USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 553 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 62 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Set 1.2: A 65 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.341 X(o=-0.34,f=-0.006) USER MOD Single : A 18 HIS : no HD1:sc= -0.0391 X(o=-0.039,f=-0.039) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HD1:sc= -5.21! C(o=-5.2!,f=-6!) USER MOD Single : A 23 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.35) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.727 K(o=0.73,f=-1.8) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0.02) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.12) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 161:sc= -0.127 (180deg=-1.22) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.18 K(o=-0.18,f=-0.7) USER MOD Single : A 66 GLN : amide:sc= -0.326 K(o=-0.33,f=-2.5!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N MET A 9 -14.490 -7.119 3.579 1.00 1.18 N ATOM 59 CA MET A 9 -13.289 -6.335 3.317 1.00 0.82 C ATOM 60 C MET A 9 -12.630 -6.787 2.021 1.00 0.72 C ATOM 61 O MET A 9 -12.735 -7.950 1.634 1.00 0.97 O ATOM 62 CB MET A 9 -12.306 -6.484 4.475 1.00 1.08 C ATOM 63 CG MET A 9 -12.206 -7.933 4.942 1.00 1.61 C ATOM 64 SD MET A 9 -10.503 -8.502 5.069 1.00 2.27 S ATOM 65 CE MET A 9 -10.483 -9.142 6.750 1.00 2.82 C ATOM 0 HA MET A 9 -13.573 -5.287 3.219 1.00 0.82 H new ATOM 0 HB2 MET A 9 -11.322 -6.132 4.166 1.00 1.08 H new ATOM 0 HB3 MET A 9 -12.623 -5.854 5.306 1.00 1.08 H new ATOM 0 HG2 MET A 9 -12.692 -8.033 5.913 1.00 1.61 H new ATOM 0 HG3 MET A 9 -12.749 -8.573 4.247 1.00 1.61 H new ATOM 0 HE1 MET A 9 -9.491 -9.532 6.979 1.00 2.82 H new ATOM 0 HE2 MET A 9 -10.728 -8.341 7.447 1.00 2.82 H new ATOM 0 HE3 MET A 9 -11.218 -9.942 6.844 1.00 2.82 H new ATOM 75 N ASP A 10 -11.950 -5.861 1.352 1.00 0.49 N ATOM 76 CA ASP A 10 -11.275 -6.169 0.097 1.00 0.42 C ATOM 77 C ASP A 10 -9.788 -5.858 0.200 1.00 0.38 C ATOM 78 O ASP A 10 -9.396 -4.706 0.389 1.00 0.54 O ATOM 79 CB ASP A 10 -11.896 -5.365 -1.042 1.00 0.44 C ATOM 80 CG ASP A 10 -13.090 -6.110 -1.623 1.00 0.86 C ATOM 81 OD1 ASP A 10 -14.217 -5.912 -1.122 1.00 1.53 O ATOM 82 OD2 ASP A 10 -12.897 -6.892 -2.579 1.00 1.55 O ATOM 0 H ASP A 10 -11.852 -4.893 1.658 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.395 -7.233 -0.109 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -12.211 -4.387 -0.677 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -11.153 -5.191 -1.821 1.00 0.44 H new ATOM 87 N TYR A 11 -8.961 -6.892 0.077 1.00 0.40 N ATOM 88 CA TYR A 11 -7.515 -6.728 0.160 1.00 0.37 C ATOM 89 C TYR A 11 -6.860 -7.039 -1.181 1.00 0.34 C ATOM 90 O TYR A 11 -7.463 -7.673 -2.047 1.00 0.38 O ATOM 91 CB TYR A 11 -6.947 -7.641 1.244 1.00 0.42 C ATOM 92 CG TYR A 11 -7.001 -9.104 0.878 1.00 0.48 C ATOM 93 CD1 TYR A 11 -8.145 -9.841 1.125 1.00 0.54 C ATOM 94 CD2 TYR A 11 -5.906 -9.714 0.290 1.00 0.57 C ATOM 95 CE1 TYR A 11 -8.196 -11.182 0.787 1.00 0.63 C ATOM 96 CE2 TYR A 11 -5.956 -11.056 -0.048 1.00 0.67 C ATOM 97 CZ TYR A 11 -7.097 -11.785 0.209 1.00 0.67 C ATOM 98 OH TYR A 11 -7.152 -13.117 -0.133 1.00 0.78 O ATOM 0 H TYR A 11 -9.268 -7.852 -0.080 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.299 -5.691 0.417 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -5.912 -7.360 1.441 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.501 -7.484 2.169 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -9.001 -9.368 1.583 1.00 0.54 H new ATOM 0 HD2 TYR A 11 -5.011 -9.142 0.095 1.00 0.57 H new ATOM 0 HE1 TYR A 11 -9.092 -11.755 0.975 1.00 0.63 H new ATOM 0 HE2 TYR A 11 -5.103 -11.530 -0.512 1.00 0.67 H new ATOM 0 HH TYR A 11 -6.298 -13.388 -0.530 1.00 0.78 H new ATOM 108 N VAL A 12 -5.621 -6.588 -1.343 1.00 0.34 N ATOM 109 CA VAL A 12 -4.872 -6.811 -2.573 1.00 0.34 C ATOM 110 C VAL A 12 -3.397 -6.495 -2.355 1.00 0.35 C ATOM 111 O VAL A 12 -3.051 -5.445 -1.813 1.00 0.51 O ATOM 112 CB VAL A 12 -5.433 -5.939 -3.693 1.00 0.38 C ATOM 113 CG1 VAL A 12 -5.255 -4.459 -3.368 1.00 0.52 C ATOM 114 CG2 VAL A 12 -4.774 -6.282 -5.026 1.00 0.81 C ATOM 0 H VAL A 12 -5.112 -6.062 -0.632 1.00 0.34 H new ATOM 0 HA VAL A 12 -4.969 -7.859 -2.858 1.00 0.34 H new ATOM 0 HB VAL A 12 -6.501 -6.142 -3.778 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -5.662 -3.857 -4.180 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -5.781 -4.224 -2.443 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -4.194 -4.238 -3.249 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -5.189 -5.649 -5.810 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -3.699 -6.114 -4.954 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -4.963 -7.328 -5.267 1.00 0.81 H new ATOM 124 N GLU A 13 -2.530 -7.412 -2.772 1.00 0.49 N ATOM 125 CA GLU A 13 -1.089 -7.233 -2.613 1.00 0.54 C ATOM 126 C GLU A 13 -0.455 -6.783 -3.923 1.00 0.50 C ATOM 127 O GLU A 13 -0.833 -7.247 -4.999 1.00 0.60 O ATOM 128 CB GLU A 13 -0.441 -8.538 -2.153 1.00 0.67 C ATOM 129 CG GLU A 13 -1.321 -9.295 -1.161 1.00 1.05 C ATOM 130 CD GLU A 13 -0.525 -9.662 0.085 1.00 1.43 C ATOM 131 OE1 GLU A 13 0.060 -8.751 0.707 1.00 2.05 O ATOM 132 OE2 GLU A 13 -0.488 -10.860 0.436 1.00 1.97 O ATOM 0 H GLU A 13 -2.799 -8.287 -3.223 1.00 0.49 H new ATOM 0 HA GLU A 13 -0.924 -6.464 -1.859 1.00 0.54 H new ATOM 0 HB2 GLU A 13 -0.244 -9.170 -3.019 1.00 0.67 H new ATOM 0 HB3 GLU A 13 0.522 -8.321 -1.691 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -2.178 -8.682 -0.884 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -1.713 -10.198 -1.629 1.00 1.05 H new ATOM 139 N ILE A 14 0.518 -5.883 -3.824 1.00 0.48 N ATOM 140 CA ILE A 14 1.214 -5.377 -5.002 1.00 0.49 C ATOM 141 C ILE A 14 2.664 -5.842 -4.998 1.00 0.48 C ATOM 142 O ILE A 14 3.402 -5.606 -4.040 1.00 0.43 O ATOM 143 CB ILE A 14 1.153 -3.852 -5.039 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.624 -3.262 -3.714 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.257 -3.373 -5.368 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.698 -1.738 -3.774 1.00 0.63 C ATOM 0 H ILE A 14 0.842 -5.489 -2.941 1.00 0.48 H new ATOM 0 HA ILE A 14 0.721 -5.769 -5.892 1.00 0.49 H new ATOM 0 HB ILE A 14 1.822 -3.506 -5.826 1.00 0.52 H new ATOM 0 HG12 ILE A 14 0.943 -3.563 -2.918 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.605 -3.665 -3.463 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.276 -2.283 -5.389 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.554 -3.760 -6.343 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -0.950 -3.733 -4.608 1.00 0.64 H new ATOM 0 HD11 ILE A 14 2.037 -1.352 -2.813 1.00 0.63 H new ATOM 0 HD12 ILE A 14 2.399 -1.438 -4.553 1.00 0.63 H new ATOM 0 HD13 ILE A 14 0.711 -1.334 -3.999 1.00 0.63 H new ATOM 158 N ASN A 15 3.065 -6.515 -6.073 1.00 0.59 N ATOM 159 CA ASN A 15 4.424 -7.026 -6.198 1.00 0.62 C ATOM 160 C ASN A 15 5.415 -5.887 -6.394 1.00 0.60 C ATOM 161 O ASN A 15 5.412 -5.217 -7.427 1.00 0.78 O ATOM 162 CB ASN A 15 4.507 -7.993 -7.376 1.00 0.79 C ATOM 163 CG ASN A 15 5.339 -9.211 -7.002 1.00 1.31 C ATOM 164 OD1 ASN A 15 6.424 -9.427 -7.541 1.00 2.20 O ATOM 165 ND2 ASN A 15 4.828 -10.013 -6.075 1.00 1.54 N ATOM 0 H ASN A 15 2.465 -6.719 -6.872 1.00 0.59 H new ATOM 0 HA ASN A 15 4.681 -7.551 -5.278 1.00 0.62 H new ATOM 0 HB2 ASN A 15 3.505 -8.305 -7.670 1.00 0.79 H new ATOM 0 HB3 ASN A 15 4.950 -7.492 -8.236 1.00 0.79 H new ATOM 0 HD21 ASN A 15 5.339 -10.846 -5.784 1.00 1.54 H new ATOM 0 HD22 ASN A 15 3.925 -9.796 -5.654 1.00 1.54 H new ATOM 172 N ILE A 16 6.267 -5.676 -5.397 1.00 0.49 N ATOM 173 CA ILE A 16 7.274 -4.622 -5.456 1.00 0.49 C ATOM 174 C ILE A 16 8.670 -5.223 -5.357 1.00 0.56 C ATOM 175 O ILE A 16 8.832 -6.373 -4.947 1.00 0.66 O ATOM 176 CB ILE A 16 7.052 -3.624 -4.324 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.591 -3.182 -4.278 1.00 0.63 C ATOM 178 CG2 ILE A 16 7.972 -2.417 -4.476 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.222 -2.336 -5.493 1.00 0.84 C ATOM 0 H ILE A 16 6.281 -6.222 -4.536 1.00 0.49 H new ATOM 0 HA ILE A 16 7.183 -4.101 -6.409 1.00 0.49 H new ATOM 0 HB ILE A 