USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 TYR OH : rot 180:sc= 0.721 USER MOD Set 1.2: A 76 LYS NZ :NH3+ -167:sc= 0.856 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.0405 K(o=-0.04,f=-0.62) USER MOD Single : A 5 LYS NZ :NH3+ 165:sc= -0.0515 (180deg=-0.304) USER MOD Single : A 6 ASN : amide:sc= -0.193 K(o=-0.19,f=-2) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 175:sc= 0 (180deg=-0.0196) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 19 CYS SG : rot -176:sc= 0.355 USER MOD Single : A 20 THR OG1 : rot 61:sc= 0.542 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 160:sc= -0.746 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 139:sc= 1.53 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0015 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 32:sc= 0.71 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot -28:sc= 0.128 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.2 USER MOD Single : A 45 SER OG : rot 85:sc= 1.23 USER MOD Single : A 47 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0706) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0249 K(o=-0.025,f=-0.77) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0641 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -133:sc= 1.22 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 46 N ASN A 4 22.168 23.461 28.329 1.00 0.00 N ATOM 47 CA ASN A 4 22.799 22.227 27.898 1.00 0.00 C ATOM 48 C ASN A 4 24.069 21.919 28.698 1.00 0.00 C ATOM 49 O ASN A 4 24.976 22.749 28.771 1.00 0.00 O ATOM 50 CB ASN A 4 23.237 22.334 26.437 1.00 0.00 C ATOM 51 CG ASN A 4 22.066 22.495 25.487 1.00 0.00 C ATOM 52 OD1 ASN A 4 20.912 22.543 25.911 1.00 0.00 O ATOM 53 ND2 ASN A 4 22.359 22.578 24.195 1.00 0.00 N ATOM 0 HA ASN A 4 22.057 21.443 28.047 1.00 0.00 H new ATOM 0 HB2 ASN A 4 23.910 23.184 26.325 1.00 0.00 H new ATOM 0 HB3 ASN A 4 23.801 21.442 26.164 1.00 0.00 H new ATOM 0 HD21 ASN A 4 21.612 22.686 23.509 1.00 0.00 H new ATOM 0 HD22 ASN A 4 23.331 22.534 23.889 1.00 0.00 H new ATOM 60 N LYS A 5 24.140 20.727 29.287 1.00 0.00 N ATOM 61 CA LYS A 5 25.289 20.331 30.087 1.00 0.00 C ATOM 62 C LYS A 5 26.411 19.730 29.261 1.00 0.00 C ATOM 63 O LYS A 5 27.377 19.194 29.804 1.00 0.00 O ATOM 64 CB LYS A 5 24.825 19.325 31.143 1.00 0.00 C ATOM 65 CG LYS A 5 23.852 19.897 32.161 1.00 0.00 C ATOM 66 CD LYS A 5 24.500 20.997 32.987 1.00 0.00 C ATOM 67 CE LYS A 5 23.562 21.510 34.067 1.00 0.00 C ATOM 68 NZ LYS A 5 23.189 20.444 35.038 1.00 0.00 N1+ ATOM 0 H LYS A 5 23.410 20.018 29.223 1.00 0.00 H new ATOM 0 HA LYS A 5 25.695 21.229 30.552 1.00 0.00 H new ATOM 0 HB2 LYS A 5 24.354 18.480 30.641 1.00 0.00 H new ATOM 0 HB3 LYS A 5 25.698 18.938 31.669 1.00 0.00 H new ATOM 0 HG2 LYS A 5 22.976 20.293 31.647 1.00 0.00 H new ATOM 0 HG3 LYS A 5 23.503 19.102 32.820 1.00 0.00 H new ATOM 0 HD2 LYS A 5 25.413 20.618 33.447 1.00 0.00 H new ATOM 0 HD3 LYS A 5 24.790 21.821 32.334 1.00 0.00 H new ATOM 0 HE2 LYS A 5 24.038 22.334 34.599 1.00 0.00 H new ATOM 0 HE3 LYS A 5 22.660 21.909 33.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 22.767 20.877 35.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 22.501 19.800 34.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 24.039 19.909 35.310 1.00 0.00 H new ATOM 82 N ASN A 6 26.357 19.917 27.946 1.00 0.00 N ATOM 83 CA ASN A 6 27.441 19.428 27.105 1.00 0.00 C ATOM 84 C ASN A 6 28.365 20.605 26.715 1.00 0.00 C ATOM 85 O ASN A 6 29.465 20.709 27.258 1.00 0.00 O ATOM 86 CB ASN A 6 26.904 18.661 25.888 1.00 0.00 C ATOM 87 CG ASN A 6 28.009 18.187 24.964 1.00 0.00 C ATOM 88 OD1 ASN A 6 29.188 18.221 25.318 1.00 0.00 O ATOM 89 ND2 ASN A 6 27.632 17.742 23.771 1.00 0.00 N ATOM 0 H ASN A 6 25.599 20.389 27.453 1.00 0.00 H new ATOM 0 HA ASN A 6 28.038 18.710 27.667 1.00 0.00 H new ATOM 0 HB2 ASN A 6 26.328 17.801 26.230 1.00 0.00 H new ATOM 0 HB3 ASN A 6 26.220 19.302 25.332 1.00 0.00 H new ATOM 0 HD21 ASN A 6 28.331 17.410 23.106 1.00 0.00 H new ATOM 0 HD22 ASN A 6 26.644 17.732 23.520 1.00 0.00 H new ATOM 96 N GLU A 7 27.953 21.484 25.797 1.00 0.00 N ATOM 97 CA GLU A 7 28.789 22.627 25.424 1.00 0.00 C ATOM 98 C GLU A 7 28.915 23.657 26.551 1.00 0.00 C ATOM 99 O GLU A 7 29.997 24.174 26.831 1.00 0.00 O ATOM 100 CB GLU A 7 28.233 23.305 24.169 1.00 0.00 C ATOM 101 CG GLU A 7 28.321 22.456 22.912 1.00 0.00 C ATOM 102 CD GLU A 7 27.696 23.130 21.706 1.00 0.00 C ATOM 103 OE1 GLU A 7 27.029 24.170 21.885 1.00 0.00 O ATOM 104 OE2 GLU A 7 27.873 22.620 20.580 1.00 0.00 O ATOM 0 H GLU A 7 27.061 21.428 25.306 1.00 0.00 H new ATOM 0 HA GLU A 7 29.786 22.235 25.224 1.00 0.00 H new ATOM 0 HB2 GLU A 7 27.190 23.568 24.344 1.00 0.00 H new ATOM 0 HB3 GLU A 7 28.774 24.237 24.003 1.00 0.00 H new ATOM 0 HG2 GLU A 7 29.367 22.237 22.699 1.00 0.00 H new ATOM 0 HG3 GLU A 7 27.825 21.502 23.088 1.00 0.00 H new ATOM 111 N TYR A 8 27.780 23.936 27.183 1.00 0.00 N ATOM 112 CA TYR A 8 27.689 24.913 28.281 1.00 0.00 C ATOM 113 C TYR A 8 28.397 24.421 29.547 1.00 0.00 C ATOM 114 O TYR A 8 28.824 25.234 30.362 1.00 0.00 O ATOM 115 CB TYR A 8 26.209 25.267 28.515 1.00 0.00 C ATOM 116 CG TYR A 8 25.949 26.730 28.797 1.00 0.00 C ATOM 117 CD1 TYR A 8 26.150 27.230 30.093 1.00 0.00 C ATOM 118 CD2 TYR A 8 25.496 27.586 27.775 1.00 0.00 C ATOM 119 CE1 TYR A 8 25.931 28.594 30.370 1.00 0.00 C ATOM 120 CE2 TYR A 8 25.267 28.950 28.046 1.00 0.00 C ATOM 121 CZ TYR A 8 25.492 29.456 29.345 1.00 0.00 C ATOM 122 OH TYR A 8 25.284 30.773 29.605 1.00 0.00 O ATOM 0 H TYR A 8 26.890 23.494 26.953 1.00 0.00 H new ATOM 0 HA TYR A 8 28.217 25.824 28.000 1.00 0.00 H new ATOM 0 HB2 TYR A 8 25.635 24.972 27.636 1.00 0.00 H new ATOM 0 HB3 TYR A 8 25.836 24.677 29.352 1.00 0.00 H new ATOM 0 HD1 TYR A 8 26.474 26.566 30.881 1.00 0.00 H new ATOM 0 HD2 TYR A 8 25.324 27.197 26.782 1.00 0.00 H new ATOM 0 HE1 TYR A 8 26.099 28.978 31.365 1.00 0.00 H new ATOM 0 HE2 TYR A 8 24.920 29.607 27.262 1.00 0.00 H new ATOM 0 HH TYR A 8 24.984 31.224 28.788 1.00 0.00 H new ATOM 132 N LYS A 9 28.668 23.110 29.646 1.00 0.00 N ATOM 133 CA LYS A 9 29.597 22.511 30.616 1.00 0.00 C ATOM 134 C LYS A 9 30.893 23.320 30.748 1.00 0.00 C ATOM 135 O LYS A 9 31.344 23.588 31.853 1.00 0.00 O ATOM 136 CB LYS A 9 29.955 21.090 30.155 1.00 0.00 C ATOM 137 CG LYS A 9 30.447 20.208 31.309 1.00 0.00 C ATOM 138 CD LYS A 9 30.763 18.766 30.874 1.00 0.00 C ATOM 139 CE LYS A 9 31.277 17.901 32.032 1.00 0.00 C ATOM 140 NZ LYS A 9 31.589 16.504 31.633 1.00 0.00 N1+ ATOM 0 H LYS A 9 28.234 22.418 29.035 1.00 0.00 H new ATOM 0 HA LYS A 9 29.101 22.500 31.587 1.00 0.00 H new ATOM 0 HB2 LYS A 9 29.081 20.629 29.696 1.00 0.00 H new ATOM 0 HB3 LYS A 9 30.727 21.144 29.387 1.00 0.00 H new ATOM 0 HG2 LYS A 9 31.341 20.654 31.744 1.00 0.00 H new ATOM 0 HG3 LYS A 9 29.688 20.187 32.092 1.00 0.00 H new ATOM 0 HD2 LYS A 9 29.865 18.311 30.456 1.00 0.00 H new ATOM 0 HD3 LYS A 9 31.510 18.785 30.080 1.00 0.00 H new ATOM 0 HE2 LYS A 9 32.173 18.361 32.449 1.00 0.00 H new ATOM 0 HE3 LYS A 9 30.529 17.886 32.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 31.931 15.975 32.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 30.731 16.049 31.