USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 606 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 THR OG1 : rot 19:sc= 0.306 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 71:sc= 0.816 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0616 K(o=-0.062,f=-0.59) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS :FLIP no HE2:sc= 0.0134 F(o=-0.6,f=0.013) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -2.82 K(o=-2.8,f=-5!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 69:sc= 0.935 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.271 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 95:sc= 0.117 USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 5 9.614 -7.004 -6.149 1.00 15.50 N ATOM 60 CA THR A 5 8.268 -6.469 -5.986 1.00 11.20 C ATOM 61 C THR A 5 7.940 -6.262 -4.511 1.00 60.10 C ATOM 62 O THR A 5 7.208 -5.340 -4.151 1.00 45.20 O ATOM 63 CB THR A 5 7.242 -7.408 -6.622 1.00 52.00 C ATOM 64 OG1 THR A 5 7.692 -7.862 -7.885 1.00 41.20 O ATOM 65 CG2 THR A 5 5.886 -6.768 -6.819 1.00 14.30 C ATOM 0 HA THR A 5 8.225 -5.503 -6.488 1.00 11.20 H new ATOM 0 HB THR A 5 7.136 -8.236 -5.921 1.00 52.00 H new ATOM 0 HG1 THR A 5 8.660 -7.729 -7.954 1.00 41.20 H new ATOM 0 HG21 THR A 5 5.206 -7.488 -7.274 1.00 14.30 H new ATOM 0 HG22 THR A 5 5.489 -6.453 -5.854 1.00 14.30 H new ATOM 0 HG23 THR A 5 5.985 -5.900 -7.471 1.00 14.30 H new ATOM 73 N LEU A 6 8.484 -7.128 -3.661 1.00 23.30 N ATOM 74 CA LEU A 6 8.249 -7.041 -2.226 1.00 55.40 C ATOM 75 C LEU A 6 8.963 -5.832 -1.628 1.00 42.10 C ATOM 76 O LEU A 6 8.421 -5.140 -0.768 1.00 52.30 O ATOM 77 CB LEU A 6 8.716 -8.323 -1.532 1.00 3.33 C ATOM 78 CG LEU A 6 7.616 -9.350 -1.261 1.00 51.40 C ATOM 79 CD1 LEU A 6 6.621 -8.811 -0.245 1.00 13.20 C ATOM 80 CD2 LEU A 6 6.909 -9.726 -2.555 1.00 33.20 C ATOM 0 H LEU A 6 9.091 -7.898 -3.943 1.00 23.30 H new ATOM 0 HA LEU A 6 7.178 -6.921 -2.066 1.00 55.40 H new ATOM 0 HB2 LEU A 6 9.485 -8.791 -2.146 1.00 3.33 H new ATOM 0 HB3 LEU A 6 9.184 -8.055 -0.584 1.00 3.33 H new ATOM 0 HG LEU A 6 8.076 -10.247 -0.847 1.00 51.40 H new ATOM 0 HD11 LEU A 6 5.846 -9.556 -0.065 1.00 13.20 H new ATOM 0 HD12 LEU A 6 7.138 -8.592 0.689 1.00 13.20 H new ATOM 0 HD13 LEU A 6 6.166 -7.899 -0.630 1.00 13.20 H new ATOM 0 HD21 LEU A 6 6.129 -10.458 -2.344 1.00 33.20 H new ATOM 0 HD22 LEU A 6 6.461 -8.836 -2.997 1.00 33.20 H new ATOM 0 HD23 LEU A 6 7.629 -10.154 -3.252 1.00 33.20 H new ATOM 92 N GLN A 7 10.185 -5.585 -2.091 1.00 34.20 N ATOM 93 CA GLN A 7 10.974 -4.460 -1.601 1.00 74.30 C ATOM 94 C GLN A 7 10.386 -3.135 -2.073 1.00 71.20 C ATOM 95 O GLN A 7 10.456 -2.128 -1.369 1.00 64.50 O ATOM 96 CB GLN A 7 12.424 -4.585 -2.073 1.00 65.10 C ATOM 97 CG GLN A 7 13.393 -3.705 -1.299 1.00 10.40 C ATOM 98 CD GLN A 7 14.090 -4.450 -0.178 1.00 2.44 C ATOM 99 OE1 GLN A 7 15.073 -5.157 -0.404 1.00 43.50 O ATOM 100 NE2 GLN A 7 13.583 -4.297 1.040 1.00 43.10 N ATOM 0 H GLN A 7 10.649 -6.148 -2.804 1.00 34.20 H new ATOM 0 HA GLN A 7 10.950 -4.479 -0.511 1.00 74.30 H new ATOM 0 HB2 GLN A 7 12.739 -5.625 -1.983 1.00 65.10 H new ATOM 0 HB3 GLN A 7 12.477 -4.327 -3.131 1.00 65.10 H new ATOM 0 HG2 GLN A 7 14.141 -3.305 -1.984 1.00 10.40 H new ATOM 0 HG3 GLN A 7 12.853 -2.854 -0.884 1.00 10.40 H new ATOM 0 HE21 GLN A 7 12.767 -3.701 1.182 1.00 43.10 H new ATOM 0 HE22 GLN A 7 14.009 -4.775 1.834 1.00 43.10 H new ATOM 109 N LYS A 8 9.807 -3.142 -3.270 1.00 31.40 N ATOM 110 CA LYS A 8 9.207 -1.940 -3.835 1.00 63.40 C ATOM 111 C LYS A 8 7.870 -1.630 -3.168 1.00 53.40 C ATOM 112 O LYS A 8 7.476 -0.470 -3.055 1.00 3.20 O ATOM 113 CB LYS A 8 9.010 -2.105 -5.344 1.00 54.10 C ATOM 114 CG LYS A 8 10.203 -1.647 -6.167 1.00 30.30 C ATOM 115 CD LYS A 8 9.766 -0.974 -7.458 1.00 54.10 C ATOM 116 CE LYS A 8 9.871 -1.919 -8.644 1.00 60.40 C ATOM 117 NZ LYS A 8 11.092 -1.658 -9.456 1.00 2.53 N ATOM 0 H LYS A 8 9.741 -3.967 -3.866 1.00 31.40 H new ATOM 0 HA LYS A 8 9.885 -1.106 -3.651 1.00 63.40 H new ATOM 0 HB2 LYS A 8 8.809 -3.154 -5.563 1.00 54.10 H new ATOM 0 HB3 LYS A 8 8.129 -1.541 -5.651 1.00 54.10 H new ATOM 0 HG2 LYS A 8 10.806 -0.954 -5.580 1.00 30.30 H new ATOM 0 HG3 LYS A 8 10.836 -2.503 -6.399 1.00 30.30 H new ATOM 0 HD2 LYS A 8 8.738 -0.627 -7.358 1.00 54.10 H new ATOM 0 HD3 LYS A 8 10.383 -0.094 -7.637 1.00 54.10 H new ATOM 0 HE2 LYS A 8 9.886 -2.949 -8.287 1.00 60.40 H new ATOM 0 HE3 LYS A 8 8.987 -1.812 -9.273 1.00 60.40 H new ATOM 0 HZ1 LYS A 8 11.126 -2.323 -10.255 1.00 2.53 H new ATOM 0 HZ2 LYS A 8 11.066 -0.683 -9.818 1.00 2.53 H new ATOM 0 HZ3 LYS A 8 11.937 -1.785 -8.863 1.00 2.53 H new ATOM 131 N ALA