16 7.293 -4.118 -3.383 1.00 0.48 H new ATOM 0 HG12 ILE A 16 4.946 -4.060 -4.235 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.412 -2.610 -3.368 1.00 0.63 H new ATOM 0 HG21 ILE A 16 7.795 -1.719 -3.657 1.00 0.58 H new ATOM 0 HG22 ILE A 16 9.011 -2.746 -4.454 1.00 0.58 H new ATOM 0 HG23 ILE A 16 7.768 -1.921 -5.425 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.175 -2.040 -5.426 1.00 0.84 H new ATOM 0 HD12 ILE A 16 5.850 -1.446 -5.521 1.00 0.84 H new ATOM 0 HD13 ILE A 16 5.377 -2.917 -6.402 1.00 0.84 H new ATOM 191 N ASP A 17 9.677 -4.444 -5.737 1.00 0.63 N ATOM 192 CA ASP A 17 11.059 -4.908 -5.693 1.00 0.75 C ATOM 193 C ASP A 17 11.990 -3.785 -5.254 1.00 1.00 C ATOM 194 O ASP A 17 12.526 -3.807 -4.146 1.00 1.75 O ATOM 195 CB ASP A 17 11.482 -5.418 -7.066 1.00 1.27 C ATOM 196 CG ASP A 17 11.619 -6.934 -7.051 1.00 1.63 C ATOM 197 OD1 ASP A 17 10.579 -7.626 -7.044 1.00 2.21 O ATOM 198 OD2 ASP A 17 12.765 -7.429 -7.044 1.00 2.16 O ATOM 0 H ASP A 17 9.563 -3.490 -6.078 1.00 0.63 H new ATOM 0 HA ASP A 17 11.125 -5.720 -4.969 1.00 0.75 H new ATOM 0 HB2 ASP A 17 10.747 -5.121 -7.814 1.00 1.27 H new ATOM 0 HB3 ASP A 17 12.430 -4.964 -7.353 1.00 1.27 H new ATOM 203 N HIS A 18 12.180 -2.806 -6.132 1.00 1.27 N ATOM 204 CA HIS A 18 13.050 -1.669 -5.844 1.00 1.85 C ATOM 205 C HIS A 18 12.743 -1.085 -4.470 1.00 1.32 C ATOM 206 O HIS A 18 11.768 -1.471 -3.825 1.00 2.00 O ATOM 207 CB HIS A 18 12.872 -0.597 -6.915 1.00 2.83 C ATOM 208 CG HIS A 18 13.215 -1.086 -8.288 1.00 3.48 C ATOM 209 ND1 HIS A 18 14.501 -1.305 -8.711 1.00 4.01 N ATOM 210 CD2 HIS A 18 12.438 -1.411 -9.354 1.00 4.16 C ATOM 211 CE1 HIS A 18 14.521 -1.735 -9.952 1.00 4.73 C ATOM 212 NE2 HIS A 18 13.273 -1.812 -10.379 1.00 4.84 N ATOM 0 H HIS A 18 11.742 -2.776 -7.053 1.00 1.27 H new ATOM 0 HA HIS A 18 14.083 -2.016 -5.847 1.00 1.85 H new ATOM 0 HB2 HIS A 18 11.839 -0.249 -6.906 1.00 2.83 H new ATOM 0 HB3 HIS A 18 13.500 0.260 -6.672 1.00 2.83 H new ATOM 0 HD2 HIS A 18 11.360 -1.364 -9.393 1.00 4.16 H new ATOM 0 HE1 HIS A 18 15.403 -1.982 -10.523 1.00 4.73 H new ATOM 0 HE2 HIS A 18 12.977 -2.116 -11.307 1.00 4.84 H new ATOM 220 N LYS A 19 13.583 -0.155 -4.028 1.00 0.82 N ATOM 221 CA LYS A 19 13.407 0.483 -2.729 1.00 0.84 C ATOM 222 C LYS A 19 12.163 1.362 -2.728 1.00 0.77 C ATOM 223 O LYS A 19 12.255 2.584 -2.620 1.00 1.13 O ATOM 224 CB LYS A 19 14.636 1.322 -2.388 1.00 1.47 C ATOM 225 CG LYS A 19 15.913 0.488 -2.424 1.00 1.97 C ATOM 226 CD LYS A 19 16.071 -0.353 -1.160 1.00 2.72 C ATOM 227 CE LYS A 19 17.325 -1.222 -1.218 1.00 3.37 C ATOM 228 NZ LYS A 19 17.011 -2.596 -1.700 1.00 4.03 N ATOM 0 H LYS A 19 14.394 0.174 -4.552 1.00 0.82 H new ATOM 0 HA LYS A 19 13.284 -0.295 -1.976 1.00 0.84 H new ATOM 0 HB2 LYS A 19 14.720 2.148 -3.094 1.00 1.47 H new ATOM 0 HB3 LYS A 19 14.515 1.760 -1.397 1.00 1.47 H new ATOM 0 HG2 LYS A 19 15.897 -0.165 -3.297 1.00 1.97 H new ATOM 0 HG3 LYS A 19 16.775 1.146 -2.534 1.00 1.97 H new ATOM 0 HD2 LYS A 19 16.121 0.302 -0.290 1.00 2.72 H new ATOM 0 HD3 LYS A 19 15.194 -0.987 -1.032 1.00 2.72 H new ATOM 0 HE2 LYS A 19 18.059 -0.761 -1.880 1.00 3.37 H new ATOM 0 HE3 LYS A 19 17.778 -1.276 -0.228 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 17.883 -3.162 -1.728 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 16.329 -3.043 -1.054 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 16.601 -2.544 -2.654 1.00 4.03 H new ATOM 242 N PHE A 20 10.998 0.732 -2.851 1.00 0.63 N ATOM 243 CA PHE A 20 9.730 1.454 -2.865 1.00 0.61 C ATOM 244 C PHE A 20 9.264 1.749 -1.445 1.00 0.62 C ATOM 245 O PHE A 20 8.813 2.853 -1.144 1.00 0.95 O ATOM 246 CB PHE A 20 8.672 0.631 -3.595 1.00 0.62 C ATOM 247 CG PHE A 20 8.197 1.275 -4.874 1.00 0.75 C ATOM 248 CD1 PHE A 20 9.111 1.635 -5.852 1.00 1.08 C ATOM 249 CD2 PHE A 20 6.848 1.510 -5.075 1.00 0.96 C ATOM 250 CE1 PHE A 20 8.675 2.227 -7.025 1.00 1.26 C ATOM 251 CE2 PHE A 20 6.413 2.102 -6.248 1.00 1.17 C ATOM 252 CZ PHE A 20 7.326 2.459 -7.223 1.00 1.19 C ATOM 0 H PHE A 20 10.906 -0.280 -2.943 1.00 0.63 H new ATOM 0 HA PHE A 20 9.876 2.400 -3.387 1.00 0.61 H new ATOM 0 HB2 PHE A 20 9.080 -0.354 -3.821 1.00 0.62 H new ATOM 0 HB3 PHE A 20 7.819 0.479 -2.934 1.00 0.62 H new ATOM 0 HD1 PHE A 20 10.165 1.453 -5.699 1.00 1.08 H new ATOM 0 HD2 PHE A 20 6.133 1.231 -4.315 1.00 0.96 H new ATOM 0 HE1 PHE A 20 9.388 2.508 -7.786 1.00 1.26 H new ATOM 0 HE2 PHE A 20 5.360 2.285 -6.402 1.00 1.17 H new ATOM 0 HZ PHE A 20 6.986 2.919 -8.139 1.00 1.19 H new ATOM 262 N HIS A 21 9.373 0.748 -0.577 1.00 0.53 N ATOM 263 CA HIS A 21 8.961 0.887 0.815 1.00 0.57 C ATOM 264 C HIS A 21 9.580 2.128 1.443 1.00 0.69 C ATOM 265 O HIS A 21 8.883 3.103 1.728 1.00 1.03 O ATOM 266 CB HIS A 21 9.371 -0.352 1.600 1.00 0.54 C ATOM 267 CG HIS A 21 8.621 -1.578 1.185 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.407 -2.648 2.014 1.00 0.48 N ATOM 269 CD2 HIS A 21 8.017 -1.915 0.016 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.718 -3.585 1.404 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.462 -3.171 0.174 1.00 0.42 N ATOM 0 H HIS A 21 9.745 -0.172 -0.815 1.00 0.53 H new ATOM 0 HA HIS A 21 7.877 0.993 0.845 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.439 -0.523 1.467 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.206 -0.174 2.663 1.00 0.54 H new ATOM 0 HD2 HIS A 21 7.977 -1.310 -0.877 1.00 0.44 H new ATOM 0 HE1 HIS A 21 7.414 -4.529 1.832 1.00 0.45 H new ATOM 0 HE2 HIS A 21 6.944 -3.689 -0.536 1.00 0.42 H new ATOM 279 N ARG A 22 10.892 2.089 1.659 1.00 0.68 N ATOM 280 CA ARG A 22 11.605 3.213 2.258 1.00 0.80 C ATOM 281 C ARG A 22 11.249 4.513 1.549 1.00 0.81 C ATOM 282 O ARG A 22 11.150 5.568 2.176 1.00 0.92 O ATOM 283 CB ARG A 22 13.110 2.975 2.185 1.00 0.93 C ATOM 284 CG ARG A 22 13.690 2.624 3.552 1.00 1.64 C ATOM 285 CD ARG A 22 15.212 2.520 3.508 1.00 2.14 C ATOM 286 NE ARG A 22 15.625 1.122 3.505 1.00 2.73 N ATOM 287 CZ ARG A 22 16.903 0.770 3.399 1.00 3.33 C ATOM 288 NH1 ARG A 22 17.858 1.657 3.643 1.00 3.95 N ATOM 289 NH2 ARG A 22 17.225 -0.467 3.046 1.00 3.72 N ATOM 0 H ARG A 22 11.483 1.291 1.428 1.00 0.68 H new ATOM 0 HA ARG A 22 11.306 3.295 3.303 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.318 2.168 1.483 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.602 3.868 1.799 1.00 0.93 H new ATOM 0 HG2 ARG A 22 13.398 3.383 4.277 1.00 1.64 H new ATOM 0 HG3 ARG A 22 13.270 1.678 3.894 1.00 1.64 H new ATOM 0 HD2 ARG A 22 15.592 3.020 2.617 1.00 2.14 H new ATOM 0 HD3 ARG A 22 15.643 3.032 4.369 1.00 2.14 H new ATOM 0 HE ARG A 22 14.915 0.394 3.586 1.00 2.73 H new ATOM 0 HH11 ARG A 22 17.612 2.610 3.912 1.00 3.95 H new ATOM 0 HH12 ARG A 22 18.838 1.387 3.562 1.00 3.95 H new ATOM 0 HH21 ARG A 22 16.492 -1.150 2.855 1.00 3.72 H new ATOM 0 HH22 ARG A 22 18.206 -0.735 2.965 1.00 3.72 H new ATOM 303 N HIS A 23 11.052 4.430 0.237 1.00 0.90 N ATOM 304 CA HIS A 23 10.701 5.598 -0.562 1.00 0.98 C ATOM 305 C HIS A 23 9.280 6.046 -0.248 1.00 0.96 C ATOM 306 O HIS A 23 8.960 7.232 -0.328 1.00 1.12 O ATOM 307 CB HIS A 23 10.819 5.267 -2.048 1.00 1.02 C ATOM 308 CG HIS A 23 12.034 5.863 -2.686 1.00 1.30 C ATOM 309 ND1 HIS A 23 12.474 7.134 -2.425 1.00 1.83 N ATOM 310 CD2 HIS A 23 12.919 5.365 -3.587 1.00 1.56 C ATOM 311 CE1 HIS A 23 13.556 7.409 -3.114 1.00 2.07 C ATOM 312 NE2 HIS A 23 13.861 6.346 -3.840 1.00 1.86 N ATOM 0 H HIS A 23 11.130 3.564 -0.296 1.00 0.90 H new ATOM 0 HA HIS A 23 11.389 6.407 -0.317 1.00 0.98 H new ATOM 0 HB2 HIS A 23 10.844 4.184 -2.172 1.00 1.02 H new ATOM 0 HB3 HIS A 23 9.930 5.627 -2.566 1.00 1.02 H new ATOM 0 HD2 HIS A 23 12.892 4.379 -4.027 1.00 1.56 H new ATOM 0 HE1 HIS A 23 14.102 8.340 -3.092 1.00 2.07 H new ATOM 0 HE2 HIS A 23 14.654 6.264 -4.476 1.00 1.86 H new ATOM 320 N LEU A 24 8.432 5.087 0.107 1.00 0.86 N ATOM 321 CA LEU A 24 7.042 5.373 0.433 1.00 0.87 C ATOM 322 C LEU A 24 6.918 5.861 1.871 1.00 0.97 C ATOM 323 O LEU A 24 6.418 6.959 2.121 1.00 1.16 O ATOM 324 CB LEU A 24 6.198 4.120 0.231 1.00 0.73 C ATOM 325 CG LEU A 24 5.899 3.887 -1.248 1.00 0.76 C ATOM 326 CD1 LEU A 24 6.051 2.412 -1.606 1.00 0.72 C ATOM 327 CD2 LEU A 24 4.503 