USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 584 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 Single : A 5 HIS : no HE2:sc= 0.627 K(o=0.63,f=-6!) USER MOD Single : A 8 ASN : amide:sc= -0.0308 X(o=-0.031,f=-0.35) USER MOD Single : A 15 HIS : no HD1:sc= 0.869 K(o=0.87,f=-6.8!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.436 K(o=-0.44,f=-9.5!) USER MOD Single : A 25 LYS NZ :NH3+ -172:sc= 1.2 (180deg=1.11) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0183 USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 1.08 (180deg=0.986) USER MOD Single : A 38 LYS NZ :NH3+ 148:sc= 1.1 (180deg=0.61) USER MOD Single : A 39 SER OG : rot 71:sc= 1.29 USER MOD Single : A 41 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 49 THR OG1 : rot 87:sc= 0.388 USER MOD Single : A 51 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.127) USER MOD Single : A 54 LYS NZ :NH3+ 142:sc= 0.144 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 173:sc= 1.33 (180deg=1.22) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 HIS :FLIP no HD1:sc=-0.00749 F(o=-0.82,f=-0.0075) USER MOD Single : A 80 GLN : amide:sc= -0.46 X(o=-0.46,f=-0.03) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 -9.009 -5.167 -9.024 1.00 62.03 N ATOM 35 CA VAL A 3 -8.464 -5.081 -7.672 1.00 40.21 C ATOM 36 C VAL A 3 -7.460 -6.199 -7.376 1.00 61.33 C ATOM 37 O VAL A 3 -6.486 -5.987 -6.656 1.00 53.13 O ATOM 38 CB VAL A 3 -9.597 -5.093 -6.617 1.00 40.04 C ATOM 39 CG1 VAL A 3 -10.355 -6.414 -6.627 1.00 73.53 C ATOM 40 CG2 VAL A 3 -9.050 -4.791 -5.230 1.00 41.14 C ATOM 0 HA VAL A 3 -7.929 -4.133 -7.611 1.00 40.21 H new ATOM 0 HB VAL A 3 -10.303 -4.307 -6.883 1.00 40.04 H new ATOM 0 HG11 VAL A 3 -11.143 -6.387 -5.874 1.00 73.53 H new ATOM 0 HG12 VAL A 3 -10.798 -6.572 -7.610 1.00 73.53 H new ATOM 0 HG13 VAL A 3 -9.667 -7.230 -6.404 1.00 73.53 H new ATOM 0 HG21 VAL A 3 -9.865 -4.805 -4.506 1.00 41.14 H new ATOM 0 HG22 VAL A 3 -8.311 -5.544 -4.958 1.00 41.14 H new ATOM 0 HG23 VAL A 3 -8.582 -3.807 -5.230 1.00 41.14 H new ATOM 50 N ASP A 4 -7.677 -7.376 -7.958 1.00 22.02 N ATOM 51 CA ASP A 4 -6.794 -8.518 -7.728 1.00 4.11 C ATOM 52 C ASP A 4 -5.369 -8.182 -8.168 1.00 50.43 C ATOM 53 O ASP A 4 -4.401 -8.524 -7.493 1.00 2.22 O ATOM 54 CB ASP A 4 -7.309 -9.767 -8.468 1.00 12.03 C ATOM 55 CG ASP A 4 -6.784 -9.895 -9.890 1.00 51.32 C ATOM 56 OD1 ASP A 4 -7.123 -9.046 -10.746 1.00 54.23 O ATOM 57 OD2 ASP A 4 -6.025 -10.846 -10.162 1.00 24.23 O ATOM 0 H ASP A 4 -8.454 -7.564 -8.591 1.00 22.02 H new ATOM 0 HA ASP A 4 -6.787 -8.737 -6.660 1.00 4.11 H new ATOM 0 HB2 ASP A 4 -7.025 -10.655 -7.904 1.00 12.03 H new ATOM 0 HB3 ASP A 4 -8.398 -9.740 -8.493 1.00 12.03 H new ATOM 62 N HIS A 5 -5.255 -7.479 -9.287 1.00 44.10 N ATOM 63 CA HIS A 5 -3.960 -7.083 -9.819 1.00 74.32 C ATOM 64 C HIS A 5 -3.421 -5.864 -9.090 1.00 33.34 C ATOM 65 O HIS A 5 -2.209 -5.704 -8.945 1.00 71.22 O ATOM 66 CB HIS A 5 -4.063 -6.789 -11.314 1.00 44.23 C ATOM 67 CG HIS A 5 -3.983 -8.010 -12.177 1.00 23.02 C ATOM 68 ND1 HIS A 5 -4.995 -8.937 -12.278 1.00 41.22 N ATOM 69 CD2 HIS A 5 -2.991 -8.452 -12.980 1.00 53.40 C ATOM 70 CE1 HIS A 5 -4.628 -9.895 -13.106 1.00 14.25 C ATOM 71 NE2 HIS A 5 -3.415 -9.625 -13.546 1.00 40.21 N ATOM 0 H HIS A 5 -6.050 -7.170 -9.846 1.00 44.10 H new ATOM 0 HA HIS A 5 -3.269 -7.912 -9.666 1.00 74.32 H new ATOM 0 HB2 HIS A 5 -5.006 -6.278 -11.510 1.00 44.23 H new ATOM 0 HB3 HIS A 5 -3.264 -6.103 -11.596 1.00 44.23 H new ATOM 0 HD1 HIS A 5 -5.889 -8.890 -11.789 1.00 41.22 H new ATOM 0 HD2 HIS A 5 -2.039 -7.970 -13.145 1.00 53.40 H new ATOM 0 HE1 HIS A 5 -5.221 -10.756 -13.378 1.00 14.25 H new ATOM 80 N GLU A 6 -4.324 -5.003 -8.638 1.00 52.41 N ATOM 81 CA GLU A 6 -3.935 -3.796 -7.921 1.00 24.54 C ATOM 82 C GLU A 6 -3.250 -4.164 -6.607 1.00 11.41 C ATOM 83 O GLU A 6 -2.227 -3.585 -6.245 1.00 64.21 O ATOM 84 CB GLU A 6 -5.154 -2.906 -7.647 1.00 41.20 C ATOM 85 CG GLU A 6 -6.017 -2.622 -8.871 1.00 52.33 C ATOM 86 CD GLU A 6 -5.285 -1.899 -9.988 1.00 55.11 C ATOM 87 OE1 GLU A 6 -4.677 -2.581 -10.846 1.00 12.11 O ATOM 88 OE2 GLU A 6 -5.349 -0.656 -10.041 1.00 44.25 O ATOM 0 H GLU A 6 -5.331 -5.118 -8.755 1.00 52.41 H new ATOM 0 HA GLU A 6 -3.236 -3.238 -8.545 1.00 24.54 H new ATOM 0 HB2 GLU A 6 -5.772 -3.382 -6.885 1.00 41.20 H new ATOM 0 HB3 GLU A 6 -4.810 -1.958 -7.233 1.00 41.20 H new ATOM 0 HG2 GLU A 6 -6.405 -3.565 -9.256 1.00 52.33 H new ATOM 0 HG3 GLU A 6 -6.876 -2.024 -8.567 1.00 52.33 H new ATOM 95 N VAL A 7 -3.811 -5.149 -5.907 1.00 33.50 N ATOM 96 CA VAL A 7 -3.254 -5.606 -4.636 1.00 70.44 C ATOM 97 C VAL A 7 -1.837 -6.147 -4.817 1.00 3.31 C ATOM 98 O VAL A 7 -0.945 -5.845 -4.024 1.00 21.33 O ATOM 99 CB VAL A 7 -4.127 -6.705 -3.994 1.00 54.02 C ATOM 100 CG1 VAL A 7 -3.525 -7.175 -2.676 1.00 43.13 C ATOM 101 CG2 VAL A 7 -5.549 -6.208 -3.779 1.00 33.33 C ATOM 0 H VAL A 7 -4.652 -5.646 -6.200 1.00 33.50 H new ATOM 0 HA VAL A 7 -3.232 -4.738 -3.977 1.00 70.44 H new ATOM 0 HB VAL A 7 -4.158 -7.552 -4.679 1.00 54.02 H new ATOM 0 HG11 VAL A 7 -4.158 -7.949 -2.243 1.00 43.13 H new ATOM 0 HG12 VAL A 7 -2.528 -7.579 -2.855 1.00 43.13 H new ATOM 0 HG13 VAL A 7 -3.457 -6.334 -1.986 1.00 43.13 H new ATOM 0 HG21 VAL A 7 -6.146 -6.999 -3.326 1.00 33.33 H new ATOM 0 HG22 VAL A 7 -5.535 -5.340 -3.119 1.00 33.33 H new ATOM 0 HG23 VAL A 7 -5.985 -5.928 -4.738 1.00 33.33 H new ATOM 111 N ASN A 8 -1.634 -6.945 -5.863 1.00 64.13 N ATOM 112 CA ASN A 8 -0.307 -7.481 -6.161 1.00 41.04 C ATOM 113 C ASN A 8 0.647 -6.338 -6.442 1.00 12.40 C ATOM 114 O ASN A 8 1.767 -6.317 -5.954 1.00 31.24 O ATOM 115 CB ASN A 8 -0.325 -8.412 -7.382 1.00 23.04 C ATOM 116 CG ASN A 8 -1.374 -9.502 -7.305 1.00 44.42 C ATOM 117 OD1 ASN A 8 -1.771 -9.936 -6.225 1.00 43.54 O ATOM 118 ND2 ASN A 8 -1.816 -9.966 -8.464 1.00 60.23 N ATOM 0 H ASN A 8 -2.365 -7.233 -6.514 1.00 64.13 H new ATOM 0 HA ASN A 8 0.017 -8.056 -5.293 1.00 41.04 H new ATOM 0 HB2 ASN A 8 -0.498 -7.817 -8.278 1.00 23.04 H new ATOM 0 HB3 ASN A 8 0.657 -8.873 -7.490 1.00 23.04 H new ATOM 0 HD21 ASN A 8 -2.512 -10.711 -8.483 1.00 60.23 H new ATOM 0 HD22 ASN A 8 -1.460 -9.578 -9.338 1.00 60.23 H new ATOM 125 N LEU A 9 0.176 -5.368 -7.206 1.00 61.12 N ATOM 126 CA LEU A 9 0.986 -4.218 -7.549 1.00 1.21 C ATOM 127 C LEU A 9 1.334 -3.435 -6.288 1.00 34.11 C ATOM 128 O LEU A 9 2.431 -2.892 -6.162 1.00 10.13 O ATOM 129 CB LEU A 9 0.240 -3.334 -8.545 1.00 2.10 C ATOM 130 CG LEU A 9 0.993 -2.088 -8.987 1.00 52.32 C ATOM 131 CD1 LEU A 9 2.255 -2.455 -9.756 1.00 23.30 C ATOM 132 CD2 LEU A 9 0.088 -1.205 -9.822 1.00 41.13 C ATOM 0 H LEU A 9 -0.765 -5.356 -7.600 1.00 61.12 H new ATOM 0 HA LEU A 9 1.912 -4.555 -8.014 1.00 1.21 H new ATOM 0 HB2 LEU A 9 0.001 -3.928 -9.427 1.00 2.10 H new ATOM 0 HB3 LEU A 9 -0.707 -3.029 -8.099 1.00 2.10 H new ATOM 0 HG LEU A 9 1.299 -1.535 -8.099 1.00 52.32 H new ATOM 0 HD11 LEU A 9 2.773 -1.546 -10.060 1.00 23.30 H new ATOM 0 HD12 LEU A 9 2.909 -3.050 -9.119 1.00 23.30 H new ATOM 0 HD13 LEU A 9 1.987 -3.033 -10.641 1.00 23.30 H new ATOM 0 HD21 LEU A 9 0.635 -0.315 -10.134 1.00 41.13 H new ATOM 0 HD22 LEU A 9 -0.244 -1.754 -10.703 1.00 41.13 H new ATOM 0 HD23 LEU A 9 -0.778 -0.909 -9.230 1.00 41.13 H new ATOM 144 N LEU A 10 0.394 -3.399 -5.350 1.00 33.34 N ATOM 145 CA LEU A 10 0.615 -2.755 -4.064 1.00 32.34 C ATOM 146 C LEU A 10 1.769 -3.429 -3.331 1.00 61.03 C ATOM 147 O LEU A 10 2.724 -2.769 -2.922 1.00 42.12 O ATOM 148 CB LEU A 10 -0.660 -2.816 -3.215 1.00 4.44 C ATOM 149 CG LEU A 10 -0.614 -2.056 -1.888 1.00 22.50 C ATOM 150 CD1 LEU A 10 -0.424 -0.564 -2.129 1.00 65.13 C ATOM 151 CD2 LEU A 10 -1.885 -2.308 -1.089 1.00 10.41 C ATOM 0 H LEU A 10 -0.533 -3.811 -5.459 1.00 33.34 H new ATOM 0 HA LEU A 10 0.871 -1.709 -4.235 1.00 32.34 H new ATOM 0 HB2 LEU A 10 -1.487 -2.425 -3.807 1.00 4.44 H new ATOM 0 HB3 LEU A 10 -0.884 -3.862 -3.005 1.00 4.44 H new ATOM 0 HG LEU A 10 0.237 -2.421 -1.312 1.00 22.50 H new ATOM 0 HD11 LEU A 10 -0.394 -0.042 -1.173 1.00 65.13 H new ATOM 0 HD12 LEU A 10 0.512 -0.398 -2.663 1.00 65.13 H new ATOM 0 HD13 LEU A 10 -1.254 -0.183 -2.724 1.00 65.13 H new ATOM 0 HD21 LEU A 10 -1.837 -1.761 -0.148 1.00 10.41 H new ATOM 0 HD22 LEU A 10 -2.748 -1.970 -1.662 1.00 10.41 H new ATOM 0 HD23 LEU A 10 -1.981 -3.374 -0.884 1.00 10.41 H new ATOM 163 N VAL A 11 1.697 -4.752 -3.200 1.00 54.54 N ATOM 164 CA VAL A 11 2.730 -5.504 -2.495 1.00 42.41 C ATOM 165 C VAL A 11 4.053 -5.465 -3.260 1.00 5.24 C ATOM 166 O VAL A 11 5.128 -5.523 -2.655 1.00 23.53 O ATOM 167 CB VAL A 11 2.309 -6.971 -2.208 1.00 4.34 C ATOM 168 CG1 VAL A 11 1.046 -7.004 -1.367 1.00 2.12 C ATOM 169 CG2 VAL A 11 2.120 -7.772 -3.479 1.00 52.03 C ATOM 0 H VAL A 11 0.937 -5.322 -3.571 1.00 54.54 H new ATOM 0 HA VAL A 11 2.867 -5.016 -1.530 1.00 42.41 H new ATOM 0 HB VAL A 11 3.122 -7.438 -1.651 1.00 4.34 H new ATOM 0 HG11 VAL A 11 0.764 -8.039 -1.175 1.00 2.12 H new ATOM 0 HG12 VAL A 11 1.226 -6.495 -0.420 1.00 2.12 H new ATOM 0 HG13 VAL A 11 0.240 -6.502 -1.902 1.00 2.12 H new ATOM 0 HG21 VAL A 11 1.826 -8.791 -3.227 1.00 52.03 H new ATOM 0 HG22 VAL A 11 1.343 -7.310 -4.088 1.00 52.03 H new ATOM 0 HG23 VAL A 11 3.055 -7.792 -4.039 1.00 52.03 H new ATOM 179 N GLU A 12 3.972 -5.359 -4.587 1.00 35.32 N ATOM 180 CA GLU A 12 5.161 -5.198 -5.419 1.00 64.02 C ATOM 181 C GLU A 12 5.889 -3.903 -5.069 1.00 25.40 C ATOM 182 O GLU A 12 7.097 -3.900 -4.809 1.00 32.03 O ATOM 183 CB GLU A 12 4.786 -5.181 -6.908 1.00 1.14 C ATOM 184 CG GLU A 12 4.336 -6.526 -7.457 1.00 2.34 C ATOM 185 CD GLU A 12 4.016 -6.470 -8.940 1.00 12.35 C ATOM 186 OE1 GLU A 12 4.962 -6.506 -9.756 1.00 34.12 O ATOM 187 OE2 GLU A 12 2.822 -6.374 -9.300 1.00 23.45 O ATOM 0 H GLU A 12 3.095 -5.382 -5.107 1.00 35.32 H new ATOM 0 HA GLU A 12 5.819 -6.045 -5.226 1.00 64.02 H new ATOM 0 HB2 GLU A 12 3.988 -4.454 -7.061 1.00 1.14 H new ATOM 0 HB3 GLU A 12 5.646 -4.837 -7.483 1.00 1.14 H new ATOM 0 HG2 GLU A 12 5.118 -7.265 -7.285 1.00 2.34 H new ATOM 0 HG3 GLU A 12 3.455 -6.861 -6.911 1.00 2.34 H new ATOM 194 N GLU A 13 5.143 -2.808 -5.036 1.00 23.34 N ATOM 195 CA GLU A 13 5.716 -1.505 -4.730 1.00 13.24 C ATOM 196 C GLU A 13 6.206 -1.451 -3.288 1.00 51.04 C ATOM 197 O GLU A 13 7.271 -0.909 -3.014 1.00 60.51 O ATOM 198 CB GLU A 13 4.696 -0.394 -4.977 1.00 32.15 C ATOM 199 CG GLU A 13 4.283 -0.264 -6.433 1.00 12.21 C ATOM 200 CD GLU A 13 5.472 -0.142 -7.365 1.00 54.33 C ATOM 201 OE1 GLU A 13 6.195 0.870 -7.291 1.00 22.14 O ATOM 202 OE2 GLU A 13 5.690 -1.063 -8.180 1.00 4.55 O ATOM 0 H GLU A 13 4.139 -2.796 -5.217 1.00 23.34 H new ATOM 0 HA GLU A 13 6.568 -1.352 -5.392 1.00 13.24 H new ATOM 0 HB2 GLU A 13 3.810 -0.584 -4.372 1.00 32.15 H new ATOM 0 HB3 GLU A 13 5.115 0.554 -4.640 1.00 32.15 H new ATOM 0 HG2 GLU A 13 3.690 -1.133 -6.718 1.00 12.21 H new ATOM 0 HG3 GLU A 13 3.643 0.611 -6.549 1.00 12.21 H new ATOM 209 N ILE A 14 5.433 -2.025 -2.374 1.00 52.10 N ATOM 210 CA ILE A 14 5.815 -2.070 -0.965 1.00 15.15 C ATOM 211 C ILE A 14 7.134 -2.822 -0.786 1.00 54.33 C ATOM 212 O ILE A 14 7.940 -2.489 0.081 1.00 70.24 O ATOM 213 CB ILE A 14 4.709 -2.718 -0.101 1.00 62.20 C ATOM 214 CG1 ILE A 14 3.444 -1.861 -0.159 1.00 62.31 C ATOM 215 CG2 ILE A 14 5.167 -2.887 1.342 1.00 64.50 C ATOM 216 CD1 ILE A 14 2.250 -2.479 0.534 1.00 60.24 C ATOM 0 H ILE A 14 4.537 -2.466 -2.582 1.00 52.10 H new ATOM 0 HA ILE A 14 5.948 -1.042 -0.628 1.00 15.15 H new ATOM 0 HB ILE A 14 4.494 -3.709 -0.501 1.00 62.20 H new ATOM 0 HG12 ILE A 14 3.653 -0.892 0.294 1.00 62.31 H new ATOM 0 HG13 ILE A 14 3.190 -1.676 -1.203 1.00 62.31 H new ATOM 0 HG21 ILE A 14 4.369 -3.345 1.926 1.00 64.50 H new ATOM 0 HG22 ILE A 14 6.050 -3.525 1.371 1.00 64.50 H new ATOM 0 HG23 ILE A 14 5.411 -1.912 1.763 1.00 64.50 H new ATOM 0 HD11 ILE A 14 1.393 -1.810 0.448 1.00 60.24 H new ATOM 0 HD12 ILE A 14 2.012 -3.435 0.067 1.00 60.24 H new ATOM 0 HD13 ILE A 14 2.482 -2.638 1.587 1.00 60.24 H new ATOM 228 N HIS A 15 7.357 -3.827 -1.623 1.00 3.45 N ATOM 229 CA HIS A 15 8.601 -4.585 -1.590 1.00 40.12 C ATOM 230 C HIS A 15 9.800 -3.709 -1.940 1.00 72.41 C ATOM 231 O HIS A 15 10.780 -3.654 -1.199 1.00 41.31 O ATOM 232 CB HIS A 15 8.540 -5.760 -2.571 1.00 20.10 C ATOM 233 CG HIS A 15 8.333 -7.088 -1.917 1.00 1.45 C ATOM 234 ND1 HIS A 15 9.287 -8.086 -1.925 1.00 45.20 N ATOM 235 CD2 HIS A 15 7.278 -7.586 -1.232 1.00 72.14 C ATOM 236 CE1 HIS A 15 8.828 -9.134 -1.271 1.00 32.12 C ATOM 237 NE2 HIS A 15 7.614 -8.857 -0.842 1.00 11.20 N ATOM 0 H HIS A 15 6.693 -4.136 -2.333 1.00 3.45 H new ATOM 0 HA HIS A 15 8.724 -4.958 -0.573 1.00 40.12 H new ATOM 0 HB2 HIS A 15 7.731 -5.586 -3.281 1.00 20.10 H new ATOM 0 HB3 HIS A 15 9.466 -5.789 -3.145 1.00 20.10 H new ATOM 0 HD2 HIS A 15 6.346 -7.078 -1.030 1.00 72.14 H new ATOM 0 HE1 HIS A 15 9.357 -10.062 -1.114 1.00 32.12 H new ATOM 0 HE2 HIS A 15 7.019 -9.488 -0.305 1.00 11.20 H new ATOM 246 N ARG A 16 9.708 -3.030 -3.071 1.00 54.21 N ATOM 247 CA ARG A 16 10.846 -2.303 -3.627 1.00 41.23 C ATOM 248 C ARG A 16 10.968 -0.865 -3.108 1.00 70.55 C ATOM 249 O ARG A 16 12.060 -0.302 -3.100 1.00 43.02 O ATOM 250 CB ARG A 16 10.774 -2.355 -5.151 1.00 31.25 C ATOM 251 CG ARG A 16 11.258 -3.691 -5.695 1.00 14.53 C ATOM 252 CD ARG A 16 10.783 -3.956 -7.114 1.00 54.21 C ATOM 253 NE ARG A 16 9.412 -4.467 -7.162 1.00 54.22 N ATOM 254 CZ ARG A 16 9.048 -5.713 -6.823 1.00 11.40 C ATOM 255 NH1 ARG A 16 9.931 -6.588 -6.349 1.00 73.31 N ATOM 256 NH2 ARG A 16 7.789 -6.086 -6.965 1.00 32.54 N ATOM 0 H ARG A 16 8.855 -2.965 -3.627 1.00 54.21 H new ATOM 0 HA ARG A 16 11.756 -2.797 -3.287 1.00 41.23 H new ATOM 0 HB2 ARG A 16 9.747 -2.183 -5.472 1.00 31.25 H new ATOM 0 HB3 ARG A 16 11.379 -1.551 -5.571 1.00 31.25 H new ATOM 0 HG2 ARG A 16 12.347 -3.715 -5.671 1.00 14.53 H new ATOM 0 HG3 ARG A 16 10.907 -4.492 -5.044 1.00 14.53 H new ATOM 0 HD2 ARG A 16 10.844 -3.034 -7.692 1.00 54.21 H new ATOM 0 HD3 ARG A 16 11.451 -4.674 -7.589 1.00 54.21 H new ATOM 0 HE ARG A 16 8.680 -3.829 -7.476 1.00 54.22 H new ATOM 0 HH11 ARG A 16 10.908 -6.317 -6.237 1.00 73.31 H new ATOM 0 HH12 ARG A 16 9.631 -7.530 -6.098 1.00 73.31 H new ATOM 0 HH21 ARG A 16 7.100 -5.428 -7.330 1.00 32.54 H new ATOM 0 HH22 ARG A 16 7.505 -7.032 -6.709 1.00 32.54 H new ATOM 270 N LEU A 17 9.859 -0.266 -2.687 1.00 0.14 N ATOM 271 CA LEU A 17 9.887 1.092 -2.143 1.00 51.24 C ATOM 272 C LEU A 17 9.929 1.072 -0.617 1.00 32.13 C ATOM 273 O LEU A 17 10.257 2.079 0.016 1.00 71.33 O ATOM 274 CB LEU A 17 8.664 1.903 -2.594 1.00 23.02 C ATOM 275 CG LEU A 17 8.733 2.529 -3.993 1.00 15.35 C ATOM 276 CD1 LEU A 17 8.773 1.460 -5.073 1.00 23.05 C ATOM 277 CD2 LEU A 17 7.548 3.458 -4.208 1.00 34.52 C ATOM 0 H LEU A 17 8.934 -0.694 -2.711 1.00 0.14 H new ATOM 0 HA LEU A 17 10.791 1.566 -2.526 1.00 51.24 H new ATOM 0 HB2 LEU A 17 7.790 1.252 -2.555 1.00 23.02 H new ATOM 0 HB3 LEU A 17 8.499 2.702 -1.871 1.00 23.02 H new ATOM 0 HG LEU A 17 9.654 3.107 -4.062 1.00 15.35 H new ATOM 0 HD11 LEU A 17 8.822 1.935 -6.053 1.00 23.05 H new ATOM 0 HD12 LEU A 17 9.652 0.831 -4.930 1.00 23.05 H new ATOM 0 HD13 LEU A 17 7.874 0.847 -5.011 1.00 23.05 H new ATOM 0 HD21 LEU A 17 7.606 3.897 -5.204 1.00 34.52 H new ATOM 0 HD22 LEU A 17 6.621 2.893 -4.114 1.00 34.52 H new ATOM 0 HD23 LEU A 17 7.567 4.251 -3.460 1.00 34.52 H new ATOM 289 N GLY A 18 9.597 -0.068 -0.031 1.00 2.40 N ATOM 290 CA GLY A 18 9.497 -0.160 1.409 1.00 24.14 C ATOM 291 C GLY A 18 10.745 -0.729 2.051 1.00 11.13 C ATOM 292 O GLY A 18 11.582 -1.337 1.382 1.00 52.54 O ATOM 0 H GLY A 18 9.394 -0.934 -0.530 1.00 2.40 H new ATOM 0 HA2 GLY A 18 9.303 0.831 1.819 1.00 24.14 H new ATOM 0 HA3 GLY A 18 8.643 -0.785 1.670 1.00 24.14 H new ATOM 296 N SER A 19 10.859 -0.530 3.352 1.00 61.32 N ATOM 297 CA SER A 19 11.995 -1.013 4.116 1.00 20.15 C ATOM 298 C SER A 19 11.502 -1.864 5.280 1.00 1.20 C ATOM 299 O SER A 19 10.363 -1.712 5.722 1.00 54.03 O ATOM 300 CB SER A 19 12.821 0.169 4.632 1.00 44.55 C ATOM 301 OG SER A 19 14.025 -0.267 5.242 1.00 62.45 O ATOM 0 H SER A 19 10.167 -0.029 3.909 1.00 61.32 H new ATOM 0 HA SER A 19 12.629 -1.624 3.473 1.00 20.15 H new ATOM 0 HB2 SER A 19 13.053 0.841 3.806 1.00 44.55 H new ATOM 0 HB3 SER A 19 12.233 0.739 5.351 1.00 