64.14 H new ATOM 0 HZ3 LYS A 76 15.064 1.293 -3.198 1.00 64.14 H new ATOM 1300 N PHE A 77 9.206 5.032 -1.452 1.00 72.30 N ATOM 1301 CA PHE A 77 7.986 4.194 -1.404 1.00 75.33 C ATOM 1302 C PHE A 77 6.738 5.064 -1.626 1.00 72.41 C ATOM 1303 O PHE A 77 5.681 4.563 -2.002 1.00 51.23 O ATOM 1304 CB PHE A 77 7.931 3.447 -0.035 1.00 64.24 C ATOM 1305 CG PHE A 77 7.034 2.205 0.017 1.00 42.33 C ATOM 1306 CD1 PHE A 77 7.374 1.051 -0.695 1.00 31.04 C ATOM 1307 CD2 PHE A 77 5.880 2.172 0.796 1.00 32.33 C ATOM 1308 CE1 PHE A 77 6.586 -0.082 -0.622 1.00 60.33 C ATOM 1309 CE2 PHE A 77 5.093 1.038 0.863 1.00 25.10 C ATOM 1310 CZ PHE A 77 5.446 -0.086 0.155 1.00 2.32 C ATOM 0 H PHE A 77 9.654 5.137 -0.542 1.00 72.30 H new ATOM 0 HA PHE A 77 8.012 3.451 -2.201 1.00 75.33 H new ATOM 0 HB2 PHE A 77 8.944 3.151 0.236 1.00 64.24 H new ATOM 0 HB3 PHE A 77 7.590 4.149 0.726 1.00 64.24 H new ATOM 0 HD1 PHE A 77 8.262 1.045 -1.309 1.00 31.04 H new ATOM 0 HD2 PHE A 77 5.595 3.049 1.358 1.00 32.33 H new ATOM 0 HE1 PHE A 77 6.864 -0.967 -1.175 1.00 60.33 H new ATOM 0 HE2 PHE A 77 4.201 1.035 1.472 1.00 25.10 H new ATOM 0 HZ PHE A 77 4.831 -0.972 0.207 1.00 2.32 H new ATOM 1320 N ALA A 78 6.897 6.374 -1.374 1.00 34.43 N ATOM 1321 CA ALA A 78 5.888 7.388 -1.663 1.00 2.22 C ATOM 1322 C ALA A 78 5.629 7.480 -3.166 1.00 14.54 C ATOM 1323 O ALA A 78 4.479 7.440 -3.608 1.00 42.01 O ATOM 1324 CB ALA A 78 6.328 8.741 -1.089 1.00 10.40 C ATOM 0 H ALA A 78 7.746 6.757 -0.957 1.00 34.43 H new ATOM 0 HA ALA A 78 4.951 7.101 -1.186 1.00 2.22 H new ATOM 0 HB1 ALA A 78 5.570 9.493 -1.308 1.00 10.40 H new ATOM 0 HB2 ALA A 78 6.452 8.655 -0.010 1.00 10.40 H new ATOM 0 HB3 ALA A 78 7.275 9.037 -1.541 1.00 10.40 H new ATOM 1330 N ALA A 79 6.726 7.570 -3.940 1.00 2.25 N ATOM 1331 CA ALA A 79 6.682 7.602 -5.410 1.00 12.23 C ATOM 1332 C ALA A 79 6.193 6.255 -5.978 1.00 44.13 C ATOM 1333 O ALA A 79 5.368 6.227 -6.894 1.00 21.40 O ATOM 1334 CB ALA A 79 8.069 7.962 -5.960 1.00 4.43 C ATOM 0 H ALA A 79 7.671 7.623 -3.560 1.00 2.25 H new ATOM 0 HA ALA A 79 5.970 8.365 -5.725 1.00 12.23 H new ATOM 0 HB1 ALA A 79 8.034 7.985 -7.049 1.00 4.43 H new ATOM 0 HB2 ALA A 79 8.366 8.942 -5.586 1.00 4.43 H new ATOM 0 HB3 ALA A 79 8.794 7.215 -5.636 1.00 4.43 H new ATOM 1340 N ILE A 80 6.696 5.147 -5.388 1.00 14.44 N ATOM 1341 CA ILE A 80 6.343 3.767 -5.785 1.00 31.23 C ATOM 1342 C ILE A 80 4.817 3.530 -5.654 1.00 62.44 C ATOM 1343 O ILE A 80 4.176 3.091 -6.611 1.00 21.44 O ATOM 1344 CB ILE A 80 7.151 2.709 -4.931 1.00 30.14 C ATOM 1345 CG1 ILE A 80 8.694 2.828 -5.178 1.00 12.32 C ATOM 1346 CG2 ILE A 80 6.680 1.264 -5.190 1.00 31.01 C ATOM 1347 CD1 ILE A 80 9.153 2.622 -6.624 1.00 62.02 C ATOM 0 H ILE A 80 7.363 5.187 -4.617 1.00 14.44 H new ATOM 0 HA ILE A 80 6.618 3.636 -6.832 1.00 31.23 H new ATOM 0 HB ILE A 80 6.948 2.941 -3.886 1.00 30.14 H new ATOM 0 HG12 ILE A 80 9.021 3.815 -4.850 1.00 12.32 H new ATOM 0 HG13 ILE A 80 9.202 2.098 -4.548 1.00 12.32 H new ATOM 0 HG21 ILE A 80 7.265 0.576 -4.580 1.00 31.01 H new ATOM 0 HG22 ILE A 80 5.626 1.173 -4.929 1.00 31.01 H new ATOM 0 HG23 ILE A 80 6.816 1.020 -6.244 1.00 31.01 H new ATOM 0 HD11 ILE A 80 10.237 2.726 -6.680 1.00 62.02 H new ATOM 