4.392 -1.597 1.00 1.25 C ATOM 0 H LEU A 24 8.685 4.101 0.176 1.00 0.86 H new ATOM 0 HA LEU A 24 6.682 6.160 -0.229 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.722 3.256 0.639 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.263 4.216 0.783 1.00 0.73 H new ATOM 0 HG LEU A 24 6.622 4.451 -1.837 1.00 0.76 H new ATOM 0 HD11 LEU A 24 5.833 2.270 -2.665 1.00 0.72 H new ATOM 0 HD12 LEU A 24 7.072 2.091 -1.400 1.00 0.72 H new ATOM 0 HD13 LEU A 24 5.357 1.820 -1.010 1.00 0.72 H new ATOM 0 HD21 LEU A 24 4.307 4.218 -2.655 1.00 1.25 H new ATOM 0 HD22 LEU A 24 3.763 3.860 -0.999 1.00 1.25 H new ATOM 0 HD23 LEU A 24 4.439 5.460 -1.387 1.00 1.25 H new ATOM 339 N ILE A 25 7.378 5.045 2.813 1.00 0.92 N ATOM 340 CA ILE A 25 7.318 5.400 4.226 1.00 1.10 C ATOM 341 C ILE A 25 8.189 6.619 4.506 1.00 1.41 C ATOM 342 O ILE A 25 7.948 7.359 5.461 1.00 1.91 O ATOM 343 CB ILE A 25 7.777 4.224 5.084 1.00 0.94 C ATOM 344 CG1 ILE A 25 9.234 3.873 4.788 1.00 0.90 C ATOM 345 CG2 ILE A 25 6.881 3.011 4.864 1.00 1.06 C ATOM 346 CD1 ILE A 25 9.893 3.173 5.973 1.00 0.91 C ATOM 0 H ILE A 25 7.796 4.134 2.624 1.00 0.92 H new ATOM 0 HA ILE A 25 6.286 5.642 4.478 1.00 1.10 H new ATOM 0 HB ILE A 25 7.701 4.521 6.130 1.00 0.94 H new ATOM 0 HG12 ILE A 25 9.283 3.228 3.910 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.786 4.781 4.548 1.00 0.90 H new ATOM 0 HG21 ILE A 25 7.227 2.185 5.486 1.00 1.06 H new ATOM 0 HG22 ILE A 25 5.855 3.263 5.133 1.00 1.06 H new ATOM 0 HG23 ILE A 25 6.919 2.716 3.815 1.00 1.06 H new ATOM 0 HD11 ILE A 25 10.929 2.938 5.727 1.00 0.91 H new ATOM 0 HD12 ILE A 25 9.867 3.829 6.843 1.00 0.91 H new ATOM 0 HD13 ILE A 25 9.355 2.252 6.196 1.00 0.91 H new ATOM 358 N GLY A 26 9.201 6.825 3.669 1.00 1.49 N ATOM 359 CA GLY A 26 10.108 7.957 3.825 1.00 1.87 C ATOM 360 C GLY A 26 11.092 7.714 4.962 1.00 1.82 C ATOM 361 O GLY A 26 12.092 7.017 4.792 1.00 2.29 O ATOM 0 H GLY A 26 9.414 6.222 2.875 1.00 1.49 H new ATOM 0 HA2 GLY A 26 10.654 8.121 2.896 1.00 1.87 H new ATOM 0 HA3 GLY A 26 9.535 8.863 4.023 1.00 1.87 H new ATOM 365 N LYS A 27 10.800 8.293 6.121 1.00 1.86 N ATOM 366 CA LYS A 27 11.657 8.142 7.291 1.00 1.91 C ATOM 367 C LYS A 27 11.053 7.142 8.268 1.00 1.62 C ATOM 368 O LYS A 27 11.657 6.114 8.574 1.00 2.38 O ATOM 369 CB LYS A 27 11.845 9.491 7.979 1.00 2.21 C ATOM 370 CG LYS A 27 12.588 10.479 7.084 1.00 2.65 C ATOM 371 CD LYS A 27 13.903 10.927 7.716 1.00 3.30 C ATOM 372 CE LYS A 27 14.930 9.798 7.737 1.00 3.80 C ATOM 373 NZ LYS A 27 16.308 10.320 7.951 1.00 4.51 N ATOM 0 H LYS A 27 9.975 8.872 6.276 1.00 1.86 H new ATOM 0 HA LYS A 27 12.628 7.769 6.964 1.00 1.91 H new ATOM 0 HB2 LYS A 27 10.872 9.902 8.247 1.00 2.21 H new ATOM 0 HB3 LYS A 27 12.399 9.353 8.908 1.00 2.21 H new ATOM 0 HG2 LYS A 27 12.787 10.017 6.117 1.00 2.65 H new ATOM 0 HG3 LYS A 27 11.958 11.349 6.898 1.00 2.65 H new ATOM 0 HD2 LYS A 27 14.304 11.774 7.160 1.00 3.30 H new ATOM 0 HD3 LYS A 27 13.719 11.272 8.734 1.00 3.30 H new ATOM 0 HE2 LYS A 27 14.680 9.092 8.529 1.00 3.80 H new ATOM 0 HE3 LYS A 27 14.889 9.250 6.796 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 16.982 9.528 7.960 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 16.554 10.975 7.182 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 16.352 10.822 8.861 1.00 4.51 H new ATOM 387 N SER A 28 9.855 7.449 8.755 1.00 1.28 N ATOM 388 CA SER A 28 9.164 6.578 9.699 1.00 1.60 C ATOM 389 C SER A 28 8.036 5.827 9.005 1.00 1.60 C ATOM 390 O SER A 28 7.882 4.618 9.180 1.00 2.28 O ATOM 391 CB SER A 28 8.604 7.401 10.854 1.00 1.99 C ATOM 392 OG SER A 28 9.178 8.701 10.856 1.00 2.57 O ATOM 0 H SER A 28 9.342 8.296 8.511 1.00 1.28 H new ATOM 0 HA SER A 28 9.879 5.853 10.088 1.00 1.60 H new ATOM 0 HB2 SER A 28 7.520 7.475 10.765 1.00 1.99 H new ATOM 0 HB3 SER A 28 8.813 6.902 11.800 1.00 1.99 H new ATOM 0 HG SER A 28 8.809 9.220 11.601 1.00 2.57 H new ATOM 398 N GLY A 29 7.248 6.551 8.216 1.00 1.21 N ATOM 399 CA GLY A 29 6.129 5.957 7.492 1.00 1.23 C ATOM 400 C GLY A 29 4.836 6.707 7.779 1.00 1.36 C ATOM 401 O GLY A 29 3.974 6.221 8.512 1.00 2.05 O ATOM 0 H GLY A 29 7.364 7.553 8.061 1.00 1.21 H new ATOM 0 HA2 GLY A 29 6.334 5.974 6.422 1.00 1.23 H new ATOM 0 HA3 GLY A 29 6.019 4.911 7.779 1.00 1.23 H new ATOM 405 N ALA A 30 4.705 7.896 7.198 1.00 1.00 N ATOM 406 CA ALA A 30 3.515 8.717 7.391 1.00 1.10 C ATOM 407 C ALA A 30 2.600 8.628 6.176 1.00 1.06 C ATOM 408 O ALA A 30 1.383 8.775 6.291 1.00 1.43 O ATOM 409 CB ALA A 30 3.916 10.170 7.632 1.00 1.27 C ATOM 0 H ALA A 30 5.409 8.312 6.589 1.00 1.00 H new ATOM 0 HA ALA A 30 2.976 8.344 8.262 1.00 1.10 H new ATOM 0 HB1 ALA A 30 3.021 10.776 7.775 1.00 1.27 H new ATOM 0 HB2 ALA A 30 4.542 10.232 8.522 1.00 1.27 H new ATOM 0 HB3 ALA A 30 4.472 10.542 6.771 1.00 1.27 H new ATOM 415 N ASN A 31 3.193 8.385 5.013 1.00 0.73 N ATOM 416 CA ASN A 31 2.433 8.275 3.773 1.00 0.69 C ATOM 417 C ASN A 31 1.320 7.244 3.916 1.00 0.60 C ATOM 418 O ASN A 31 0.188 7.478 3.496 1.00 0.58 O ATOM 419 CB ASN A 31 3.360 7.881 2.626 1.00 0.71 C ATOM 420 CG ASN A 31 3.900 9.125 1.933 1.00 1.24 C ATOM 421 OD1 ASN A 31 3.171 10.092 1.710 1.00 1.91 O ATOM 422 ND2 ASN A 31 5.183 9.102 1.591 1.00 1.42 N ATOM 0 H ASN A 31 4.199 8.260 4.902 1.00 0.73 H new ATOM 0 HA ASN A 31 1.984 9.244 3.556 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.186 7.281 3.007 1.00 0.71 H new ATOM 0 HB3 ASN A 31 2.820 7.262 1.909 1.00 0.71 H new ATOM 0 HD21 ASN A 31 5.601 9.907 1.124 1.00 1.42 H new ATOM 0 HD22 ASN A 31 5.751 8.279 1.795 1.00 1.42 H new ATOM 429 N ILE A 32 1.650 6.103 4.512 1.00 0.58 N ATOM 430 CA ILE A 32 0.678 5.034 4.712 1.00 0.56 C ATOM 431 C ILE A 32 -0.583 5.575 5.377 1.00 0.52 C ATOM 432 O ILE A 32 -1.698 5.206 5.008 1.00 0.51 O ATOM 433 CB ILE A 32 1.284 3.930 5.571 1.00 0.63 C ATOM 434 CG1 ILE A 32 1.838 4.505 6.872 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.374 3.187 4.807 1.00 0.69 C ATOM 436 CD1 ILE A 32 2.503 3.426 7.720 1.00 1.07 C ATOM 0 H ILE A 32 2.584 5.895 4.865 1.00 0.58 H new ATOM 0 HA ILE A 32 0.411 4.624 3.738 1.00 0.56 H new ATOM 0 HB ILE A 32 0.495 3.219 5.817 1.00 0.63 H new ATOM 0 HG12 ILE A 32 2.561 5.289 6.646 1.00 0.70 H new ATOM 0 HG13 ILE A 32 1.031 4.969 7.439 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.792 2.404 5.439 1.00 0.69 H new ATOM 0 HG22 ILE A 32 1.948 2.740 3.909 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.162 3.886 4.526 1.00 0.69 H new ATOM 0 HD11 ILE A 32 2.886 3.870 8.639 1.00 1.07 H new ATOM 0 HD12 ILE A 32 1.773 2.655 7.967 1.00 1.07 H new ATOM 0 HD13 ILE A 32 3.326 2.980 7.162 1.00 1.07 H new ATOM 448 N ASN A 33 -0.397 6.453 6.358 1.00 0.56 N ATOM 449 CA ASN A 33 -1.520 7.049 7.072 1.00 0.59 C ATOM 450 C ASN A 33 -2.224 8.074 6.192 1.00 0.54 C ATOM 451 O ASN A 33 -3.444 8.228 6.255 1.00 0.55 O ATOM 452 CB ASN A 33 -1.029 7.715 8.353 1.00 0.71 C ATOM 453 CG ASN A 33 -1.953 7.371 9.514 1.00 0.97 C ATOM 454 OD1 ASN A 33 -3.172 7.502 9.411 1.00 1.51 O ATOM 455 ND2 ASN A 33 -1.371 6.931 10.624 1.00 1.62 N ATOM 0 H ASN A 33 0.520 6.767 6.676 1.00 0.56 H new ATOM 0 HA ASN A 33 -2.228 6.261 7.328 1.00 0.59 H new ATOM 0 HB2 ASN A 33 -0.014 7.385 8.577 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.991 8.796 8.218 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -1.939 6.686 11.435 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -0.356 6.838 10.665 1.00 1.62 H new ATOM 462 N ARG A 34 -1.447 8.771 5.370 1.00 0.55 N ATOM 463 CA ARG A 34 -1.992 9.782 4.472 1.00 0.56 C ATOM 464 C ARG A 34 -3.099 9.188 3.610 1.00 0.48 C ATOM 465 O ARG A 34 -4.236 9.658 3.632 1.00 0.48 O ATOM 466 CB ARG A 34 -0.883 10.340 3.585 1.00 0.65 C ATOM 467 CG ARG A 34 -0.585 11.800 3.911 1.00 0.89 C ATOM 468 CD ARG A 34 0.819 12.200 3.466 1.00 1.22 C ATOM 469 NE ARG A 34 0.881 13.635 3.211 1.00 1.69 N ATOM 470 CZ ARG A 34 2.012 14.319 3.347 1.00 2.27 C ATOM 471 NH1 ARG A 34 2.740 14.191 4.448 1.00 2.90 N ATOM 472 NH2 ARG A 34 2.415 15.135 2.382 1.00 2.78 N ATOM 0 H ARG A 34 -0.436 8.654 5.307 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.413 10.590 5.070 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.021 