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 32.324 16.509 30.898 1.00 0.00 H new ATOM 154 N ILE A 10 31.456 23.760 29.617 1.00 0.00 N ATOM 155 CA ILE A 10 32.684 24.562 29.540 1.00 0.00 C ATOM 156 C ILE A 10 32.552 25.860 30.344 1.00 0.00 C ATOM 157 O ILE A 10 33.381 26.143 31.204 1.00 0.00 O ATOM 158 CB ILE A 10 33.004 24.879 28.066 1.00 0.00 C ATOM 159 CG1 ILE A 10 33.458 23.605 27.327 1.00 0.00 C ATOM 160 CG2 ILE A 10 34.070 25.981 27.972 1.00 0.00 C ATOM 161 CD1 ILE A 10 33.294 23.713 25.811 1.00 0.00 C ATOM 0 H ILE A 10 31.057 23.562 28.700 1.00 0.00 H new ATOM 0 HA ILE A 10 33.500 23.984 29.973 1.00 0.00 H new ATOM 0 HB ILE A 10 32.098 25.245 27.584 1.00 0.00 H new ATOM 0 HG12 ILE A 10 34.504 23.407 27.562 1.00 0.00 H new ATOM 0 HG13 ILE A 10 32.882 22.754 27.691 1.00 0.00 H new ATOM 0 HG21 ILE A 10 34.284 26.192 26.924 1.00 0.00 H new ATOM 0 HG22 ILE A 10 33.702 26.885 28.457 1.00 0.00 H new ATOM 0 HG23 ILE A 10 34.982 25.649 28.468 1.00 0.00 H new ATOM 0 HD11 ILE A 10 33.629 22.788 25.342 1.00 0.00 H new ATOM 0 HD12 ILE A 10 32.245 23.883 25.570 1.00 0.00 H new ATOM 0 HD13 ILE A 10 33.891 24.545 25.439 1.00 0.00 H new ATOM 173 N LEU A 11 31.497 26.630 30.058 1.00 0.00 N ATOM 174 CA LEU A 11 31.192 27.908 30.704 1.00 0.00 C ATOM 175 C LEU A 11 30.971 27.722 32.221 1.00 0.00 C ATOM 176 O LEU A 11 31.302 28.593 33.024 1.00 0.00 O ATOM 177 CB LEU A 11 29.957 28.512 29.995 1.00 0.00 C ATOM 178 CG LEU A 11 30.198 28.967 28.532 1.00 0.00 C ATOM 179 CD1 LEU A 11 28.878 29.258 27.833 1.00 0.00 C ATOM 180 CD2 LEU A 11 31.080 30.213 28.440 1.00 0.00 C ATOM 0 H LEU A 11 30.811 26.372 29.348 1.00 0.00 H new ATOM 0 HA LEU A 11 32.031 28.598 30.609 1.00 0.00 H new ATOM 0 HB2 LEU A 11 29.155 27.774 30.002 1.00 0.00 H new ATOM 0 HB3 LEU A 11 29.608 29.368 30.573 1.00 0.00 H new ATOM 0 HG LEU A 11 30.714 28.142 28.041 1.00 0.00 H new ATOM 0 HD11 LEU A 11 29.071 29.575 26.808 1.00 0.00 H new ATOM 0 HD12 LEU A 11 28.265 28.357 27.824 1.00 0.00 H new ATOM 0 HD13 LEU A 11 28.351 30.050 28.365 1.00 0.00 H new ATOM 0 HD21 LEU A 11 31.215 30.486 27.394 1.00 0.00 H new ATOM 0 HD22 LEU A 11 30.603 31.036 28.971 1.00 0.00 H new ATOM 0 HD23 LEU A 11 32.051 30.005 28.889 1.00 0.00 H new ATOM 192 N ILE A 12 30.481 26.545 32.613 1.00 0.00 N ATOM 193 CA ILE A 12 30.241 26.156 34.011 1.00 0.00 C ATOM 194 C ILE A 12 31.555 25.806 34.732 1.00 0.00 C ATOM 195 O ILE A 12 31.738 26.194 35.886 1.00 0.00 O ATOM 196 CB ILE A 12 29.194 25.019 34.079 1.00 0.00 C ATOM 197 CG1 ILE A 12 27.852 25.501 33.477 1.00 0.00 C ATOM 198 CG2 ILE A 12 28.991 24.531 35.527 1.00 0.00 C ATOM 199 CD1 ILE A 12 26.882 24.366 33.133 1.00 0.00 C ATOM 0 H ILE A 12 30.231 25.811 31.950 1.00 0.00 H new ATOM 0 HA ILE A 12 29.825 27.009 34.547 1.00 0.00 H new ATOM 0 HB ILE A 12 29.565 24.177 33.495 1.00 0.00 H new ATOM 0 HG12 ILE A 12 27.370 26.176 34.184 1.00 0.00 H new ATOM 0 HG13 ILE A 12 28.056 26.077 32.575 1.00 0.00 H new ATOM 0 HG21 ILE A 12 28.250 23.732 35.541 1.00 0.00 H new ATOM 0 HG22 ILE A 12 29.936 24.156 35.920 1.00 0.00 H new ATOM 0 HG23 ILE A 12 28.644 25.359 36.145 1.00 0.00 H new ATOM 0 HD11 ILE A 12 25.966 24.784 32.716 1.00 0.00 H new ATOM 0 HD12 ILE A 12 27.343 23.702 32.402 1.00 0.00 H new ATOM 0 HD13 ILE A 12 26.646 23.803 34.036 1.00 0.00 H new ATOM 211 N MET A 13 32.510 25.157 34.054 1.00 0.00 N ATOM 212 CA MET A 13 33.831 24.876 34.631 1.00 0.00 C ATOM 213 C MET A 13 34.572 26.156 35.024 1.00 0.00 C ATOM 214 O MET A 13 35.109 26.234 36.127 1.00 0.00 O ATOM 215 CB MET A 13 34.714 24.052 33.679 1.00 0.00 C ATOM 216 CG MET A 13 34.183 22.656 33.343 1.00 0.00 C ATOM 217 SD MET A 13 33.574 21.678 34.743 1.00 0.00 S ATOM 218 CE MET A 13 35.104 21.398 35.675 1.00 0.00 C ATOM 0 H MET A 13 32.391 24.815 33.100 1.00 0.00 H new ATOM 0 HA MET A 13 33.642 24.290 35.530 1.00 0.00 H new ATOM 0 HB2 MET A 13 34.838 24.609 32.751 1.00 0.00 H new ATOM 0 HB3 MET A 13 35.704 23.950 34.124 1.00 0.00 H new ATOM 0 HG2 MET A 13 33.374 22.761 32.620 1.00 0.00 H new ATOM 0 HG3 MET A 13 34.978 22.095 32.852 1.00 0.00 H new ATOM 0 HE1 MET A 13 34.873 20.886 36.609 1.00 0.00 H new ATOM 0 HE2 MET A 13 35.783 20.785 35.083 1.00 0.00 H new ATOM 0 HE3 MET A 13 35.577 22.355 35.894 1.00 0.00 H new ATOM 228 N LEU A 14 34.577 27.192 34.174 1.00 0.00 N ATOM 229 CA LEU A 14 35.172 28.478 34.563 1.00 0.00 C ATOM 230 C LEU A 14 34.410 29.169 35.701 1.00 0.00 C ATOM 231 O LEU A 14 35.065 29.768 36.547 1.00 0.00 O ATOM 232 CB LEU A 14 35.453 29.454 33.401 1.00 0.00 C ATOM 233 CG LEU A 14 34.631 29.366 32.096 1.00 0.00 C ATOM 234 CD1 LEU A 14 33.870 30.669 31.874 1.00 0.00 C ATOM 235 CD2 LEU A 14 35.528 29.093 30.904 1.00 0.00 C ATOM 0 H LEU A 14 34.185 27.168 33.233 1.00 0.00 H new ATOM 0 HA LEU A 14 36.155 28.194 34.940 1.00 0.00 H new ATOM 0 HB2 LEU A 14 35.332 30.465 33.791 1.00 0.00 H new ATOM 0 HB3 LEU A 14 36.503 29.340 33.130 1.00 0.00 H new ATOM 0 HG LEU A 14 33.926 28.541 32.194 1.00 0.00 H new ATOM 0 HD11 LEU A 14 33.292 30.600 30.952 1.00 0.00 H new ATOM 0 HD12 LEU A 14 33.196 30.844 32.712 1.00 0.00 H new ATOM 0 HD13 LEU A 14 34.577 31.495 31.798 1.00 0.00 H new ATOM 0 HD21 LEU A 14 34.923 29.036 29.999 1.00 0.00 H new ATOM 0 HD22 LEU A 14 36.256 29.898 30.804 1.00 0.00 H new ATOM 0 HD23 LEU A 14 36.051 28.148 31.051 1.00 0.00 H new ATOM 247 N LYS A 15 33.074 29.059 35.782 1.00 0.00 N ATOM 248 CA LYS A 15 32.290 29.558 36.928 1.00 0.00 C ATOM 249 C LYS A 15 32.792 28.958 38.246 1.00 0.00 C ATOM 250 O LYS A 15 33.157 29.724 39.139 1.00 0.00 O ATOM 251 CB LYS A 15 30.787 29.334 36.650 1.00 0.00 C ATOM 252 CG LYS A 15 29.810 29.276 37.838 1.00 0.00 C ATOM 253 CD LYS A 15 29.859 30.496 38.762 1.00 0.00 C ATOM 254 CE LYS A 15 28.736 30.417 39.796 1.00 0.00 C ATOM 255 NZ LYS A 15 29.004 31.286 40.971 1.00 0.00 N1+ ATOM 0 H LYS A 15 32.506 28.622 35.056 1.00 0.00 H new ATOM 0 HA LYS A 15 32.430 30.632 37.047 1.00 0.00 H new ATOM 0 HB2 LYS A 15 30.452 30.132 35.987 1.00 0.00 H new ATOM 0 HB3 LYS A 15 30.690 28.399 36.098 1.00 0.00 H new ATOM 0 HG2 LYS A 15 28.796 29.168 37.453 1.00 0.00 H new ATOM 0 HG3 LYS A 15 30.024 28.383 38.425 1.00 0.00 H new ATOM 0 HD2 LYS A 15 30.825 30.542 39.265 1.00 0.00 H new ATOM 0 HD3 LYS A 15 29.761 31.410 38.176 1.00 0.00 H new ATOM 0 HE2 LYS A 15 27.794 30.712 39.333 1.00 0.00 H new ATOM 0 HE3 LYS A 15 28.619 29.385 40.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 28.220 31.205 41.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 29.889 30.988 41.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 29.091 32.274 40.659 1.00 0.00 H new ATOM 269 N GLU A 16 32.869 27.633 38.356 1.00 0.00 N ATOM 270 CA GLU A 16 33.376 26.965 39.567 1.00 0.00 C ATOM 271 C GLU A 16 34.866 27.247 39.825 1.00 0.00 C ATOM 272 O GLU A 16 35.249 27.551 40.954 1.00 0.00 O ATOM 273 CB GLU A 16 33.113 25.449 39.482 1.00 0.00 C ATOM 274 CG GLU A 16 31.643 25.069 39.747 1.00 0.00 C ATOM 275 CD GLU A 16 31.167 25.374 41.179 1.00 0.00 C ATOM 276 OE1 GLU A 16 32.015 25.600 42.079 1.00 0.00 O ATOM 277 OE2 GLU A 16 29.936 25.399 41.418 1.00 0.00 O ATOM 0 H GLU A 16 32.585 26.990 37.617 1.00 0.00 H new ATOM 0 HA GLU A 16 32.833 27.380 40.416 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.400 25.092 38.493 1.00 0.00 H new ATOM 0 HB3 GLU A 16 33.749 24.936 40.203 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.007 25.604 39.042 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.512 24.005 39.550 1.00 0.00 H new ATOM 284 N ASN A 17 35.718 27.217 38.797 1.00 0.00 N ATOM 285 CA ASN A 17 37.145 27.538 38.914 1.00 0.00 C ATOM 286 C ASN A 17 37.441 29.047 39.028 1.00 0.00 C ATOM 287 O ASN A 17 38.611 29.429 39.084 1.00 0.00 O ATOM 288 CB ASN A 17 37.932 26.948 37.733 1.00 0.00 C ATOM 289 CG ASN A 17 38.094 25.437 37.765 1.00 0.00 C ATOM 290 OD1 ASN A 17 37.152 24.667 37.868 1.00 0.00 O ATOM 291 ND2 ASN A 17 39.313 24.956 37.705 1.00 0.00 N ATOM 0 H ASN A 17 35.435 26.967 37.850 1.00 0.00 H new ATOM 0 HA ASN A 17 37.470 27.083 39.850 1.00 0.00 H new ATOM 0 HB2 ASN A 17 37.431 27.226 36.806 1.00 0.00 H new ATOM 0 HB3 ASN A 17 38.921 27.405 37.710 1.00 0.00 H new ATOM 0 HD21 ASN A 17 39.466 23.948 37.744 1.00 0.00 H new ATOM 0 HD22 ASN A 17 40.108 25.590 37.619 1.00 0.00 H new ATOM 298 N GLN A 18 36.430 29.922 39.047 1.00 0.00 N ATOM 299 CA GLN A 18 36.592 31.385 39.104 1.00 0.00 C ATOM 300 C GLN A 18 37.392 31.962 37.912 1.00 0.00 C ATOM 301 O GLN A 18 37.996 33.031 38.004 1.00 0.00 O ATOM 302 CB GLN A 18 37.183 31.814 40.468 1.00 0.00 C ATOM 303 CG GLN A 18 36.258 31.585 41.679 1.00 0.00 C ATOM 304 CD GLN A 18 36.931 31.962 43.000 1.00 0.00 C ATOM 305 OE1 GLN A 18 38.147 31.962 43.146 1.00 0.00 O ATOM 306 NE2 GLN A 18 36.171 32.301 44.017 1.00 0.00 N ATOM 0 H GLN A 18 35.453 29.630 39.023 1.00 0.00 H new ATOM 0 HA GLN A 18 35.596 31.818 39.013 1.00 0.00 H new ATOM 0 HB2 GLN A 18 38.113 31.269 40.632 1.00 0.00 H new ATOM 0 HB3 GLN A 18 37.438 32.873 40.420 1.00 0.00 H new ATOM 0 HG2 GLN A 18 35.349 32.173 41.556 1.00 0.00 H new ATOM 0 HG3 GLN A 18 35.958 30.538 41.712 1.00 0.00 H new ATOM 0 HE21 GLN A 18 35.156 32.307 43.915 1.00 0.00 H new ATOM 0 HE22 GLN A 18 36.596 32.558 44.908 1.00 0.00 H new ATOM 315 N CYS A 19 37.441 31.202 36.823 1.00 0.00 N ATOM 316 CA CYS A 19 38.147 31.642 35.630 1.00 0.00 C ATOM 317 C CYS A 19 37.222 32.475 34.753 1.00 0.00 C ATOM 318 O CYS A 19 36.876 32.068 33.644 1.00 0.00 O ATOM 319 CB CYS A 19 38.668 