44.55 H new ATOM 0 HG SER A 19 14.531 0.510 5.560 1.00 62.45 H new ATOM 307 N LYS A 20 12.345 -2.763 5.763 1.00 11.12 N ATOM 308 CA LYS A 20 11.961 -3.650 6.850 1.00 71.21 C ATOM 309 C LYS A 20 12.196 -2.997 8.205 1.00 44.14 C ATOM 310 O LYS A 20 13.244 -2.400 8.451 1.00 72.54 O ATOM 311 CB LYS A 20 12.710 -4.981 6.761 1.00 64.33 C ATOM 312 CG LYS A 20 12.142 -5.911 5.700 1.00 44.12 C ATOM 313 CD LYS A 20 12.902 -7.224 5.619 1.00 2.40 C ATOM 314 CE LYS A 20 14.286 -7.044 5.016 1.00 20.33 C ATOM 315 NZ LYS A 20 14.979 -8.346 4.831 1.00 53.15 N ATOM 0 H LYS A 20 13.296 -2.898 5.421 1.00 11.12 H new ATOM 0 HA LYS A 20 10.894 -3.848 6.751 1.00 71.21 H new ATOM 0 HB2 LYS A 20 13.760 -4.787 6.542 1.00 64.33 H new ATOM 0 HB3 LYS A 20 12.673 -5.478 7.730 1.00 64.33 H new ATOM 0 HG2 LYS A 20 11.094 -6.113 5.920 1.00 44.12 H new ATOM 0 HG3 LYS A 20 12.174 -5.415 4.730 1.00 44.12 H new ATOM 0 HD2 LYS A 20 12.994 -7.652 6.617 1.00 2.40 H new ATOM 0 HD3 LYS A 20 12.335 -7.935 5.019 1.00 2.40 H new ATOM 0 HE2 LYS A 20 14.201 -6.537 4.055 1.00 20.33 H new ATOM 0 HE3 LYS A 20 14.884 -6.402 5.663 1.00 20.33 H new ATOM 0 HZ1 LYS A 20 15.919 -8.183 4.418 1.00 53.15 H new ATOM 0 HZ2 LYS A 20 15.082 -8.818 5.752 1.00 53.15 H new ATOM 0 HZ3 LYS A 20 14.421 -8.949 4.194 1.00 53.15 H new ATOM 329 N ASN A 21 11.202 -3.106 9.070 1.00 22.45 N ATOM 330 CA ASN A 21 11.276 -2.545 10.414 1.00 3.01 C ATOM 331 C ASN A 21 11.922 -3.532 11.378 1.00 4.40 C ATOM 332 O ASN A 21 12.383 -4.603 10.973 1.00 23.02 O ATOM 333 CB ASN A 21 9.877 -2.137 10.906 1.00 45.41 C ATOM 334 CG ASN A 21 8.856 -3.266 10.847 1.00 72.11 C ATOM 335 OD1 ASN A 21 9.189 -4.440 11.002 1.00 11.12 O ATOM 336 ND2 ASN A 21 7.597 -2.912 10.626 1.00 51.04 N ATOM 0 H ASN A 21 10.324 -3.583 8.865 1.00 22.45 H new ATOM 0 HA ASN A 21 11.900 -1.652 10.378 1.00 3.01 H new ATOM 0 HB2 ASN A 21 9.952 -1.780 11.933 1.00 45.41 H new ATOM 0 HB3 ASN A 21 9.518 -1.302 10.304 1.00 45.41 H new ATOM 0 HD21 ASN A 21 6.868 -3.624 10.580 1.00 51.04 H new ATOM 0 HD22 ASN A 21 7.358 -1.928 10.502 1.00 51.04 H new ATOM 343 N ALA A 22 11.953 -3.168 12.654 1.00 23.13 N ATOM 344 CA ALA A 22 12.568 -3.996 13.681 1.00 41.21 C ATOM 345 C ALA A 22 11.890 -5.362 13.786 1.00 22.13 C ATOM 346 O ALA A 22 12.514 -6.344 14.183 1.00 52.21 O ATOM 347 CB ALA A 22 12.528 -3.280 15.020 1.00 5.23 C ATOM 0 H ALA A 22 11.555 -2.296 13.003 1.00 23.13 H new ATOM 0 HA ALA A 22 13.606 -4.167 13.396 1.00 41.21 H new ATOM 0 HB1 ALA A 22 12.990 -3.907 15.782 1.00 5.23 H new ATOM 0 HB2 ALA A 22 13.072 -2.339 14.946 1.00 5.23 H new ATOM 0 HB3 ALA A 22 11.492 -3.079 15.295 1.00 5.23 H new ATOM 353 N ASP A 23 10.618 -5.422 13.407 1.00 73.22 N ATOM 354 CA ASP A 23 9.855 -6.666 13.470 1.00 54.11 C ATOM 355 C ASP A 23 10.194 -7.566 12.283 1.00 44.22 C ATOM 356 O ASP A 23 9.942 -8.770 12.309 1.00 42.52 O ATOM 357 CB ASP A 23 8.354 -6.356 13.486 1.00 60.23 C ATOM 358 CG ASP A 23 7.492 -7.604 13.563 1.00 22.43 C ATOM 359 OD1 ASP A 23 7.180 -8.187 12.503 1.00 21.45 O ATOM 360 OD2 ASP A 23 7.110 -8.000 14.680 1.00 60.11 O ATOM 0 H ASP A 23 10.092 -4.623 13.052 1.00 73.22 H new ATOM 0 HA ASP A 23 10.121 -7.192 14.387 1.00 54.11 H new ATOM 0 HB2 ASP A 23 8.130 -5.713 14.337 1.00 60.23 H new ATOM 0 HB3 ASP A 23 8.094 -5.796 12.587 1.00 60.23 H new ATOM 365 N GLY A 24 10.802 -6.982 11.260 1.00 43.14 N ATOM 366 CA GLY A 24 11.144 -7.732 10.069 1.00 4.40 C ATOM 367 C GLY A 24 10.101 -7.587 8.979 1.00 73.05 C ATOM 368 O GLY A 24 10.206 -8.213 7.924 1.00 64.53 O ATOM 0 H GLY A 24 11.066 -5.997 11.234 1.00 43.14 H new ATOM 0 HA2 GLY A 24 12.109 -7.392 9.693 1.00 4.40 H new ATOM 0 HA3 GLY A 24 11.255 -8.786 10.325 1.00 4.40 H new ATOM 372 N LYS A 25 9.098 -6.754 9.229 1.00 64.43 N ATOM 373 CA LYS A 25 8.046 -6.504 8.253 1.00 63.42 C ATOM 374 C LYS A 25 8.401 -5.306 7.386 1.00 52.05 C ATOM 375 O LYS A 25 9.081 -4.384 7.838 1.00 15.40 O ATOM 376 CB LYS A 25 6.701 -6.246 8.943 1.00 61.01 C ATOM 377 CG LYS A 25 6.125 -7.457 9.653 1.00 71.30 C ATOM 378 CD LYS A 25 4.714 -7.185 10.157 1.00 54.12 C ATOM 379 CE LYS A 25 4.082 -8.425 10.782 1.00 63.13 C ATOM 380 NZ LYS A 25 4.640 -8.727 12.128 1.00 14.20 N ATOM 0 H LYS A 25 8.992 -6.239 10.103 1.00 64.43 H new ATOM 0 HA LYS A 25 7.957 -7.394 7.629 1.00 63.42 H new ATOM 0 HB2 LYS A 25 6.825 -5.440 9.666 1.00 61.01 H new ATOM 0 HB3 LYS A 25 5.984 -5.900 8.199 1.00 61.01 H new ATOM 0 HG2 LYS A 25 6.112 -8.308 8.972 1.00 71.30 H new ATOM 0 HG3 LYS A 25 6.767 -7.729 10.491 1.00 71.30 H new ATOM 0 HD2 LYS A 25 4.740 -6.381 10.893 1.00 54.12 H new ATOM 0 HD3 LYS A 25 4.094 -6.840 9.330 1.00 54.12 H new ATOM 0 HE2 LYS A 25 3.005 -8.280 10.862 1.00 63.13 H new ATOM 0 HE3 LYS A 25 4.240 -9.281 10.125 1.00 63.13 H new ATOM 0 HZ1 LYS A 25 4.282 -9.648 12.454 1.00 14.20 H new ATOM 0 HZ2 LYS A 25 5.678 -8.759 12.074 1.00 14.20 H new ATOM 0 HZ3 LYS A 25 4.350 -7.986 12.798 1.00 14.20 H new ATOM 394 N LEU A 26 7.942 -5.324 6.145 1.00 34.34 N ATOM 395 CA LEU A 26 8.150 -4.206 5.233 1.00 71.11 C ATOM 396 C LEU A 26 7.195 -3.072 5.555 1.00 21.31 C ATOM 397 O LEU A 26 6.066 -3.300 5.985 1.00 42.43 O ATOM 398 CB LEU A 26 7.950 -4.649 3.780 1.00 20.44 C ATOM 399 CG LEU A 26 9.054 -5.533 3.204 1.00 2.02 C ATOM 400 CD1 LEU A 26 8.605 -6.150 1.893 1.00 71.23 C ATOM 401 CD2 LEU A 26 10.322 -4.723 2.995 1.00 40.45 C ATOM 0 H LEU A 26 7.421 -6.103 5.743 1.00 34.34 H new ATOM 0 HA LEU A 26 9.175 -3.856 5.358 1.00 71.11 H new ATOM 0 HB2 LEU A 26 7.004 -5.186 3.709 1.00 20.44 H new ATOM 0 HB3 LEU A 26 7.859 -3.760 3.157 1.00 20.44 H new ATOM 0 HG LEU A 26 9.263 -6.334 3.913 1.00 2.02 H new ATOM 0 HD11 LEU A 26 9.402 -6.777 1.494 1.00 71.23 H new ATOM 0 HD12 LEU A 26 7.716 -6.757 2.062 1.00 71.23 H new ATOM 0 HD13 LEU A 26 8.374 -5.359 1.179 1.00 71.23 H new ATOM 0 HD21 LEU A 26 11.101 -5.366 2.584 1.00 40.45 H new ATOM 0 HD22 LEU A 26 10.122 -3.906 2.301 1.00 40.45 H new ATOM 0 HD23 LEU A 26 10.655 -4.315 3.949 1.00 40.45 H new ATOM 413 N SER A 27 7.666 -1.852 5.391 1.00 74.11 N ATOM 414 CA SER A 27 6.822 -0.686 5.544 1.00 4.51 C ATOM 415 C SER A 27 7.219 0.369 4.521 1.00 54.54 C ATOM 416 O SER A 27 8.404 0.542 4.228 1.00 53.31 O ATOM 417 CB SER A 27 6.953 -0.134 6.966 1.00 72.23 C ATOM 418 OG SER A 27 6.759 -1.158 7.929 1.00 63.33 O ATOM 0 H SER A 27 8.635 -1.643 5.150 1.00 74.11 H new ATOM 0 HA SER A 27 5.782 -0.964 5.375 1.00 4.51 H new ATOM 0 HB2 SER A 27 7.939 0.312 7.097 1.00 72.23 H new ATOM 0 HB3 SER A 27 6.221 0.659 7.121 1.00 72.23 H new ATOM 0 HG SER A 27 6.849 -0.782 8.829 1.00 63.33 H new ATOM 424 N VAL A 28 6.233 1.060 3.975 1.00 75.01 N ATOM 425 CA VAL A 28 6.483 2.109 2.997 1.00 52.44 C ATOM 426 C VAL A 28 5.697 3.358 3.371 1.00 4.35 C ATOM 427 O VAL A 28 4.535 3.272 3.761 1.00 51.52 O ATOM 428 CB VAL A 28 6.107 1.647 1.564 1.00 53.44 C ATOM 429 CG1 VAL A 28 4.640 1.240 1.484 1.00 51.33 C ATOM 430 CG2 VAL A 28 6.420 2.726 0.531 1.00 20.21 C ATOM 0 H VAL A 28 5.247 0.914 4.193 1.00 75.01 H new ATOM 0 HA VAL A 28 7.549 2.336 3.004 1.00 52.44 H new ATOM 0 HB VAL A 28 6.717 0.773 1.334 1.00 53.44 H new ATOM 0 HG11 VAL A 28 4.406 0.921 0.468 1.00 51.33 H new ATOM 0 HG12 VAL A 28 4.452 0.418 2.175 1.00 51.33 H new ATOM 0 HG13 VAL A 28 4.012 2.090 1.752 1.00 51.33 H new ATOM 0 HG21 VAL A 28 6.145 2.370 -0.462 1.00 20.21 H new ATOM 0 HG22 VAL A 28 5.853 3.628 0.763 1.00 20.21 H new ATOM 0 HG23 VAL A 28 7.486 2.952 0.553 1.00 20.21 H new ATOM 440 N LYS A 29 6.326 4.516 3.259 1.00 4.44 N ATOM 441 CA LYS A 29 5.674 5.757 3.646 1.00 63.14 C ATOM 442 C LYS A 29 4.630 6.162 2.617 1.00 70.01 C ATOM 443 O LYS A 29 4.907 6.208 1.414 1.00 13.24 O ATOM 444 CB LYS A 29 6.700 6.870 3.858 1.00 2.42 C ATOM 445 CG LYS A 29 7.567 6.645 5.085 1.00 50.23 C ATOM 446 CD LYS A 29 8.547 7.782 5.303 1.00 52.24 C ATOM 447 CE LYS A 29 9.350 7.577 6.580 1.00 14.11 C ATOM 448 NZ LYS A 29 8.483 7.597 7.793 1.00 11.05 N ATOM 0 H LYS A 29 7.277 4.624 2.907 1.00 4.44 H new ATOM 0 HA LYS A 29 5.163 5.591 4.594 1.00 63.14 H new ATOM 0 HB2 LYS A 29 7.337 6.943 2.977 1.00 2.42 H new ATOM 0 HB3 LYS A 29 6.180 