9.746 3.715 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -1.175 10.252 2.538 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -1.319 12.440 3.421 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -0.687 11.962 4.984 1.00 0.89 H new ATOM 0 HD2 ARG A 34 1.542 11.929 4.235 1.00 1.22 H new ATOM 0 HD3 ARG A 34 1.092 11.652 2.564 1.00 1.22 H new ATOM 0 HE ARG A 34 0.035 14.126 2.921 1.00 1.69 H new ATOM 0 HH11 ARG A 34 2.432 13.566 5.193 1.00 2.90 H new ATOM 0 HH12 ARG A 34 3.608 14.717 4.550 1.00 2.90 H new ATOM 0 HH21 ARG A 34 1.857 15.238 1.535 1.00 2.78 H new ATOM 0 HH22 ARG A 34 3.283 15.660 2.487 1.00 2.78 H new ATOM 486 N ILE A 35 -2.759 8.149 2.854 1.00 0.45 N ATOM 487 CA ILE A 35 -3.724 7.484 1.986 1.00 0.40 C ATOM 488 C ILE A 35 -4.780 6.770 2.823 1.00 0.34 C ATOM 489 O ILE A 35 -5.978 6.899 2.574 1.00 0.34 O ATOM 490 CB ILE A 35 -3.003 6.489 1.075 1.00 0.41 C ATOM 491 CG1 ILE A 35 -2.028 7.218 0.153 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.996 5.670 0.255 1.00 0.40 C ATOM 493 CD1 ILE A 35 -0.657 7.387 0.803 1.00 1.29 C ATOM 0 H ILE A 35 -1.821 7.749 2.825 1.00 0.45 H new ATOM 0 HA ILE A 35 -4.221 8.231 1.367 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.441 5.802 1.708 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -1.923 6.662 -0.779 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -2.432 8.197 -0.104 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -3.453 4.972 -0.382 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.651 5.114 0.926 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -4.594 6.338 -0.365 1.00 0.40 H new ATOM 0 HD11 ILE A 35 0.009 7.910 0.117 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -0.759 7.965 1.721 1.00 1.29 H new ATOM 0 HD13 ILE A 35 -0.241 6.407 1.036 1.00 1.29 H new ATOM 505 N LYS A 36 -4.323 6.019 3.823 1.00 0.35 N ATOM 506 CA LYS A 36 -5.213 5.277 4.715 1.00 0.36 C ATOM 507 C LYS A 36 -6.414 6.126 5.125 1.00 0.39 C ATOM 508 O LYS A 36 -7.503 5.603 5.361 1.00 0.51 O ATOM 509 CB LYS A 36 -4.442 4.836 5.958 1.00 0.44 C ATOM 510 CG LYS A 36 -5.331 4.085 6.947 1.00 1.09 C ATOM 511 CD LYS A 36 -4.960 4.406 8.392 1.00 1.41 C ATOM 512 CE LYS A 36 -6.088 4.045 9.354 1.00 2.17 C ATOM 513 NZ LYS A 36 -5.580 3.881 10.745 1.00 2.76 N ATOM 0 H LYS A 36 -3.332 5.908 4.037 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.582 4.401 4.181 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -3.610 4.197 5.661 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -4.013 5.710 6.448 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -6.374 4.348 6.772 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -5.240 3.012 6.777 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -4.058 3.860 8.667 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -4.730 5.468 8.482 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -6.851 4.823 9.332 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -6.566 3.121 9.028 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -6.369 3.636 11.376 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -4.870 3.122 10.768 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -5.146 4.771 11.063 1.00 2.76 H new ATOM 527 N ASP A 37 -6.208 7.436 5.206 1.00 0.40 N ATOM 528 CA ASP A 37 -7.275 8.355 5.586 1.00 0.45 C ATOM 529 C ASP A 37 -7.872 9.018 4.354 1.00 0.44 C ATOM 530 O ASP A 37 -9.091 9.044 4.179 1.00 0.60 O ATOM 531 CB ASP A 37 -6.734 9.419 6.537 1.00 0.51 C ATOM 532 CG ASP A 37 -7.682 9.608 7.714 1.00 0.82 C ATOM 533 OD1 ASP A 37 -8.803 10.113 7.500 1.00 1.37 O ATOM 534 OD2 ASP A 37 -7.301 9.248 8.848 1.00 1.56 O ATOM 0 H ASP A 37 -5.313 7.885 5.014 1.00 0.40 H new ATOM 0 HA ASP A 37 -8.057 7.788 6.090 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.748 9.126 6.899 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -6.611 10.363 6.005 1.00 0.51 H new ATOM 539 N GLN A 38 -7.009 9.557 3.502 1.00 0.41 N ATOM 540 CA GLN A 38 -7.449 10.225 2.283 1.00 0.46 C ATOM 541 C GLN A 38 -8.294 9.287 1.429 1.00 0.42 C ATOM 542 O GLN A 38 -9.358 9.669 0.940 1.00 0.68 O ATOM 543 CB GLN A 38 -6.240 10.706 1.487 1.00 0.54 C ATOM 544 CG GLN A 38 -6.655 11.351 0.166 1.00 0.65 C ATOM 545 CD GLN A 38 -7.674 12.457 0.412 1.00 1.05 C ATOM 546 OE1 GLN A 38 -7.365 13.474 1.032 1.00 1.65 O ATOM 547 NE2 GLN A 38 -8.893 12.257 -0.076 1.00 1.66 N ATOM 0 H GLN A 38 -5.998 9.545 3.633 1.00 0.41 H new ATOM 0 HA GLN A 38 -8.060 11.083 2.562 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -5.675 11.424 2.081 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.576 9.864 1.289 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.779 11.760 -0.337 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -7.080 10.597 -0.497 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -9.104 11.398 -0.584 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -9.618 12.962 0.057 1.00 1.66 H new ATOM 556 N TYR A 39 -7.819 8.057 1.252 1.00 0.34 N ATOM 557 CA TYR A 39 -8.537 7.068 0.454 1.00 0.34 C ATOM 558 C TYR A 39 -9.332 6.107 1.337 1.00 0.30 C ATOM 559 O TYR A 39 -9.911 5.141 0.838 1.00 0.32 O ATOM 560 CB TYR A 39 -7.556 6.274 -0.404 1.00 0.39 C ATOM 561 CG TYR A 39 -6.781 7.132 -1.372 1.00 0.46 C ATOM 562 CD1 TYR A 39 -5.883 8.074 -0.899 1.00 0.53 C ATOM 563 CD2 TYR A 39 -6.965 6.986 -2.736 1.00 0.64 C ATOM 564 CE1 TYR A 39 -5.172 8.864 -1.785 1.00 0.62 C ATOM 565 CE2 TYR A 39 -6.253 7.775 -3.622 1.00 0.73 C ATOM 566 CZ TYR A 39 -5.357 8.701 -3.150 1.00 0.66 C ATOM 567 OH TYR A 39 -4.653 9.495 -4.025 1.00 0.77 O ATOM 0 H TYR A 39 -6.942 7.722 1.650 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.237 7.605 -0.186 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.856 5.750 0.247 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.104 5.514 -0.961 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.737 8.192 0.165 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -7.666 6.254 -3.110 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -4.477 9.603 -1.416 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -6.403 7.662 -4.686 1.00 0.73 H new ATOM 0 HH TYR A 39 -4.892 9.259 -4.946 1.00 0.77 H new ATOM 577 N LYS A 40 -9.362 6.363 2.646 1.00 0.28 N ATOM 578 CA LYS A 40 -10.093 5.503 3.573 1.00 0.31 C ATOM 579 C LYS A 40 -9.723 4.041 3.347 1.00 0.29 C ATOM 580 O LYS A 40 -10.595 3.182 3.212 1.00 0.39 O ATOM 581 CB LYS A 40 -11.595 5.693 3.387 1.00 0.38 C ATOM 582 CG LYS A 40 -11.999 7.157 3.541 1.00 0.86 C ATOM 583 CD LYS A 40 -13.256 7.308 4.391 1.00 1.29 C ATOM 584 CE LYS A 40 -13.495 8.762 4.788 1.00 1.88 C ATOM 585 NZ LYS A 40 -13.621 8.907 6.265 1.00 2.56 N ATOM 0 H LYS A 40 -8.891 7.154 3.084 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.821 5.779 4.592 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.888 5.336 2.400 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -12.132 5.088 4.117 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -11.181 7.714 3.998 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -12.171 7.593 2.557 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -14.117 6.935 3.837 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -13.165 6.696 5.288 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -12.671 9.379 4.429 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -14.401 9.128 4.306 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -13.783 9.906 6.503 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -14.422 8.336 6.603 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -12.746 8.580 6.722 1.00 2.56 H new ATOM 599 N VAL A 41 -8.424 3.769 3.299 1.00 0.23 N ATOM 600 CA VAL A 41 -7.928 2.415 3.079 1.00 0.23 C ATOM 601 C VAL A 41 -6.946 2.022 4.177 1.00 0.27 C ATOM 602 O VAL A 41 -6.771 2.754 5.149 1.00 0.33 O ATOM 603 CB VAL A 41 -7.250 2.341 1.715 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.290 2.343 0.600 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.274 3.500 1.537 1.00 0.23 C ATOM 0 H VAL A 41 -7.692 4.471 3.410 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.766 1.719 3.105 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.689 