30.438 34.844 1.00 0.00 C ATOM 320 SG CYS A 19 39.925 29.472 35.713 1.00 0.00 S ATOM 0 H CYS A 19 37.003 30.284 36.744 1.00 0.00 H new ATOM 0 HA CYS A 19 38.996 32.254 35.934 1.00 0.00 H new ATOM 0 HB2 CYS A 19 37.829 29.786 34.601 1.00 0.00 H new ATOM 0 HB3 CYS A 19 39.084 30.788 33.899 1.00 0.00 H new ATOM 0 HG CYS A 19 40.353 28.520 34.938 1.00 0.00 H new ATOM 326 N THR A 20 36.821 33.640 35.250 1.00 0.00 N ATOM 327 CA THR A 20 35.947 34.523 34.489 1.00 0.00 C ATOM 328 C THR A 20 36.472 35.951 34.523 1.00 0.00 C ATOM 329 O THR A 20 35.851 36.838 35.109 1.00 0.00 O ATOM 330 CB THR A 20 34.511 34.513 35.047 1.00 0.00 C ATOM 331 OG1 THR A 20 34.527 34.899 36.427 1.00 0.00 O ATOM 332 CG2 THR A 20 33.891 33.129 34.915 1.00 0.00 C ATOM 0 H THR A 20 37.085 33.992 36.170 1.00 0.00 H new ATOM 0 HA THR A 20 35.933 34.155 33.463 1.00 0.00 H new ATOM 0 HB THR A 20 33.912 35.220 34.473 1.00 0.00 H new ATOM 0 HG1 THR A 20 34.892 35.805 36.509 1.00 0.00 H new ATOM 0 HG21 THR A 20 32.877 33.145 35.315 1.00 0.00 H new ATOM 0 HG22 THR A 20 33.862 32.842 33.864 1.00 0.00 H new ATOM 0 HG23 THR A 20 34.489 32.408 35.471 1.00 0.00 H new ATOM 340 N THR A 21 37.621 36.167 33.892 1.00 0.00 N ATOM 341 CA THR A 21 38.224 37.489 33.834 1.00 0.00 C ATOM 342 C THR A 21 38.676 37.780 32.405 1.00 0.00 C ATOM 343 O THR A 21 39.201 36.892 31.734 1.00 0.00 O ATOM 344 CB THR A 21 39.445 37.595 34.767 1.00 0.00 C ATOM 345 OG1 THR A 21 39.038 37.365 36.122 1.00 0.00 O ATOM 346 CG2 THR A 21 40.090 38.969 34.659 1.00 0.00 C ATOM 0 H THR A 21 38.153 35.440 33.413 1.00 0.00 H new ATOM 0 HA THR A 21 37.474 38.211 34.157 1.00 0.00 H new ATOM 0 HB THR A 21 40.174 36.842 34.467 1.00 0.00 H new ATOM 0 HG1 THR A 21 39.817 37.431 36.713 1.00 0.00 H new ATOM 0 HG21 THR A 21 40.950 39.021 35.327 1.00 0.00 H new ATOM 0 HG22 THR A 21 40.417 39.138 33.633 1.00 0.00 H new ATOM 0 HG23 THR A 21 39.366 39.734 34.940 1.00 0.00 H new ATOM 354 N GLU A 22 38.483 39.009 31.930 1.00 0.00 N ATOM 355 CA GLU A 22 38.914 39.362 30.584 1.00 0.00 C ATOM 356 C GLU A 22 40.433 39.257 30.491 1.00 0.00 C ATOM 357 O GLU A 22 40.976 38.751 29.509 1.00 0.00 O ATOM 358 CB GLU A 22 38.466 40.781 30.235 1.00 0.00 C ATOM 359 CG GLU A 22 36.966 41.000 30.343 1.00 0.00 C ATOM 360 CD GLU A 22 36.561 42.425 30.021 1.00 0.00 C ATOM 361 OE1 GLU A 22 37.451 43.239 29.697 1.00 0.00 O ATOM 362 OE2 GLU A 22 35.352 42.732 30.093 1.00 0.00 O ATOM 0 H GLU A 22 38.038 39.765 32.450 1.00 0.00 H new ATOM 0 HA GLU A 22 38.459 38.671 29.874 1.00 0.00 H new ATOM 0 HB2 GLU A 22 38.974 41.484 30.895 1.00 0.00 H new ATOM 0 HB3 GLU A 22 38.784 41.012 29.218 1.00 0.00 H new ATOM 0 HG2 GLU A 22 36.453 40.318 29.665 1.00 0.00 H new ATOM 0 HG3 GLU A 22 36.638 40.752 31.352 1.00 0.00 H new ATOM 369 N LEU A 23 41.108 39.742 31.529 1.00 0.00 N ATOM 370 CA LEU A 23 42.563 39.709 31.602 1.00 0.00 C ATOM 371 C LEU A 23 43.104 38.283 31.651 1.00 0.00 C ATOM 372 O LEU A 23 44.119 37.976 31.025 1.00 0.00 O ATOM 373 CB LEU A 23 43.051 40.488 32.826 1.00 0.00 C ATOM 374 CG LEU A 23 43.214 41.998 32.636 1.00 0.00 C ATOM 375 CD1 LEU A 23 41.863 42.654 32.397 1.00 0.00 C ATOM 376 CD2 LEU A 23 43.910 42.625 33.835 1.00 0.00 C ATOM 0 H LEU A 23 40.662 40.168 32.341 1.00 0.00 H new ATOM 0 HA LEU A 23 42.941 40.177 30.693 1.00 0.00 H new ATOM 0 HB2 LEU A 23 42.351 40.318 33.644 1.00 0.00 H new ATOM 0 HB3 LEU A 23 44.011 40.075 33.137 1.00 0.00 H new ATOM 0 HG LEU A 23 43.839 42.164 31.758 1.00 0.00 H new ATOM 0 HD11 LEU A 23 41.998 43.727 32.264 1.00 0.00 H new ATOM 0 HD12 LEU A 23 41.407 42.232 31.501 1.00 0.00 H new ATOM 0 HD13 LEU A 23 41.214 42.473 33.254 1.00 0.00 H new ATOM 0 HD21 LEU A 23 44.014 43.698 33.675 1.00 0.00 H new ATOM 0 HD22 LEU A 23 43.318 42.447 34.733 1.00 0.00 H new ATOM 0 HD23 LEU A 23 44.897 42.179 33.957 1.00 0.00 H new ATOM 388 N LYS A 24 42.427 37.428 32.403 1.00 0.00 N ATOM 389 CA LYS A 24 42.894 36.040 32.536 1.00 0.00 C ATOM 390 C LYS A 24 42.310 35.181 31.406 1.00 0.00 C ATOM 391 O LYS A 24 41.259 34.564 31.574 1.00 0.00 O ATOM 392 CB LYS A 24 42.527 35.454 33.921 1.00 0.00 C ATOM 393 CG LYS A 24 43.502 34.413 34.503 1.00 0.00 C ATOM 394 CD LYS A 24 42.922 33.510 35.594 1.00 0.00 C ATOM 395 CE LYS A 24 42.309 34.345 36.718 1.00 0.00 C ATOM 396 NZ LYS A 24 41.872 33.493 37.846 1.00 0.00 N1+ ATOM 0 H LYS A 24 41.577 37.652 32.920 1.00 0.00 H new ATOM 0 HA LYS A 24 43.981 36.033 32.457 1.00 0.00 H new ATOM 0 HB2 LYS A 24 42.444 36.278 34.630 1.00 0.00 H new ATOM 0 HB3 LYS A 24 41.541 34.995 33.848 1.00 0.00 H new ATOM 0 HG2 LYS A 24 43.864 33.785 33.689 1.00 0.00 H new ATOM 0 HG3 LYS A 24 44.366 34.937 34.910 1.00 0.00 H new ATOM 0 HD2 LYS A 24 42.163 32.855 35.166 1.00 0.00 H new ATOM 0 HD3 LYS A 24 43.706 32.869 35.997 1.00 0.00 H new ATOM 0 HE2 LYS A 24 43.039 35.074 37.072 1.00 0.00 H new ATOM 0 HE3 LYS A 24 41.458 34.907 36.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 41.461 34.089 38.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 41.158 32.814 37.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 42.690 32.976 38.228 1.00 0.00 H new ATOM 410 N SER A 25 42.978 35.136 30.249 1.00 0.00 N ATOM 411 CA SER A 25 42.568 34.297 29.110 1.00 0.00 C ATOM 412 C SER A 25 42.861 32.815 29.399 1.00 0.00 C ATOM 413 O SER A 25 43.989 32.469 29.760 1.00 0.00 O ATOM 414 CB SER A 25 43.248 34.745 27.808 1.00 0.00 C ATOM 415 OG SER A 25 42.850 36.039 27.404 1.00 0.00 O ATOM 0 H SER A 25 43.822 35.681 30.072 1.00 0.00 H new ATOM 0 HA SER A 25 41.493 34.417 28.976 1.00 0.00 H new ATOM 0 HB2 SER A 25 44.330 34.727 27.943 1.00 0.00 H new ATOM 0 HB3 SER A 25 43.014 34.033 27.017 1.00 0.00 H new ATOM 0 HG SER A 25 43.514 36.407 26.785 1.00 0.00 H new ATOM 421 N PHE A 26 41.835 31.967 29.275 1.00 0.00 N ATOM 422 CA PHE A 26 41.939 30.520 29.538 1.00 0.00 C ATOM 423 C PHE A 26 42.366 29.748 28.289 1.00 0.00 C ATOM 424 O PHE A 26 41.824 29.965 27.205 1.00 0.00 O ATOM 425 CB PHE A 26 40.606 29.977 30.053 1.00 0.00 C ATOM 426 CG PHE A 26 40.750 28.933 31.123 1.00 0.00 C ATOM 427 CD1 PHE A 26 42.005 28.509 31.530 1.00 0.00 C ATOM 428 CD2 PHE A 26 39.633 28.375 31.721 1.00 0.00 C ATOM 429 CE1 PHE A 26 42.142 27.548 32.513 1.00 0.00 C ATOM 430 CE2 PHE A 26 39.763 27.413 32.705 1.00 0.00 C ATOM 431 CZ PHE A 26 41.020 26.999 33.102 1.00 0.00 C ATOM 0 H PHE A 26 40.902 32.263 28.988 1.00 0.00 H new ATOM 0 HA PHE A 26 42.706 30.380 30.299 1.00 0.00 H new ATOM 0 HB2 PHE A 26 40.014 30.805 30.443 1.00 0.00 H new ATOM 0 HB3 PHE A 26 40.050 29.553 29.217 1.00 0.00 H new ATOM 0 HD1 PHE A 26 42.886 28.935 31.073 1.00 0.00 H new ATOM 0 HD2 PHE A 26 38.648 28.695 31.415 1.00 0.00 H new ATOM 0 HE1 PHE A 26 43.126 27.226 32.821 1.00 0.00 H new ATOM 0 HE2 PHE A 26 38.883 26.986 33.163 1.00 0.00 H new ATOM 0 HZ PHE A 26 41.125 26.248 33.871 1.00 0.00 H new ATOM 441 N THR A 27 43.338 28.850 28.440 1.00 0.00 N ATOM 442 CA THR A 27 43.864 28.131 27.270 1.00 0.00 C ATOM 443 C THR A 27 43.013 26.923 26.878 1.00 0.00 C ATOM 444 O THR A 27 42.405 26.252 27.718 1.00 0.00 O ATOM 445 CB THR A 27 45.317 27.680 27.493 1.00 0.00 C ATOM 446 OG1 THR A 27 45.363 26.661 28.466 1.00 0.00 O ATOM 447 CG2 THR A 27 46.211 28.842 27.931 1.00 0.00 C ATOM 0 H THR A 27 43.770 28.604 29.331 1.00 0.00 H new ATOM 0 HA THR A 27 43.827 28.846 26.448 1.00 0.00 H new ATOM 0 HB THR A 27 45.692 27.303 26.542 1.00 0.00 H new ATOM 0 HG1 THR A 27 46.292 26.379 28.600 1.00 0.00 H new ATOM 0 HG21 THR A 27 47.229 28.482 28.078 1.00 0.00 H new ATOM 0 HG22 THR A 27 46.207 29.614 27.162 1.00 0.00 H new ATOM 0 HG23 THR A 27 45.835 29.258 28.865 1.00 0.00 H new ATOM 455 N TYR A 28 43.052 26.568 25.586 1.00 0.00 N ATOM 456 CA TYR A 28 42.476 25.315 25.092 1.00 0.00 C ATOM 457 C TYR A 28 43.028 24.084 25.824 1.00 0.00 C ATOM 458 O TYR A 28 42.281 23.132 26.019 1.00 0.00 O ATOM 459 CB TYR A 28 42.727 25.166 23.583 1.00 0.00 C ATOM 460 CG TYR A 28 41.942 26.118 22.699 1.00 0.00 C ATOM 461 CD1 TYR A 28 40.538 26.024 22.654 1.00 0.00 C ATOM 462 CD2 TYR A 28 42.609 27.052 21.881 1.00 0.00 C ATOM 463 CE1 TYR A 28 39.802 26.853 21.789 1.00 0.00 C ATOM 464 CE2 TYR A 28 41.873 27.892 21.023 1.00 0.00 C ATOM 465 CZ TYR A 28 40.465 27.791 20.976 1.00 0.00 C ATOM 466 OH TYR A 28 39.742 28.588 20.150 1.00 0.00 O ATOM 0 H TYR A 28 43.482 27.140 24.859 1.00 