7.823 3.956 1.00 2.42 H new ATOM 0 HG2 LYS A 29 6.931 6.540 5.964 1.00 50.23 H new ATOM 0 HG3 LYS A 29 8.115 5.709 4.975 1.00 50.23 H new ATOM 0 HD2 LYS A 29 9.224 7.851 4.451 1.00 52.24 H new ATOM 0 HD3 LYS A 29 8.006 8.727 5.358 1.00 52.24 H new ATOM 0 HE2 LYS A 29 9.878 6.625 6.527 1.00 14.11 H new ATOM 0 HE3 LYS A 29 10.107 8.357 6.662 1.00 14.11 H new ATOM 0 HZ1 LYS A 29 9.078 7.573 8.646 1.00 11.05 H new ATOM 0 HZ2 LYS A 29 7.909 8.464 7.795 1.00 11.05 H new ATOM 0 HZ3 LYS A 29 7.856 6.767 7.785 1.00 11.05 H new ATOM 462 N PHE A 30 3.427 6.443 3.109 1.00 1.41 N ATOM 463 CA PHE A 30 2.284 6.760 2.262 1.00 23.02 C ATOM 464 C PHE A 30 2.578 7.928 1.331 1.00 64.44 C ATOM 465 O PHE A 30 2.214 7.890 0.160 1.00 43.44 O ATOM 466 CB PHE A 30 1.059 7.070 3.130 1.00 31.42 C ATOM 467 CG PHE A 30 -0.189 7.352 2.340 1.00 74.54 C ATOM 468 CD1 PHE A 30 -0.877 6.322 1.723 1.00 32.43 C ATOM 469 CD2 PHE A 30 -0.670 8.645 2.215 1.00 61.02 C ATOM 470 CE1 PHE A 30 -2.026 6.575 0.997 1.00 31.30 C ATOM 471 CE2 PHE A 30 -1.818 8.905 1.489 1.00 4.14 C ATOM 472 CZ PHE A 30 -2.495 7.870 0.878 1.00 74.24 C ATOM 0 H PHE A 30 3.218 6.457 4.107 1.00 1.41 H new ATOM 0 HA PHE A 30 2.077 5.888 1.641 1.00 23.02 H new ATOM 0 HB2 PHE A 30 0.874 6.227 3.795 1.00 31.42 H new ATOM 0 HB3 PHE A 30 1.281 7.931 3.761 1.00 31.42 H new ATOM 0 HD1 PHE A 30 -0.512 5.309 1.810 1.00 32.43 H new ATOM 0 HD2 PHE A 30 -0.143 9.459 2.690 1.00 61.02 H new ATOM 0 HE1 PHE A 30 -2.556 5.762 0.523 1.00 31.30 H new ATOM 0 HE2 PHE A 30 -2.184 9.917 1.401 1.00 4.14 H new ATOM 0 HZ PHE A 30 -3.390 8.071 0.308 1.00 74.24 H new ATOM 482 N GLY A 31 3.248 8.953 1.849 1.00 73.43 N ATOM 483 CA GLY A 31 3.567 10.120 1.042 1.00 53.35 C ATOM 484 C GLY A 31 4.386 9.771 -0.185 1.00 21.52 C ATOM 485 O GLY A 31 4.151 10.301 -1.269 1.00 12.53 O ATOM 0 H GLY A 31 3.576 8.997 2.814 1.00 73.43 H new ATOM 0 HA2 GLY A 31 2.642 10.607 0.731 1.00 53.35 H new ATOM 0 HA3 GLY A 31 4.117 10.839 1.650 1.00 53.35 H new ATOM 489 N VAL A 32 5.331 8.856 -0.019 1.00 74.53 N ATOM 490 CA VAL A 32 6.188 8.436 -1.115 1.00 35.21 C ATOM 491 C VAL A 32 5.397 7.604 -2.120 1.00 62.34 C ATOM 492 O VAL A 32 5.423 7.878 -3.320 1.00 20.43 O ATOM 493 CB VAL A 32 7.396 7.613 -0.605 1.00 31.11 C ATOM 494 CG1 VAL A 32 8.320 7.227 -1.753 1.00 2.34 C ATOM 495 CG2 VAL A 32 8.162 8.386 0.459 1.00 12.45 C ATOM 0 H VAL A 32 5.523 8.390 0.868 1.00 74.53 H new ATOM 0 HA VAL A 32 6.563 9.337 -1.601 1.00 35.21 H new ATOM 0 HB VAL A 32 7.012 6.696 -0.157 1.00 31.11 H new ATOM 0 HG11 VAL A 32 9.160 6.650 -1.366 1.00 2.34 H new ATOM 0 HG12 VAL A 32 7.770 6.626 -2.477 1.00 2.34 H new ATOM 0 HG13 VAL A 32 8.693 8.129 -2.239 1.00 2.34 H new ATOM 0 HG21 VAL A 32 9.007 7.790 0.804 1.00 12.45 H new ATOM 0 HG22 VAL A 32 8.527 9.322 0.037 1.00 12.45 H new ATOM 0 HG23 VAL A 32 7.502 8.600 1.299 1.00 12.45 H new ATOM 505 N LEU A 33 4.679 6.607 -1.619 1.00 73.34 N ATOM 506 CA LEU A 33 3.891 5.719 -2.466 1.00 44.53 C ATOM 507 C LEU A 33 2.801 6.501 -3.203 1.00 60.52 C ATOM 508 O LEU A 33 2.631 6.352 -4.413 1.00 51.44 O ATOM 509 CB LEU A 33 3.279 4.608 -1.599 1.00 33.55 C ATOM 510 CG LEU A 33 2.795 3.347 -2.336 1.00 62.21 C ATOM 511 CD1 LEU A 33 1.509 3.605 -3.105 1.00 1.12 C ATOM 512 CD2 LEU A 33 3.877 2.828 -3.270 1.00 4.54 C ATOM 0 H LEU A 33 4.626 6.392 -0.623 1.00 73.34 H new ATOM 0 HA LEU A 33 4.538 5.269 -3.219 1.00 44.53 H new ATOM 0 HB2 LEU A 33 4.020 4.307 -0.859 1.00 33.55 H new ATOM 0 HB3 LEU A 33 2.435 5.028 -1.052 1.00 33.55 H new ATOM 0 HG LEU A 33 2.584 2.587 -1.584 1.00 62.21 H new ATOM 0 HD11 LEU A 33 1.199 2.691 -3.612 1.00 1.12 H new ATOM 0 HD12 LEU A 33 0.728 3.919 -2.413 1.00 1.12 H new ATOM 0 HD13 LEU A 33 1.677 4.390 -3.842 1.00 1.12 H new ATOM 0 HD21 LEU A 33 3.518 1.936 -3.783 1.00 4.54 H new ATOM 0 HD22 LEU A 33 4.122 3.595 -4.005 1.00 4.54 H new ATOM 0 HD23 LEU A 33 4.768 2.580 -2.693 1.00 4.54 H new ATOM 524 N PHE A 34 2.093 7.356 -2.473 1.00 22.51 N ATOM 525 CA PHE A 34 0.998 8.139 -3.041 1.00 22.02 C ATOM 526 C PHE A 34 1.509 9.074 -4.130 1.00 74.53 C ATOM 527 O PHE A 34 0.952 9.132 -5.225 1.00 23.13 O ATOM 528 CB PHE A 34 0.298 8.943 -1.937 1.00 63.52 C ATOM 529 CG PHE A 34 -0.791 9.861 -2.430 1.00 0.33 C ATOM 530 CD1 PHE A 34 -2.051 9.368 -2.727 1.00 62.43 C ATOM 531 CD2 PHE A 34 -0.553 11.219 -2.588 1.00 22.32 C ATOM 532 CE1 PHE A 34 -3.054 10.211 -3.173 1.00 60.21 C ATOM 533 CE2 PHE A 34 -1.552 12.065 -3.035 1.00 71.41 C ATOM 534 CZ PHE A 34 -2.803 11.560 -3.328 1.00 2.20 C ATOM 0 H PHE A 34 2.258 7.526 -1.481 1.00 22.51 H new ATOM 0 HA PHE A 34 0.280 7.452 -3.490 1.00 22.02 H new ATOM 0 HB2 PHE A 34 -0.129 8.248 -1.214 1.00 63.52 H new ATOM 0 HB3 PHE A 34 1.044 9.536 -1.408 1.00 63.52 H new ATOM 0 HD1 PHE A 34 -2.253 8.314 -2.609 1.00 62.43 H new ATOM 0 HD2 PHE A 34 0.423 11.620 -2.359 1.00 22.32 H new ATOM 0 HE1 PHE A 34 -4.032 9.814 -3.400 1.00 60.21 H new ATOM 0 HE2 PHE A 34 -1.353 13.120 -3.155 1.00 71.41 H new ATOM 0 HZ PHE A 34 -3.584 12.219 -3.678 1.00 2.20 H new ATOM 544 N ARG A 35 2.581 9.791 -3.827 1.00 32.22 N ATOM 545 CA ARG A 35 3.131 10.768 -4.754 1.00 13.23 C ATOM 546 C ARG A 35 3.715 10.074 -5.981 1.00 63.42 C ATOM 547 O ARG A 35 3.620 10.586 -7.098 1.00 13.10 O ATOM 548 CB ARG A 35 4.190 11.611 -4.046 1.00 21.32 C ATOM 549 CG ARG A 35 4.650 12.826 -4.834 1.00 21.30 C ATOM 550 CD ARG A 35 5.276 13.864 -3.914 1.00 65.53 C ATOM 551 NE ARG A 35 4.302 14.382 -2.949 1.00 4.31 N ATOM 552 CZ ARG A 35 4.359 14.164 -1.633 1.00 2.22 C ATOM 553 NH1 ARG A 35 5.352 13.462 -1.102 1.00 44.23 N ATOM 554 NH2 ARG A 35 3.410 14.646 -0.847 1.00 34.41 N ATOM 0 H ARG A 35 3.088 9.714 -2.945 1.00 32.22 H new ATOM 0 HA ARG A 35 2.331 11.426 -5.094 1.00 13.23 H new ATOM 0 HB2 ARG A 35 3.792 11.943 -3.087 1.00 21.32 H new ATOM 0 HB3 ARG A 35 5.054 10.983 -3.832 1.00 21.32 H new ATOM 0 HG2 ARG A 35 5.373 12.521 -5.591 1.00 21.30 H new ATOM 0 HG3 ARG A 35 3.803 13.265 -5.361 1.00 21.30 H new ATOM 0 HD2 ARG A 35 6.117 13.420 -3.381 1.00 65.53 H new ATOM 0 HD3 ARG A 35 5.674 14.686 -4.509 1.00 65.53 H new ATOM 0 HE ARG A 35 3.530 14.946 -3.306 1.00 4.31 H new ATOM 0 HH11 ARG A 35 6.085 13.081 -1.701 1.00 44.23 H new ATOM 0 HH12 ARG A 35 5.383 13.303 -0.095 1.00 44.23 H new ATOM 0 HH21 ARG A 35 2.639 15.181 -1.247 1.00 34.41 H new ATOM 0 HH22 ARG A 35 3.449 14.482 0.159 1.00 34.41 H new ATOM 568 N ASP A 36 4.294 8.899 -5.771 1.00 41.15 N ATOM 569 CA ASP A 36 4.852 8.115 -6.868 1.00 2.20 C ATOM 570 C ASP A 36 3.732 7.587 -7.757 1.00 63.52 C ATOM 571 O ASP A 36 3.757 7.761 -8.977 1.00 62.13 O ATOM 572 CB ASP A 36 5.686 6.949 -6.333 1.00 72.33 C ATOM 573 CG ASP A 36 6.527 6.291 -7.409 1.00 50.42 C ATOM 574 OD1 ASP A 36 6.022 5.394 -8.110 1.00 54.24 O ATOM 575 OD2 ASP A 36 7.709 6.671 -7.549 1.00 42.14 O ATOM 0 H ASP A 36 4.390 8.467 -4.852 1.00 41.15 H new ATOM 0 HA ASP A 36 5.501 8.763 -7.456 1.00 2.20 H new ATOM 0 HB2 ASP A 36 6.338 7.309 -5.537 1.00 72.33 H new ATOM 0 HB3 ASP A 36 5.023 6.206 -5.890 1.00 72.33 H new ATOM 580 N ASP A 37 2.736 6.969 -7.130 1.00 14.20 N ATOM 581 CA ASP A 37 1.589 6.428 -7.850 1.00 45.02 C ATOM 582 C ASP A 37 0.862 7.507 -8.633 1.00 40.50 C ATOM 583 O ASP A 37 0.525 7.313 -9.788 1.00 2.44 O ATOM 584 CB ASP A 37 0.603 5.747 -6.902 1.00 2.50 C ATOM 585 CG ASP A 37 -0.752 5.545 -7.551 1.00 14.34 C ATOM 586 OD1 ASP A 37 -0.854 4.708 -8.476 1.00 72.42 O ATOM 587 OD2 ASP A 37 -1.707 6.253 -7.164 1.00 73.10 O ATOM 0 H ASP A 37 2.701 6.830 -6.120 1.00 14.20 H new ATOM 0 HA ASP A 37 1.982 5.688 -8.547 1.00 45.02 H new ATOM 0 HB2 ASP A 37 1.005 4.783 -6.591 1.00 2.50 H new ATOM 0 HB3 ASP A 37 0.489 6.350 -6.001 1.00 2.50 H new ATOM 592 N LYS A 38 0.634 8.652 -8.018 1.00 3.52 N ATOM 593 CA LYS A 38 -0.082 9.726 -8.693 1.00 23.31 C ATOM 594 C LYS A 38 0.724 10.286 -9.864 1.00 13.23 C ATOM 595 O LYS A 38 0.169 10.913 -10.759 1.00 14.02 O ATOM 596 CB LYS A 38 -0.448 10.829 -7.705 1.00 71.51 C ATOM 597 CG LYS A 38 -1.544 10.431 -6.718 1.00 54.22 C ATOM 598 CD LYS A 38 -2.944 10.527 -7.326 1.00 21.11 C ATOM 599 CE LYS A 38 -3.218 9.443 -8.365 1.00 