1.408 1.661 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.788 2.290 -0.366 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -8.948 1.482 0.715 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.878 3.259 0.653 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.800 3.430 0.558 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.813 4.444 1.612 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.510 3.455 2.313 1.00 0.23 H new ATOM 615 N SER A 42 -6.309 0.865 4.022 1.00 0.29 N ATOM 616 CA SER A 42 -5.346 0.383 5.006 1.00 0.34 C ATOM 617 C SER A 42 -4.064 -0.074 4.321 1.00 0.30 C ATOM 618 O SER A 42 -3.917 -1.247 3.978 1.00 0.36 O ATOM 619 CB SER A 42 -5.947 -0.770 5.804 1.00 0.43 C ATOM 620 OG SER A 42 -5.729 -0.574 7.194 1.00 0.93 O ATOM 0 H SER A 42 -6.443 0.244 3.224 1.00 0.29 H new ATOM 0 HA SER A 42 -5.106 1.202 5.684 1.00 0.34 H new ATOM 0 HB2 SER A 42 -7.016 -0.842 5.603 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.499 -1.712 5.488 1.00 0.43 H new ATOM 0 HG SER A 42 -6.121 -1.320 7.695 1.00 0.93 H new ATOM 626 N VAL A 43 -3.138 0.859 4.124 1.00 0.33 N ATOM 627 CA VAL A 43 -1.865 0.556 3.479 1.00 0.34 C ATOM 628 C VAL A 43 -0.839 0.107 4.511 1.00 0.35 C ATOM 629 O VAL A 43 -0.733 0.693 5.589 1.00 0.55 O ATOM 630 CB VAL A 43 -1.354 1.787 2.737 1.00 0.49 C ATOM 631 CG1 VAL A 43 -0.028 1.485 2.045 1.00 0.54 C ATOM 632 CG2 VAL A 43 -2.388 2.279 1.730 1.00 1.25 C ATOM 0 H VAL A 43 -3.246 1.834 4.403 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.018 -0.254 2.766 1.00 0.34 H new ATOM 0 HB VAL A 43 -1.187 2.580 3.466 1.00 0.49 H new ATOM 0 HG11 VAL A 43 0.320 2.375 1.521 1.00 0.54 H new ATOM 0 HG12 VAL A 43 0.712 1.189 2.789 1.00 0.54 H new ATOM 0 HG13 VAL A 43 -0.167 0.674 1.330 1.00 0.54 H new ATOM 0 HG21 VAL A 43 -2.003 3.157 1.212 1.00 1.25 H new ATOM 0 HG22 VAL A 43 -2.593 1.491 1.005 1.00 1.25 H new ATOM 0 HG23 VAL A 43 -3.309 2.540 2.252 1.00 1.25 H new ATOM 642 N ARG A 44 -0.084 -0.936 4.180 1.00 0.31 N ATOM 643 CA ARG A 44 0.934 -1.462 5.084 1.00 0.42 C ATOM 644 C ARG A 44 2.199 -1.837 4.319 1.00 0.40 C ATOM 645 O ARG A 44 2.139 -2.522 3.298 1.00 0.41 O ATOM 646 CB ARG A 44 0.392 -2.684 5.821 1.00 0.52 C ATOM 647 CG ARG A 44 -0.807 -2.327 6.695 1.00 0.78 C ATOM 648 CD ARG A 44 -1.652 -3.556 7.020 1.00 1.05 C ATOM 649 NE ARG A 44 -2.201 -3.453 8.366 1.00 1.31 N ATOM 650 CZ ARG A 44 -2.832 -4.471 8.943 1.00 1.74 C ATOM 651 NH1 ARG A 44 -4.010 -4.870 8.483 1.00 2.28 N ATOM 652 NH2 ARG A 44 -2.285 -5.092 9.979 1.00 2.27 N ATOM 0 H ARG A 44 -0.158 -1.434 3.293 1.00 0.31 H new ATOM 0 HA ARG A 44 1.187 -0.686 5.806 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.102 -3.446 5.098 1.00 0.52 H new ATOM 0 HB3 ARG A 44 1.179 -3.115 6.440 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -0.459 -1.869 7.621 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -1.422 -1.586 6.184 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -2.462 -3.650 6.296 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -1.043 -4.456 6.936 1.00 1.05 H new ATOM 0 HE ARG A 44 -2.098 -2.577 8.879 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -4.433 -4.396 7.685 1.00 2.28 H new ATOM 0 HH12 ARG A 44 -4.493 -5.651 8.927 1.00 2.28 H new ATOM 0 HH21 ARG A 44 -1.378 -4.789 10.335 1.00 2.27 H new ATOM 0 HH22 ARG A 44 -2.771 -5.873 10.420 1.00 2.27 H new ATOM 666 N ILE A 45 3.343 -1.387 4.825 1.00 0.46 N ATOM 667 CA ILE A 45 4.630 -1.674 4.200 1.00 0.47 C ATOM 668 C ILE A 45 5.347 -2.789 4.966 1.00 0.53 C ATOM 669 O ILE A 45 5.869 -2.563 6.058 1.00 0.64 O ATOM 670 CB ILE A 45 5.479 -0.395 4.169 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.927 0.576 3.126 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.957 -0.686 3.888 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.201 0.090 1.703 1.00 0.56 C ATOM 0 H ILE A 45 3.405 -0.819 5.670 1.00 0.46 H new ATOM 0 HA ILE A 45 4.473 -2.014 3.176 1.00 0.47 H new ATOM 0 HB ILE A 45 5.420 0.058 5.158 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.853 0.694 3.270 1.00 0.59 H new ATOM 0 HG13 ILE A 45 5.377 1.558 3.268 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.516 0.250 3.876 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.354 -1.336 4.667 1.00 0.60 H new ATOM 0 HG23 ILE A 45 7.053 -1.179 2.920 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.794 0.806 0.989 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.276 -0.003 1.551 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.728 -0.881 1.553 1.00 0.56 H new ATOM 685 N PRO A 46 5.389 -4.009 4.400 1.00 0.48 N ATOM 686 CA PRO A 46 6.053 -5.149 5.043 1.00 0.58 C ATOM 687 C PRO A 46 7.576 -5.031 4.975 1.00 0.61 C ATOM 688 O PRO A 46 8.163 -5.115 3.895 1.00 0.56 O ATOM 689 CB PRO A 46 5.555 -6.353 4.249 1.00 0.57 C ATOM 690 CG PRO A 46 5.183 -5.815 2.908 1.00 0.47 C ATOM 691 CD PRO A 46 4.799 -4.371 3.098 1.00 0.41 C ATOM 0 HA PRO A 46 5.823 -5.218 6.106 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.329 -7.116 4.166 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.699 -6.819 4.737 1.00 0.57 H new ATOM 0 HG2 PRO A 46 6.018 -5.903 2.213 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.354 -6.381 2.483 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.190 -3.746 2.296 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.716 -4.244 3.102 1.00 0.41 H new ATOM 699 N PRO A 47 8.240 -4.831 6.127 1.00 0.74 N ATOM 700 CA PRO A 47 9.702 -4.701 6.178 1.00 0.81 C ATOM 701 C PRO A 47 10.407 -6.028 5.922 1.00 0.87 C ATOM 702 O PRO A 47 9.771 -7.020 5.563 1.00 1.53 O ATOM 703 CB PRO A 47 9.971 -4.194 7.593 1.00 0.98 C ATOM 704 CG PRO A 47 8.802 -4.647 8.399 1.00 1.03 C ATOM 705 CD PRO A 47 7.625 -4.718 7.462 1.00 0.85 C ATOM 0 HA PRO A 47 10.083 -4.032 5.406 1.00 0.81 H new ATOM 0 HB2 PRO A 47 10.902 -4.601 7.987 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.065 -3.108 7.611 1.00 0.98 H new ATOM 0 HG2 PRO A 47 8.997 -5.621 8.848 1.00 1.03 H new ATOM 0 HG3 PRO A 47 8.604 -3.953 9.216 1.00 1.03 H new ATOM 0 HD2 PRO A 47 6.990 -5.576 7.683 1.00 0.85 H new ATOM 0 HD3 PRO A 47 6.999 -3.829 7.539 1.00 0.85 H new ATOM 713 N ASP A 48 11.723 -6.040 6.109 1.00 1.32 N ATOM 714 CA ASP A 48 12.517 -7.245 5.897 1.00 1.46 C ATOM 715 C ASP A 48 12.424 -7.697 4.446 1.00 1.48 C ATOM 716 O ASP A 48 11.384 -7.548 3.805 1.00 2.18 O ATOM 717 CB ASP A 48 12.031 -8.357 6.821 1.00 2.16 C ATOM 718 CG ASP A 48 11.170 -9.349 6.047 1.00 2.56 C ATOM 719 OD1 ASP A 48 11.097 -9.232 4.806 1.00 3.03 O ATOM 720 OD2 ASP A 48 10.573 -10.242 6.684 1.00 3.01 O ATOM 0 H ASP A 48 12.263 -5.228 6.407 1.00 1.32 H new ATOM 0 HA ASP A 48 13.559 -7.020 6.125 1.00 1.46 H new ATOM 0 HB2 ASP A 48 12.885 -8.872 7.262 1.00 2.16 H new ATOM 0 HB3 ASP A 48 11.457 -7.931 7.644 1.00 2.16 H new ATOM 725 N SER A 49 13.519 -8.249 3.930 1.00 1.59 N ATOM 726 CA SER A 49 13.559 -8.720 2.550 1.00 2.11 C ATOM 727 C SER A 49 14.153 -10.121 2.474 1.00 1.90 C ATOM 728 O SER A 49 15.260 -10.364 2.953 1.00 2.33 O ATOM 729 CB SER A 49 14.386 -7.763 1.697 1.00 3.03 C ATOM 730 OG SER A 49 15.052 -6.815 2.517 1.00 3.81 O ATOM 0 H SER A 49 14.389 -8.381 4.446 1.00 1.59 H new ATOM 0 HA SER A 49 12.538 -8.755 2.170 1.00 2.11 H new ATOM 0 HB2 SER A 49 15.116 -8.325 1.114 1.00 3.03 H new ATOM 0 HB3 SER A 49 13.739 -7.248 0.987 1.00 3.03 H new ATOM 0 HG SER A 49 15.579 -6.210 1.955 1.00 3.81 H new ATOM 736 N GLU A 50 13.408 -11.038 1.865 1.00 1.92 N ATOM 737 CA GLU A 50 13.855 -12.419 1.717 1.00 2.27 C ATOM 738 C GLU A 50 14.139 -12.738 0.254 1.00 2.09 C ATOM 739 O GLU A 50 14.943 -13.618 -0.056 1.00 2.74 O ATOM 740 CB GLU A 50 12.794 -13.373 2.259 1.00 3.06 C ATOM 741 CG GLU A 50 11.492 -13.278 1.469 1.00 3.83 C ATOM 742 CD GLU A 50 11.485 -14.292 0.333 1.00 4.43 C ATOM 743 OE1 GLU A 50 12.138 -15.348 0.475 1.00 4.97 O ATOM 744 OE2 GLU A 50 10.828 -14.030 -0.696 1.00 4.75 O ATOM 0 H GLU A 50 12.489 -10.849 1.465 1.00 1.92 H new ATOM 0 HA GLU A 50 14.776 -12.546 2.286 1.00 2.27 H new ATOM 0 HB2 GLU A 50 13.170 -14.395 2.219 1.00 3.06 H new ATOM 0 HB3 GLU A 50 12.601 -13.145 3.307 1.00 3.06 H new ATOM 0 HG2 GLU A 