0 HD12 ILE A 80 8.867 1.625 -6.958 1.00 62.02 H new ATOM 0 HD13 ILE A 80 8.683 3.368 -7.265 1.00 62.02 H new ATOM 1359 N LEU A 81 4.247 3.879 -4.479 1.00 24.42 N ATOM 1360 CA LEU A 81 2.796 3.732 -4.212 1.00 11.15 C ATOM 1361 C LEU A 81 1.953 4.703 -5.065 1.00 74.13 C ATOM 1362 O LEU A 81 0.874 4.332 -5.526 1.00 31.31 O ATOM 1363 CB LEU A 81 2.469 3.928 -2.699 1.00 43.23 C ATOM 1364 CG LEU A 81 2.752 2.706 -1.764 1.00 63.32 C ATOM 1365 CD1 LEU A 81 2.364 3.029 -0.306 1.00 1.14 C ATOM 1366 CD2 LEU A 81 2.011 1.437 -2.256 1.00 42.32 C ATOM 0 H LEU A 81 4.772 4.267 -3.695 1.00 24.42 H new ATOM 0 HA LEU A 81 2.530 2.713 -4.494 1.00 11.15 H new ATOM 0 HB2 LEU A 81 3.043 4.779 -2.333 1.00 43.23 H new ATOM 0 HB3 LEU A 81 1.415 4.191 -2.608 1.00 43.23 H new ATOM 0 HG LEU A 81 3.823 2.504 -1.799 1.00 63.32 H new ATOM 0 HD11 LEU A 81 2.570 2.165 0.325 1.00 1.14 H new ATOM 0 HD12 LEU A 81 2.946 3.881 0.045 1.00 1.14 H new ATOM 0 HD13 LEU A 81 1.302 3.270 -0.257 1.00 1.14 H new ATOM 0 HD21 LEU A 81 2.228 0.606 -1.585 1.00 42.32 H new ATOM 0 HD22 LEU A 81 0.937 1.624 -2.267 1.00 42.32 H new ATOM 0 HD23 LEU A 81 2.346 1.188 -3.263 1.00 42.32 H new ATOM 1378 N ASN A 82 2.473 5.928 -5.279 1.00 34.33 N ATOM 1379 CA ASN A 82 1.787 6.977 -6.075 1.00 72.30 C ATOM 1380 C ASN A 82 1.544 6.480 -7.514 1.00 75.32 C ATOM 1381 O ASN A 82 0.501 6.759 -8.118 1.00 74.13 O ATOM 1382 CB ASN A 82 2.627 8.288 -6.068 1.00 50.30 C ATOM 1383 CG ASN A 82 2.019 9.409 -6.913 1.00 61.21 C ATOM 1384 OD1 ASN A 82 1.206 10.202 -6.432 1.00 4.34 O ATOM 1385 ND2 ASN A 82 2.413 9.482 -8.178 1.00 61.35 N ATOM 0 H ASN A 82 3.377 6.222 -4.908 1.00 34.33 H new ATOM 0 HA ASN A 82 0.818 7.192 -5.624 1.00 72.30 H new ATOM 0 HB2 ASN A 82 2.734 8.636 -5.041 1.00 50.30 H new ATOM 0 HB3 ASN A 82 3.629 8.069 -6.436 1.00 50.30 H new ATOM 0 HD21 ASN A 82 2.042 10.211 -8.787 1.00 61.35 H new ATOM 0 HD22 ASN A 82 3.087 8.809 -8.542 1.00 61.35 H new ATOM 1392 N LYS A 83 2.522 5.719 -8.032 1.00 54.33 N ATOM 1393 CA LYS A 83 2.427 5.068 -9.344 1.00 14.14 C ATOM 1394 C LYS A 83 1.436 3.888 -9.308 1.00 41.41 C ATOM 1395 O LYS A 83 0.532 3.826 -10.138 1.00 0.32 O ATOM 1396 CB LYS A 83 3.828 4.591 -9.822 1.00 23.22 C ATOM 1397 CG LYS A 83 4.863 5.723 -10.017 1.00 14.54 C ATOM 1398 CD LYS A 83 4.401 6.802 -11.028 1.00 75.02 C ATOM 1399 CE LYS A 83 5.379 7.984 -11.137 1.00 3.53 C ATOM 1400 NZ LYS A 83 6.727 7.575 -11.613 1.00 34.13 N ATOM 0 H LYS A 83 3.402 5.539 -7.549 1.00 54.33 H new ATOM 0 HA LYS A 83 2.050 5.802 -10.056 1.00 14.14 H new ATOM 0 HB2 LYS A 83 4.221 3.878 -9.097 1.00 23.22 H new ATOM 0 HB3 LYS A 83 3.713 4.056 -10.765 1.00 23.22 H new ATOM 0 HG2 LYS A 83 5.061 6.196 -9.055 1.00 14.54 H new ATOM 0 HG3 LYS A 83 5.804 5.292 -10.359 1.00 14.54 H new ATOM 0 HD2 LYS A 83 4.283 6.344 -12.010 1.00 75.02 H new ATOM 0 HD3 LYS A 83 3.421 7.175 -10.730 1.00 75.02 H new ATOM 0 HE2 LYS A 83 4.968 8.728 -11.820 1.00 3.53 H new ATOM 0 HE3 LYS A 83 5.473 8.463 -10.162 1.00 3.53 H new ATOM 0 HZ1 LYS A 83 7.339 8.413 -11.684 1.00 34.13 H new ATOM 0 HZ2 LYS A 83 7.142 6.899 -10.941 1.00 34.13 H new ATOM 0 HZ3 LYS A 83 6.644 7.127 -12.548 1.00 34.13 H new ATOM 1414 N VAL A 84 1.583 3.012 -8.289 