0.00 H new ATOM 0 HA TYR A 28 41.405 25.366 25.288 1.00 0.00 H new ATOM 0 HB2 TYR A 28 43.790 25.312 23.392 1.00 0.00 H new ATOM 0 HB3 TYR A 28 42.488 24.144 23.291 1.00 0.00 H new ATOM 0 HD1 TYR A 28 40.025 25.314 23.285 1.00 0.00 H new ATOM 0 HD2 TYR A 28 43.686 27.124 21.912 1.00 0.00 H new ATOM 0 HE1 TYR A 28 38.726 26.770 21.748 1.00 0.00 H new ATOM 0 HE2 TYR A 28 42.385 28.612 20.402 1.00 0.00 H new ATOM 0 HH TYR A 28 40.110 29.496 20.167 1.00 0.00 H new ATOM 476 N THR A 29 44.289 24.102 26.274 1.00 0.00 N ATOM 477 CA THR A 29 44.939 22.989 26.984 1.00 0.00 C ATOM 478 C THR A 29 44.173 22.602 28.253 1.00 0.00 C ATOM 479 O THR A 29 43.738 21.457 28.390 1.00 0.00 O ATOM 480 CB THR A 29 46.391 23.356 27.343 1.00 0.00 C ATOM 481 OG1 THR A 29 47.039 23.909 26.222 1.00 0.00 O ATOM 482 CG2 THR A 29 47.210 22.153 27.807 1.00 0.00 C ATOM 0 H THR A 29 44.901 24.909 26.153 1.00 0.00 H new ATOM 0 HA THR A 29 44.938 22.130 26.313 1.00 0.00 H new ATOM 0 HB THR A 29 46.330 24.072 28.163 1.00 0.00 H new ATOM 0 HG1 THR A 29 47.961 24.141 26.459 1.00 0.00 H new ATOM 0 HG21 THR A 29 48.224 22.473 28.046 1.00 0.00 H new ATOM 0 HG22 THR A 29 46.748 21.719 28.694 1.00 0.00 H new ATOM 0 HG23 THR A 29 47.243 21.407 27.013 1.00 0.00 H new ATOM 490 N LYS A 30 43.940 23.561 29.161 1.00 0.00 N ATOM 491 CA LYS A 30 43.200 23.301 30.406 1.00 0.00 C ATOM 492 C LYS A 30 41.702 23.132 30.146 1.00 0.00 C ATOM 493 O LYS A 30 41.111 22.198 30.684 1.00 0.00 O ATOM 494 CB LYS A 30 43.515 24.401 31.434 1.00 0.00 C ATOM 495 CG LYS A 30 43.015 24.116 32.865 1.00 0.00 C ATOM 496 CD LYS A 30 43.608 22.859 33.522 1.00 0.00 C ATOM 497 CE LYS A 30 43.367 22.911 35.040 1.00 0.00 C ATOM 498 NZ LYS A 30 43.906 21.720 35.735 1.00 0.00 N1+ ATOM 0 H LYS A 30 44.254 24.526 29.057 1.00 0.00 H new ATOM 0 HA LYS A 30 43.530 22.352 30.828 1.00 0.00 H new ATOM 0 HB2 LYS A 30 44.594 24.550 31.465 1.00 0.00 H new ATOM 0 HB3 LYS A 30 43.073 25.336 31.090 1.00 0.00 H new ATOM 0 HG2 LYS A 30 43.244 24.978 33.492 1.00 0.00 H new ATOM 0 HG3 LYS A 30 41.930 24.018 32.842 1.00 0.00 H new ATOM 0 HD2 LYS A 30 43.149 21.965 33.101 1.00 0.00 H new ATOM 0 HD3 LYS A 30 44.676 22.797 33.315 1.00 0.00 H new ATOM 0 HE2 LYS A 30 43.831 23.809 35.449 1.00 0.00 H new ATOM 0 HE3 LYS A 30 42.297 22.989 35.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 43.720 21.800 36.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 43.445 20.864 35.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 44.932 21.658 35.574 1.00 0.00 H new ATOM 512 N LEU A 31 41.100 23.961 29.280 1.00 0.00 N ATOM 513 CA LEU A 31 39.676 23.862 28.917 1.00 0.00 C ATOM 514 C LEU A 31 39.307 22.493 28.302 1.00 0.00 C ATOM 515 O LEU A 31 38.227 21.974 28.577 1.00 0.00 O ATOM 516 CB LEU A 31 39.305 24.995 27.938 1.00 0.00 C ATOM 517 CG LEU A 31 39.177 26.414 28.535 1.00 0.00 C ATOM 518 CD1 LEU A 31 38.986 27.409 27.387 1.00 0.00 C ATOM 519 CD2 LEU A 31 37.972 26.525 29.456 1.00 0.00 C ATOM 0 H LEU A 31 41.588 24.723 28.809 1.00 0.00 H new ATOM 0 HA LEU A 31 39.104 23.961 29.839 1.00 0.00 H new ATOM 0 HB2 LEU A 31 40.058 25.024 27.150 1.00 0.00 H new ATOM 0 HB3 LEU A 31 38.357 24.739 27.464 1.00 0.00 H new ATOM 0 HG LEU A 31 40.079 26.626 29.109 1.00 0.00 H new ATOM 0 HD11 LEU A 31 38.894 28.417 27.791 1.00 0.00 H new ATOM 0 HD12 LEU A 31 39.846 27.363 26.719 1.00 0.00 H new ATOM 0 HD13 LEU A 31 38.082 27.156 26.833 1.00 0.00 H new ATOM 0 HD21 LEU A 31 37.913 27.536 29.858 1.00 0.00 H new ATOM 0 HD22 LEU A 31 37.064 26.304 28.895 1.00 0.00 H new ATOM 0 HD23 LEU A 31 38.074 25.814 30.276 1.00 0.00 H new ATOM 531 N CYS A 32 40.203 21.895 27.510 1.00 0.00 N ATOM 532 CA CYS A 32 40.080 20.539 26.970 1.00 0.00 C ATOM 533 C CYS A 32 39.980 19.499 28.099 1.00 0.00 C ATOM 534 O CYS A 32 38.964 18.811 28.225 1.00 0.00 O ATOM 535 CB CYS A 32 41.291 20.298 26.049 1.00 0.00 C ATOM 536 SG CYS A 32 41.359 18.604 25.412 1.00 0.00 S ATOM 0 H CYS A 32 41.063 22.359 27.218 1.00 0.00 H new ATOM 0 HA CYS A 32 39.161 20.433 26.394 1.00 0.00 H new ATOM 0 HB2 CYS A 32 41.250 20.995 25.212 1.00 0.00 H new ATOM 0 HB3 CYS A 32 42.208 20.512 26.598 1.00 0.00 H new ATOM 0 HG CYS A 32 40.151 18.143 25.275 1.00 0.00 H new ATOM 542 N ASN A 33 40.995 19.442 28.972 1.00 0.00 N ATOM 543 CA ASN A 33 41.057 18.449 30.045 1.00 0.00 C ATOM 544 C ASN A 33 39.871 18.564 31.019 1.00 0.00 C ATOM 545 O ASN A 33 39.228 17.549 31.286 1.00 0.00 O ATOM 546 CB ASN A 33 42.417 18.545 30.760 1.00 0.00 C ATOM 547 CG ASN A 33 42.577 17.460 31.816 1.00 0.00 C ATOM 548 OD1 ASN A 33 42.441 17.701 33.008 1.00 0.00 O ATOM 549 ND2 ASN A 33 42.816 16.230 31.417 1.00 0.00 N ATOM 0 H ASN A 33 41.790 20.080 28.952 1.00 0.00 H new ATOM 0 HA ASN A 33 40.971 17.457 29.602 1.00 0.00 H new ATOM 0 HB2 ASN A 33 43.220 18.461 30.027 1.00 0.00 H new ATOM 0 HB3 ASN A 33 42.514 19.525 31.228 1.00 0.00 H new ATOM 0 HD21 ASN A 33 42.888 15.477 32.101 1.00 0.00 H new ATOM 0 HD22 ASN A 33 42.929 16.029 30.423 1.00 0.00 H new ATOM 556 N ILE A 34 39.530 19.770 31.493 1.00 0.00 N ATOM 557 CA ILE A 34 38.425 19.969 32.456 1.00 0.00 C ATOM 558 C ILE A 34 37.029 19.762 31.843 1.00 0.00 C ATOM 559 O ILE A 34 36.086 19.483 32.575 1.00 0.00 O ATOM 560 CB ILE A 34 38.521 21.333 33.182 1.00 0.00 C ATOM 561 CG1 ILE A 34 38.122 22.516 32.274 1.00 0.00 C ATOM 562 CG2 ILE A 34 39.906 21.501 33.829 1.00 0.00 C ATOM 563 CD1 ILE A 34 38.379 23.901 32.885 1.00 0.00 C ATOM 0 H ILE A 34 40.005 20.632 31.226 1.00 0.00 H new ATOM 0 HA ILE A 34 38.551 19.183 33.201 1.00 0.00 H new ATOM 0 HB ILE A 34 37.787 21.340 33.988 1.00 0.00 H new ATOM 0 HG12 ILE A 34 38.671 22.439 31.336 1.00 0.00 H new ATOM 0 HG13 ILE A 34 37.063 22.431 32.031 1.00 0.00 H new ATOM 0 HG21 ILE A 34 39.957 22.465 34.335 1.00 0.00 H new ATOM 0 HG22 ILE A 34 40.069 20.702 34.553 1.00 0.00 H new ATOM 0 HG23 ILE A 34 40.676 21.455 33.058 1.00 0.00 H new ATOM 0 HD11 ILE A 34 38.070 24.673 32.180 1.00 0.00 H new ATOM 0 HD12 ILE A 34 37.808 24.003 33.808 1.00 0.00 H new ATOM 0 HD13 ILE A 34 39.442 24.012 33.101 1.00 0.00 H new ATOM 575 N SER A 35 36.878 19.872 30.517 1.00 0.00 N ATOM 576 CA SER A 35 35.627 19.526 29.820 1.00 0.00 C ATOM 577 C SER A 35 35.520 18.029 29.469 1.00 0.00 C ATOM 578 O SER A 35 34.438 17.567 29.097 1.00 0.00 O ATOM 579 CB SER A 35 35.469 20.415 28.581 1.00 0.00 C ATOM 580 OG SER A 35 34.154 20.342 28.049 1.00 0.00 O ATOM 0 H SER A 35 37.616 20.202 29.896 1.00 0.00 H new ATOM 0 HA SER A 35 34.802 19.717 30.506 1.00 0.00 H new ATOM 0 HB2 SER A 35 35.700 21.448 28.842 1.00 0.00 H new ATOM 0 HB3 SER A 35 36.187 20.110 27.820 1.00 0.00 H new ATOM 0 HG SER A 35 33.762 19.470 28.264 1.00 0.00 H new ATOM 586 N LYS A 36 36.617 17.268 29.620 1.00 0.00 N ATOM 587 CA LYS A 36 36.738 15.815 29.388 1.00 0.00 C ATOM 588 C LYS A 36 36.428 15.352 27.951 1.00 0.00 C ATOM 589 O LYS A 36 35.766 14.335 27.756 1.00 0.00 O ATOM 590 CB LYS A 36 35.936 15.042 30.455 1.00 0.00 C ATOM 591 CG LYS A 36 36.638 13.728 30.854 1.00 0.00 C ATOM 592 CD LYS A 36 35.917 12.933 31.948 1.00 0.00 C ATOM 593 CE LYS A 36 36.621 11.623 32.309 1.00 0.00 C ATOM 594 NZ LYS A 36 35.885 10.894 33.368 1.00 0.00 N1+ ATOM 0 H LYS A 36 37.500 17.675 29.927 1.00 0.00 H new ATOM 0 HA LYS A 36 37.795 15.575 29.498 1.00 0.00 H new ATOM 0 HB2 LYS A 36 35.807 15.668 31.338 1.00 0.00 H new ATOM 0 HB3 LYS A 36 34.940 14.821 30.072 1.00 0.00 H new ATOM 0 HG2 LYS A 36 36.736 13.099 29.969 1.00 0.00 H new ATOM 0 HG3 LYS A 36 37.648 13.958 31.194 1.00 0.00 H new ATOM 0 HD2 LYS A 36 35.834 13.551 32.842 1.00 0.00 H new ATOM 0 HD3 LYS A 36 34.902 12.713 31.618 1.00 0.00 H new ATOM 0 HE2 LYS A 36 36.704 10.995 31.422 1.00 0.00 H new ATOM 0 HE3 LYS A 36 37.636 11.833 32.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 36.385 10.010 33.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 35.828 11.486 34.