50 10.644 -13.457 2.130 1.00 3.83 H new ATOM 0 HG3 GLU A 50 11.376 -12.271 1.067 1.00 3.83 H new ATOM 751 N LYS A 51 13.474 -12.015 -0.643 1.00 1.76 N ATOM 752 CA LYS A 51 13.652 -12.217 -2.077 1.00 1.77 C ATOM 753 C LYS A 51 12.872 -11.164 -2.857 1.00 1.55 C ATOM 754 O LYS A 51 13.457 -10.305 -3.517 1.00 2.20 O ATOM 755 CB LYS A 51 13.178 -13.612 -2.472 1.00 2.14 C ATOM 756 CG LYS A 51 14.185 -14.311 -3.383 1.00 2.60 C ATOM 757 CD LYS A 51 13.902 -15.807 -3.490 1.00 3.36 C ATOM 758 CE LYS A 51 14.649 -16.599 -2.419 1.00 4.12 C ATOM 759 NZ LYS A 51 14.148 -16.271 -1.055 1.00 4.81 N ATOM 0 H LYS A 51 12.806 -11.283 -0.401 1.00 1.76 H new ATOM 0 HA LYS A 51 14.711 -12.121 -2.315 1.00 1.77 H new ATOM 0 HB2 LYS A 51 13.021 -14.211 -1.575 1.00 2.14 H new ATOM 0 HB3 LYS A 51 12.216 -13.540 -2.980 1.00 2.14 H new ATOM 0 HG2 LYS A 51 14.151 -13.862 -4.376 1.00 2.60 H new ATOM 0 HG3 LYS A 51 15.193 -14.157 -2.998 1.00 2.60 H new ATOM 0 HD2 LYS A 51 12.831 -15.983 -3.392 1.00 3.36 H new ATOM 0 HD3 LYS A 51 14.195 -16.164 -4.478 1.00 3.36 H new ATOM 0 HE2 LYS A 51 14.531 -17.667 -2.605 1.00 4.12 H new ATOM 0 HE3 LYS A 51 15.715 -16.380 -2.479 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 14.424 -17.024 -0.393 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 14.558 -15.368 -0.742 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 13.111 -16.191 -1.076 1.00 4.81 H new ATOM 773 N SER A 52 11.548 -11.233 -2.769 1.00 1.19 N ATOM 774 CA SER A 52 10.682 -10.284 -3.457 1.00 1.04 C ATOM 775 C SER A 52 9.866 -9.488 -2.447 1.00 0.92 C ATOM 776 O SER A 52 9.764 -9.872 -1.282 1.00 1.19 O ATOM 777 CB SER A 52 9.749 -11.020 -4.414 1.00 1.25 C ATOM 778 OG SER A 52 8.989 -11.995 -3.719 1.00 2.03 O ATOM 0 H SER A 52 11.050 -11.939 -2.226 1.00 1.19 H new ATOM 0 HA SER A 52 11.305 -9.596 -4.029 1.00 1.04 H new ATOM 0 HB2 SER A 52 9.081 -10.308 -4.899 1.00 1.25 H new ATOM 0 HB3 SER A 52 10.331 -11.498 -5.202 1.00 1.25 H new ATOM 0 HG SER A 52 8.395 -12.456 -4.348 1.00 2.03 H new ATOM 784 N ASN A 53 9.292 -8.378 -2.893 1.00 0.68 N ATOM 785 CA ASN A 53 8.491 -7.529 -2.018 1.00 0.61 C ATOM 786 C ASN A 53 7.018 -7.591 -2.401 1.00 0.59 C ATOM 787 O ASN A 53 6.675 -7.719 -3.576 1.00 0.99 O ATOM 788 CB ASN A 53 8.987 -6.089 -2.090 1.00 0.60 C ATOM 789 CG ASN A 53 9.770 -5.737 -0.832 1.00 0.89 C ATOM 790 OD1 ASN A 53 9.390 -6.116 0.276 1.00 1.68 O ATOM 791 ND2 ASN A 53 10.869 -5.012 -1.003 1.00 1.28 N ATOM 0 H ASN A 53 9.365 -8.044 -3.854 1.00 0.68 H new ATOM 0 HA ASN A 53 8.596 -7.895 -0.997 1.00 0.61 H new ATOM 0 HB2 ASN A 53 9.619 -5.958 -2.969 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.141 -5.411 -2.202 1.00 0.60 H new ATOM 0 HD21 ASN A 53 11.436 -4.747 -0.197 1.00 1.28 H new ATOM 0 HD22 ASN A 53 11.146 -4.720 -1.940 1.00 1.28 H new ATOM 798 N LEU A 54 6.153 -7.500 -1.397 1.00 0.55 N ATOM 799 CA LEU A 54 4.711 -7.542 -1.614 1.00 0.51 C ATOM 800 C LEU A 54 3.996 -6.711 -0.558 1.00 0.44 C ATOM 801 O LEU A 54 3.744 -7.185 0.551 1.00 0.57 O ATOM 802 CB LEU A 54 4.219 -8.986 -1.558 1.00 0.65 C ATOM 803 CG LEU A 54 3.748 -9.475 -2.925 1.00 0.82 C ATOM 804 CD1 LEU A 54 3.379 -10.955 -2.869 1.00 1.49 C ATOM 805 CD2 LEU A 54 2.567 -8.645 -3.420 1.00 1.49 C ATOM 0 H LEU A 54 6.427 -7.396 -0.420 1.00 0.55 H new ATOM 0 HA LEU A 54 4.491 -7.127 -2.598 1.00 0.51 H new ATOM 0 HB2 LEU A 54 5.021 -9.630 -1.198 1.00 0.65 H new ATOM 0 HB3 LEU A 54 3.401 -9.064 -0.842 1.00 0.65 H new ATOM 0 HG LEU A 54 4.569 -9.353 -3.631 1.00 0.82 H new ATOM 0 HD11 LEU A 54 3.046 -11.284 -3.853 1.00 1.49 H new ATOM 0 HD12 LEU A 54 4.251 -11.536 -2.568 1.00 1.49 H new ATOM 0 HD13 LEU A 54 2.577 -11.103 -2.146 1.00 1.49 H new ATOM 0 HD21 LEU A 54 2.248 -9.011 -4.396 1.00 1.49 H new ATOM 0 HD22 LEU A 54 1.741 -8.729 -2.713 1.00 1.49 H new ATOM 0 HD23 LEU A 54 2.867 -7.600 -3.505 1.00 1.49 H new ATOM 817 N ILE A 55 3.671 -5.469 -0.903 1.00 0.31 N ATOM 818 CA ILE A 55 2.985 -4.576 0.026 1.00 0.26 C ATOM 819 C ILE A 55 1.557 -5.050 0.260 1.00 0.27 C ATOM 820 O ILE A 55 0.911 -5.577 -0.647 1.00 0.34 O ATOM 821 CB ILE A 55 2.980 -3.152 -0.520 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.395 -2.718 -0.894 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.372 -2.187 0.492 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.421 -1.287 -1.426 1.00 0.35 C ATOM 0 H ILE A 55 3.870 -5.059 -1.815 1.00 0.31 H new ATOM 0 HA ILE A 55 3.518 -4.588 0.977 1.00 0.26 H new ATOM 0 HB ILE A 55 2.365 -3.133 -1.419 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.043 -2.794 -0.020 1.00 0.31 H new ATOM 0 HG13 ILE A 55 4.797 -3.395 -1.648 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.379 -1.177 0.081 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.346 -2.484 0.707 1.00 0.31 H new ATOM 0 HG23 ILE A 55 2.956 -2.209 1.412 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.444 -1.013 -1.682 1.00 0.35 H new ATOM 0 HD12 ILE A 55 3.794 -1.218 -2.315 1.00 0.35 H new ATOM 0 HD13 ILE A 55 4.044 -0.608 -0.662 1.00 0.35 H new ATOM 836 N ARG A 56 1.072 -4.864 1.483 1.00 0.29 N ATOM 837 CA ARG A 56 -0.279 -5.280 1.843 1.00 0.32 C ATOM 838 C ARG A 56 -1.233 -4.092 1.846 1.00 0.29 C ATOM 839 O ARG A 56 -1.173 -3.235 2.727 1.00 0.42 O ATOM 840 CB ARG A 56 -0.271 -5.940 3.218 1.00 0.42 C ATOM 841 CG ARG A 56 0.490 -7.261 3.200 1.00 0.55 C ATOM 842 CD ARG A 56 1.517 -7.331 4.326 1.00 0.84 C ATOM 843 NE ARG A 56 2.453 -8.426 4.095 1.00 1.44 N ATOM 844 CZ ARG A 56 2.947 -9.145 5.098 1.00 1.77 C ATOM 845 NH1 ARG A 56 2.155 -9.543 6.083 1.00 2.33 N ATOM 846 NH2 ARG A 56 4.234 -9.463 5.117 1.00 2.19 N ATOM 0 H ARG A 56 1.595 -4.428 2.242 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.625 -5.997 1.098 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.185 -5.266 3.943 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.296 -6.114 3.545 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.213 -8.088 3.296 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.993 -7.379 2.240 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.060 -6.388 4.390 1.00 0.84 H new ATOM 0 HD3 ARG A 56 1.010 -7.473 5.280 1.00 0.84 H new ATOM 0 HE ARG A 56 2.735 -8.645 3.140 1.00 1.44 H new ATOM 0 HH11 ARG A 56 1.165 -9.298 6.072 1.00 2.33 H new ATOM 0 HH12 ARG A 56 2.535 -10.095 6.852 1.00 2.33 H new ATOM 0 HH21 ARG A 56 4.846 -9.156 4.361 1.00 2.19 H new ATOM 0 HH22 ARG A 56 4.612 -10.015 5.887 1.00 2.19 H new ATOM 860 N ILE A 57 -2.120 -4.056 0.857 1.00 0.24 N ATOM 861 CA ILE A 57 -3.103 -2.984 0.741 1.00 0.24 C ATOM 862 C ILE A 57 -4.508 -3.558 0.840 1.00 0.26 C ATOM 863 O ILE A 57 -4.847 -4.503 0.131 1.00 0.40 O ATOM 864 CB ILE A 57 -2.933 -2.263 -0.591 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.498 -1.769 -0.759 1.00 0.28 C ATOM 866 CG2 ILE A 57 -3.918 -1.104 -0.709 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.095 -0.819 0.365 1.00 1.32 C ATOM 0 H ILE A 57 -2.178 -4.760 0.121 1.00 0.24 H new ATOM 0 HA ILE A 57 -2.949 -2.273 1.553 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.146 -2.973 -1.390 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -0.819 -2.621 -0.776 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.397 -1.262 -1.718 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -3.778 -0.604 -1.667 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -4.937 -1.485 -0.643 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.743 -0.394 0.099 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.068 -0.489 0.211 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.758 0.046 0.366 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.171 -1.335 1.322 1.00 1.32 H new ATOM 879 N GLU A 58 -5.324 -2.996 1.724 1.00 0.23 N ATOM 880 CA GLU A 58 -6.688 -3.479 1.904 1.00 0.25 C ATOM 881 C GLU A 58 -7.605 -2.363 2.380 1.00 0.24 C ATOM 882 O GLU A 58 -7.225 -1.534 3.207 1.00 0.26 O ATOM 883 CB GLU A 58 -6.702 -4.628 2.909 1.00 0.32 C ATOM 884 CG GLU A 58 -8.119 -5.128 3.179 1.00 0.37 C ATOM 885 CD GLU A 58 -8.150 -5.960 4.454 1.00 0.82 C ATOM 886 OE1 GLU A 58 -7.232 -6.786 4.650 1.00 1.47 O ATOM 887 OE2 GLU A 58 -9.090 -5.784 5.258 1.00 1.56 O ATOM 0 H