1.00 31.30 N ATOM 1415 CA VAL A 84 0.806 1.756 -8.157 1.00 74.51 C ATOM 1416 C VAL A 84 -0.713 2.038 -8.100 1.00 43.41 C ATOM 1417 O VAL A 84 -1.474 1.522 -8.920 1.00 61.24 O ATOM 1418 CB VAL A 84 1.287 0.945 -6.878 1.00 25.42 C ATOM 1419 CG1 VAL A 84 0.275 -0.142 -6.443 1.00 33.00 C ATOM 1420 CG2 VAL A 84 2.684 0.317 -7.122 1.00 53.25 C ATOM 0 H VAL A 84 2.248 3.156 -7.529 1.00 31.30 H new ATOM 0 HA VAL A 84 0.989 1.146 -9.042 1.00 74.51 H new ATOM 0 HB VAL A 84 1.354 1.662 -6.060 1.00 25.42 H new ATOM 0 HG11 VAL A 84 0.656 -0.664 -5.565 1.00 33.00 H new ATOM 0 HG12 VAL A 84 -0.680 0.325 -6.201 1.00 33.00 H new ATOM 0 HG13 VAL A 84 0.135 -0.855 -7.256 1.00 33.00 H new ATOM 0 HG21 VAL A 84 2.995 -0.234 -6.234 1.00 53.25 H new ATOM 0 HG22 VAL A 84 2.634 -0.363 -7.972 1.00 53.25 H new ATOM 0 HG23 VAL A 84 3.406 1.106 -7.331 1.00 53.25 H new ATOM 1430 N PHE A 85 -1.110 2.892 -7.143 1.00 40.22 N ATOM 1431 CA PHE A 85 -2.519 3.298 -6.941 1.00 61.20 C ATOM 1432 C PHE A 85 -3.112 3.988 -8.187 1.00 3.32 C ATOM 1433 O PHE A 85 -4.293 3.782 -8.509 1.00 30.03 O ATOM 1434 CB PHE A 85 -2.651 4.217 -5.704 1.00 64.21 C ATOM 1435 CG PHE A 85 -2.422 3.498 -4.370 1.00 52.35 C ATOM 1436 CD1 PHE A 85 -3.285 2.480 -3.955 1.00 31.13 C ATOM 1437 CD2 PHE A 85 -1.371 3.843 -3.529 1.00 14.32 C ATOM 1438 CE1 PHE A 85 -3.106 1.849 -2.744 1.00 32.33 C ATOM 1439 CE2 PHE A 85 -1.190 3.203 -2.322 1.00 5.34 C ATOM 1440 CZ PHE A 85 -2.054 2.208 -1.932 1.00 51.12 C ATOM 0 H PHE A 85 -0.464 3.324 -6.483 1.00 40.22 H new ATOM 0 HA PHE A 85 -3.092 2.387 -6.770 1.00 61.20 H new ATOM 0 HB2 PHE A 85 -1.935 5.034 -5.793 1.00 64.21 H new ATOM 0 HB3 PHE A 85 -3.646 4.663 -5.699 1.00 64.21 H new ATOM 0 HD1 PHE A 85 -4.104 2.184 -4.593 1.00 31.13 H new ATOM 0 HD2 PHE A 85 -0.686 4.624 -3.825 1.00 14.32 H new ATOM 0 HE1 PHE A 85 -3.790 1.074 -2.432 1.00 32.33 H new ATOM 0 HE2 PHE A 85 -0.367 3.484 -1.681 1.00 5.34 H new ATOM 0 HZ PHE A 85 -1.907 1.707 -0.987 1.00 51.12 H new ATOM 1450 N ALA A 86 -2.283 4.780 -8.887 1.00 32.12 N ATOM 1451 CA ALA A 86 -2.695 5.486 -10.119 1.00 14.51 C ATOM 1452 C ALA A 86 -2.886 4.515 -11.300 1.00 75.11 C ATOM 1453 O ALA A 86 -3.632 4.810 -12.240 1.00 32.52 O ATOM 1454 CB ALA A 86 -1.689 6.585 -10.468 1.00 42.13 C ATOM 0 H ALA A 86 -1.313 4.950 -8.620 1.00 32.12 H new ATOM 0 HA ALA A 86 -3.662 5.950 -9.927 1.00 14.51 H new ATOM 0 HB1 ALA A 86 -2.008 7.094 -11.377 1.00 42.13 H new ATOM 0 HB2 ALA A 86 -1.636 7.303 -9.650 1.00 42.13 H new ATOM 0 HB3 ALA A 86 -0.706 6.142 -10.626 1.00 42.13 H new ATOM 1460 N GLU A 87 -2.209 3.356 -11.229 1.00 34.12 N ATOM 1461 CA GLU A 87 -2.344 2.262 -12.215 1.00 70.31 C ATOM 1462 C GLU A 87 -3.542 1.352 -11.871 1.00 15.43 C ATOM 1463 O GLU A 87 -3.859 0.440 -12.631 1.00 32.13 O ATOM 1464 CB GLU A 87 -1.031 1.426 -12.267 1.00 54.04 C ATOM 1465 CG GLU A 87 0.193 2.192 -12.804 1.00 12.32 C ATOM 1466 CD GLU A 87 1.494 1.375 -12.726 1.00 61.11 C ATOM 1467 OE1 GLU A 87 1.757 0.569 -13.644 1.00 51.41 O ATOM 1468 OE2 GLU A 87 2.268 1.536 -11.750 1.00 12.44 O ATOM 0 H GLU A 87 -1.547 3.147 -10.481 1.00 34.12 H new ATOM 0 HA GLU A 87 -2.525 2.704 -13.195 1.00 70.31 H new ATOM 0 HB2 GLU A 87 -0.806 1.064 -11.264 1.00 