A 9 7.179 -2.676 -2.726 1.00 41.10 N ATOM 132 CA ALA A 9 5.887 -2.515 -2.070 1.00 32.40 C ATOM 133 C ALA A 9 6.042 -1.865 -0.699 1.00 35.10 C ATOM 134 O ALA A 9 5.216 -1.049 -0.292 1.00 41.20 O ATOM 135 CB ALA A 9 5.191 -3.862 -1.940 1.00 4.43 C ATOM 0 H ALA A 9 7.492 -3.643 -2.810 1.00 41.10 H new ATOM 0 HA ALA A 9 5.275 -1.858 -2.687 1.00 32.40 H new ATOM 0 HB1 ALA A 9 4.227 -3.728 -1.449 1.00 4.43 H new ATOM 0 HB2 ALA A 9 5.037 -4.289 -2.931 1.00 4.43 H new ATOM 0 HB3 ALA A 9 5.810 -4.536 -1.347 1.00 4.43 H new ATOM 141 N ILE A 10 7.107 -2.230 0.007 1.00 54.10 N ATOM 142 CA ILE A 10 7.370 -1.681 1.333 1.00 45.40 C ATOM 143 C ILE A 10 7.770 -0.212 1.249 1.00 14.40 C ATOM 144 O ILE A 10 7.502 0.568 2.165 1.00 64.40 O ATOM 145 CB ILE A 10 8.483 -2.465 2.055 1.00 50.10 C ATOM 146 CG1 ILE A 10 8.184 -3.965 2.029 1.00 71.20 C ATOM 147 CG2 ILE A 10 8.632 -1.976 3.489 1.00 71.40 C ATOM 148 CD1 ILE A 10 9.424 -4.829 2.102 1.00 61.40 C ATOM 0 H ILE A 10 7.802 -2.903 -0.316 1.00 54.10 H new ATOM 0 HA ILE A 10 6.445 -1.771 1.903 1.00 45.40 H new ATOM 0 HB ILE A 10 9.423 -2.292 1.532 1.00 50.10 H new ATOM 0 HG12 ILE A 10 7.529 -4.211 2.865 1.00 71.20 H new ATOM 0 HG13 ILE A 10 7.638 -4.203 1.116 1.00 71.20 H new ATOM 0 HG21 ILE A 10 9.422 -2.540 3.985 1.00 71.40 H new ATOM 0 HG22 ILE A 10 8.888 -0.917 3.487 1.00 71.40 H new ATOM 0 HG23 ILE A 10 7.693 -2.121 4.022 1.00 71.40 H new ATOM 0 HD11 ILE A 10 9.137 -5.880 2.079 1.00 61.40 H new ATOM 0 HD12 ILE A 10 10.070 -4.611 1.252 1.00 61.40 H new ATOM 0 HD13 ILE A 10 9.960 -4.619 3.028 1.00 61.40 H new ATOM 160 N ASP A 11 8.414 0.161 0.148 1.00 72.10 N ATOM 161 CA ASP A 11 8.851 1.537 -0.053 1.00 3.34 C ATOM 162 C ASP A 11 7.656 2.476 -0.193 1.00 21.40 C ATOM 163 O ASP A 11 7.727 3.646 0.181 1.00 51.00 O ATOM 164 CB ASP A 11 9.742 1.634 -1.294 1.00 13.40 C ATOM 165 CG ASP A 11 11.209 1.788 -0.942 1.00 1.10 C ATOM 166 OD1 ASP A 11 11.738 0.920 -0.215 1.00 74.50 O ATOM 167 OD2 ASP A 11 11.827 2.774 -1.391 1.00 60.30 O ATOM 0 H ASP A 11 8.645 -0.471 -0.619 1.00 72.10 H new ATOM 0 HA ASP A 11 9.425 1.841 0.823 1.00 3.34 H new ATOM 0 HB2 ASP A 11 9.609 0.740 -1.904 1.00 13.40 H new ATOM 0 HB3 ASP A 11 9.425 2.483 -1.900 1.00 13.40 H new ATOM 172 N LEU A 12 6.560 1.955 -0.735 1.00 71.40 N ATOM 173 CA LEU A 12 