32.40 C ATOM 600 NZ LYS A 38 -3.414 8.096 -7.757 1.00 33.55 N ATOM 0 H LYS A 38 0.928 8.864 -7.065 1.00 3.52 H new ATOM 0 HA LYS A 38 -1.003 9.309 -9.101 1.00 23.31 H new ATOM 0 HB2 LYS A 38 0.444 11.116 -7.148 1.00 71.51 H new ATOM 0 HB3 LYS A 38 -0.773 11.709 -8.260 1.00 71.51 H new ATOM 0 HG2 LYS A 38 -1.369 9.410 -6.378 1.00 54.22 H new ATOM 0 HG3 LYS A 38 -1.488 11.074 -5.840 1.00 54.22 H new ATOM 0 HD2 LYS A 38 -3.685 10.456 -6.530 1.00 21.11 H new ATOM 0 HD3 LYS A 38 -3.067 11.506 -7.789 1.00 21.11 H new ATOM 0 HE2 LYS A 38 -4.106 9.711 -8.937 1.00 32.40 H new ATOM 0 HE3 LYS A 38 -2.386 9.402 -9.068 1.00 32.40 H new ATOM 0 HZ1 LYS A 38 -4.085 7.549 -8.333 1.00 33.55 H new ATOM 0 HZ2 LYS A 38 -2.503 7.596 -7.720 1.00 33.55 H new ATOM 0 HZ3 LYS A 38 -3.791 8.202 -6.793 1.00 33.55 H new ATOM 614 N SER A 39 2.028 10.043 -9.862 1.00 45.14 N ATOM 615 CA SER A 39 2.885 10.476 -10.958 1.00 1.54 C ATOM 616 C SER A 39 2.944 9.417 -12.065 1.00 12.30 C ATOM 617 O SER A 39 3.027 9.742 -13.250 1.00 25.42 O ATOM 618 CB SER A 39 4.292 10.782 -10.440 1.00 71.24 C ATOM 619 OG SER A 39 4.250 11.743 -9.393 1.00 55.31 O ATOM 0 H SER A 39 2.515 9.549 -9.114 1.00 45.14 H new ATOM 0 HA SER A 39 2.459 11.385 -11.383 1.00 1.54 H new ATOM 0 HB2 SER A 39 4.758 9.865 -10.079 1.00 71.24 H new ATOM 0 HB3 SER A 39 4.911 11.154 -11.256 1.00 71.24 H new ATOM 0 HG SER A 39 3.862 11.336 -8.590 1.00 55.31 H new ATOM 625 N ALA A 40 2.899 8.147 -11.678 1.00 64.30 N ATOM 626 CA ALA A 40 3.020 7.046 -12.634 1.00 12.14 C ATOM 627 C ALA A 40 1.658 6.525 -13.089 1.00 1.42 C ATOM 628 O ALA A 40 1.510 6.061 -14.217 1.00 11.24 O ATOM 629 CB ALA A 40 3.826 5.911 -12.023 1.00 52.33 C ATOM 0 H ALA A 40 2.780 7.852 -10.709 1.00 64.30 H new ATOM 0 HA ALA A 40 3.535 7.435 -13.512 1.00 12.14 H new ATOM 0 HB1 ALA A 40 3.910 5.096 -12.742 1.00 52.33 H new ATOM 0 HB2 ALA A 40 4.822 6.270 -11.763 1.00 52.33 H new ATOM 0 HB3 ALA A 40 3.325 5.551 -11.125 1.00 52.33 H new ATOM 635 N ASN A 41 0.675 6.624 -12.203 1.00 24.22 N ATOM 636 CA ASN A 41 -0.662 6.056 -12.408 1.00 24.33 C ATOM 637 C ASN A 41 -0.591 4.541 -12.405 1.00 31.31 C ATOM 638 O ASN A 41 -0.914 3.879 -13.394 1.00 42.51 O ATOM 639 CB ASN A 41 -1.334 6.565 -13.690 1.00 1.20 C ATOM 640 CG ASN A 41 -1.934 7.949 -13.530 1.00 44.11 C ATOM 641 OD1 ASN A 41 -1.306 8.787 -12.717 1.00 1.34 O flip ATOM 642 ND2 ASN A 41 -2.958 8.264 -14.134 1.00 2.41 N flip ATOM 0 H ASN A 41 0.780 7.105 -11.310 1.00 24.22 H new ATOM 0 HA ASN A 41 -1.284 6.391 -11.578 1.00 24.33 H new ATOM 0 HB2 ASN A 41 -0.601 6.583 -14.496 1.00 1.20 H new ATOM 0 HB3 ASN A 41 -2.117 5.867 -13.986 1.00 1.20 H new ATOM 0 HD21 ASN A 41 -3.413 7.592 -14.751 1.00 2.41 H new ATOM 0 HD22 ASN A 41 -3.352 9.198 -14.018 1.00 2.41 H new ATOM 649 N LEU A 42 -0.132 4.006 -11.285 1.00 31.44 N ATOM 650 CA LEU A 42 0.028 2.574 -11.128 1.00 32.44 C ATOM 651 C LEU A 42 -1.302 1.931 -10.762 1.00 4.50 C ATOM 652 O LEU A 42 -1.723 0.950 -11.377 1.00 21.33 O ATOM 653 CB LEU A 42 1.067 2.284 -10.041 1.00 41.22 C ATOM 654 CG LEU A 42 2.445 2.908 -10.274 1.00 25.22 C ATOM 655 CD1 LEU A 42 3.361 2.631 -9.093 1.00 74.14 C ATOM 656 CD2 LEU A 42 3.057 2.376 -11.562 1.00 0.15 C ATOM 0 H LEU A 42 0.138 4.550 -10.466 1.00 31.44 H new ATOM 0 HA LEU A 42 0.371 2.152 -12.073 1.00 32.44 H new ATOM 0 HB2 LEU A 42 0.680 2.642 -9.087 1.00 41.22 H new ATOM 0 HB3 LEU A 42 1.185 1.204 -9.952 1.00 41.22 H new ATOM 0 HG LEU A 42 2.325 3.987 -10.369 1.00 25.22 H new ATOM 0 HD11 LEU A 42 4.336 3.082 -9.276 1.00 74.14 H new ATOM 0 HD12 LEU A 42 2.928 3.058 -8.188 1.00 74.14 H new ATOM 0 HD13 LEU A 42 3.477 1.555 -8.967 1.00 74.14 H new ATOM 0 HD21 LEU A 42 4.037 2.829 -11.714 1.00 0.15 H new ATOM 0 HD22 LEU A 42 3.165 1.293 -11.494 1.00 0.15 H new ATOM 0 HD23 LEU A 42 2.409 2.624 -12.402 1.00 0.15 H new ATOM 668 N PHE A 43 -1.963 2.506 -9.767 1.00 75.13 N ATOM 669 CA PHE A 43 -3.221 1.971 -9.272 1.00 63.03 C ATOM 670 C PHE A 43 -4.389 2.765 -9.834 1.00 53.41 C ATOM 671 O PHE A 43 -4.428 3.992 -9.718 1.00 51.50 O ATOM 672 CB PHE A 43 -3.255 2.026 -7.742 1.00 61.12 C ATOM 673 CG PHE A 43 -2.050 1.412 -7.083 1.00 25.44 C ATOM 674 CD1 PHE A 43 -1.920 0.039 -6.984 1.00 60.12 C ATOM 675 CD2 PHE A 43 -1.050 2.214 -6.555 1.00 53.41 C ATOM 676 CE1 PHE A 43 -0.815 -0.522 -6.373 1.00 35.45 C ATOM 677 CE2 PHE A 43 0.057 1.657 -5.944 1.00 14.35 C ATOM 678 CZ PHE A 43 0.175 0.287 -5.854 1.00 64.30 C ATOM 0 H PHE A 43 -1.646 3.347 -9.285 1.00 75.13 H new ATOM 0 HA PHE A 43 -3.305 0.934 -9.596 1.00 63.03 H new ATOM 0 HB2 PHE A 43 -3.338 3.066 -7.427 1.00 61.12 H new ATOM 0 HB3 PHE A 43 -4.150 1.514 -7.390 1.00 61.12 H new ATOM 0 HD1 PHE A 43 -2.690 -0.601 -7.388 1.00 60.12 H new ATOM 0 HD2 PHE A 43 -1.137 3.288 -6.622 1.00 53.41 H new ATOM 0 HE1 PHE A 43 -0.726 -1.596 -6.301 1.00 35.45 H new ATOM 0 HE2 PHE A 43 0.828 2.294 -5.538 1.00 14.35 H new ATOM 0 HZ PHE A 43 1.040 -0.152 -5.379 1.00 64.30 H new ATOM 688 N GLU A 44 -5.335 2.073 -10.454 1.00 13.43 N ATOM 689 CA GLU A 44 -6.531 2.727 -10.963 1.00 55.32 C ATOM 690 C GLU A 44 -7.414 3.135 -9.791 1.00 1.33 C ATOM 691 O GLU A 44 -8.083 4.173 -9.813 1.00 72.23 O ATOM 692 CB GLU A 44 -7.291 1.808 -11.918 1.00 1.03 C ATOM 693 CG GLU A 44 -8.459 2.491 -12.614 1.00 44.32 C ATOM 694 CD GLU A 44 -9.116 1.616 -13.659 1.00 11.42 C ATOM 695 OE1 GLU A 44 -8.522 1.434 -14.740 1.00 74.33 O ATOM 696 OE2 GLU A 44 -10.235 1.123 -13.410 1.00 65.04 O ATOM 0 H GLU A 44 -5.298 1.067 -10.616 1.00 13.43 H new ATOM 0 HA GLU A 44 -6.241 3.616 -11.524 1.00 55.32 H new ATOM 0 HB2 GLU A 44 -6.601 1.428 -12.671 1.00 1.03 H new ATOM 0 HB3 GLU A 44 -7.662 0.947 -11.363 1.00 1.03 H new ATOM 0 HG2 GLU A 44 -9.201 2.778 -11.869 1.00 44.32 H new ATOM 0 HG3 GLU A 44 -8.108 3.409 -13.085 1.00 44.32 H new ATOM 703 N ALA A 45 -7.391 2.315 -8.754 1.00 41.01 N ATOM 704 CA ALA A 45 -8.110 2.607 -7.531 1.00 32.22 C ATOM 705 C ALA A 45 -7.194 2.416 -6.331 1.00 74.35 C ATOM 706 O ALA A 45 -7.177 1.351 -5.716 1.00 23.53 O ATOM 707 CB ALA A 45 -9.348 1.728 -7.411 1.00 5.13 C ATOM 0 H ALA A 45 -6.876 1.434 -8.738 1.00 41.01 H new ATOM 0 HA ALA A 45 -8.438 3.646 -7.557 1.00 32.22 H new ATOM 0 HB1 ALA A 45 -9.873 1.964 -6.485 1.00 5.13 H new ATOM 0 HB2 ALA A 45 -10.008 1.911 -8.259 1.00 5.13 H new ATOM 0 HB3 ALA A 45 -9.050 0.679 -7.402 1.00 5.13 H new ATOM 713 N LEU A 46 -6.419 3.447 -6.019 1.00 3.21 N ATOM 714 CA LEU A 46 -5.456 3.386 -4.923 1.00 14.32 C ATOM 715 C LEU A 46 -6.154 3.086 -3.601 1.00 44.11 C ATOM 716 O LEU A 46 -5.740 2.197 -2.858 1.00 1.33 O ATOM 717 CB LEU A 46 -4.678 4.702 -4.827 1.00 21.31 C ATOM 718 CG LEU A 46 -3.671 4.789 -3.677 1.00 53.12 C ATOM 719 CD1 LEU A 46 -2.618 3.700 -3.802 1.00 53.10 C ATOM 720 CD2 LEU A 46 -3.017 6.159 -3.654 1.00 35.03 C ATOM 0 H LEU A 46 -6.438 4.340 -6.511 1.00 3.21 H new ATOM 0 HA LEU A 46 -4.756 2.577 -5.129 1.00 14.32 H new ATOM 0 HB2 LEU A 46 -4.146 4.859 -5.765 1.00 21.31 H new ATOM 0 HB3 LEU A 46 -5.392 5.519 -4.725 1.00 21.31 H new ATOM 0 HG LEU A 46 -4.205 4.641 -2.739 1.00 53.12 H new ATOM 0 HD11 LEU A 46 -1.912 3.780 -2.975 1.00 53.10 H new ATOM 0 HD12 LEU A 46 -3.100 2.723 -3.775 1.00 53.10 H new ATOM 0 HD13 LEU A 46 -2.085 3.816 -4.746 1.00 53.10 H new ATOM 0 HD21 LEU A 46 -2.303 6.208 -2.832 1.00 35.03 H new ATOM 0 HD22 LEU A 46 -2.497 6.330 -4.597 1.00 35.03 H new ATOM 0 HD23 LEU A 46 -3.781 6.925 -3.517 1.00 35.03 H new ATOM 732 N VAL A 47 -7.225 3.821 -3.327 1.00 3.45 N ATOM 733 CA VAL A 47 -7.999 3.629 -2.107 1.00 72.42 C ATOM 734 C VAL A 47 -8.577 2.216 -2.053 1.00 61.20 C ATOM 735 O VAL A 47 -8.517 1.551 -1.018 1.00 75.53 O ATOM 736 CB VAL A 47 -9.147 4.657 -1.997 1.00 4.35 C ATOM 737 CG1 VAL A 47 -9.937 4.458 -0.713 1.00 40.35 C ATOM 738 CG2 VAL A 47 -8.605 6.077 -2.072 1.00 3.24 C ATOM 0 H VAL A 47 -7.578 4.559 -3.936 1.00 3.45 H new ATOM 0 HA VAL A 47 -7.320 3.776 -1.267 1.00 72.42 H new ATOM 0 HB VAL A 47 -9.821 4.498 -2.839 1.00 4.35 H new ATOM 0 HG11 VAL A 47 -10.739 5.195 -0.661 1.00 40.35 H new ATOM 0 HG12 VAL A 47 -10.364 3.455 -0.700 1.00 40.35 H new ATOM 0 HG13 VAL A 