54.04 H new ATOM 0 HB3 GLU A 87 -1.198 0.549 -12.892 1.00 54.04 H new ATOM 0 HG2 GLU A 87 0.011 2.477 -13.840 1.00 12.32 H new ATOM 0 HG3 GLU A 87 0.315 3.115 -12.237 1.00 12.32 H new ATOM 1475 N LEU A 88 -4.190 1.591 -10.713 1.00 23.23 N ATOM 1476 CA LEU A 88 -5.351 0.783 -10.262 1.00 11.20 C ATOM 1477 C LEU A 88 -6.664 1.564 -10.439 1.00 41.12 C ATOM 1478 O LEU A 88 -7.715 0.962 -10.697 1.00 0.55 O ATOM 1479 CB LEU A 88 -5.163 0.351 -8.780 1.00 12.04 C ATOM 1480 CG LEU A 88 -3.884 -0.490 -8.454 1.00 22.32 C ATOM 1481 CD1 LEU A 88 -3.874 -0.932 -6.976 1.00 13.12 C ATOM 1482 CD2 LEU A 88 -3.721 -1.698 -9.410 1.00 10.53 C ATOM 0 H LEU A 88 -3.931 2.338 -10.069 1.00 23.23 H new ATOM 0 HA LEU A 88 -5.408 -0.113 -10.880 1.00 11.20 H new ATOM 0 HB2 LEU A 88 -5.147 1.249 -8.162 1.00 12.04 H new ATOM 0 HB3 LEU A 88 -6.037 -0.227 -8.480 1.00 12.04 H new ATOM 0 HG LEU A 88 -3.022 0.157 -8.616 1.00 22.32 H new ATOM 0 HD11 LEU A 88 -2.975 -1.515 -6.777 1.00 13.12 H new ATOM 0 HD12 LEU A 88 -3.886 -0.052 -6.333 1.00 13.12 H new ATOM 0 HD13 LEU A 88 -4.754 -1.542 -6.773 1.00 13.12 H new ATOM 0 HD21 LEU A 88 -2.820 -2.252 -9.146 1.00 10.53 H new ATOM 0 HD22 LEU A 88 -4.588 -2.352 -9.321 1.00 10.53 H new ATOM 0 HD23 LEU A 88 -3.639 -1.341 -10.437 1.00 10.53 H new ATOM 1494 N GLY A 89 -6.597 2.905 -10.317 1.00 24.52 N ATOM 1495 CA GLY A 89 -7.771 3.769 -10.509 1.00 34.44 C ATOM 1496 C GLY A 89 -7.822 4.979 -9.573 1.00 10.10 C ATOM 1497 O GLY A 89 -8.669 5.854 -9.761 1.00 64.11 O ATOM 0 H GLY A 89 -5.741 3.410 -10.086 1.00 24.52 H new ATOM 0 HA2 GLY A 89 -7.783 4.121 -11.540 1.00 34.44 H new ATOM 0 HA3 GLY A 89 -8.673 3.174 -10.364 1.00 34.44 H new ATOM 1501 N TYR A 90 -6.951 5.028 -8.544 1.00 70.01 N ATOM 1502 CA TYR A 90 -6.866 6.184 -7.618 1.00 45.41 C ATOM 1503 C TYR A 90 -6.163 7.382 -8.302 1.00 13.13 C ATOM 1504 O TYR A 90 -5.044 7.245 -8.790 1.00 1.40 O ATOM 1505 CB TYR A 90 -6.107 5.793 -6.326 1.00 3.13 C ATOM 1506 CG TYR A 90 -6.775 4.678 -5.497 1.00 41.32 C ATOM 1507 CD1 TYR A 90 -7.849 4.955 -4.643 1.00 2.22 C ATOM 1508 CD2 TYR A 90 -6.330 3.352 -5.564 1.00 24.24 C ATOM 1509 CE1 TYR A 90 -8.446 3.956 -3.890 1.00 14.10 C ATOM 1510 CE2 TYR A 90 -6.922 2.354 -4.811 1.00 42.21 C ATOM 1511 CZ TYR A 90 -7.980 2.659 -3.979 1.00 51.33 C ATOM 1512 OH TYR A 90 -8.573 1.662 -3.233 1.00 73.14 O ATOM 0 H TYR A 90 -6.293 4.279 -8.330 1.00 70.01 H new ATOM 0 HA TYR A 90 -7.881 6.479 -7.353 1.00 45.41 H new ATOM 0 HB2 TYR A 90 -5.100 5.473 -6.595 1.00 3.13 H new ATOM 0 HB3 TYR A 90 -6.003 6.679 -5.700 1.00 3.13 H new ATOM 0 HD1 TYR A 90 -8.220 5.967 -4.569 1.00 2.22 H new ATOM 0 HD2 TYR A 90 -5.507 3.103 -6.218 1.00 24.24 H new ATOM 0 HE1 TYR A 90 -9.273 4.191 -3.236 1.00 14.10 H new ATOM 0 HE2 TYR A 90 -6.557 1.339 -4.874 1.00 42.21 H new ATOM 0 HH TYR A 90 -9.519 1.878 -3.092 1.00 73.14 H new ATOM 1522 N ASN A 91 -6.818 8.560 -8.294 1.00 23.02 N ATOM 1523 CA ASN A 91 -6.342 9.766 -9.014 1.00 3.32 C ATOM 1524 C ASN A 91 -5.534 10.700 -8.077 1.00 61.41 C ATOM 1525 O ASN A 91 -6.132 11.523 -7.377 1.00 63.41 O ATOM 1526 CB ASN A 91 -7.535 10.571 -9.637 1.00 75.11 C ATOM 1527 CG ASN A 91 -8.332 9.842 -10.723 1.00 54.24 C ATOM 1528 OD1 ASN A 91 -8.667 