5.351 2.748 -0.925 1.00 54.10 C ATOM 174 C LEU A 12 4.604 2.929 0.394 1.00 51.20 C ATOM 175 O LEU A 12 3.937 3.943 0.606 1.00 44.40 O ATOM 176 CB LEU A 12 4.437 2.083 -1.956 1.00 45.30 C ATOM 177 CG LEU A 12 4.684 2.503 -3.406 1.00 12.40 C ATOM 178 CD1 LEU A 12 4.384 3.981 -3.591 1.00 60.30 C ATOM 179 CD2 LEU A 12 6.116 2.192 -3.813 1.00 4.40 C ATOM 0 H LEU A 12 6.484 0.988 -1.050 1.00 71.40 H new ATOM 0 HA LEU A 12 5.646 3.731 -1.291 1.00 54.10 H new ATOM 0 HB2 LEU A 12 4.556 1.002 -1.881 1.00 45.30 H new ATOM 0 HB3 LEU A 12 3.402 2.308 -1.700 1.00 45.30 H new ATOM 0 HG LEU A 12 4.013 1.934 -4.049 1.00 12.40 H new ATOM 0 HD11 LEU A 12 4.565 4.262 -4.628 1.00 60.30 H new ATOM 0 HD12 LEU A 12 3.341 4.175 -3.339 1.00 60.30 H new ATOM 0 HD13 LEU A 12 5.030 4.568 -2.938 1.00 60.30 H new ATOM 0 HD21 LEU A 12 6.275 2.497 -4.847 1.00 4.40 H new ATOM 0 HD22 LEU A 12 6.804 2.734 -3.165 1.00 4.40 H new ATOM 0 HD23 LEU A 12 6.297 1.121 -3.719 1.00 4.40 H new ATOM 191 N VAL A 13 4.719 1.942 1.276 1.00 72.30 N ATOM 192 CA VAL A 13 4.055 1.994 2.572 1.00 14.20 C ATOM 193 C VAL A 13 4.762 2.962 3.515 1.00 44.20 C ATOM 194 O VAL A 13 4.134 3.575 4.378 1.00 64.30 O ATOM 195 CB VAL A 13 3.998 0.602 3.231 1.00 21.50 C ATOM 196 CG1 VAL A 13 3.157 0.642 4.498 1.00 45.10 C ATOM 197 CG2 VAL A 13 3.453 -0.430 2.255 1.00 74.20 C ATOM 0 H VAL A 13 5.266 1.096 1.116 1.00 72.30 H new ATOM 0 HA VAL A 13 3.039 2.344 2.392 1.00 14.20 H new ATOM 0 HB VAL A 13 5.012 0.311 3.505 1.00 21.50 H new ATOM 0 HG11 VAL A 13 3.129 -0.350 4.948 1.00 45.10 H new ATOM 0 HG12 VAL A 13 3.595 1.348 5.203 1.00 45.10 H new ATOM 0 HG13 VAL A 13 2.143 0.957 4.252 1.00 45.10 H new ATOM 0 HG21 VAL A 13 3.420 -1.406 2.738 1.00 74.20 H new ATOM 0 HG22 VAL A 13 2.447 -0.144 1.947 1.00 74.20 H new ATOM 0 HG23 VAL A 13 4.100 -0.480 1.379 1.00 74.20 H new ATOM 207 N THR A 14 6.074 3.092 3.346 1.00 54.40 N ATOM 208 CA THR A 14 6.869 3.984 4.184 1.00 15.10 C ATOM 209 C THR A 14 6.625 5.445 3.813 1.00 71.20 C ATOM 210 O THR A 14 6.543 6.311 4.683 1.00 13.40 O ATOM 211 CB THR A 14 8.356 3.654 4.048 1.00 23.30 C ATOM 212 OG1 THR A 14 8.576 2.264 4.206 1.00 41.50 O ATOM 213 CG2 THR A 14 9.223 4.373 5.058 1.00 23.10 C ATOM 0 H THR A 14 6.609 2.591 2.637 1.00 54.40 H new ATOM 0 HA THR A 14 6.563 3.836 5.220 1.00 