GLU A 58 -5.068 -2.211 2.323 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.055 -3.834 0.941 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.093 -5.449 2.531 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.248 -4.299 3.844 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.799 -4.282 3.272 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.468 -5.726 2.337 1.00 0.37 H new ATOM 894 N GLY A 59 -8.820 -2.360 1.847 1.00 0.25 N ATOM 895 CA GLY A 59 -9.822 -1.364 2.196 1.00 0.27 C ATOM 896 C GLY A 59 -11.212 -1.941 1.993 1.00 0.39 C ATOM 897 O GLY A 59 -11.591 -2.916 2.643 1.00 0.59 O ATOM 0 H GLY A 59 -9.137 -3.046 1.162 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.695 -1.054 3.233 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.694 -0.474 1.580 1.00 0.27 H new ATOM 901 N ASP A 60 -11.969 -1.352 1.074 1.00 0.53 N ATOM 902 CA ASP A 60 -13.311 -1.834 0.785 1.00 0.70 C ATOM 903 C ASP A 60 -13.866 -1.193 -0.480 1.00 0.59 C ATOM 904 O ASP A 60 -14.086 -1.873 -1.482 1.00 1.04 O ATOM 905 CB ASP A 60 -14.239 -1.563 1.967 1.00 1.22 C ATOM 906 CG ASP A 60 -14.546 -2.859 2.707 1.00 1.93 C ATOM 907 OD1 ASP A 60 -14.900 -3.855 2.042 1.00 2.31 O ATOM 908 OD2 ASP A 60 -14.434 -2.874 3.951 1.00 2.66 O ATOM 0 H ASP A 60 -11.678 -0.546 0.521 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.253 -2.910 0.621 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.774 -0.850 2.647 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.165 -1.110 1.614 1.00 1.22 H new ATOM 913 N PRO A 61 -14.101 0.129 -0.459 1.00 0.72 N ATOM 914 CA PRO A 61 -14.631 0.842 -1.625 1.00 1.14 C ATOM 915 C PRO A 61 -13.591 0.969 -2.728 1.00 0.88 C ATOM 916 O PRO A 61 -12.563 0.291 -2.707 1.00 1.22 O ATOM 917 CB PRO A 61 -15.013 2.211 -1.067 1.00 1.82 C ATOM 918 CG PRO A 61 -14.147 2.398 0.132 1.00 1.82 C ATOM 919 CD PRO A 61 -13.863 1.026 0.686 1.00 1.17 C ATOM 0 HA PRO A 61 -15.470 0.321 -2.085 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -14.843 2.998 -1.802 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.069 2.247 -0.800 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -13.220 2.905 -0.136 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -14.646 3.019 0.876 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -12.839 0.946 1.051 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -14.519 0.789 1.523 1.00 1.17 H new ATOM 927 N GLN A 62 -13.856 1.847 -3.687 1.00 0.64 N ATOM 928 CA GLN A 62 -12.934 2.070 -4.792 1.00 0.47 C ATOM 929 C GLN A 62 -11.606 2.631 -4.284 1.00 0.41 C ATOM 930 O GLN A 62 -10.615 2.646 -5.010 1.00 0.47 O ATOM 931 CB GLN A 62 -13.551 3.035 -5.798 1.00 0.69 C ATOM 932 CG GLN A 62 -14.998 2.668 -6.115 1.00 0.85 C ATOM 933 CD GLN A 62 -15.301 2.931 -7.585 1.00 1.34 C ATOM 934 OE1 GLN A 62 -14.713 2.311 -8.471 1.00 2.14 O ATOM 935 NE2 GLN A 62 -16.220 3.855 -7.845 1.00 1.73 N ATOM 0 H GLN A 62 -14.702 2.416 -3.721 1.00 0.64 H new ATOM 0 HA GLN A 62 -12.743 1.114 -5.279 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -13.511 4.049 -5.401 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -12.964 3.028 -6.716 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -15.173 1.617 -5.883 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -15.674 3.250 -5.488 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -16.682 4.344 -7.079 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -16.463 4.075 -8.811 1.00 1.73 H new ATOM 944 N GLY A 63 -11.594 3.103 -3.037 1.00 0.37 N ATOM 945 CA GLY A 63 -10.393 3.674 -2.440 1.00 0.34 C ATOM 946 C GLY A 63 -9.243 2.673 -2.388 1.00 0.27 C ATOM 947 O GLY A 63 -8.098 3.028 -2.664 1.00 0.29 O ATOM 0 H GLY A 63 -12.407 3.100 -2.421 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.085 4.549 -3.013 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.619 4.018 -1.431 1.00 0.34 H new ATOM 951 N VAL A 64 -9.536 1.427 -2.019 1.00 0.24 N ATOM 952 CA VAL A 64 -8.493 0.410 -1.923 1.00 0.21 C ATOM 953 C VAL A 64 -7.903 0.097 -3.296 1.00 0.24 C ATOM 954 O VAL A 64 -6.688 -0.041 -3.439 1.00 0.28 O ATOM 955 CB VAL A 64 -9.024 -0.866 -1.250 1.00 0.24 C ATOM 956 CG1 VAL A 64 -9.834 -1.739 -2.206 1.00 0.30 C ATOM 957 CG2 VAL A 64 -7.863 -1.661 -0.666 1.00 0.26 C ATOM 0 H VAL A 64 -10.474 1.101 -1.785 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.695 0.811 -1.298 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.700 -0.557 -0.453 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.185 -2.627 -1.679 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.690 -1.175 -2.577 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.206 -2.039 -3.045 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.244 -2.565 -0.190 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.172 -1.935 -1.463 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.342 -1.053 0.074 1.00 0.26 H new ATOM 967 N GLN A 65 -8.762 -0.012 -4.304 1.00 0.25 N ATOM 968 CA GLN A 65 -8.309 -0.306 -5.660 1.00 0.30 C ATOM 969 C GLN A 65 -7.632 0.915 -6.269 1.00 0.30 C ATOM 970 O GLN A 65 -6.650 0.792 -7.001 1.00 0.34 O ATOM 971 CB GLN A 65 -9.489 -0.738 -6.527 1.00 0.37 C ATOM 972 CG GLN A 65 -10.496 0.392 -6.707 1.00 0.42 C ATOM 973 CD GLN A 65 -11.589 -0.022 -7.684 1.00 0.78 C ATOM 974 OE1 GLN A 65 -12.124 -1.128 -7.600 1.00 1.56 O ATOM 975 NE2 GLN A 65 -11.922 0.866 -8.613 1.00 0.82 N ATOM 0 H GLN A 65 -9.772 0.098 -4.209 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.586 -1.121 -5.616 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.126 -1.061 -7.502 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -9.982 -1.596 -6.070 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -10.938 0.650 -5.745 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -9.989 1.284 -7.075 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -11.452 1.771 -8.645 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -12.648 0.643 -9.294 1.00 0.82 H new ATOM 984 N GLN A 66 -8.160 2.095 -5.957 1.00 0.29 N ATOM 985 CA GLN A 66 -7.604 3.343 -6.468 1.00 0.31 C ATOM 986 C GLN A 66 -6.230 3.592 -5.861 1.00 0.29 C ATOM 987 O GLN A 66 -5.256 3.819 -6.577 1.00 0.36 O ATOM 988 CB GLN A 66 -8.537 4.506 -6.142 1.00 0.35 C ATOM 989 CG GLN A 66 -9.442 4.851 -7.322 1.00 0.79 C ATOM 990 CD GLN A 66 -9.607 6.361 -7.438 1.00 1.10 C ATOM 991 OE1 GLN A 66 -8.754 7.125 -6.989 1.00 2.03 O ATOM 992 NE2 GLN A 66 -10.708 6.792 -8.044 1.00 1.31 N ATOM 0 H GLN A 66 -8.973 2.213 -5.352 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.503 3.264 -7.550 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.149 4.250 -5.277 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -7.947 5.380 -5.868 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -9.017 4.453 -8.243 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -10.417 4.381 -7.191 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -11.389 6.122 -8.401 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -10.872 7.793 -8.152 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.160 3.544 -4.534 1.00 0.26 N ATOM 1002 CA ALA A 67 -4.904 3.759 -3.826 1.00 0.27 C ATOM 1003 C ALA A 67 -3.891 2.694 -4.220 1.00 0.26 C ATOM 1004 O ALA A 67 -2.699 2.974 -4.357 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.137 3.722 -2.318 1.00 0.29 C ATOM 0 H ALA A 67 -6.959 3.358 -3.928 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.512 4.739 -4.100 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.192 3.884 -1.800 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.842 4.505 -2.039 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.544 2.751 -2.036 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.372 1.469 -4.409 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.510 0.360 -4.795 1.00 0.28 C ATOM 1013 C LYS A 68 -2.755 0.708 -6.073 1.00 0.31 C ATOM 1014 O LYS A 68 -1.569 1.032 -6.035 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.345 -0.903 -5.002 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.493 -2.074 -5.485 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.212 -2.889 -6.556 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.288 -3.931 -7.183 1.00 0.57 C ATOM 1019 NZ LYS A 68 -3.932 -4.593 -8.352 1.00 0.88 N ATOM 0 H LYS A 68 -5.355 1.220 -4.301 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.788 0.177 -3.999 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -4.835 -1.172 -4.066 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.133 -0.703 -5.728 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.551 -1.699 -5.884 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.247 -2.718 -4.641 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.077 -3.386 -6.117 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -4.588 -2.221 -7.331 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.360 -3.454 -7.498 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -3.024 -4.681 -6.438 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -3.280 -5.295 -8.756 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -4.805 -5.068 -8.045 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -4.161 -3.879 -9.072 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.452 0.641 -7.203 1.00 0.36 N ATOM 1034 CA ARG A 69 -2.850 0.953 -8.495 1.00 0.43 C ATOM 1035 C ARG A 69 -2.123 2.292 -8.437 1.00 0.42 C ATOM 1036 O ARG A 69 -1.111 2.487 -9.110 1.00 0.46 O ATOM 1037 CB ARG A 69 -3.928 0.997 -9.575 1.00 0.50 C ATOM 1038 CG ARG A 69 -4.665 -0.334 -9.689 1.00 1.02 C ATOM 1039 CD ARG A 69 -5.510 -0.400 -10.959 1.00 1.36 C ATOM 1040 NE ARG A 69 -6.782 -1.061 -10.690 1.00 1.81 N ATOM 1041 CZ ARG A 69 -7.696 -1.227 -11.640 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -7.361 -1.790 -12.793 1.00 2.98 N ATOM 1043 NH2 ARG A 69 -8.945 -0.830 -11.438 1.00 2.76 N ATOM 0 H ARG A 69 -4.435 0.373 -7.250 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.128 0.173 -8.738 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -4.641 1.789 -9.346 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -3.473 1.245 -10.534 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -3.944 -1.151 -9.688 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -5.305 -0.472 -8.818 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -5.689 0.607 -11.337 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -4.969 -0.941 -11.736 1.00 1.36 H new ATOM 0 HE ARG A 69 -6.975 -1.404 -9.749 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -6.401 -2.096 -12.951 1.00 2.98 H new ATOM 0 HH12 ARG A 69 -8.063 -1.917 -13.522 1.00 2.98 H new ATOM 0 HH21 ARG A 69 -9.205 -0.396 -10.552 1.00 2.76 H new ATOM 0 HH22 ARG A 69 -9.645 -0.958 -12.168 1.00 2.76 H new ATOM 1057 N GLU A 70 -2.642 3.208 -7.627 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.039 4.529 -7.478 1.00 0.43 C ATOM 1059 C GLU A 70 -0.603 4.401 -6.989 1.00 0.44 C ATOM 1060 O GLU A 70 0.319 4.954 -7.589 1.00 0.56 O ATOM 1061 CB GLU A 70 -2.850 5.367 -6.494 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.212 6.732 -6.260 1.00 0.59 C ATOM 1063 CD GLU A 70 -2.564 7.680 -7.398 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -3.738 8.097 -7.486 1.00 1.50 O ATOM 1065 OE2 GLU A 70 -1.664 8.006 -8.200 1.00 1.38 O ATOM 0 H GLU A 70 -3.479 3.061 -7.063 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.038 5.023 -8.449 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -3.863 5.499 -6.876 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -2.933 4.836 -5.546 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.558 7.145 -5.313 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.130 6.628 -6.186 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.420 3.664 -5.900 1.00 0.40 N ATOM 1073 CA LEU A 71 0.905 3.455 -5.330 1.00 0.47 C ATOM 1074 C LEU A 71 1.811 2.773 -6.345 1.00 0.52 C ATOM 1075 O LEU A 71 2.978 3.134 -6.496 1.00 0.60 O ATOM 1076 CB LEU A 71 0.797 2.598 -4.074 1.00 0.51 C ATOM 1077 CG LEU A 71 0.146 3.365 -2.927 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.582 2.413 -1.983 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.185 4.188 -2.171 1.00 1.15 C ATOM 0 H LEU A 71 -1.174 3.200 -5.393 1.00 0.40 H new ATOM 0 HA LEU A 71 1.334 4.422 -5.069 1.00 0.47 H new ATOM 0 HB2 LEU A 71 0.214 1.703 -4.292 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.790 2.265 -3.773 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.589 4.050 -3.350 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -1.038 2.982 -1.173 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.357 1.878 -2.532 1.00 1.08 H new ATOM 0 HD13 LEU A 71 0.128 1.698 -1.568 1.00 1.08 H new ATOM 0 HD21 LEU A 71 0.700 4.727 -1.357 1.00 1.15 H new ATOM 0 HD22 LEU A 71 1.948 3.525 -1.763 1.00 1.15 H new ATOM 0 HD23 LEU A 71 1.650 4.901 -2.852 1.00 1.15 H new ATOM 1091 N LEU A 72 1.262 1.784 -7.042 1.00 0.52 N ATOM 1092 CA LEU A 72 2.008 1.041 -8.052 1.00 0.63 C ATOM 1093 C LEU A 72 2.724 1.994 -9.002 1.00 0.67 C ATOM 1094 O LEU A 72 3.878 1.771 -9.367 1.00 0.83 O ATOM 1095 CB LEU A 72 1.058 0.145 -8.841 1.00 0.66 C ATOM 1096 CG LEU A 72 1.009 -1.268 -8.267 1.00 0.88 C ATOM 1097 CD1 LEU A 72 -0.434 -1.715 -8.056 1.00 1.99 C ATOM 1098 CD2 LEU A 72 1.748 -2.245 -9.177 1.00 1.04 C ATOM 0 H LEU A 72 0.296 1.477 -6.925 1.00 0.52 H new ATOM 0 HA LEU A 72 2.754 0.426 -7.549 1.00 0.63 H new ATOM 0 HB2 LEU A 72 0.057 0.577 -8.831 1.00 0.66 H new ATOM 0 HB3 LEU A 72 1.377 0.104 -9.883 1.00 0.66 H new ATOM 0 HG LEU A 72 1.508 -1.260 -7.298 1.00 0.88 H new ATOM 0 HD11 LEU A 72 -0.446 -2.725 -7.646 1.00 1.99 H new ATOM 0 HD12 LEU A 72 -0.927 -1.036 -7.361 1.00 1.99 H new ATOM 0 HD13 LEU A 72 -0.961 -1.704 -9.010 1.00 1.99 H new ATOM 0 HD21 LEU A 72 1.701 -3.247 -8.750 1.00 1.04 H new ATOM 0 HD22 LEU A 72 1.282 -2.249 -10.162 1.00 1.04 H new ATOM 0 HD23 LEU A 72 2.790 -1.939 -9.270 1.00 1.04 H new ATOM 1110 N GLU A 73 2.031 3.054 -9.401 1.00 0.64 N ATOM 1111 CA GLU A 73 2.596 4.043 -10.314 1.00 0.74 C ATOM 1112 C GLU A 73 3.232 5.190 -9.540 1.00 0.71 C ATOM 1113 O GLU A 73 4.450 5.231 -9.361 1.00 0.88 O ATOM 1114 CB GLU A 73 1.507 4.580 -11.238 1.00 0.82 C ATOM 1115 CG GLU A 73 1.049 3.525 -12.240 1.00 1.00 C ATOM 1116 CD GLU A 73 0.440 4.191 -13.468 1.00 1.41 C ATOM 1117 OE1 GLU A 73 -0.223 5.236 -13.312 1.00 2.01 O ATOM 1118 OE2 GLU A 73 0.629 3.664 -14.585 1.00 2.05 O ATOM 0 H GLU A 73 1.075 3.252 -9.106 1.00 0.64 H new ATOM 0 HA GLU A 73 3.369 3.559 -10.911 1.00 0.74 H new ATOM 0 HB2 GLU A 73 0.656 4.912 -10.643 1.00 0.82 H new ATOM 0 HB3 GLU A 73 1.881 5.453 -11.773 1.00 0.82 H new ATOM 0 HG2 GLU A 73 1.894 2.904 -12.536 1.00 1.00 H new ATOM 0 HG3 GLU A 73 0.316 2.865 -11.775 1.00 1.00 H new ATOM 1125 N LEU A 74 2.399 6.132 -9.092 1.00 0.64 N ATOM 1126 CA LEU A 74 2.856 7.297 -8.347 1.00 0.71 C ATOM 1127 C LEU A 74 3.980 6.949 -7.374 1.00 0.82 C ATOM 1128 O LEU A 74 4.978 7.662 -7.284 1.00 1.13 O ATOM 1129 CB LEU A 74 1.684 7.902 -7.589 1.00 0.85 C ATOM 1130 CG LEU A 74 0.883 8.812 -8.504 1.00 0.99 C ATOM 1131 CD1 LEU A 74 0.052 7.996 -9.479 1.00 1.32 C ATOM 1132 CD2 LEU A 74 0.009 9.771 -7.699 1.00 1.19 C ATOM 0 H LEU A 74 1.390 6.105 -9.238 1.00 0.64 H new ATOM 0 HA LEU A 74 3.254 8.018 -9.061 1.00 0.71 H new ATOM 0 HB2 LEU A 74 1.044 7.110 -7.201 1.00 0.85 H new ATOM 0 HB3 LEU A 74 2.049 8.466 -6.731 1.00 0.85 H new ATOM 0 HG LEU A 74 1.584 9.414 -9.082 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -0.514 8.667 -10.125 1.00 1.32 H new ATOM 0 HD12 LEU A 74 0.710 7.376 -10.088 1.00 1.32 H new ATOM 0 HD13 LEU A 74 -0.637 7.359 -8.925 1.00 1.32 H new ATOM 0 HD21 LEU A 74 -0.553 10.410 -8.380 1.00 1.19 H new ATOM 0 HD22 LEU A 74 -0.685 9.200 -7.082 1.00 1.19 H new ATOM 0 HD23 LEU A 74 0.640 10.388 -7.060 1.00 1.19 H new ATOM 1144 N ALA A 75 3.810 5.848 -6.649 1.00 0.78 N ATOM 1145 CA ALA A 75 4.811 5.408 -5.684 1.00 0.99 C ATOM 1146 C ALA A 75 4.984 6.443 -4.581 1.00 1.70 C ATOM 1147 O ALA A 75 6.041 6.527 -3.956 1.00 2.16 O ATOM 1148 CB ALA A 75 6.144 5.173 -6.390 1.00 1.14 C ATOM 0 H ALA A 75 2.990 5.245 -6.711 1.00 0.78 H new ATOM 0 HA ALA A 75 4.472 4.475 -5.233 1.00 0.99 H new ATOM 0 HB1 ALA A 75 6.887 4.845 -5.664 1.00 1.14 H new ATOM 0 HB2 ALA A 75 6.020 4.406 -7.155 1.00 1.14 H new ATOM 0 HB3 ALA A 75 6.477 6.100 -6.856 1.00 1.14 H new