10.420 -11.763 1.00 43.42 O ATOM 1529 ND2 ASN A 91 -8.709 8.600 -10.476 1.00 4.34 N ATOM 0 H ASN A 91 -7.692 8.706 -7.789 1.00 23.02 H new ATOM 0 HA ASN A 91 -5.693 9.415 -9.816 1.00 3.32 H new ATOM 0 HB2 ASN A 91 -8.219 10.850 -8.835 1.00 75.11 H new ATOM 0 HB3 ASN A 91 -7.144 11.497 -10.059 1.00 75.11 H new ATOM 0 HD21 ASN A 91 -9.288 8.099 -11.150 1.00 4.34 H new ATOM 0 HD22 ASN A 91 -8.421 8.142 -9.611 1.00 4.34 H new ATOM 1536 N ASP A 92 -4.194 10.507 -8.038 1.00 65.31 N ATOM 1537 CA ASP A 92 -3.211 11.468 -7.456 1.00 73.04 C ATOM 1538 C ASP A 92 -3.512 11.866 -5.980 1.00 4.54 C ATOM 1539 O ASP A 92 -2.921 11.305 -5.052 1.00 11.52 O ATOM 1540 CB ASP A 92 -3.078 12.719 -8.392 1.00 13.24 C ATOM 1541 CG ASP A 92 -2.233 13.873 -7.801 1.00 1.40 C ATOM 1542 OD1 ASP A 92 -1.005 13.707 -7.654 1.00 4.04 O ATOM 1543 OD2 ASP A 92 -2.795 14.944 -7.478 1.00 64.53 O ATOM 0 H ASP A 92 -3.753 9.668 -8.414 1.00 65.31 H new ATOM 0 HA ASP A 92 -2.250 10.955 -7.407 1.00 73.04 H new ATOM 0 HB2 ASP A 92 -2.633 12.405 -9.336 1.00 13.24 H new ATOM 0 HB3 ASP A 92 -4.075 13.095 -8.620 1.00 13.24 H new ATOM 1548 N SER A 93 -4.446 12.826 -5.787 1.00 13.20 N ATOM 1549 CA SER A 93 -4.795 13.391 -4.467 1.00 34.13 C ATOM 1550 C SER A 93 -5.476 12.365 -3.526 1.00 33.01 C ATOM 1551 O SER A 93 -5.605 12.622 -2.324 1.00 50.13 O ATOM 1552 CB SER A 93 -5.689 14.624 -4.672 1.00 31.35 C ATOM 1553 OG SER A 93 -5.077 15.566 -5.545 1.00 50.21 O ATOM 0 H SER A 93 -4.983 13.233 -6.553 1.00 13.20 H new ATOM 0 HA SER A 93 -3.867 13.677 -3.971 1.00 34.13 H new ATOM 0 HB2 SER A 93 -6.650 14.315 -5.083 1.00 31.35 H new ATOM 0 HB3 SER A 93 -5.890 15.094 -3.709 1.00 31.35 H new ATOM 0 HG SER A 93 -5.669 16.339 -5.659 1.00 50.21 H new ATOM 1559 N ASN A 94 -5.923 11.218 -4.087 1.00 63.31 N ATOM 1560 CA ASN A 94 -6.368 10.043 -3.292 1.00 23.41 C ATOM 1561 C ASN A 94 -5.257 9.592 -2.316 1.00 33.03 C ATOM 1562 O ASN A 94 -5.528 9.224 -1.182 1.00 42.02 O ATOM 1563 CB ASN A 94 -6.744 8.859 -4.230 1.00 73.51 C ATOM 1564 CG ASN A 94 -8.021 9.100 -5.050 1.00 64.44 C ATOM 1565 OD1 ASN A 94 -8.005 9.811 -6.045 1.00 51.02 O ATOM 1566 ND2 ASN A 94 -9.125 8.475 -4.677 1.00 2.23 N ATOM 0 H ASN A 94 -5.986 11.078 -5.095 1.00 63.31 H new ATOM 0 HA ASN A 94 -7.247 10.340 -2.719 1.00 23.41 H new ATOM 0 HB2 ASN A 94 -5.915 8.671 -4.912 1.00 73.51 H new ATOM 0 HB3 ASN A 94 -6.873 7.959 -3.629 1.00 73.51 H new ATOM 0 HD21 ASN A 94 -9.981 8.582 -5.222 1.00 2.23 H new ATOM 0 HD22 ASN A 94 -9.121 7.886 -3.844 1.00 2.23 H new ATOM 1573 N VAL A 95 -4.002 9.680 -2.791 1.00 14.11 N ATOM 1574 CA VAL A 95 -2.791 9.211 -2.086 1.00 42.31 C ATOM 1575 C VAL A 95 -2.084 10.402 -1.393 1.00 62.21 C ATOM 1576 O VAL A 95 -1.697 11.354 -2.074 1.00 60.13 O ATOM 1577 CB VAL A 95 -1.804 8.551 -3.133 1.00 71.45 C ATOM 1578 CG1 VAL A 95 -0.544 7.947 -2.467 1.00 33.10 C ATOM 1579 CG2 VAL A 95 -2.539 7.503 -3.998 1.00 30.53 C ATOM 0 H VAL A 95 -3.794 10.091 -3.701 1.00 14.11 H new ATOM 0 HA VAL A 95 -3.076 8.479 -1.330 1.00 42.31 H new ATOM 0 HB VAL A 95 -1.454 9.351 -3.786 1.00 71.45 H new ATOM 0 HG11 VAL A 95 0.097 7.508 -3.232 1.00 33.10 H new ATOM 0 HG12 VAL A 95 0.002 8.731 -1.942 1.00 33.10 H new ATOM 0 HG13 