47 -9.275 4.581 0.144 1.00 40.35 H new ATOM 0 HG21 VAL A 47 -9.429 6.786 -1.993 1.00 3.24 H new ATOM 0 HG22 VAL A 47 -7.904 6.243 -1.254 1.00 3.24 H new ATOM 0 HG23 VAL A 47 -8.093 6.221 -3.023 1.00 3.24 H new ATOM 748 N GLY A 48 -9.121 1.761 -3.180 1.00 53.52 N ATOM 749 CA GLY A 48 -9.655 0.412 -3.261 1.00 33.24 C ATOM 750 C GLY A 48 -8.593 -0.640 -3.006 1.00 35.42 C ATOM 751 O GLY A 48 -8.849 -1.646 -2.343 1.00 11.15 O ATOM 0 H GLY A 48 -9.201 2.304 -4.040 1.00 53.52 H new ATOM 0 HA2 GLY A 48 -10.460 0.297 -2.535 1.00 33.24 H new ATOM 0 HA3 GLY A 48 -10.091 0.254 -4.247 1.00 33.24 H new ATOM 755 N THR A 49 -7.398 -0.396 -3.530 1.00 23.04 N ATOM 756 CA THR A 49 -6.267 -1.290 -3.339 1.00 63.32 C ATOM 757 C THR A 49 -5.888 -1.367 -1.858 1.00 65.31 C ATOM 758 O THR A 49 -5.678 -2.454 -1.309 1.00 75.22 O ATOM 759 CB THR A 49 -5.051 -0.805 -4.155 1.00 42.24 C ATOM 760 OG1 THR A 49 -5.424 -0.619 -5.525 1.00 62.01 O ATOM 761 CG2 THR A 49 -3.908 -1.801 -4.083 1.00 33.13 C ATOM 0 H THR A 49 -7.188 0.425 -4.097 1.00 23.04 H new ATOM 0 HA THR A 49 -6.558 -2.282 -3.686 1.00 63.32 H new ATOM 0 HB THR A 49 -4.718 0.141 -3.727 1.00 42.24 H new ATOM 0 HG1 THR A 49 -5.790 0.282 -5.645 1.00 62.01 H new ATOM 0 HG21 THR A 49 -3.066 -1.431 -4.668 1.00 33.13 H new ATOM 0 HG22 THR A 49 -3.601 -1.928 -3.045 1.00 33.13 H new ATOM 0 HG23 THR A 49 -4.235 -2.760 -4.485 1.00 33.13 H new ATOM 769 N LEU A 50 -5.823 -0.202 -1.218 1.00 70.12 N ATOM 770 CA LEU A 50 -5.487 -0.112 0.198 1.00 51.15 C ATOM 771 C LEU A 50 -6.501 -0.867 1.050 1.00 32.44 C ATOM 772 O LEU A 50 -6.130 -1.632 1.940 1.00 21.54 O ATOM 773 CB LEU A 50 -5.431 1.354 0.638 1.00 54.03 C ATOM 774 CG LEU A 50 -4.323 2.191 -0.007 1.00 31.43 C ATOM 775 CD1 LEU A 50 -4.417 3.636 0.454 1.00 1.35 C ATOM 776 CD2 LEU A 50 -2.954 1.613 0.325 1.00 21.15 C ATOM 0 H LEU A 50 -6.000 0.698 -1.663 1.00 70.12 H new ATOM 0 HA LEU A 50 -4.507 -0.568 0.341 1.00 51.15 H new ATOM 0 HB2 LEU A 50 -6.391 1.820 0.415 1.00 54.03 H new ATOM 0 HB3 LEU A 50 -5.304 1.386 1.720 1.00 54.03 H new ATOM 0 HG LEU A 50 -4.453 2.163 -1.089 1.00 31.43 H new ATOM 0 HD11 LEU A 50 -3.623 4.219 -0.013 1.00 1.35 H new ATOM 0 HD12 LEU A 50 -5.385 4.047 0.168 1.00 1.35 H new ATOM 0 HD13 LEU A 50 -4.310 3.680 1.538 1.00 1.35 H new ATOM 0 HD21 LEU A 50 -2.179 2.221 -0.142 1.00 21.15 H new ATOM 0 HD22 LEU A 50 -2.812 1.612 1.406 1.00 21.15 H new ATOM 0 HD23 LEU A 50 -2.889 0.592 -0.051 1.00 21.15 H new ATOM 788 N LYS A 51 -7.780 -0.660 0.764 1.00 42.34 N ATOM 789 CA LYS A 51 -8.850 -1.312 1.508 1.00 72.12 C ATOM 790 C LYS A 51 -8.811 -2.824 1.342 1.00 21.12 C ATOM 791 O LYS A 51 -8.961 -3.566 2.314 1.00 43.13 O ATOM 792 CB LYS A 51 -10.213 -0.777 1.072 1.00 44.13 C ATOM 793 CG LYS A 51 -10.734 0.332 1.964 1.00 11.02 C ATOM 794 CD LYS A 51 -9.866 1.575 1.895 1.00 72.55 C ATOM 795 CE LYS A 51 -10.068 2.453 3.115 1.00 45.01 C ATOM 796 NZ LYS A 51 -11.499 2.799 3.333 1.00 54.31 N ATOM 0 H LYS A 51 -8.103 -0.043 0.019 1.00 42.34 H new ATOM 0 HA LYS A 51 -8.696 -1.084 2.563 1.00 72.12 H new ATOM 0 HB2 LYS A 51 -10.140 -0.407 0.049 1.00 44.13 H new ATOM 0 HB3 LYS A 51 -10.932 -1.596 1.065 1.00 44.13 H new ATOM 0 HG2 LYS A 51 -11.753 0.585 1.670 1.00 11.02 H new ATOM 0 HG3 LYS A 51 -10.778 -0.022 2.994 1.00 11.02 H new ATOM 0 HD2 LYS A 51 -8.818 1.286 1.821 1.00 72.55 H new ATOM 0 HD3 LYS A 51 -10.105 2.139 0.994 1.00 72.55 H new ATOM 0 HE2 LYS A 51 -9.682 1.940 3.996 1.00 45.01 H new ATOM 0 HE3 LYS A 51 -9.489 3.369 3.000 1.00 45.01 H new ATOM 0 HZ1 LYS A 51 -11.571 3.531 4.069 1.00 54.31 H new ATOM 0 HZ2 LYS A 51 -11.908 3.158 2.447 1.00 54.31 H new ATOM 0 HZ3 LYS A 51 -12.019 1.951 3.636 1.00 54.31 H new ATOM 810 N ALA A 52 -8.606 -3.266 0.111 1.00 5.04 N ATOM 811 CA ALA A 52 -8.539 -4.687 -0.199 1.00 71.34 C ATOM 812 C ALA A 52 -7.482 -5.382 0.648 1.00 21.54 C ATOM 813 O ALA A 52 -7.758 -6.375 1.320 1.00 73.53 O ATOM 814 CB ALA A 52 -8.238 -4.884 -1.675 1.00 3.11 C ATOM 0 H ALA A 52 -8.482 -2.655 -0.697 1.00 5.04 H new ATOM 0 HA ALA A 52 -9.507 -5.133 0.032 1.00 71.34 H new ATOM 0 HB1 ALA A 52 -8.190 -5.950 -1.897 1.00 3.11 H new ATOM 0 HB2 ALA A 52 -9.026 -4.424 -2.272 1.00 3.11 H new ATOM 0 HB3 ALA A 52 -7.282 -4.419 -1.917 1.00 3.11 H new ATOM 820 N ALA A 53 -6.278 -4.836 0.632 1.00 62.23 N ATOM 821 CA ALA A 53 -5.162 -5.441 1.336 1.00 44.13 C ATOM 822 C ALA A 53 -5.300 -5.277 2.846 1.00 45.34 C ATOM 823 O ALA A 53 -4.886 -6.152 3.604 1.00 2.44 O ATOM 824 CB ALA A 53 -3.850 -4.851 0.848 1.00 42.20 C ATOM 0 H ALA A 53 -6.049 -3.973 0.138 1.00 62.23 H new ATOM 0 HA ALA A 53 -5.167 -6.510 1.121 1.00 44.13 H new ATOM 0 HB1 ALA A 53 -3.021 -5.313 1.384 1.00 42.20 H new ATOM 0 HB2 ALA A 53 -3.741 -5.039 -0.220 1.00 42.20 H new ATOM 0 HB3 ALA A 53 -3.845 -3.776 1.029 1.00 42.20 H new ATOM 830 N LYS A 54 -5.884 -4.170 3.287 1.00 33.23 N ATOM 831 CA LYS A 54 -6.078 -3.943 4.715 1.00 74.45 C ATOM 832 C LYS A 54 -7.074 -4.952 5.285 1.00 43.21 C ATOM 833 O LYS A 54 -6.898 -5.459 6.394 1.00 62.32 O ATOM 834 CB LYS A 54 -6.559 -2.510 4.985 1.00 71.31 C ATOM 835 CG LYS A 54 -6.667 -2.179 6.467 1.00 71.11 C ATOM 836 CD LYS A 54 -7.087 -0.736 6.697 1.00 64.33 C ATOM 837 CE LYS A 54 -7.206 -0.423 8.183 1.00 71.25 C ATOM 838 NZ LYS A 54 -7.618 0.984 8.431 1.00 2.55 N ATOM 0 H LYS A 54 -6.229 -3.422 2.685 1.00 33.23 H new ATOM 0 HA LYS A 54 -5.117 -4.078 5.212 1.00 74.45 H new ATOM 0 HB2 LYS A 54 -5.871 -1.809 4.513 1.00 71.31 H new ATOM 0 HB3 LYS A 54 -7.533 -2.367 4.516 1.00 71.31 H new ATOM 0 HG2 LYS A 54 -7.390 -2.847 6.936 1.00 71.11 H new ATOM 0 HG3 LYS A 54 -5.707 -2.359 6.950 1.00 71.11 H new ATOM 0 HD2 LYS A 54 -6.359 -0.066 6.239 1.00 64.33 H new ATOM 0 HD3 LYS A 54 -8.043 -0.551 6.207 1.00 64.33 H new ATOM 0 HE2 LYS A 54 -7.932 -1.097 8.637 1.00 71.25 H new ATOM 0 HE3 LYS A 54 -6.249 -0.610 8.670 1.00 71.25 H new ATOM 0 HZ1 LYS A 54 -8.271 1.017 9.239 1.00 2.55 H new ATOM 0 HZ2 LYS A 54 -6.778 1.560 8.641 1.00 2.55 H new ATOM 0 HZ3 LYS A 54 -8.093 1.361 7.586 1.00 2.55 H new ATOM 852 N ARG A 55 -8.109 -5.260 4.514 1.00 4.52 N ATOM 853 CA ARG A 55 -9.114 -6.224 4.946 1.00 51.11 C ATOM 854 C ARG A 55 -8.604 -7.657 4.831 1.00 15.31 C ATOM 855 O ARG A 55 -9.114 -8.559 5.496 1.00 63.35 O ATOM 856 CB ARG A 55 -10.411 -6.053 4.154 1.00 72.30 C ATOM 857 CG ARG A 55 -11.279 -4.906 4.656 1.00 24.42 C ATOM 858 CD ARG A 55 -11.592 -5.074 6.135 1.00 1.42 C ATOM 859 NE ARG A 55 -12.589 -4.116 6.613 1.00 42.24 N ATOM 860 CZ ARG A 55 -12.607 -3.624 7.854 1.00 13.55 C ATOM 861 NH1 ARG A 55 -11.616 -3.899 8.694 1.00 64.01 N ATOM 862 NH2 ARG A 55 -13.600 -2.836 8.246 1.00 61.11 N ATOM 0 H ARG A 55 -8.275 -4.859 3.591 1.00 4.52 H new ATOM 0 HA ARG A 55 -9.322 -6.027 5.998 1.00 51.11 H new ATOM 0 HB2 ARG A 55 -10.168 -5.883 3.105 1.00 72.30 H new ATOM 0 HB3 ARG A 55 -10.983 -6.980 4.203 1.00 72.30 H new ATOM 0 HG2 ARG A 55 -10.767 -3.958 4.493 1.00 24.42 H new ATOM 0 HG3 ARG A 55 -12.207 -4.869 4.085 1.00 24.42 H new ATOM 0 HD2 ARG A 55 -11.953 -6.087 6.313 1.00 1.42 H new ATOM 0 HD3 ARG A 55 -10.675 -4.956 6.712 1.00 1.42 H new ATOM 0 HE ARG A 55 -13.311 -3.807 5.962 1.00 42.24 H new ATOM 0 HH11 ARG A 55 -10.839 -4.487 8.391 1.00 64.01 H new ATOM 0 HH12 ARG A 55 -11.631 -3.522 9.642 1.00 64.01 H new ATOM 0 HH21 ARG A 55 -14.353 -2.604 7.598 1.00 61.11 H new ATOM 0 HH22 ARG A 55 -13.610 -2.462 9.195 1.00 61.11 H new ATOM 876 N ARG A 56 -7.592 -7.868 4.000 1.00 41.13 N ATOM 877 CA ARG A 56 -6.979 -9.186 3.872 1.00 63.42 C ATOM 878 C ARG A 56 -5.862 -9.365 4.889 1.00 52.15 C ATOM 879 O ARG A 56 -5.233 -10.424 4.950 1.00 1.31 O ATOM 880 CB ARG A 56 -6.411 -9.397 2.473 1.00 61.11 C ATOM 881 CG ARG A 56 -7.452 -9.443 1.376 1.00 75.42 C ATOM 882 CD ARG A 56 -6.818 -9.733 0.027 1.00 12.41 C ATOM 883 NE ARG A 56 -7.807 -9.677 -1.050 1.00 4.42 N ATOM 884 CZ ARG A 56 -7.530 -9.846 -2.343 1.00 2.43 C ATOM 885 NH1 ARG A 56 -6.292 -10.107 -2.741 1.00 0.51 N ATOM 886 NH2 ARG A 56 -8.504 -9.762 -3.244 1.00 51.35 N ATOM 0 H ARG A 56 -7.179 -7.148 3.407 1.00 41.13 H new ATOM 0 HA ARG A 56 -7.761 -9.923 4.056 1.00 