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 34.925 10.674 33.035 1.00 0.00 H new ATOM 608 N LEU A 37 36.875 16.105 26.944 1.00 0.00 N ATOM 609 CA LEU A 37 36.579 15.850 25.536 1.00 0.00 C ATOM 610 C LEU A 37 37.711 16.296 24.596 1.00 0.00 C ATOM 611 O LEU A 37 38.515 17.156 24.947 1.00 0.00 O ATOM 612 CB LEU A 37 35.227 16.499 25.195 1.00 0.00 C ATOM 613 CG LEU A 37 35.059 18.008 25.474 1.00 0.00 C ATOM 614 CD1 LEU A 37 35.667 18.928 24.419 1.00 0.00 C ATOM 615 CD2 LEU A 37 33.570 18.325 25.578 1.00 0.00 C ATOM 0 H LEU A 37 37.464 16.925 27.089 1.00 0.00 H new ATOM 0 HA LEU A 37 36.506 14.774 25.378 1.00 0.00 H new ATOM 0 HB2 LEU A 37 35.033 16.331 24.136 1.00 0.00 H new ATOM 0 HB3 LEU A 37 34.452 15.968 25.749 1.00 0.00 H new ATOM 0 HG LEU A 37 35.599 18.200 26.401 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.499 19.967 24.702 1.00 0.00 H new ATOM 0 HD12 LEU A 37 36.738 18.741 24.347 1.00 0.00 H new ATOM 0 HD13 LEU A 37 35.199 18.734 23.454 1.00 0.00 H new ATOM 0 HD21 LEU A 37 33.437 19.389 25.775 1.00 0.00 H new ATOM 0 HD22 LEU A 37 33.076 18.065 24.642 1.00 0.00 H new ATOM 0 HD23 LEU A 37 33.131 17.748 26.392 1.00 0.00 H new ATOM 627 N SER A 38 37.770 15.715 23.396 1.00 0.00 N ATOM 628 CA SER A 38 38.831 15.978 22.412 1.00 0.00 C ATOM 629 C SER A 38 38.861 17.432 21.920 1.00 0.00 C ATOM 630 O SER A 38 37.833 18.112 21.837 1.00 0.00 O ATOM 631 CB SER A 38 38.723 14.999 21.237 1.00 0.00 C ATOM 632 OG SER A 38 38.787 13.691 21.762 1.00 0.00 O ATOM 0 H SER A 38 37.076 15.041 23.073 1.00 0.00 H new ATOM 0 HA SER A 38 39.779 15.819 22.925 1.00 0.00 H new ATOM 0 HB2 SER A 38 37.787 15.150 20.698 1.00 0.00 H new ATOM 0 HB3 SER A 38 39.531 15.165 20.525 1.00 0.00 H new ATOM 0 HG SER A 38 38.718 13.042 21.031 1.00 0.00 H new ATOM 638 N MET A 39 40.062 17.910 21.566 1.00 0.00 N ATOM 639 CA MET A 39 40.367 19.341 21.375 1.00 0.00 C ATOM 640 C MET A 39 39.482 20.019 20.325 1.00 0.00 C ATOM 641 O MET A 39 39.040 21.151 20.499 1.00 0.00 O ATOM 642 CB MET A 39 41.834 19.551 20.956 1.00 0.00 C ATOM 643 CG MET A 39 42.810 18.588 21.629 1.00 0.00 C ATOM 644 SD MET A 39 44.538 19.134 21.622 1.00 0.00 S ATOM 645 CE MET A 39 44.884 19.143 19.840 1.00 0.00 C ATOM 0 H MET A 39 40.866 17.304 21.401 1.00 0.00 H new ATOM 0 HA MET A 39 40.170 19.798 22.345 1.00 0.00 H new ATOM 0 HB2 MET A 39 41.913 19.438 19.875 1.00 0.00 H new ATOM 0 HB3 MET A 39 42.127 20.574 21.192 1.00 0.00 H new ATOM 0 HG2 MET A 39 42.495 18.436 22.661 1.00 0.00 H new ATOM 0 HG3 MET A 39 42.747 17.621 21.131 1.00 0.00 H new ATOM 0 HE1 MET A 39 45.913 19.459 19.671 1.00 0.00 H new ATOM 0 HE2 MET A 39 44.741 18.141 19.437 1.00 0.00 H new ATOM 0 HE3 MET A 39 44.205 19.835 19.341 1.00 0.00 H new ATOM 655 N SER A 40 39.188 19.296 19.252 1.00 0.00 N ATOM 656 CA SER A 40 38.245 19.692 18.201 1.00 0.00 C ATOM 657 C SER A 40 36.857 20.078 18.733 1.00 0.00 C ATOM 658 O SER A 40 36.297 21.088 18.300 1.00 0.00 O ATOM 659 CB SER A 40 38.148 18.553 17.182 1.00 0.00 C ATOM 660 OG SER A 40 37.606 17.372 17.747 1.00 0.00 O ATOM 0 H SER A 40 39.612 18.385 19.079 1.00 0.00 H new ATOM 0 HA SER A 40 38.629 20.596 17.729 1.00 0.00 H new ATOM 0 HB2 SER A 40 37.528 18.870 16.344 1.00 0.00 H new ATOM 0 HB3 SER A 40 39.140 18.340 16.782 1.00 0.00 H new ATOM 0 HG SER A 40 37.561 16.673 17.062 1.00 0.00 H new ATOM 666 N THR A 41 36.324 19.380 19.744 1.00 0.00 N ATOM 667 CA THR A 41 35.033 19.743 20.353 1.00 0.00 C ATOM 668 C THR A 41 35.101 21.035 21.168 1.00 0.00 C ATOM 669 O THR A 41 34.200 21.872 21.075 1.00 0.00 O ATOM 670 CB THR A 41 34.421 18.602 21.171 1.00 0.00 C ATOM 671 OG1 THR A 41 34.129 17.537 20.291 1.00 0.00 O ATOM 672 CG2 THR A 41 33.080 19.003 21.791 1.00 0.00 C ATOM 0 H THR A 41 36.765 18.560 20.159 1.00 0.00 H new ATOM 0 HA THR A 41 34.363 19.931 19.514 1.00 0.00 H new ATOM 0 HB THR A 41 35.132 18.339 21.954 1.00 0.00 H new ATOM 0 HG1 THR A 41 33.737 16.794 20.796 1.00 0.00 H new ATOM 0 HG21 THR A 41 32.679 18.166 22.363 1.00 0.00 H new ATOM 0 HG22 THR A 41 33.226 19.858 22.452 1.00 0.00 H new ATOM 0 HG23 THR A 41 32.379 19.271 21.000 1.00 0.00 H new ATOM 680 N VAL A 42 36.168 21.251 21.944 1.00 0.00 N ATOM 681 CA VAL A 42 36.313 22.500 22.716 1.00 0.00 C ATOM 682 C VAL A 42 36.621 23.700 21.812 1.00 0.00 C ATOM 683 O VAL A 42 36.104 24.788 22.059 1.00 0.00 O ATOM 684 CB VAL A 42 37.283 22.312 23.894 1.00 0.00 C ATOM 685 CG1 VAL A 42 38.719 21.970 23.508 1.00 0.00 C ATOM 686 CG2 VAL A 42 37.329 23.555 24.785 1.00 0.00 C ATOM 0 H VAL A 42 36.937 20.590 22.057 1.00 0.00 H new ATOM 0 HA VAL A 42 35.352 22.744 23.170 1.00 0.00 H new ATOM 0 HB VAL A 42 36.871 21.452 24.423 1.00 0.00 H new ATOM 0 HG11 VAL A 42 39.321 21.858 24.410 1.00 0.00 H new ATOM 0 HG12 VAL A 42 38.732 21.037 22.945 1.00 0.00 H new ATOM 0 HG13 VAL A 42 39.131 22.770 22.893 1.00 0.00 H new ATOM 0 HG21 VAL A 42 38.024 23.388 25.608 1.00 0.00 H new ATOM 0 HG22 VAL A 42 37.661 24.411 24.198 1.00 0.00 H new ATOM 0 HG23 VAL A 42 36.335 23.753 25.185 1.00 0.00 H new ATOM 696 N ARG A 43 37.344 23.484 20.702 1.00 0.00 N ATOM 697 CA ARG A 43 37.523 24.460 19.608 1.00 0.00 C ATOM 698 C ARG A 43 36.185 24.886 18.996 1.00 0.00 C ATOM 699 O ARG A 43 35.859 26.070 19.057 1.00 0.00 O ATOM 700 CB ARG A 43 38.477 23.917 18.525 1.00 0.00 C ATOM 701 CG ARG A 43 39.957 23.979 18.934 1.00 0.00 C ATOM 702 CD ARG A 43 40.840 23.391 17.822 1.00 0.00 C ATOM 703 NE ARG A 43 42.281 23.493 18.134 1.00 0.00 N ATOM 704 CZ ARG A 43 43.044 24.566 18.014 1.00 0.00 C ATOM 705 NH1 ARG A 43 42.537 25.687 17.601 1.00 0.00 N ATOM 706 NH2 ARG A 43 44.306 24.504 18.293 1.00 0.00 N ATOM 0 H ARG A 43 37.834 22.605 20.533 1.00 0.00 H new ATOM 0 HA ARG A 43 37.978 25.349 20.045 1.00 0.00 H new ATOM 0 HB2 ARG A 43 38.212 22.884 18.302 1.00 0.00 H new ATOM 0 HB3 ARG A 43 38.336 24.488 17.607 1.00 0.00 H new ATOM 0 HG2 ARG A 43 40.245 25.012 19.129 1.00 0.00 H new ATOM 0 HG3 ARG A 43 40.109 23.425 19.860 1.00 0.00 H new ATOM 0 HD2 ARG A 43 40.577 22.344 17.669 1.00 0.00 H new ATOM 0 HD3 ARG A 43 40.636 23.911 16.886 1.00 0.00 H new ATOM 0 HE ARG A 43 42.735 22.647 18.478 1.00 0.00 H new ATOM 0 HH11 ARG A 43 41.546 25.743 17.367 1.00 0.00 H new ATOM 0 HH12 ARG A 43 43.130 26.512 17.510 1.00 0.00 H new ATOM 0 HH21 ARG A 43 44.716 23.625 18.607 1.00 0.00 H new ATOM 0 HH22 ARG A 43 44.891 25.335 18.199 1.00 0.00 H new ATOM 720 N ARG A 44 35.368 23.956 18.472 1.00 0.00 N ATOM 721 CA ARG A 44 34.052 24.310 17.885 1.00 0.00 C ATOM 722 C ARG A 44 33.095 24.952 18.899 1.00 0.00 C ATOM 723 O ARG A 44 32.364 25.872 18.541 1.00 0.00 O ATOM 724 CB ARG A 44 33.428 23.131 17.108 1.00 0.00 C ATOM 725 CG ARG A 44 33.008 21.916 17.947 1.00 0.00 C ATOM 726 CD ARG A 44 32.609 20.728 17.054 1.00 0.00 C ATOM 727 NE ARG A 44 32.474 19.461 17.810 1.00 0.00 N ATOM 728 CZ ARG A 44 31.382 18.892 18.294 1.00 0.00 C ATOM 729 NH1 ARG A 44 30.221 19.454 18.128 1.00 0.00 N ATOM 730 NH2 ARG A 44 31.460 17.768 18.941 1.00 0.00 N ATOM 0 H ARG A 44 35.588 22.960 18.440 1.00 0.00 H new ATOM 0 HA ARG A 44 34.240 25.090 17.147 1.00 0.00 H new ATOM 0 HB2 ARG A 44 32.552 23.498 16.573 1.00 0.00 H new ATOM 0 HB3 ARG A 44 34.144 22.798 16.357 1.00 0.00 H new ATOM 0 HG2 ARG A 44 33.829 21.622 18.601 1.00 0.00 H new ATOM 0 HG3 ARG A 44 32.170 22.188 18.590 1.00 0.00 H new ATOM 0 HD2 ARG A 44 31.664 20.953 16.559 1.00 0.00 H new ATOM 0 HD3 ARG A 44 33.357 20.601 16.271 1.00 0.00 H new ATOM 0 HE ARG A 44 33.344 18.957 17.981 1.00 0.00 H new ATOM 0 HH11 ARG A 44 30.149 20.337 17.623 1.00 0.00 H new ATOM 0 HH12 ARG A 44 29.382 19.012 18.503 1.00 0.00 H new ATOM 0 HH21 ARG A 44 32.366 17.320 19.078 1.00 0.00 H new ATOM 0 HH22 ARG A 44 30.615 17.333 19.312 1.00 0.00 H new ATOM 744 N SER A 45 33.167 24.558 20.173 1.00 0.00 N ATOM 745 CA SER A 45 32.401 25.198 21.256 1.00 0.00 C ATOM 746 C SER A 45 32.828 26.654 21.490 1.00 0.00 C ATOM 747 O SER A 45 31.981 27.541 21.456 1.00 0.00 O ATOM 748 CB SER A 45 32.513 24.407 22.564 1.00 0.00 C ATOM 749 OG SER A 45 32.137 23.054 22.390 1.00 0.00 O ATOM 0 H SER A 45 33.756 23.787 20.487 1.00 0.00 H new ATOM 0 HA SER A 45 31.360 25.201 20.933 1.00 0.00 H new ATOM 0 HB2 SER A 45 33.538 24.456 22.932 1.00 0.00 H new ATOM 0 HB3 SER A 45 31.879 24.866 23.323 1.00 0.00 H new ATOM 0 HG SER A 45 32.905 22.541 22.063 1.00 0.00 H new ATOM 755 N ILE A 46 34.129 26.943 21.648 1.00 0.00 N ATOM 756 CA ILE A 46 34.644 28.325 21.771 1.00 0.00 C ATOM 757 C ILE A 46 34.337 29.156 20.515 1.00 0.00 C ATOM 758 O ILE A 46 33.945 30.314 20.643 1.00 0.00 O ATOM 759 CB ILE A 46 36.157 28.301 22.110 1.00 0.00 C ATOM 760 CG1 ILE A 46 36.410 28.068 23.621 1.00 0.00 C ATOM 761 CG2 ILE A 46 36.938 29.543 21.649 1.00 0.00 C ATOM 762 CD1 ILE A 46 36.195 29.263 24.551 1.00 0.00 C ATOM 0 H