VAL A 95 -0.842 7.175 -1.757 1.00 33.10 H new ATOM 0 HG21 VAL A 95 -1.840 7.064 -4.710 1.00 30.53 H new ATOM 0 HG22 VAL A 95 -2.943 6.720 -3.356 1.00 30.53 H new ATOM 0 HG23 VAL A 95 -3.353 7.985 -4.540 1.00 30.53 H new ATOM 1589 N THR A 96 -1.959 10.382 -0.044 1.00 40.51 N ATOM 1590 CA THR A 96 -1.180 11.403 0.705 1.00 65.21 C ATOM 1591 C THR A 96 -0.476 10.763 1.923 1.00 35.01 C ATOM 1592 O THR A 96 -1.127 10.085 2.722 1.00 73.51 O ATOM 1593 CB THR A 96 -2.094 12.594 1.168 1.00 22.44 C ATOM 1594 OG1 THR A 96 -2.785 13.154 0.034 1.00 24.11 O ATOM 1595 CG2 THR A 96 -1.290 13.710 1.870 1.00 11.41 C ATOM 0 H THR A 96 -2.387 9.671 0.549 1.00 40.51 H new ATOM 0 HA THR A 96 -0.423 11.802 0.031 1.00 65.21 H new ATOM 0 HB THR A 96 -2.807 12.190 1.886 1.00 22.44 H new ATOM 0 HG1 THR A 96 -3.354 13.895 0.331 1.00 24.11 H new ATOM 0 HG21 THR A 96 -1.966 14.511 2.171 1.00 11.41 H new ATOM 0 HG22 THR A 96 -0.795 13.302 2.751 1.00 11.41 H new ATOM 0 HG23 THR A 96 -0.542 14.106 1.184 1.00 11.41 H new ATOM 1603 N TRP A 97 0.848 10.988 2.041 1.00 71.43 N ATOM 1604 CA TRP A 97 1.692 10.443 3.136 1.00 43.23 C ATOM 1605 C TRP A 97 1.688 11.368 4.365 1.00 73.41 C ATOM 1606 O TRP A 97 1.508 12.585 4.232 1.00 40.52 O ATOM 1607 CB TRP A 97 3.154 10.232 2.645 1.00 3.53 C ATOM 1608 CG TRP A 97 3.344 8.972 1.843 1.00 25.50 C ATOM 1609 CD1 TRP A 97 2.919 8.728 0.566 1.00 13.31 C ATOM 1610 CD2 TRP A 97 4.000 7.771 2.284 1.00 32.21 C ATOM 1611 NE1 TRP A 97 3.240 7.444 0.204 1.00 53.22 N ATOM 1612 CE2 TRP A 97 3.923 6.845 1.234 1.00 1.44 C ATOM 1613 CE3 TRP A 97 4.645 7.396 3.468 1.00 43.10 C ATOM 1614 CZ2 TRP A 97 4.461 5.567 1.330 1.00 43.02 C ATOM 1615 CZ3 TRP A 97 5.183 6.126 3.558 1.00 72.43 C ATOM 1616 CH2 TRP A 97 5.090 5.228 2.495 1.00 14.43 C ATOM 0 H TRP A 97 1.371 11.557 1.376 1.00 71.43 H new ATOM 0 HA TRP A 97 1.267 9.483 3.428 1.00 43.23 H new ATOM 0 HB2 TRP A 97 3.452 11.087 2.038 1.00 3.53 H new ATOM 0 HB3 TRP A 97 3.819 10.207 3.509 1.00 3.53 H new ATOM 0 HD1 TRP A 97 2.407 9.440 -0.064 1.00 13.31 H new ATOM 0 HE1 TRP A 97 3.009 7.005 -0.687 1.00 53.22 H new ATOM 0 HE3 TRP A 97 4.721 8.086 4.296 1.00 43.10 H new ATOM 0 HZ2 TRP A 97 4.385 4.866 0.512 1.00 43.02 H new ATOM 0 HZ3 TRP A 97 5.683 5.824 4.466 1.00 72.43 H new ATOM 0 HH2 TRP A 97 5.524 4.244 2.595 1.00 14.43 H new ATOM 1627 N ASP A 98 1.901 10.767 5.551 1.00 32.33 N ATOM 1628 CA ASP A 98 1.987 11.482 6.837 1.00 42.34 C ATOM 1629 C ASP A 98 2.722 10.592 7.859 1.00 44.41 C ATOM 1630 O ASP A 98 2.109 9.716 8.480 1.00 30.21 O ATOM 1631 CB ASP A 98 0.576 11.874 7.361 1.00 73.03 C ATOM 1632 CG ASP A 98 0.607 12.712 8.656 1.00 14.53 C ATOM 1633 OD1 ASP A 98 1.013 13.892 8.604 1.00 61.44 O ATOM 1634 OD2 ASP A 98 0.223 12.212 9.735 1.00 32.55 O ATOM 0 H ASP A 98 2.020 9.758 5.643 1.00 32.33 H new ATOM 0 HA ASP A 98 2.545 12.407 6.692 1.00 42.34 H new ATOM 0 HB2 ASP A 98 0.054 12.436 6.587 1.00 73.03 H new ATOM 0 HB3 ASP A 98 -0.001 10.967 7.539 1.00 73.03 H new ATOM 1639 N GLY A 99 4.052 10.777 7.950 1.00 3.33 N ATOM 1640 CA GLY A 99 4.903 10.059 8.910 1.00 30.30 C ATOM 1641 C GLY A 99 4.858 8.539 8.747 1.00 73.25 C ATOM 1642 O GLY A 99 4.444 7.827 9.667 1.00 4.51 O ATOM 0 H GLY A 99 