63.42 H new ATOM 0 HB2 ARG A 56 -5.707 -8.594 2.255 1.00 61.11 H new ATOM 0 HB3 ARG A 56 -5.846 -10.329 2.460 1.00 61.11 H new ATOM 0 HG2 ARG A 56 -8.192 -10.210 1.605 1.00 75.42 H new ATOM 0 HG3 ARG A 56 -7.982 -8.491 1.334 1.00 75.42 H new ATOM 0 HD2 ARG A 56 -6.025 -9.011 -0.167 1.00 12.41 H new ATOM 0 HD3 ARG A 56 -6.354 -10.719 0.046 1.00 12.41 H new ATOM 0 HE ARG A 56 -8.777 -9.496 -0.793 1.00 4.42 H new ATOM 0 HH11 ARG A 56 -5.541 -10.180 -2.055 1.00 0.51 H new ATOM 0 HH12 ARG A 56 -6.091 -10.235 -3.733 1.00 0.51 H new ATOM 0 HH21 ARG A 56 -9.460 -9.569 -2.945 1.00 51.35 H new ATOM 0 HH22 ARG A 56 -8.295 -9.891 -4.234 1.00 51.35 H new ATOM 900 N LYS A 57 -5.635 -8.330 5.698 1.00 34.22 N ATOM 901 CA LYS A 57 -4.514 -8.293 6.629 1.00 34.32 C ATOM 902 C LYS A 57 -3.188 -8.431 5.885 1.00 22.24 C ATOM 903 O LYS A 57 -2.208 -8.947 6.419 1.00 20.32 O ATOM 904 CB LYS A 57 -4.661 -9.368 7.710 1.00 61.23 C ATOM 905 CG LYS A 57 -5.646 -8.993 8.811 1.00 24.32 C ATOM 906 CD LYS A 57 -7.091 -8.975 8.335 1.00 14.42 C ATOM 907 CE LYS A 57 -7.588 -10.372 8.004 1.00 4.12 C ATOM 908 NZ LYS A 57 -8.992 -10.359 7.522 1.00 3.32 N ATOM 0 H LYS A 57 -6.223 -7.497 5.724 1.00 34.22 H new ATOM 0 HA LYS A 57 -4.518 -7.324 7.127 1.00 34.32 H new ATOM 0 HB2 LYS A 57 -4.986 -10.298 7.244 1.00 61.23 H new ATOM 0 HB3 LYS A 57 -3.685 -9.559 8.156 1.00 61.23 H new ATOM 0 HG2 LYS A 57 -5.549 -9.701 9.634 1.00 24.32 H new ATOM 0 HG3 LYS A 57 -5.386 -8.010 9.204 1.00 24.32 H new ATOM 0 HD2 LYS A 57 -7.724 -8.537 9.107 1.00 14.42 H new ATOM 0 HD3 LYS A 57 -7.177 -8.339 7.454 1.00 14.42 H new ATOM 0 HE2 LYS A 57 -6.946 -10.815 7.242 1.00 4.12 H new ATOM 0 HE3 LYS A 57 -7.514 -11.003 8.889 1.00 4.12 H new ATOM 0 HZ1 LYS A 57 -9.256 -11.310 7.195 1.00 3.32 H new ATOM 0 HZ2 LYS A 57 -9.623 -10.072 8.298 1.00 3.32 H new ATOM 0 HZ3 LYS A 57 -9.083 -9.685 6.735 1.00 3.32 H new ATOM 922 N ILE A 58 -3.170 -7.944 4.651 1.00 41.00 N ATOM 923 CA ILE A 58 -1.945 -7.872 3.872 1.00 2.04 C ATOM 924 C ILE A 58 -1.125 -6.704 4.375 1.00 42.11 C ATOM 925 O ILE A 58 0.077 -6.813 4.587 1.00 34.51 O ATOM 926 CB ILE A 58 -2.216 -7.658 2.365 1.00 14.33 C ATOM 927 CG1 ILE A 58 -3.231 -8.670 1.834 1.00 33.44 C ATOM 928 CG2 ILE A 58 -0.916 -7.744 1.574 1.00 73.41 C ATOM 929 CD1 ILE A 58 -2.778 -10.102 1.944 1.00 21.54 C ATOM 0 H ILE A 58 -3.996 -7.592 4.168 1.00 41.00 H new ATOM 0 HA ILE A 58 -1.420 -8.820 3.989 1.00 2.04 H new ATOM 0 HB ILE A 58 -2.639 -6.662 2.239 1.00 14.33 H new ATOM 0 HG12 ILE A 58 -4.167 -8.552 2.380 1.00 33.44 H new ATOM 0 HG13 ILE A 58 -3.441 -8.445 0.788 1.00 33.44 H new ATOM 0 HG21 ILE A 58 -1.124 -7.591 0.515 1.00 73.41 H new ATOM 0 HG22 ILE A 58 -0.226 -6.976 1.923 1.00 73.41 H new ATOM 0 HG23 ILE A 58 -0.467 -8.727 1.718 1.00 73.41 H new ATOM 0 HD11 ILE A 58 -3.551 -10.760 1.547 1.00 21.54 H new ATOM 0 HD12 ILE A 58 -1.859 -10.238 1.374 1.00 21.54 H new ATOM 0 HD13 ILE A 58 -2.596 -10.347 2.990 1.00 21.54 H new ATOM 941 N VAL A 59 -1.806 -5.586 4.575 1.00 32.03 N ATOM 942 CA VAL A 59 -1.183 -4.371 5.075 1.00 23.01 C ATOM 943 C VAL A 59 -2.060 -3.747 6.148 1.00 24.22 C ATOM 944 O VAL A 59 -3.225 -4.121 6.306 1.00 63.24 O ATOM 945 CB VAL A 59 -0.948 -3.322 3.960 1.00 25.44 C ATOM 946 CG1 VAL A 59 -0.034 -3.866 2.876 1.00 63.43 C ATOM 947 CG2 VAL A 59 -2.270 -2.865 3.362 1.00 3.31 C ATOM 0 H VAL A 59 -2.806 -5.496 4.395 1.00 32.03 H new ATOM 0 HA VAL A 59 -0.213 -4.658 5.481 1.00 23.01 H new ATOM 0 HB VAL A 59 -0.457 -2.461 4.413 1.00 25.44 H new ATOM 0 HG11 VAL A 59 0.112 -3.106 2.108 1.00 63.43 H new ATOM 0 HG12 VAL A 59 0.929 -4.131 3.312 1.00 63.43 H new ATOM 0 HG13 VAL A 59 -0.486 -4.752 2.429 1.00 63.43 H new ATOM 0 HG21 VAL A 59 -2.081 -2.128 2.581 1.00 3.31 H new ATOM 0 HG22 VAL A 59 -2.791 -3.721 2.934 1.00 3.31 H new ATOM 0 HG23 VAL A 59 -2.886 -2.417 4.141 1.00 3.31 H new ATOM 957 N THR A 60 -1.503 -2.799 6.878 1.00 60.33 N ATOM 958 CA THR A 60 -2.255 -2.069 7.877 1.00 50.04 C ATOM 959 C THR A 60 -1.775 -0.625 7.950 1.00 22.14 C ATOM 960 O THR A 60 -0.601 -0.333 7.703 1.00 52.52 O ATOM 961 CB THR A 60 -2.138 -2.728 9.270 1.00 32.34 C ATOM 962 OG1 THR A 60 -3.015 -2.072 10.198 1.00 32.01 O ATOM 963 CG2 THR A 60 -0.706 -2.668 9.788 1.00 41.43 C ATOM 0 H THR A 60 -0.526 -2.516 6.796 1.00 60.33 H new ATOM 0 HA THR A 60 -3.303 -2.089 7.578 1.00 50.04 H new ATOM 0 HB THR A 60 -2.425 -3.775 9.174 1.00 32.34 H new ATOM 0 HG1 THR A 60 -2.937 -2.496 11.078 1.00 32.01 H new ATOM 0 HG21 THR A 60 -0.654 -3.139 10.770 1.00 41.43 H new ATOM 0 HG22 THR A 60 -0.047 -3.194 9.098 1.00 41.43 H new ATOM 0 HG23 THR A 60 -0.391 -1.627 9.868 1.00 41.43 H new ATOM 971 N TYR A 61 -2.698 0.268 8.269 1.00 23.13 N ATOM 972 CA TYR A 61 -2.383 1.675 8.448 1.00 31.03 C ATOM 973 C TYR A 61 -3.504 2.364 9.221 1.00 44.55 C ATOM 974 O TYR A 61 -4.689 2.155 8.937 1.00 73.53 O ATOM 975 CB TYR A 61 -2.136 2.367 7.098 1.00 3.54 C ATOM 976 CG TYR A 61 -3.339 2.446 6.184 1.00 22.44 C ATOM 977 CD1 TYR A 61 -3.850 1.314 5.559 1.00 63.03 C ATOM 978 CD2 TYR A 61 -3.956 3.663 5.939 1.00 51.21 C ATOM 979 CE1 TYR A 61 -4.944 1.395 4.719 1.00 64.44 C ATOM 980 CE2 TYR A 61 -5.049 3.754 5.103 1.00 35.55 C ATOM 981 CZ TYR A 61 -5.541 2.618 4.497 1.00 22.34 C ATOM 982 OH TYR A 61 -6.633 2.705 3.664 1.00 75.04 O ATOM 0 H TYR A 61 -3.682 0.039 8.410 1.00 23.13 H new ATOM 0 HA TYR A 61 -1.461 1.753 9.025 1.00 31.03 H new ATOM 0 HB2 TYR A 61 -1.777 3.379 7.287 1.00 3.54 H new ATOM 0 HB3 TYR A 61 -1.338 1.837 6.577 1.00 3.54 H new ATOM 0 HD1 TYR A 61 -3.384 0.355 5.733 1.00 63.03 H new ATOM 0 HD2 TYR A 61 -3.574 4.556 6.411 1.00 51.21 H new ATOM 0 HE1 TYR A 61 -5.329 0.507 4.240 1.00 64.44 H new ATOM 0 HE2 TYR A 61 -5.517 4.711 4.924 1.00 35.55 H new ATOM 0 HH TYR A 61 -6.934 3.636 3.616 1.00 75.04 H new ATOM 992 N PRO A 62 -3.142 3.165 10.230 1.00 32.34 N ATOM 993 CA PRO A 62 -4.111 3.876 11.058 1.00 65.55 C ATOM 994 C PRO A 62 -4.679 5.104 10.353 1.00 1.41 C ATOM 995 O PRO A 62 -3.956 5.822 9.657 1.00 2.34 O ATOM 996 CB PRO A 62 -3.291 4.288 12.281 1.00 53.01 C ATOM 997 CG PRO A 62 -1.892 4.416 11.780 1.00 60.33 C ATOM 998 CD PRO A 62 -1.752 3.437 10.642 1.00 21.01 C ATOM 0 HA PRO A 62 -4.978 3.261 11.298 1.00 65.55 H new ATOM 0 HB2 PRO A 62 -3.649 5.229 12.698 1.00 53.01 H new ATOM 0 HB3 PRO A 62 -3.360 3.542 13.073 1.00 53.01 H new ATOM 0 HG2 PRO A 62 -1.692 5.433 11.443 1.00 60.33 H new ATOM 0 HG3 PRO A 62 -1.175 4.196 12.571 1.00 60.33 H new ATOM 0 HD2 PRO A 62 -1.168 3.858 9.823 1.00 21.01 H new ATOM 0 HD3 PRO A 62 -1.245 2.526 10.960 1.00 21.01 H new ATOM 1125 N HIS A 71 -0.723 12.150 5.994 1.00 50.42 N ATOM 1126 CA HIS A 71 -0.230 10.796 6.188 1.00 63.34 C ATOM 1127 C HIS A 71 1.048 10.571 5.389 1.00 53.12 C ATOM 1128 O HIS A 71 1.469 9.436 5.191 1.00 42.22 O ATOM 1129 CB HIS A 71 -1.296 9.771 5.790 1.00 12.30 C ATOM 1130 CG HIS A 71 -2.373 9.598 6.818 1.00 60.31 C ATOM 1131 ND1 HIS A 71 -3.256 10.483 7.339 1.00 60.01 N flip ATOM 1132 CD2 HIS A 71 -2.630 8.394 7.439 1.00 45.23 C flip ATOM 1133 CE1 HIS A 71 -4.018 9.803 8.255 1.00 52.22 C flip ATOM 1134 NE2 HIS A 71 -3.622 8.548 8.296 1.00 54.11 N flip ATOM 0 HA HIS A 71 -0.003 10.664 7.246 1.00 63.34 H new ATOM 0 HB2 HIS A 71 -1.750 10.078 4.848 1.00 12.30 H new ATOM 0 HB3 HIS A 71 -0.815 8.809 5.613 1.00 12.30 H new ATOM 0 HD2 HIS A 71 -2.102 7.470 7.253 1.00 45.23 H new ATOM 0 HE1 HIS A 71 -4.815 10.229 8.847 1.00 52.22 H new ATOM 0 HE2 HIS A 71 -4.015 7.818 8.890 1.00 54.11 H new ATOM 1143 N ASP A 72 1.655 11.668 4.951 1.00 74.20 N ATOM 1144 CA ASP A 72 2.854 11.630 4.108 1.00 21.24 C ATOM 1145 C ASP A 72 3.970 10.808 4.755 1.00 63.14 C ATOM 1146 O ASP A 72 4.659 10.037 4.086 1.00 32.11 O ATOM 1147 CB ASP A 72 3.346 13.059 3.869 1.00 41.21 C ATOM 1148 CG ASP A 72 4.310 13.182 2.703 1.00 11.22 C ATOM 1149 OD1 ASP A 72 5.512 12.894 2.877 1.00 63.03 O ATOM 1150 OD2 ASP A 72 3.866 13.593 1.609 1.00 25.24 O ATOM 0 H ASP A 72 1.333 12.611 5.168 1.00 74.20 H new ATOM 0 HA ASP A 72 2.592 11.155 3.162 1.00 21.24 H new ATOM 0 HB2 ASP A 72 2.487 13.705 3.689 1.00 41.21 H new ATOM 0 HB3 