ILE A 46 34.857 26.230 21.695 1.00 0.00 H new ATOM 0 HA ILE A 46 34.127 28.818 22.594 1.00 0.00 H new ATOM 0 HB ILE A 46 36.539 27.456 21.537 1.00 0.00 H new ATOM 0 HG12 ILE A 46 35.760 27.259 23.953 1.00 0.00 H new ATOM 0 HG13 ILE A 46 37.437 27.723 23.744 1.00 0.00 H new ATOM 0 HG21 ILE A 46 37.986 29.438 21.929 1.00 0.00 H new ATOM 0 HG22 ILE A 46 36.859 29.641 20.566 1.00 0.00 H new ATOM 0 HG23 ILE A 46 36.523 30.431 22.125 1.00 0.00 H new ATOM 0 HD11 ILE A 46 36.405 28.967 25.579 1.00 0.00 H new ATOM 0 HD12 ILE A 46 36.865 30.073 24.263 1.00 0.00 H new ATOM 0 HD13 ILE A 46 35.162 29.602 24.475 1.00 0.00 H new ATOM 774 N LYS A 47 34.426 28.569 19.312 1.00 0.00 N ATOM 775 CA LYS A 47 34.134 29.246 18.033 1.00 0.00 C ATOM 776 C LYS A 47 32.684 29.728 17.989 1.00 0.00 C ATOM 777 O LYS A 47 32.423 30.852 17.574 1.00 0.00 O ATOM 778 CB LYS A 47 34.472 28.285 16.877 1.00 0.00 C ATOM 779 CG LYS A 47 34.138 28.779 15.458 1.00 0.00 C ATOM 780 CD LYS A 47 34.831 30.097 15.080 1.00 0.00 C ATOM 781 CE LYS A 47 34.643 30.434 13.592 1.00 0.00 C ATOM 782 NZ LYS A 47 35.435 29.538 12.715 1.00 0.00 N1+ ATOM 0 H LYS A 47 34.707 27.595 19.195 1.00 0.00 H new ATOM 0 HA LYS A 47 34.752 30.138 17.931 1.00 0.00 H new ATOM 0 HB2 LYS A 47 35.538 28.061 16.919 1.00 0.00 H new ATOM 0 HB3 LYS A 47 33.943 27.347 17.046 1.00 0.00 H new ATOM 0 HG2 LYS A 47 34.423 28.011 14.740 1.00 0.00 H new ATOM 0 HG3 LYS A 47 33.059 28.910 15.374 1.00 0.00 H new ATOM 0 HD2 LYS A 47 34.430 30.907 15.690 1.00 0.00 H new ATOM 0 HD3 LYS A 47 35.895 30.026 15.305 1.00 0.00 H new ATOM 0 HE2 LYS A 47 33.587 30.354 13.333 1.00 0.00 H new ATOM 0 HE3 LYS A 47 34.938 31.468 13.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 35.388 29.882 11.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 36.426 29.529 13.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 35.048 28.574 12.763 1.00 0.00 H new ATOM 796 N LYS A 48 31.757 28.907 18.482 1.00 0.00 N ATOM 797 CA LYS A 48 30.347 29.262 18.687 1.00 0.00 C ATOM 798 C LYS A 48 30.135 30.239 19.851 1.00 0.00 C ATOM 799 O LYS A 48 29.313 31.142 19.756 1.00 0.00 O ATOM 800 CB LYS A 48 29.563 27.959 18.878 1.00 0.00 C ATOM 801 CG LYS A 48 29.338 27.277 17.515 1.00 0.00 C ATOM 802 CD LYS A 48 28.429 26.045 17.591 1.00 0.00 C ATOM 803 CE LYS A 48 26.992 26.444 17.940 1.00 0.00 C ATOM 804 NZ LYS A 48 26.074 25.291 17.844 1.00 0.00 N1+ ATOM 0 H LYS A 48 31.969 27.948 18.759 1.00 0.00 H new ATOM 0 HA LYS A 48 29.981 29.798 17.811 1.00 0.00 H new ATOM 0 HB2 LYS A 48 30.109 27.290 19.543 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.604 28.168 19.353 1.00 0.00 H new ATOM 0 HG2 LYS A 48 28.902 27.999 16.824 1.00 0.00 H new ATOM 0 HG3 LYS A 48 30.302 26.982 17.101 1.00 0.00 H new ATOM 0 HD2 LYS A 48 28.443 25.519 16.636 1.00 0.00 H new ATOM 0 HD3 LYS A 48 28.811 25.353 18.342 1.00 0.00 H new ATOM 0 HE2 LYS A 48 26.961 26.852 18.950 1.00 0.00 H new ATOM 0 HE3 LYS A 48 26.658 27.234 17.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 25.109 25.594 18.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 26.086 24.918 16.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 26.379 24.548 18.505 1.00 0.00 H new ATOM 818 N PHE A 49 30.999 30.171 20.860 1.00 0.00 N ATOM 819 CA PHE A 49 30.927 31.070 22.020 1.00 0.00 C ATOM 820 C PHE A 49 31.099 32.534 21.588 1.00 0.00 C ATOM 821 O PHE A 49 30.466 33.437 22.134 1.00 0.00 O ATOM 822 CB PHE A 49 31.994 30.698 23.050 1.00 0.00 C ATOM 823 CG PHE A 49 31.654 29.482 23.862 1.00 0.00 C ATOM 824 CD1 PHE A 49 32.593 28.914 24.707 1.00 0.00 C ATOM 825 CD2 PHE A 49 30.397 28.906 23.782 1.00 0.00 C ATOM 826 CE1 PHE A 49 32.285 27.794 25.457 1.00 0.00 C ATOM 827 CE2 PHE A 49 30.082 27.787 24.529 1.00 0.00 C ATOM 828 CZ PHE A 49 31.028 27.230 25.368 1.00 0.00 C ATOM 0 H PHE A 49 31.765 29.499 20.902 1.00 0.00 H new ATOM 0 HA PHE A 49 29.943 30.958 22.475 1.00 0.00 H new ATOM 0 HB2 PHE A 49 32.939 30.527 22.535 1.00 0.00 H new ATOM 0 HB3 PHE A 49 32.146 31.542 23.723 1.00 0.00 H new ATOM 0 HD1 PHE A 49 33.578 29.351 24.781 1.00 0.00 H new ATOM 0 HD2 PHE A 49 29.654 29.337 23.128 1.00 0.00 H new ATOM 0 HE1 PHE A 49 33.027 27.361 26.112 1.00 0.00 H new ATOM 0 HE2 PHE A 49 29.098 27.348 24.457 1.00 0.00 H new ATOM 0 HZ PHE A 49 30.785 26.355 25.953 1.00 0.00 H new ATOM 838 N LEU A 50 31.965 32.741 20.603 1.00 0.00 N ATOM 839 CA LEU A 50 32.244 34.075 20.042 1.00 0.00 C ATOM 840 C LEU A 50 30.978 34.785 19.539 1.00 0.00 C ATOM 841 O LEU A 50 30.816 35.984 19.757 1.00 0.00 O ATOM 842 CB LEU A 50 33.217 33.969 18.861 1.00 0.00 C ATOM 843 CG LEU A 50 34.646 33.524 19.222 1.00 0.00 C ATOM 844 CD1 LEU A 50 35.435 33.339 17.932 1.00 0.00 C ATOM 845 CD2 LEU A 50 35.398 34.547 20.077 1.00 0.00 C ATOM 0 H LEU A 50 32.500 31.992 20.164 1.00 0.00 H new ATOM 0 HA LEU A 50 32.675 34.657 20.857 1.00 0.00 H new ATOM 0 HB2 LEU A 50 32.807 33.265 18.136 1.00 0.00 H new ATOM 0 HB3 LEU A 50 33.270 34.939 18.368 1.00 0.00 H new ATOM 0 HG LEU A 50 34.557 32.603 19.798 1.00 0.00 H new ATOM 0 HD11 LEU A 50 36.451 33.023 18.169 1.00 0.00 H new ATOM 0 HD12 LEU A 50 34.953 32.579 17.317 1.00 0.00 H new ATOM 0 HD13 LEU A 50 35.466 34.282 17.386 1.00 0.00 H new ATOM 0 HD21 LEU A 50 36.398 34.173 20.296 1.00 0.00 H new ATOM 0 HD22 LEU A 50 35.474 35.489 19.534 1.00 0.00 H new ATOM 0 HD23 LEU A 50 34.858 34.708 21.010 1.00 0.00 H new ATOM 857 N GLU A 51 30.075 34.065 18.865 1.00 0.00 N ATOM 858 CA GLU A 51 28.806 34.626 18.377 1.00 0.00 C ATOM 859 C GLU A 51 27.731 34.693 19.473 1.00 0.00 C ATOM 860 O GLU A 51 26.910 35.609 19.467 1.00 0.00 O ATOM 861 CB GLU A 51 28.314 33.896 17.120 1.00 0.00 C ATOM 862 CG GLU A 51 28.143 32.387 17.295 1.00 0.00 C ATOM 863 CD GLU A 51 27.460 31.729 16.094 1.00 0.00 C ATOM 864 OE1 GLU A 51 27.843 32.038 14.942 1.00 0.00 O ATOM 865 OE2 GLU A 51 26.542 30.902 16.278 1.00 0.00 O ATOM 0 H GLU A 51 30.201 33.078 18.641 1.00 0.00 H new ATOM 0 HA GLU A 51 29.006 35.658 18.090 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.359 34.325 16.815 1.00 0.00 H new ATOM 0 HB3 GLU A 51 29.019 34.078 16.309 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.121 31.930 17.448 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.556 32.193 18.193 1.00 0.00 H new ATOM 872 N LEU A 52 27.805 33.807 20.474 1.00 0.00 N ATOM 873 CA LEU A 52 27.114 34.005 21.764 1.00 0.00 C ATOM 874 C LEU A 52 27.687 35.182 22.578 1.00 0.00 C ATOM 875 O LEU A 52 27.076 35.615 23.551 1.00 0.00 O ATOM 876 CB LEU A 52 27.121 32.728 22.628 1.00 0.00 C ATOM 877 CG LEU A 52 26.571 31.445 21.969 1.00 0.00 C ATOM 878 CD1 LEU A 52 26.220 30.425 23.049 1.00 0.00 C ATOM 879 CD2 LEU A 52 25.299 31.660 21.145 1.00 0.00 C ATOM 0 H LEU A 52 28.339 32.940 20.419 1.00 0.00 H new ATOM 0 HA LEU A 52 26.084 34.247 21.502 1.00 0.00 H new ATOM 0 HB2 LEU A 52 28.146 32.536 22.944 1.00 0.00 H new ATOM 0 HB3 LEU A 52 26.541 32.924 23.530 1.00 0.00 H new ATOM 0 HG LEU A 52 27.362 31.105 21.300 1.00 0.00 H new ATOM 0 HD11 LEU A 52 25.832 29.520 22.582 1.00 0.00 H new ATOM 0 HD12 LEU A 52 27.113 30.182 23.624 1.00 0.00 H new ATOM 0 HD13 LEU A 52 25.464 30.844 23.713 1.00 0.00 H new ATOM 0 HD21 LEU A 52 24.978 30.710 20.716 1.00 0.00 H new ATOM 0 HD22 LEU A 52 24.511 32.053 21.788 1.00 0.00 H new ATOM 0 HD23 LEU A 52 25.501 32.370 20.343 1.00 0.00 H new ATOM 891 N GLN A 53 28.873 35.678 22.206 1.00 0.00 N ATOM 892 CA GLN A 53 29.640 36.745 22.867 1.00 0.00 C ATOM 893 C GLN A 53 30.027 36.456 24.324 1.00 0.00 C ATOM 894 O GLN A 53 30.482 37.348 25.038 1.00 0.00 O ATOM 895 CB GLN A 53 28.958 38.113 22.703 1.00 0.00 C ATOM 896 CG GLN A 53 28.406 38.324 21.284 1.00 0.00 C ATOM 897 CD GLN A 53 28.356 39.788 20.857 1.00 0.00 C ATOM 898 OE1 GLN A 53 29.208 40.608 21.178 1.00 0.00 O ATOM 899 NE2 GLN A 53 27.401 40.158 20.038 1.00 0.00 N ATOM 0 H GLN A 53 29.356 35.322 21.381 1.00 0.00 H new ATOM 0 HA GLN A 53 30.594 36.777 22.341 1.00 0.00 H new ATOM 0 HB2 GLN A 53 28.145 38.199 23.423 1.00 0.00 H new ATOM 0 HB3 GLN A 53 29.673 38.903 22.933 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.023 37.769 20.577 1.00 0.00 H new ATOM 0 HG3 GLN A 53 27.402 37.904 21.228 1.00 0.00 H new ATOM 0 HE21 GLN A 53 26.682 39.491 19.758 1.00 0.00 H new ATOM 0 HE22 GLN A 53 27.377 41.113 19.681 1.00 0.00 H new ATOM 908 N TYR A 