15.10 H new ATOM 0 HB THR A 14 8.637 3.988 3.049 1.00 23.30 H new ATOM 0 HG1 THR A 14 8.224 1.786 3.426 1.00 41.50 H new ATOM 0 HG21 THR A 14 10.266 4.094 4.906 1.00 23.10 H new ATOM 0 HG22 THR A 14 9.113 5.450 4.931 1.00 23.10 H new ATOM 0 HG23 THR A 14 8.916 4.093 6.066 1.00 23.10 H new ATOM 221 N LYS A 15 6.513 5.710 2.515 1.00 34.20 N ATOM 222 CA LYS A 15 6.281 7.066 2.030 1.00 52.10 C ATOM 223 C LYS A 15 4.849 7.512 2.315 1.00 32.30 C ATOM 224 O LYS A 15 4.577 8.704 2.460 1.00 50.30 O ATOM 225 CB LYS A 15 6.568 7.149 0.528 1.00 62.20 C ATOM 226 CG LYS A 15 7.587 8.216 0.162 1.00 75.40 C ATOM 227 CD LYS A 15 8.515 7.747 -0.948 1.00 73.00 C ATOM 228 CE LYS A 15 8.155 8.379 -2.283 1.00 33.00 C ATOM 229 NZ LYS A 15 9.366 8.760 -3.061 1.00 33.30 N ATOM 0 H LYS A 15 6.579 5.005 1.781 1.00 34.20 H new ATOM 0 HA LYS A 15 6.959 7.735 2.559 1.00 52.10 H new ATOM 0 HB2 LYS A 15 6.928 6.180 0.181 1.00 62.20 H new ATOM 0 HB3 LYS A 15 5.637 7.351 -0.001 1.00 62.20 H new ATOM 0 HG2 LYS A 15 7.069 9.121 -0.154 1.00 75.40 H new ATOM 0 HG3 LYS A 15 8.174 8.476 1.043 1.00 75.40 H new ATOM 0 HD2 LYS A 15 9.545 7.997 -0.692 1.00 73.00 H new ATOM 0 HD3 LYS A 15 8.462 6.662 -1.033 1.00 73.00 H new ATOM 0 HE2 LYS A 15 7.554 7.680 -2.865 1.00 33.00 H new ATOM 0 HE3 LYS A 15 7.540 9.263 -2.112 1.00 33.00 H new ATOM 0 HZ1 LYS A 15 9.078 9.187 -3.964 1.00 33.30 H new ATOM 0 HZ2 LYS A 15 9.927 9.446 -2.517 1.00 33.30 H new ATOM 0 HZ3 LYS A 15 9.940 7.913 -3.246 1.00 33.30 H new ATOM 243 N ALA A 16 3.935 6.549 2.390 1.00 1.44 N ATOM 244 CA ALA A 16 2.532 6.847 2.655 1.00 62.40 C ATOM 245 C ALA A 16 2.307 7.185 4.124 1.00 32.30 C ATOM 246 O ALA A 16 1.573 8.118 4.451 1.00 73.40 O ATOM 247 CB ALA A 16 1.657 5.672 2.242 1.00 75.50 C ATOM 0 H ALA A 16 4.141 5.557 2.271 1.00 1.44 H new ATOM 0 HA ALA A 16 2.255 7.720 2.064 1.00 62.40 H new ATOM 0 HB1 ALA A 16 0.612 5.907 2.445 1.00 75.50 H new ATOM 0 HB2 ALA A 16 1.785 5.480 1.177 1.00 75.50 H new ATOM 0 HB3 ALA A 16 1.946 4.786 2.808 1.00 75.50 H new ATOM 253 N THR A 17 2.942 6.422 5.008 1.00 23.40 N ATOM 254 CA THR A 17 2.808 6.643 6.444 1.00 21.20 C ATOM 255 C THR A 17 3.418 7.981 6.851 1.00 43.20 C ATOM 256 O THR A 17 2.812 8.746 7.602 1.00 0.32 O ATOM 257 CB THR A 17 3.474 5.506 7.222 1.00 75.20 C ATOM 258 OG1 THR