ASP A 72 3.834 13.422 4.773 1.00 41.21 H new ATOM 1155 N ASP A 73 4.114 10.943 6.068 1.00 24.21 N ATOM 1156 CA ASP A 73 5.184 10.263 6.796 1.00 12.13 C ATOM 1157 C ASP A 73 4.688 8.953 7.410 1.00 44.50 C ATOM 1158 O ASP A 73 5.454 8.206 8.021 1.00 32.10 O ATOM 1159 CB ASP A 73 5.741 11.190 7.884 1.00 33.12 C ATOM 1160 CG ASP A 73 6.876 10.566 8.677 1.00 15.04 C ATOM 1161 OD1 ASP A 73 7.948 10.304 8.091 1.00 25.31 O ATOM 1162 OD2 ASP A 73 6.700 10.343 9.896 1.00 75.01 O ATOM 0 H ASP A 73 3.505 11.516 6.652 1.00 24.21 H new ATOM 0 HA ASP A 73 5.980 10.019 6.092 1.00 12.13 H new ATOM 0 HB2 ASP A 73 6.093 12.112 7.421 1.00 33.12 H new ATOM 0 HB3 ASP A 73 4.936 11.463 8.567 1.00 33.12 H new ATOM 1167 N VAL A 74 3.413 8.658 7.214 1.00 15.24 N ATOM 1168 CA VAL A 74 2.806 7.471 7.799 1.00 4.51 C ATOM 1169 C VAL A 74 3.241 6.222 7.048 1.00 50.31 C ATOM 1170 O VAL A 74 3.044 6.107 5.836 1.00 40.41 O ATOM 1171 CB VAL A 74 1.265 7.567 7.811 1.00 72.42 C ATOM 1172 CG1 VAL A 74 0.636 6.241 8.219 1.00 50.34 C ATOM 1173 CG2 VAL A 74 0.813 8.675 8.751 1.00 73.30 C ATOM 0 H VAL A 74 2.777 9.225 6.653 1.00 15.24 H new ATOM 0 HA VAL A 74 3.149 7.406 8.831 1.00 4.51 H new ATOM 0 HB VAL A 74 0.933 7.803 6.800 1.00 72.42 H new ATOM 0 HG11 VAL A 74 -0.450 6.338 8.219 1.00 50.34 H new ATOM 0 HG12 VAL A 74 0.931 5.466 7.512 1.00 50.34 H new ATOM 0 HG13 VAL A 74 0.976 5.969 9.218 1.00 50.34 H new ATOM 0 HG21 VAL A 74 -0.276 8.732 8.750 1.00 73.30 H new ATOM 0 HG22 VAL A 74 1.164 8.461 9.761 1.00 73.30 H new ATOM 0 HG23 VAL A 74 1.226 9.627 8.417 1.00 73.30 H new ATOM 1183 N ASP A 75 3.846 5.304 7.777 1.00 12.02 N ATOM 1184 CA ASP A 75 4.332 4.058 7.205 1.00 4.20 C ATOM 1185 C ASP A 75 3.204 3.046 7.071 1.00 32.55 C ATOM 1186 O ASP A 75 2.548 2.698 8.053 1.00 43.11 O ATOM 1187 CB ASP A 75 5.442 3.458 8.077 1.00 51.52 C ATOM 1188 CG ASP A 75 6.709 4.292 8.097 1.00 4.31 C ATOM 1189 OD1 ASP A 75 6.746 5.312 8.821 1.00 71.11 O ATOM 1190 OD2 ASP A 75 7.683 3.923 7.410 1.00 42.21 O ATOM 0 H ASP A 75 4.015 5.398 8.778 1.00 12.02 H new ATOM 0 HA ASP A 75 4.730 4.284 6.216 1.00 4.20 H new ATOM 0 HB2 ASP A 75 5.073 3.347 9.097 1.00 51.52 H new ATOM 0 HB3 ASP A 75 5.679 2.458 7.713 1.00 51.52 H new ATOM 1195 N ILE A 76 2.984 2.584 5.854 1.00 32.10 N ATOM 1196 CA ILE A 76 2.032 1.518 5.595 1.00 45.24 C ATOM 1197 C ILE A 76 2.738 0.183 5.798 1.00 12.12 C ATOM 1198 O ILE A 76 3.656 -0.163 5.052 1.00 50.31 O ATOM 1199 CB ILE A 76 1.473 1.592 4.155 1.00 1.52 C ATOM 1200 CG1 ILE A 76 1.032 3.024 3.811 1.00 33.11 C ATOM 1201 CG2 ILE A 76 0.314 0.618 3.979 1.00 21.11 C ATOM 1202 CD1 ILE A 76 -0.069 3.568 4.695 1.00 34.12 C ATOM 0 H ILE A 76 3.457 2.934 5.021 1.00 32.10 H new ATOM 0 HA ILE A 76 1.192 1.623 6.282 1.00 45.24 H new ATOM 0 HB ILE A 76 2.270 1.308 3.467 1.00 1.52 H new ATOM 0 HG12 ILE A 76 1.897 3.684 3.880 1.00 33.11 H new ATOM 0 HG13 ILE A 76 0.695 3.048 2.775 1.00 33.11 H new ATOM 0 HG21 ILE A 76 -0.066 0.685 2.959 1.00 21.11 H new ATOM 0 HG22 ILE A 76 0.660 -0.398 4.172 1.00 21.11 H new ATOM 0 HG23 ILE A 76 -0.482 0.869 4.680 1.00 21.11 H new ATOM 0 HD11 ILE A 76 -0.318 4.582 4.383 1.00 34.12 H new ATOM 0 HD12 ILE A 76 -0.952 2.934 4.608 1.00 34.12 H new ATOM 0 HD13 ILE A 76 0.269 3.580 5.731 1.00 34.12 H new ATOM 1214 N ILE A 77 2.330 -0.546 6.821 1.00 30.02 N ATOM 1215 CA ILE A 77 3.042 -1.744 7.230 1.00 11.35 C ATOM 1216 C ILE A 77 2.479 -2.994 6.563 1.00 3.22 C ATOM 1217 O ILE A 77 1.271 -3.221 6.558 1.00 60.41 O ATOM 1218 CB ILE A 77 3.007 -1.909 8.763 1.00 3.43 C ATOM 1219 CG1 ILE A 77 3.580 -0.656 9.431 1.00 2.42 C ATOM 1220 CG2 ILE A 77 3.785 -3.149 9.190 1.00 11.25 C ATOM 1221 CD1 ILE A 77 3.567 -0.702 10.943 1.00 44.24 C ATOM 0 H ILE A 77 1.508 -0.329 7.385 1.00 30.02 H new ATOM 0 HA ILE A 77 4.076 -1.624 6.908 1.00 11.35 H new ATOM 0 HB ILE A 77 1.972 -2.037 9.080 1.00 3.43 H new ATOM 0 HG12 ILE A 77 4.606 -0.513 9.091 1.00 2.42 H new ATOM 0 HG13 ILE A 77 3.010 0.212 9.100 1.00 2.42 H new ATOM 0 HG21 ILE A 77 3.747 -3.246 10.275 1.00 11.25 H new ATOM 0 HG22 ILE A 77 3.342 -4.033 8.731 1.00 11.25 H new ATOM 0 HG23 ILE A 77 4.823 -3.056 8.870 1.00 11.25 H new ATOM 0 HD11 ILE A 77 3.989 0.222 11.339 1.00 44.24 H new ATOM 0 HD12 ILE A 77 2.541 -0.812 11.295 1.00 44.24 H new ATOM 0 HD13 ILE A 77 4.161 -1.549 11.286 1.00 44.24 H new ATOM 1233 N LEU A 78 3.377 -3.790 5.999 1.00 23.12 N ATOM 1234 CA LEU A 78 3.016 -5.043 5.366 1.00 32.12 C ATOM 1235 C LEU A 78 2.956 -6.155 6.410 1.00 23.15 C ATOM 1236 O LEU A 78 3.976 -6.523 6.995 1.00 12.02 O ATOM 1237 CB LEU A 78 4.047 -5.391 4.287 1.00 13.21 C ATOM 1238 CG LEU A 78 3.702 -6.594 3.404 1.00 4.51 C ATOM 1239 CD1 LEU A 78 2.564 -6.252 2.458 1.00 74.21 C ATOM 1240 CD2 LEU A 78 4.924 -7.059 2.627 1.00 10.52 C ATOM 0 H LEU A 78 4.375 -3.582 5.969 1.00 23.12 H new ATOM 0 HA LEU A 78 2.035 -4.942 4.903 1.00 32.12 H new ATOM 0 HB2 LEU A 78 4.183 -4.520 3.646 1.00 13.21 H new ATOM 0 HB3 LEU A 78 5.004 -5.582 4.773 1.00 13.21 H new ATOM 0 HG LEU A 78 3.378 -7.411 4.049 1.00 4.51 H new ATOM 0 HD11 LEU A 78 2.333 -7.119 1.839 1.00 74.21 H new ATOM 0 HD12 LEU A 78 1.682 -5.973 3.035 1.00 74.21 H new ATOM 0 HD13 LEU A 78 2.859 -5.419 1.820 1.00 74.21 H new ATOM 0 HD21 LEU A 78 4.657 -7.914 2.006 1.00 10.52 H new ATOM 0 HD22 LEU A 78 5.282 -6.248 1.993 1.00 10.52 H new ATOM 0 HD23 LEU A 78 5.710 -7.348 3.324 1.00 10.52 H new ATOM 1252 N LEU A 79 1.764 -6.673 6.648 1.00 35.11 N ATOM 1253 CA LEU A 79 1.568 -7.727 7.631 1.00 34.42 C ATOM 1254 C LEU A 79 1.815 -9.091 7.003 1.00 43.30 C ATOM 1255 O LEU A 79 2.447 -9.958 7.605 1.00 40.25 O ATOM 1256 CB LEU A 79 0.151 -7.669 8.202 1.00 22.23 C ATOM 1257 CG LEU A 79 -0.214 -6.368 8.915 1.00 20.04 C ATOM 1258 CD1 LEU A 79 -1.671 -6.401 9.354 1.00 61.33 C ATOM 1259 CD2 LEU A 79 0.697 -6.137 10.112 1.00 1.22 C ATOM 0 H LEU A 79 0.911 -6.379 6.171 1.00 35.11 H new ATOM 0 HA LEU A 79 2.281 -7.576 8.441 1.00 34.42 H new ATOM 0 HB2 LEU A 79 -0.557 -7.829 7.389 1.00 22.23 H new ATOM 0 HB3 LEU A 79 0.025 -8.495 8.902 1.00 22.23 H new ATOM 0 HG LEU A 79 -0.077 -5.541 8.218 1.00 20.04 H new ATOM 0 HD11 LEU A 79 -1.919 -5.469 9.861 1.00 61.33 H new ATOM 0 HD12 LEU A 79 -2.312 -6.521 8.480 1.00 61.33 H new ATOM 0 HD13 LEU A 79 -1.827 -7.237 10.036 1.00 61.33 H new ATOM 0 HD21 LEU A 79 0.420 -5.205 10.606 1.00 1.22 H new ATOM 0 HD22 LEU A 79 0.592 -6.964 10.814 1.00 1.22 H new ATOM 0 HD23 LEU A 79 1.732 -6.076 9.775 1.00 1.22 H new ATOM 1271 N GLN A 80 1.319 -9.269 5.787 1.00 30.11 N ATOM 1272 CA GLN A 80 1.486 -10.524 5.073 1.00 64.22 C ATOM 1273 C GLN A 80 2.287 -10.288 3.801 1.00 73.42 C ATOM 1274 O GLN A 80 1.985 -9.376 3.034 1.00 31.44 O ATOM 1275 CB GLN A 80 0.122 -11.131 4.727 1.00 51.35 C ATOM 1276 CG GLN A 80 0.212 -12.514 4.096 1.00 23.44 C ATOM 1277 CD GLN A 80 -1.142 -13.073 3.703 1.00 40.21 C ATOM 1278 OE1 GLN A 80 -1.816 -13.717 4.505 1.00 10.23 O ATOM 1279 NE2 GLN A 80 -1.544 -12.844 2.462 1.00 45.43 N ATOM 0 H GLN A 80 0.797 -8.558 5.275 1.00 30.11 H new ATOM 0 HA GLN A 80 2.023 -11.223 5.714 1.00 64.22 H new ATOM 0 HB2 GLN A 80 -0.479 -11.193 5.634 1.00 51.35 H new ATOM 0 HB3 GLN A 80 -0.401 -10.462 4.043 1.00 51.35 H new ATOM 0 HG2 GLN A 80 0.849 -12.464 3.213 1.00 23.44 H new ATOM 0 HG3 GLN A 80 0.692 -13.197 4.797 1.00 23.44 H new ATOM 0 HE21 GLN A 80 -0.956 -12.305 1.827 1.00 45.43 H new ATOM 0 HE22 GLN A 80 -2.442 -13.207 2.142 1.00 45.43 H new ATOM 1288 N ASP A 81 3.288 -11.120 3.567 1.00 50.32 N ATOM 1289 CA ASP A 81 4.142 -10.961 2.399 1.00 22.44 C ATOM 1290 C ASP A 81 3.681 -11.879 1.277 1.00 52.23 C ATOM 1291 O ASP A 81 3.805 -13.102 1.363 1.00 35.41 O ATOM 1292 CB ASP A 81 5.607 -11.242 2.751 1.00 61.54 C ATOM 1293 CG ASP A 81 6.545 -10.956 1.593 1.00 43.12 C ATOM 1294 OD1 ASP A 81 6.120 -10.288 0.626 1.00 62.11 O ATOM 1295 OD2 ASP A 81 7.715 -11.389 1.649 1.00 44.44 O ATOM 0 H ASP A 81 3.530 -11.909 4.166 1.00 50.32 H new ATOM 0 HA ASP A 81 4.066 -9.928 2.059 1.00 22.44 H new ATOM 0 HB2 ASP A 81 5.895 -10.633 3.608 1.00 61.54 H new ATOM 0 HB3 ASP A 81 5.712 -12.284 3.051 1.00 61.54 H new