54 29.866 35.211 24.777 1.00 0.00 N ATOM 909 CA TYR A 54 30.269 34.755 26.106 1.00 0.00 C ATOM 910 C TYR A 54 31.791 34.635 26.234 1.00 0.00 C ATOM 911 O TYR A 54 32.327 34.801 27.328 1.00 0.00 O ATOM 912 CB TYR A 54 29.591 33.407 26.402 1.00 0.00 C ATOM 913 CG TYR A 54 28.070 33.404 26.375 1.00 0.00 C ATOM 914 CD1 TYR A 54 27.332 34.572 26.656 1.00 0.00 C ATOM 915 CD2 TYR A 54 27.383 32.206 26.094 1.00 0.00 C ATOM 916 CE1 TYR A 54 25.930 34.552 26.675 1.00 0.00 C ATOM 917 CE2 TYR A 54 25.972 32.187 26.075 1.00 0.00 C ATOM 918 CZ TYR A 54 25.243 33.367 26.336 1.00 0.00 C ATOM 919 OH TYR A 54 23.884 33.369 26.268 1.00 0.00 O ATOM 0 H TYR A 54 29.441 34.474 24.214 1.00 0.00 H new ATOM 0 HA TYR A 54 29.949 35.498 26.837 1.00 0.00 H new ATOM 0 HB2 TYR A 54 29.949 32.676 25.677 1.00 0.00 H new ATOM 0 HB3 TYR A 54 29.918 33.067 27.385 1.00 0.00 H new ATOM 0 HD1 TYR A 54 27.854 35.495 26.860 1.00 0.00 H new ATOM 0 HD2 TYR A 54 27.937 31.301 25.893 1.00 0.00 H new ATOM 0 HE1 TYR A 54 25.379 35.440 26.948 1.00 0.00 H new ATOM 0 HE2 TYR A 54 25.449 31.267 25.860 1.00 0.00 H new ATOM 0 HH TYR A 54 23.567 32.475 26.021 1.00 0.00 H new ATOM 929 N VAL A 55 32.487 34.386 25.121 1.00 0.00 N ATOM 930 CA VAL A 55 33.953 34.382 25.049 1.00 0.00 C ATOM 931 C VAL A 55 34.441 35.355 23.972 1.00 0.00 C ATOM 932 O VAL A 55 33.703 35.699 23.048 1.00 0.00 O ATOM 933 CB VAL A 55 34.543 32.957 24.893 1.00 0.00 C ATOM 934 CG1 VAL A 55 33.830 31.945 25.801 1.00 0.00 C ATOM 935 CG2 VAL A 55 34.559 32.498 23.435 1.00 0.00 C ATOM 0 H VAL A 55 32.040 34.178 24.228 1.00 0.00 H new ATOM 0 HA VAL A 55 34.333 34.739 26.006 1.00 0.00 H new ATOM 0 HB VAL A 55 35.582 33.007 25.219 1.00 0.00 H new ATOM 0 HG11 VAL A 55 34.272 30.958 25.663 1.00 0.00 H new ATOM 0 HG12 VAL A 55 33.940 32.250 26.842 1.00 0.00 H new ATOM 0 HG13 VAL A 55 32.771 31.908 25.544 1.00 0.00 H new ATOM 0 HG21 VAL A 55 34.980 31.495 23.374 1.00 0.00 H new ATOM 0 HG22 VAL A 55 33.541 32.488 23.045 1.00 0.00 H new ATOM 0 HG23 VAL A 55 35.167 33.183 22.844 1.00 0.00 H new ATOM 945 N LYS A 56 35.692 35.788 24.102 1.00 0.00 N ATOM 946 CA LYS A 56 36.420 36.693 23.200 1.00 0.00 C ATOM 947 C LYS A 56 37.865 36.217 23.042 1.00 0.00 C ATOM 948 O LYS A 56 38.304 35.319 23.757 1.00 0.00 O ATOM 949 CB LYS A 56 36.340 38.133 23.749 1.00 0.00 C ATOM 950 CG LYS A 56 35.173 38.956 23.174 1.00 0.00 C ATOM 951 CD LYS A 56 35.328 39.308 21.681 1.00 0.00 C ATOM 952 CE LYS A 56 36.565 40.169 21.384 1.00 0.00 C ATOM 953 NZ LYS A 56 36.689 40.483 19.947 1.00 0.00 N1+ ATOM 0 H LYS A 56 36.268 35.499 24.893 1.00 0.00 H new ATOM 0 HA LYS A 56 35.965 36.686 22.210 1.00 0.00 H new ATOM 0 HB2 LYS A 56 36.243 38.093 24.834 1.00 0.00 H new ATOM 0 HB3 LYS A 56 37.276 38.647 23.531 1.00 0.00 H new ATOM 0 HG2 LYS A 56 34.247 38.398 23.311 1.00 0.00 H new ATOM 0 HG3 LYS A 56 35.077 39.879 23.746 1.00 0.00 H new ATOM 0 HD2 LYS A 56 35.388 38.386 21.102 1.00 0.00 H new ATOM 0 HD3 LYS A 56 34.436 39.838 21.345 1.00 0.00 H new ATOM 0 HE2 LYS A 56 36.506 41.096 21.954 1.00 0.00 H new ATOM 0 HE3 LYS A 56 37.460 39.645 21.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 37.536 41.065 19.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 36.771 39.600 19.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 35.847 41.006 19.632 1.00 0.00 H new ATOM 967 N GLU A 57 38.603 36.790 22.101 1.00 0.00 N ATOM 968 CA GLU A 57 39.969 36.392 21.754 1.00 0.00 C ATOM 969 C GLU A 57 40.999 37.530 21.843 1.00 0.00 C ATOM 970 O GLU A 57 40.655 38.696 22.016 1.00 0.00 O ATOM 971 CB GLU A 57 39.963 35.672 20.395 1.00 0.00 C ATOM 972 CG GLU A 57 39.704 36.449 19.087 1.00 0.00 C ATOM 973 CD GLU A 57 38.242 36.788 18.771 1.00 0.00 C ATOM 974 OE1 GLU A 57 37.375 36.503 19.626 1.00 0.00 O ATOM 975 OE2 GLU A 57 37.987 37.278 17.644 1.00 0.00 O ATOM 0 H GLU A 57 38.261 37.569 21.538 1.00 0.00 H new ATOM 0 HA GLU A 57 40.313 35.690 22.514 1.00 0.00 H new ATOM 0 HB2 GLU A 57 40.930 35.181 20.289 1.00 0.00 H new ATOM 0 HB3 GLU A 57 39.211 34.885 20.454 1.00 0.00 H new ATOM 0 HG2 GLU A 57 40.270 37.380 19.125 1.00 0.00 H new ATOM 0 HG3 GLU A 57 40.106 35.866 18.258 1.00 0.00 H new ATOM 1076 N LYS A 65 47.367 32.693 19.626 1.00 0.00 N ATOM 1077 CA LYS A 65 46.351 33.451 20.378 1.00 0.00 C ATOM 1078 C LYS A 65 45.759 32.679 21.567 1.00 0.00 C ATOM 1079 O LYS A 65 45.813 31.454 21.640 1.00 0.00 O ATOM 1080 CB LYS A 65 45.238 33.908 19.420 1.00 0.00 C ATOM 1081 CG LYS A 65 44.186 32.833 19.153 1.00 0.00 C ATOM 1082 CD LYS A 65 43.363 33.045 17.872 1.00 0.00 C ATOM 1083 CE LYS A 65 42.718 34.430 17.671 1.00 0.00 C ATOM 1084 NZ LYS A 65 41.864 34.520 16.460 1.00 0.00 N1+ ATOM 0 HA LYS A 65 46.855 34.316 20.810 1.00 0.00 H new ATOM 0 HB2 LYS A 65 44.749 34.788 19.837 1.00 0.00 H new ATOM 0 HB3 LYS A 65 45.686 34.211 18.473 1.00 0.00 H new ATOM 0 HG2 LYS A 65 44.683 31.865 19.094 1.00 0.00 H new ATOM 0 HG3 LYS A 65 43.505 32.791 20.003 1.00 0.00 H new ATOM 0 HD2 LYS A 65 44.010 32.847 17.018 1.00 0.00 H new ATOM 0 HD3 LYS A 65 42.570 32.297 17.852 1.00 0.00 H new ATOM 0 HE2 LYS A 65 42.117 34.672 18.548 1.00 0.00 H new ATOM 0 HE3 LYS A 65 43.505 35.182 17.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 41.464 35.477 16.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 42.437 34.320 15.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 41.092 33.826 16.527 1.00 0.00 H new ATOM 1098 N THR A 66 45.075 33.420 22.415 1.00 0.00 N ATOM 1099 CA THR A 66 44.327 32.901 23.570 1.00 0.00 C ATOM 1100 C THR A 66 42.923 33.520 23.655 1.00 0.00 C ATOM 1101 O THR A 66 42.614 34.449 22.905 1.00 0.00 O ATOM 1102 CB THR A 66 45.179 33.080 24.829 1.00 0.00 C ATOM 1103 OG1 THR A 66 44.574 32.438 25.926 1.00 0.00 O ATOM 1104 CG2 THR A 66 45.444 34.541 25.195 1.00 0.00 C ATOM 0 H THR A 66 45.015 34.434 22.327 1.00 0.00 H new ATOM 0 HA THR A 66 44.141 31.833 23.457 1.00 0.00 H new ATOM 0 HB THR A 66 46.143 32.627 24.597 1.00 0.00 H new ATOM 0 HG1 THR A 66 45.130 32.559 26.724 1.00 0.00 H new ATOM 0 HG21 THR A 66 46.054 34.585 26.097 1.00 0.00 H new ATOM 0 HG22 THR A 66 45.971 35.031 24.377 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.496 35.049 25.372 1.00 0.00 H new ATOM 1112 N PHE A 67 42.057 32.963 24.510 1.00 0.00 N ATOM 1113 CA PHE A 67 40.620 33.263 24.585 1.00 0.00 C ATOM 1114 C PHE A 67 40.194 33.534 26.037 1.00 0.00 C ATOM 1115 O PHE A 67 40.638 32.850 26.954 1.00 0.00 O ATOM 1116 CB PHE A 67 39.795 32.123 23.946 1.00 0.00 C ATOM 1117 CG PHE A 67 39.960 31.946 22.439 1.00 0.00 C ATOM 1118 CD1 PHE A 67 41.154 31.430 21.894 1.00 0.00 C ATOM 1119 CD2 PHE A 67 38.911 32.300 21.568 1.00 0.00 C ATOM 1120 CE1 PHE A 67 41.325 31.336 20.501 1.00 0.00 C ATOM 1121 CE2 PHE A 67 39.056 32.141 20.177 1.00 0.00 C ATOM 1122 CZ PHE A 67 40.268 31.677 19.640 1.00 0.00 C ATOM 0 H PHE A 67 42.347 32.265 25.195 1.00 0.00 H new ATOM 0 HA PHE A 67 40.422 34.171 24.015 1.00 0.00 H new ATOM 0 HB2 PHE A 67 40.066 31.187 24.434 1.00 0.00 H new ATOM 0 HB3 PHE A 67 38.741 32.300 24.158 1.00 0.00 H new ATOM 0 HD1 PHE A 67 41.945 31.104 22.553 1.00 0.00 H new ATOM 0 HD2 PHE A 67 37.990 32.696 21.970 1.00 0.00 H new ATOM 0 HE1 PHE A 67 42.268 31.002 20.094 1.00 0.00 H new ATOM 0 HE2 PHE A 67 38.232 32.377 19.520 1.00 0.00 H new ATOM 0 HZ PHE A 67 40.387 31.583 18.571 1.00 0.00 H new ATOM 1132 N TYR A 68 39.335 34.527 26.266 1.00 0.00 N ATOM 1133 CA TYR A 68 38.859 34.955 27.590 1.00 0.00 C ATOM 1134 C TYR A 68 37.328 35.081 27.617 1.00 0.00 C ATOM 1135 O TYR A 68 36.668 34.831 26.610 1.00 0.00 O ATOM 1136 CB TYR A 68 39.560 36.256 28.000 1.00 0.00 C ATOM 1137 CG TYR A 68 39.205 37.461 27.157 1.00 0.00 C ATOM 1138 CD1 TYR A 68 38.019 38.179 27.411 1.00 0.00 C ATOM 1139 CD2 TYR A 68 40.082 37.874 26.139 1.00 0.00 C ATOM 1140 CE1 TYR A 68 37.723 39.333 26.664 1.00 0.00 C ATOM 1141 CE2 TYR A 68 39.787 39.028 25.385 1.00 0.00 C ATOM 1142 CZ TYR A 68 38.615 39.768 25.664 1.00 0.00 C ATOM 1143 OH TYR A 68 38.340 40.913 24.989 1.00 0.00 O ATOM 0 H TYR A 68 38.934 35.079 25.508 1.00 0.00 H new ATOM 0 HA TYR A 68 39.116 34.192 28.325 1.00 0.00 H new ATOM 0 HB2 TYR A 68 39.314 36.472 29.040 1.00 0.00 H new ATOM 0 HB3 TYR A 68 40.638 36.102 27.953 1.00 0.00 H new ATOM 0 HD1 TYR A 68 37.338 37.843 28.179 1.00 0.00 H new ATOM 0 HD2 TYR A 68 40.979 37.309 25.935 