A 17 3.382 5.733 8.617 1.00 43.20 O ATOM 259 CG2 THR A 17 4.937 5.323 6.882 1.00 53.40 C ATOM 0 H THR A 17 3.554 5.646 4.756 1.00 23.40 H new ATOM 0 HA THR A 17 1.745 6.663 6.684 1.00 21.20 H new ATOM 0 HB THR A 17 2.936 4.604 6.932 1.00 75.20 H new ATOM 0 HG1 THR A 17 3.812 4.995 9.098 1.00 43.20 H new ATOM 0 HG21 THR A 17 5.347 4.501 7.469 1.00 53.40 H new ATOM 0 HG22 THR A 17 5.038 5.097 5.821 1.00 53.40 H new ATOM 0 HG23 THR A 17 5.481 6.239 7.111 1.00 53.40 H new ATOM 267 N GLU A 18 4.618 8.256 6.353 1.00 32.00 N ATOM 268 CA GLU A 18 5.309 9.501 6.666 1.00 70.40 C ATOM 269 C GLU A 18 4.566 10.699 6.081 1.00 73.00 C ATOM 270 O GLU A 18 4.615 11.801 6.630 1.00 62.40 O ATOM 271 CB GLU A 18 6.742 9.463 6.134 1.00 54.00 C ATOM 272 CG GLU A 18 6.826 9.385 4.617 1.00 21.10 C ATOM 273 CD GLU A 18 7.526 10.583 4.008 1.00 65.30 C ATOM 274 OE1 GLU A 18 7.204 11.724 4.402 1.00 4.14 O ATOM 275 OE2 GLU A 18 8.398 10.382 3.135 1.00 74.30 O ATOM 0 H GLU A 18 5.133 7.633 5.730 1.00 32.00 H new ATOM 0 HA GLU A 18 5.336 9.609 7.750 1.00 70.40 H new ATOM 0 HB2 GLU A 18 7.271 10.354 6.474 1.00 54.00 H new ATOM 0 HB3 GLU A 18 7.257 8.604 6.563 1.00 54.00 H new ATOM 0 HG2 GLU A 18 7.356 8.476 4.333 1.00 21.10 H new ATOM 0 HG3 GLU A 18 5.820 9.309 4.205 1.00 21.10 H new ATOM 282 N GLU A 19 3.881 10.478 4.964 1.00 54.10 N ATOM 283 CA GLU A 19 3.131 11.541 4.305 1.00 3.52 C ATOM 284 C GLU A 19 1.925 11.957 5.143 1.00 50.30 C ATOM 285 O GLU A 19 1.663 13.147 5.321 1.00 72.20 O ATOM 286 CB GLU A 19 2.671 11.086 2.919 1.00 45.20 C ATOM 287 CG GLU A 19 3.687 11.357 1.821 1.00 64.20 C ATOM 288 CD GLU A 19 3.899 12.838 1.575 1.00 44.10 C ATOM 289 OE1 GLU A 19 4.583 13.484 2.397 1.00 55.20 O ATOM 290 OE2 GLU A 19 3.382 13.351 0.561 1.00 41.10 O ATOM 0 H GLU A 19 3.830 9.573 4.496 1.00 54.10 H new ATOM 0 HA GLU A 19 3.790 12.403 4.197 1.00 3.52 H new ATOM 0 HB2 GLU A 19 2.457 10.018 2.949 1.00 45.20 H new ATOM 0 HB3 GLU A 19 1.737 11.591 2.671 1.00 45.20 H new ATOM 0 HG2 GLU A 19 4.638 10.897 2.090 1.00 64.20 H new ATOM 0 HG3 GLU A 19 3.354 10.883 0.898 1.00 64.20 H new ATOM 297 N ASP A 20 1.195 10.971 5.656 1.00 14.20 N ATOM 298 CA ASP A 20 0.017 11.237 6.475 1.00 15.40 C ATOM 299 C ASP A 20 0.364 12.142 7.654 1.00 44.50 C ATOM 300 O ASP A 20 -0.462 12.932 8.109 1.00 