4.565 11.430 7.358 1.00 3.33 H new ATOM 0 HA2 GLY A 99 5.932 10.398 8.796 1.00 30.30 H new ATOM 0 HA3 GLY A 99 4.593 10.317 9.923 1.00 30.30 H new ATOM 1646 N ASP A 100 5.225 8.068 7.536 1.00 3.34 N ATOM 1647 CA ASP A 100 5.269 6.624 7.159 1.00 12.00 C ATOM 1648 C ASP A 100 3.875 5.997 7.017 1.00 45.33 C ATOM 1649 O ASP A 100 3.768 4.802 6.744 1.00 61.41 O ATOM 1650 CB ASP A 100 6.162 5.771 8.117 1.00 11.02 C ATOM 1651 CG ASP A 100 7.629 6.202 8.099 1.00 34.34 C ATOM 1652 OD1 ASP A 100 8.198 6.297 6.997 1.00 53.14 O ATOM 1653 OD2 ASP A 100 8.237 6.411 9.170 1.00 23.33 O ATOM 0 H ASP A 100 5.505 8.685 6.774 1.00 3.34 H new ATOM 0 HA ASP A 100 5.736 6.608 6.174 1.00 12.00 H new ATOM 0 HB2 ASP A 100 5.777 5.852 9.133 1.00 11.02 H new ATOM 0 HB3 ASP A 100 6.093 4.721 7.832 1.00 11.02 H new ATOM 1658 N THR A 101 2.820 6.806 7.171 1.00 2.11 N ATOM 1659 CA THR A 101 1.432 6.352 7.061 1.00 31.53 C ATOM 1660 C THR A 101 0.747 7.118 5.922 1.00 11.13 C ATOM 1661 O THR A 101 0.528 8.328 6.032 1.00 74.24 O ATOM 1662 CB THR A 101 0.672 6.579 8.408 1.00 32.30 C ATOM 1663 OG1 THR A 101 1.394 5.959 9.490 1.00 12.22 O ATOM 1664 CG2 THR A 101 -0.759 6.019 8.374 1.00 73.13 C ATOM 0 H THR A 101 2.908 7.801 7.377 1.00 2.11 H new ATOM 0 HA THR A 101 1.415 5.284 6.844 1.00 31.53 H new ATOM 0 HB THR A 101 0.608 7.656 8.560 1.00 32.30 H new ATOM 0 HG1 THR A 101 0.913 6.107 10.331 1.00 12.22 H new ATOM 0 HG21 THR A 101 -1.244 6.202 9.333 1.00 73.13 H new ATOM 0 HG22 THR A 101 -1.324 6.511 7.582 1.00 73.13 H new ATOM 0 HG23 THR A 101 -0.726 4.946 8.183 1.00 73.13 H new ATOM 1672 N VAL A 102 0.434 6.421 4.827 1.00 72.13 N ATOM 1673 CA VAL A 102 -0.226 7.022 3.663 1.00 61.04 C ATOM 1674 C VAL A 102 -1.730 6.703 3.705 1.00 72.12 C ATOM 1675 O VAL A 102 -2.127 5.538 3.724 1.00 2.42 O ATOM 1676 CB VAL A 102 0.424 6.544 2.312 1.00 53.41 C ATOM 1677 CG1 VAL A 102 0.440 5.011 2.162 1.00 20.45 C ATOM 1678 CG2 VAL A 102 -0.253 7.217 1.100 1.00 35.54 C ATOM 0 H VAL A 102 0.630 5.426 4.721 1.00 72.13 H new ATOM 0 HA VAL A 102 -0.091 8.103 3.707 1.00 61.04 H new ATOM 0 HB VAL A 102 1.467 6.860 2.342 1.00 53.41 H new ATOM 0 HG11 VAL A 102 0.900 4.743 1.211 1.00 20.45 H new ATOM 0 HG12 VAL A 102 1.013 4.571 2.979 1.00 20.45 H new ATOM 0 HG13 VAL A 102 -0.582 4.632 2.190 1.00 20.45 H new ATOM 0 HG21 VAL A 102 0.217 6.868 0.181 1.00 35.54 H new ATOM 0 HG22 VAL A 102 -1.312 6.961 1.086 1.00 35.54 H new ATOM 0 HG23 VAL A 102 -0.142 8.299 1.176 1.00 35.54 H new ATOM 1688 N THR A 103 -2.559 7.748 3.759 1.00 73.15 N ATOM 1689 CA THR A 103 -4.012 7.622 3.730 1.00 2.43 C ATOM 1690 C THR A 103 -4.475 7.732 2.268 1.00 2.40 C ATOM 1691 O THR A 103 -4.433 8.817 1.667 1.00 1.42 O ATOM 1692 CB THR A 103 -4.678 8.720 4.621 1.00 71.34 C ATOM 1693 OG1 THR A 103 -4.200 8.587 5.969 1.00 50.02 O ATOM 1694 CG2 THR A 103 -6.214 8.638 4.618 1.00 71.14 C ATOM 0 H THR A 103 -2.234 8.713 3.825 1.00 73.15 H new ATOM 0 HA THR A 103 -4.314 6.656 4.135 1.00 2.43 H new ATOM 0 HB THR A 103 -4.404 9.689 4.203 1.00 71.34 H new ATOM 0 HG1 THR A 103 -4.613 9.274 6.532 1.00 50.02 H new ATOM 0 HG21 THR A 103 -6.622 9.424 5.253 1.00 71.14 H new ATOM 0 HG22 THR A 103 -6.583 8.766 3.600 1.00 71.14 H new