1.00 0.00 H new ATOM 0 HE1 TYR A 68 36.814 39.884 26.856 1.00 0.00 H new ATOM 0 HE2 TYR A 68 40.454 39.346 24.597 1.00 0.00 H new ATOM 0 HH TYR A 68 39.047 41.083 24.332 1.00 0.00 H new ATOM 1153 N ILE A 69 36.745 35.418 28.772 1.00 0.00 N ATOM 1154 CA ILE A 69 35.301 35.306 29.025 1.00 0.00 C ATOM 1155 C ILE A 69 34.724 36.655 29.478 1.00 0.00 C ATOM 1156 O ILE A 69 35.268 37.313 30.362 1.00 0.00 O ATOM 1157 CB ILE A 69 35.034 34.132 29.994 1.00 0.00 C ATOM 1158 CG1 ILE A 69 35.616 32.813 29.418 1.00 0.00 C ATOM 1159 CG2 ILE A 69 33.531 33.944 30.258 1.00 0.00 C ATOM 1160 CD1 ILE A 69 36.985 32.442 29.997 1.00 0.00 C ATOM 0 H ILE A 69 37.268 35.781 29.569 1.00 0.00 H new ATOM 0 HA ILE A 69 34.769 35.067 28.104 1.00 0.00 H new ATOM 0 HB ILE A 69 35.525 34.374 30.937 1.00 0.00 H new ATOM 0 HG12 ILE A 69 34.916 32.001 29.614 1.00 0.00 H new ATOM 0 HG13 ILE A 69 35.702 32.906 28.335 1.00 0.00 H new ATOM 0 HG21 ILE A 69 33.384 33.110 30.944 1.00 0.00 H new ATOM 0 HG22 ILE A 69 33.123 34.853 30.700 1.00 0.00 H new ATOM 0 HG23 ILE A 69 33.020 33.736 29.318 1.00 0.00 H new ATOM 0 HD11 ILE A 69 37.329 31.510 29.549 1.00 0.00 H new ATOM 0 HD12 ILE A 69 37.700 33.235 29.778 1.00 0.00 H new ATOM 0 HD13 ILE A 69 36.902 32.316 31.077 1.00 0.00 H new ATOM 1172 N THR A 70 33.644 37.092 28.830 1.00 0.00 N ATOM 1173 CA THR A 70 33.068 38.437 28.940 1.00 0.00 C ATOM 1174 C THR A 70 32.038 38.549 30.079 1.00 0.00 C ATOM 1175 O THR A 70 31.357 37.565 30.389 1.00 0.00 O ATOM 1176 CB THR A 70 32.334 38.769 27.628 1.00 0.00 C ATOM 1177 OG1 THR A 70 31.199 37.944 27.497 1.00 0.00 O ATOM 1178 CG2 THR A 70 33.205 38.596 26.380 1.00 0.00 C ATOM 0 H THR A 70 33.123 36.496 28.187 1.00 0.00 H new ATOM 0 HA THR A 70 33.890 39.123 29.145 1.00 0.00 H new ATOM 0 HB THR A 70 32.058 39.821 27.692 1.00 0.00 H new ATOM 0 HG1 THR A 70 31.173 37.565 26.594 1.00 0.00 H new ATOM 0 HG21 THR A 70 32.624 38.847 25.493 1.00 0.00 H new ATOM 0 HG22 THR A 70 34.070 39.256 26.446 1.00 0.00 H new ATOM 0 HG23 THR A 70 33.542 37.562 26.312 1.00 0.00 H new ATOM 1186 N PRO A 71 31.808 39.748 30.657 1.00 0.00 N ATOM 1187 CA PRO A 71 30.704 39.953 31.600 1.00 0.00 C ATOM 1188 C PRO A 71 29.344 39.528 31.017 1.00 0.00 C ATOM 1189 O PRO A 71 28.531 38.942 31.731 1.00 0.00 O ATOM 1190 CB PRO A 71 30.742 41.437 31.977 1.00 0.00 C ATOM 1191 CG PRO A 71 31.371 42.091 30.750 1.00 0.00 C ATOM 1192 CD PRO A 71 32.395 41.045 30.306 1.00 0.00 C ATOM 0 HA PRO A 71 30.824 39.324 32.482 1.00 0.00 H new ATOM 0 HB2 PRO A 71 29.744 41.828 32.175 1.00 0.00 H new ATOM 0 HB3 PRO A 71 31.336 41.610 32.875 1.00 0.00 H new ATOM 0 HG2 PRO A 71 30.633 42.291 29.974 1.00 0.00 H new ATOM 0 HG3 PRO A 71 31.843 43.043 30.994 1.00 0.00 H new ATOM 0 HD2 PRO A 71 32.586 41.112 29.235 1.00 0.00 H new ATOM 0 HD3 PRO A 71 33.350 41.193 30.810 1.00 0.00 H new ATOM 1200 N ASN A 72 29.139 39.714 29.705 1.00 0.00 N ATOM 1201 CA ASN A 72 27.928 39.342 28.967 1.00 0.00 C ATOM 1202 C ASN A 72 27.581 37.846 29.108 1.00 0.00 C ATOM 1203 O ASN A 72 26.405 37.476 29.127 1.00 0.00 O ATOM 1204 CB ASN A 72 28.093 39.680 27.465 1.00 0.00 C ATOM 1205 CG ASN A 72 28.083 41.162 27.109 1.00 0.00 C ATOM 1206 OD1 ASN A 72 27.562 42.009 27.826 1.00 0.00 O ATOM 1207 ND2 ASN A 72 28.662 41.542 25.998 1.00 0.00 N ATOM 0 H ASN A 72 29.843 40.146 29.106 1.00 0.00 H new ATOM 0 HA ASN A 72 27.110 39.918 29.401 1.00 0.00 H new ATOM 0 HB2 ASN A 72 29.032 39.249 27.117 1.00 0.00 H new ATOM 0 HB3 ASN A 72 27.293 39.188 26.912 1.00 0.00 H new ATOM 0 HD21 ASN A 72 28.675 42.529 25.741 1.00 0.00 H new ATOM 0 HD22 ASN A 72 29.101 40.851 25.389 1.00 0.00 H new ATOM 1214 N GLY A 73 28.600 36.981 29.200 1.00 0.00 N ATOM 1215 CA GLY A 73 28.428 35.573 29.555 1.00 0.00 C ATOM 1216 C GLY A 73 28.377 35.335 31.059 1.00 0.00 C ATOM 1217 O GLY A 73 27.535 34.570 31.529 1.00 0.00 O ATOM 0 H GLY A 73 29.571 37.244 29.029 1.00 0.00 H new ATOM 0 HA2 GLY A 73 27.508 35.201 29.103 1.00 0.00 H new ATOM 0 HA3 GLY A 73 29.248 34.995 29.130 1.00 0.00 H new ATOM 1221 N ILE A 74 29.256 35.988 31.824 1.00 0.00 N ATOM 1222 CA ILE A 74 29.475 35.707 33.248 1.00 0.00 C ATOM 1223 C ILE A 74 28.218 35.972 34.077 1.00 0.00 C ATOM 1224 O ILE A 74 27.913 35.166 34.954 1.00 0.00 O ATOM 1225 CB ILE A 74 30.694 36.488 33.772 1.00 0.00 C ATOM 1226 CG1 ILE A 74 31.924 36.064 32.948 1.00 0.00 C ATOM 1227 CG2 ILE A 74 30.972 36.250 35.268 1.00 0.00 C ATOM 1228 CD1 ILE A 74 33.077 37.063 33.043 1.00 0.00 C ATOM 0 H ILE A 74 29.846 36.739 31.467 1.00 0.00 H new ATOM 0 HA ILE A 74 29.694 34.645 33.355 1.00 0.00 H new ATOM 0 HB ILE A 74 30.481 37.551 33.663 1.00 0.00 H new ATOM 0 HG12 ILE A 74 32.266 35.088 33.292 1.00 0.00 H new ATOM 0 HG13 ILE A 74 31.634 35.950 31.904 1.00 0.00 H new ATOM 0 HG21 ILE A 74 31.843 36.829 35.573 1.00 0.00 H new ATOM 0 HG22 ILE A 74 30.107 36.561 35.853 1.00 0.00 H new ATOM 0 HG23 ILE A 74 31.163 35.191 35.439 1.00 0.00 H new ATOM 0 HD11 ILE A 74 33.915 36.710 32.442 1.00 0.00 H new ATOM 0 HD12 ILE A 74 32.748 38.034 32.673 1.00 0.00 H new ATOM 0 HD13 ILE A 74 33.391 37.158 34.082 1.00 0.00 H new ATOM 1240 N GLU A 75 27.454 37.026 33.775 1.00 0.00 N ATOM 1241 CA GLU A 75 26.170 37.297 34.440 1.00 0.00 C ATOM 1242 C GLU A 75 25.199 36.116 34.345 1.00 0.00 C ATOM 1243 O GLU A 75 24.560 35.754 35.332 1.00 0.00 O ATOM 1244 CB GLU A 75 25.506 38.540 33.842 1.00 0.00 C ATOM 1245 CG GLU A 75 26.257 39.826 34.217 1.00 0.00 C ATOM 1246 CD GLU A 75 25.313 41.030 34.318 1.00 0.00 C ATOM 1247 OE1 GLU A 75 24.238 40.928 34.953 1.00 0.00 O ATOM 1248 OE2 GLU A 75 25.632 42.114 33.778 1.00 0.00 O ATOM 0 H GLU A 75 27.704 37.715 33.066 1.00 0.00 H new ATOM 0 HA GLU A 75 26.397 37.464 35.493 1.00 0.00 H new ATOM 0 HB2 GLU A 75 25.468 38.445 32.757 1.00 0.00 H new ATOM 0 HB3 GLU A 75 24.476 38.606 34.192 1.00 0.00 H new ATOM 0 HG2 GLU A 75 26.767 39.684 35.170 1.00 0.00 H new ATOM 0 HG3 GLU A 75 27.025 40.029 33.471 1.00 0.00 H new ATOM 1255 N LYS A 76 25.154 35.430 33.196 1.00 0.00 N ATOM 1256 CA LYS A 76 24.315 34.237 33.030 1.00 0.00 C ATOM 1257 C LYS A 76 24.768 33.119 33.978 1.00 0.00 C ATOM 1258 O LYS A 76 23.930 32.475 34.602 1.00 0.00 O ATOM 1259 CB LYS A 76 24.267 33.801 31.553 1.00 0.00 C ATOM 1260 CG LYS A 76 24.051 34.987 30.588 1.00 0.00 C ATOM 1261 CD LYS A 76 23.321 34.606 29.302 1.00 0.00 C ATOM 1262 CE LYS A 76 23.061 35.887 28.496 1.00 0.00 C ATOM 1263 NZ LYS A 76 22.330 35.624 27.234 1.00 0.00 N1+ ATOM 0 H LYS A 76 25.690 35.682 32.366 1.00 0.00 H new ATOM 0 HA LYS A 76 23.290 34.481 33.309 1.00 0.00 H new ATOM 0 HB2 LYS A 76 25.198 33.295 31.297 1.00 0.00 H new ATOM 0 HB3 LYS A 76 23.463 33.077 31.418 1.00 0.00 H new ATOM 0 HG2 LYS A 76 23.483 35.763 31.101 1.00 0.00 H new ATOM 0 HG3 LYS A 76 25.019 35.417 30.332 1.00 0.00 H new ATOM 0 HD2 LYS A 76 23.919 33.906 28.719 1.00 0.00 H new ATOM 0 HD3 LYS A 76 22.381 34.106 29.533 1.00 0.00 H new ATOM 0 HE2 LYS A 76 22.488 36.586 29.105 1.00 0.00 H new ATOM 0 HE3 LYS A 76 24.012 36.368 28.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 22.371 36.468 26.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 22.768 34.821 26.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 21.337 35.399 27.448 1.00 0.00 H new ATOM 1277 N LEU A 77 26.082 32.980 34.197 1.00 0.00 N ATOM 1278 CA LEU A 77 26.686 32.047 35.164 1.00 0.00 C ATOM 1279 C LEU A 77 26.372 32.391 36.638 1.00 0.00 C ATOM 1280 O LEU A 77 26.527 31.536 37.509 1.00 0.00 O ATOM 1281 CB LEU A 77 28.218 31.942 34.976 1.00 0.00 C ATOM 1282 CG LEU A 77 28.760 32.015 33.538 1.00 0.00 C ATOM 1283 CD1 LEU A 77 30.290 32.022 33.520 1.00 0.00 C ATOM 1284 CD2 LEU A 77 28.262 30.900 32.629 1.00 0.00 C ATOM 0 H LEU A 77 26.777 33.529 33.692 1.00 0.00 H new ATOM 0 HA LEU A 77 26.225 31.083 34.949 1.00 0.00 H new ATOM 0 HB2 LEU A 77 28.684 32.741 35.553 1.00 0.00 H new ATOM 0 HB3 LEU A 77 28.547 30.999 35.413 1.00 0.00 H new ATOM 0 HG LEU A 77 28.372 32.954 33.143 1.00 0.00 H new ATOM 0 HD11 LEU A 77 30.642 32.074 32.490 1.00 0.00 H new ATOM 0 HD12 LEU A 77 30.656 32.887 34.073 1.00 0.00 H new ATOM 0 HD13 LEU A 77 30.664 31.110 33.985 1.00 0.00 H new ATOM 0 HD21 LEU A 77 28.690 31.023 31.634 1.00 0.00 H new ATOM 0 HD22 LEU A 77 28.564 29.936 33.037 1.00 0.00 H new ATOM 0 HD23 LEU A 77 27.175 30.942 32.564 1.00 0.00 H new