12.40 O ATOM 301 CB ASP A 20 -0.585 9.925 6.983 1.00 50.40 C ATOM 302 CG ASP A 20 -1.734 9.444 6.120 1.00 73.10 C ATOM 303 OD1 ASP A 20 -2.624 10.263 5.807 1.00 44.00 O ATOM 304 OD2 ASP A 20 -1.745 8.249 5.758 1.00 23.30 O ATOM 0 H ASP A 20 1.398 9.981 5.519 1.00 14.20 H new ATOM 0 HA ASP A 20 -0.717 11.749 5.853 1.00 15.40 H new ATOM 0 HB2 ASP A 20 0.190 9.159 7.011 1.00 50.40 H new ATOM 0 HB3 ASP A 20 -0.935 10.061 8.006 1.00 50.40 H new ATOM 309 N LYS A 21 1.595 12.023 8.141 1.00 51.40 N ATOM 310 CA LYS A 21 2.054 12.830 9.265 1.00 4.32 C ATOM 311 C LYS A 21 2.339 14.264 8.827 1.00 45.10 C ATOM 312 O LYS A 21 2.281 15.191 9.634 1.00 64.10 O ATOM 313 CB LYS A 21 3.311 12.214 9.882 1.00 54.10 C ATOM 314 CG LYS A 21 3.017 11.222 10.998 1.00 62.10 C ATOM 315 CD LYS A 21 3.817 9.938 10.833 1.00 61.40 C ATOM 316 CE LYS A 21 4.547 9.565 12.113 1.00 44.00 C ATOM 317 NZ LYS A 21 3.817 8.524 12.887 1.00 32.30 N ATOM 0 H LYS A 21 2.292 11.375 7.774 1.00 51.40 H new ATOM 0 HA LYS A 21 1.261 12.849 10.013 1.00 4.32 H new ATOM 0 HB2 LYS A 21 3.880 11.711 9.100 1.00 54.10 H new ATOM 0 HB3 LYS A 21 3.942 13.012 10.273 1.00 54.10 H new ATOM 0 HG2 LYS A 21 3.252 11.676 11.960 1.00 62.10 H new ATOM 0 HG3 LYS A 21 1.952 10.989 11.007 1.00 62.10 H new ATOM 0 HD2 LYS A 21 3.148 9.127 10.545 1.00 61.40 H new ATOM 0 HD3 LYS A 21 4.538 10.059 10.024 1.00 61.40 H new ATOM 0 HE2 LYS A 21 5.545 9.202 11.869 1.00 44.00 H new ATOM 0 HE3 LYS A 21 4.674 10.454 12.731 1.00 44.00 H new ATOM 0 HZ1 LYS A 21 4.348 8.298 13.752 1.00 32.30 H new ATOM 0 HZ2 LYS A 21 2.874 8.879 13.143 1.00 32.30 H new ATOM 0 HZ3 LYS A 21 3.718 7.666 12.308 1.00 32.30 H new ATOM 331 N ALA A 22 2.649 14.439 7.546 1.00 53.40 N ATOM 332 CA ALA A 22 2.943 15.761 7.006 1.00 5.13 C ATOM 333 C ALA A 22 1.714 16.380 6.346 1.00 4.11 C ATOM 334 O ALA A 22 1.834 17.200 5.437 1.00 63.20 O ATOM 335 CB ALA A 22 4.091 15.679 6.009 1.00 31.00 C ATOM 0 H ALA A 22 2.703 13.683 6.864 1.00 53.40 H new ATOM 0 HA ALA A 22 3.236 16.404 7.836 1.00 5.13 H new ATOM 0 HB1 ALA A 22 4.301 16.673 5.613 1.00 31.00 H new ATOM 0 HB2 ALA A 22 4.979 15.292 6.508 1.00 31.00 H new ATOM 0 HB3 ALA A 22 3.816 15.013 5.191 1.00 31.00 H new ATOM 341 N LYS A 23 0.532 15.987 6.812 1.00 3.55 N ATOM 342 CA LYS A 23 -0.717 16.507 6.267 1.00 52.10 