ATOM 0 HG23 THR A 103 -6.527 7.666 4.998 1.00 71.14 H new ATOM 1702 N VAL A 104 -4.831 6.581 1.687 1.00 24.45 N ATOM 1703 CA VAL A 104 -5.320 6.469 0.308 1.00 23.52 C ATOM 1704 C VAL A 104 -6.809 6.154 0.351 1.00 65.52 C ATOM 1705 O VAL A 104 -7.202 5.043 0.721 1.00 72.35 O ATOM 1706 CB VAL A 104 -4.565 5.341 -0.497 1.00 44.31 C ATOM 1707 CG1 VAL A 104 -5.037 5.267 -1.974 1.00 10.44 C ATOM 1708 CG2 VAL A 104 -3.043 5.543 -0.407 1.00 23.50 C ATOM 0 H VAL A 104 -4.787 5.684 2.171 1.00 24.45 H new ATOM 0 HA VAL A 104 -5.134 7.413 -0.204 1.00 23.52 H new ATOM 0 HB VAL A 104 -4.813 4.384 -0.038 1.00 44.31 H new ATOM 0 HG11 VAL A 104 -4.492 4.478 -2.491 1.00 10.44 H new ATOM 0 HG12 VAL A 104 -6.105 5.050 -2.004 1.00 10.44 H new ATOM 0 HG13 VAL A 104 -4.846 6.221 -2.465 1.00 10.44 H new ATOM 0 HG21 VAL A 104 -2.538 4.756 -0.968 1.00 23.50 H new ATOM 0 HG22 VAL A 104 -2.779 6.514 -0.826 1.00 23.50 H new ATOM 0 HG23 VAL A 104 -2.732 5.502 0.637 1.00 23.50 H new ATOM 1718 N GLU A 105 -7.639 7.121 -0.035 1.00 31.04 N ATOM 1719 CA GLU A 105 -9.098 6.980 0.032 1.00 30.34 C ATOM 1720 C GLU A 105 -9.738 7.499 -1.250 1.00 2.33 C ATOM 1721 O GLU A 105 -9.227 8.437 -1.872 1.00 62.32 O ATOM 1722 CB GLU A 105 -9.659 7.703 1.287 1.00 12.41 C ATOM 1723 CG GLU A 105 -9.345 9.209 1.372 1.00 51.53 C ATOM 1724 CD GLU A 105 -9.905 9.856 2.645 1.00 12.34 C ATOM 1725 OE1 GLU A 105 -11.133 10.094 2.715 1.00 41.43 O ATOM 1726 OE2 GLU A 105 -9.139 10.103 3.594 1.00 13.53 O ATOM 0 H GLU A 105 -7.325 8.020 -0.401 1.00 31.04 H new ATOM 0 HA GLU A 105 -9.348 5.923 0.124 1.00 30.34 H new ATOM 0 HB2 GLU A 105 -10.741 7.572 1.309 1.00 12.41 H new ATOM 0 HB3 GLU A 105 -9.261 7.214 2.176 1.00 12.41 H new ATOM 0 HG2 GLU A 105 -8.265 9.354 1.340 1.00 51.53 H new ATOM 0 HG3 GLU A 105 -9.760 9.713 0.499 1.00 51.53 H new ATOM 1733 N GLY A 106 -10.852 6.873 -1.639 1.00 64.23 N ATOM 1734 CA GLY A 106 -11.553 7.222 -2.863 1.00 60.22 C ATOM 1735 C GLY A 106 -12.607 6.203 -3.232 1.00 51.42 C ATOM 1736 O GLY A 106 -13.058 5.417 -2.379 1.00 72.12 O ATOM 0 H GLY A 106 -11.286 6.115 -1.113 1.00 64.23 H new ATOM 0 HA2 GLY A 106 -12.021 8.199 -2.745 1.00 60.22 H new ATOM 0 HA3 GLY A 106 -10.835 7.310 -3.678 1.00 60.22 H new ATOM 1740 N GLN A 107 -12.999 6.223 -4.513 1.00 51.23 N ATOM 1741 CA GLN A 107 -14.085 5.392 -5.036 1.00 24.43 C ATOM 1742 C GLN A 107 -13.569 4.009 -5.509 1.00 33.05 C ATOM 1743 O GLN A 107 -12.695 3.902 -6.385 1.00 55.21 O ATOM 1744 CB GLN A 107 -14.845 6.150 -6.162 1.00 1.13 C ATOM 1745 CG GLN A 107 -13.982 6.591 -7.367 1.00 12.21 C ATOM 1746 CD GLN A 107 -14.711 7.505 -8.360 1.00 70.34 C ATOM 1747 OE1 GLN A 107 -15.937 7.458 -8.499 1.00 3.43 O ATOM 1748 NE2 GLN A 107 -13.955 8.312 -9.092 1.00 0.25 N ATOM 0 H GLN A 107 -12.567 6.821 -5.218 1.00 51.23 H new ATOM 0 HA GLN A 107 -14.790 5.196 -4.228 1.00 24.43 H new ATOM 0 HB2 GLN A 107 -15.649 5.511 -6.528 1.00 1.13 H new ATOM 0 HB3 GLN A 107 -15.313 7.034 -5.729 1.00 1.13 H new ATOM 0 HG2 GLN A 107 -13.097 7.108 -6.996 1.00 12.21 H new ATOM 0 HG3 GLN A 107 -13.634 5.703 -7.895 1.00 12.21 H new ATOM 0 HE21 GLN A 107 -12.945 8.329 -8.954 1.00 0.25 H new ATOM 0 HE22 GLN A 107 -14.384 8.916 -9.793 1.00 0.25 H new