C ATOM 343 C LYS A 23 -0.809 16.254 4.765 1.00 52.10 C ATOM 344 O LYS A 23 -1.391 17.049 4.027 1.00 32.30 O ATOM 345 CB LYS A 23 -0.835 18.007 6.550 1.00 42.40 C ATOM 346 CG LYS A 23 -1.106 18.331 8.009 1.00 15.30 C ATOM 347 CD LYS A 23 -2.582 18.597 8.255 1.00 15.30 C ATOM 348 CE LYS A 23 -2.973 18.286 9.690 1.00 63.00 C ATOM 349 NZ LYS A 23 -3.945 19.277 10.230 1.00 74.10 N ATOM 0 H LYS A 23 0.413 15.310 7.566 1.00 3.55 H new ATOM 0 HA LYS A 23 -1.540 15.984 6.754 1.00 52.10 H new ATOM 0 HB2 LYS A 23 0.087 18.500 6.242 1.00 42.40 H new ATOM 0 HB3 LYS A 23 -1.637 18.421 5.939 1.00 42.40 H new ATOM 0 HG2 LYS A 23 -0.775 17.502 8.635 1.00 15.30 H new ATOM 0 HG3 LYS A 23 -0.524 19.204 8.303 1.00 15.30 H new ATOM 0 HD2 LYS A 23 -2.806 19.640 8.034 1.00 15.30 H new ATOM 0 HD3 LYS A 23 -3.180 17.991 7.574 1.00 15.30 H new ATOM 0 HE2 LYS A 23 -3.408 17.288 9.739 1.00 63.00 H new ATOM 0 HE3 LYS A 23 -2.080 18.276 10.315 1.00 63.00 H new ATOM 0 HZ1 LYS A 23 -4.185 19.028 11.211 1.00 74.10 H new ATOM 0 HZ2 LYS A 23 -3.521 20.227 10.207 1.00 74.10 H new ATOM 0 HZ3 LYS A 23 -4.808 19.269 9.649 1.00 74.10 H new ATOM 363 N ASN A 24 -0.232 15.144 4.318 1.00 31.30 N ATOM 364 CA ASN A 24 -0.251 14.789 2.904 1.00 33.20 C ATOM 365 C ASN A 24 -1.217 13.636 2.646 1.00 55.40 C ATOM 366 O ASN A 24 -0.887 12.679 1.944 1.00 12.50 O ATOM 367 CB ASN A 24 1.155 14.411 2.430 1.00 53.40 C ATOM 368 CG ASN A 24 1.949 15.617 1.965 1.00 1.35 C ATOM 369 OD1 ASN A 24 2.872 16.066 2.644 1.00 64.00 O ATOM 370 ND2 ASN A 24 1.592 16.147 0.801 1.00 54.00 N ATOM 0 H ASN A 24 0.255 14.475 4.914 1.00 31.30 H new ATOM 0 HA ASN A 24 -0.593 15.658 2.342 1.00 33.20 H new ATOM 0 HB2 ASN A 24 1.689 13.918 3.242 1.00 53.40 H new ATOM 0 HB3 ASN A 24 1.080 13.692 1.615 1.00 53.40 H new ATOM 0 HD21 ASN A 24 2.090 16.959 0.436 1.00 54.00 H new ATOM 0 HD22 ASN A 24 0.820 15.742 0.271 1.00 54.00 H new ATOM 377 N TYR A 25 -2.413 13.734 3.220 1.00 30.20 N ATOM 378 CA TYR A 25 -3.432 12.701 3.056 1.00 71.30 C ATOM 379 C TYR A 25 -3.636 12.356 1.583 1.00 54.40 C ATOM 380 O TYR A 25 -3.714 11.185 1.214 1.00 74.20 O ATOM 381 CB TYR A 25 -4.757 13.162 3.667 1.00 4.21 C ATOM 382 CG TYR A 25 -4.835 12.968 5.165 1.00 33.50 C ATOM 383 CD1 TYR A 25 -4.053 13.730 6.025 1.00 73.00 C ATOM 384 CD2 TYR A 25 -5.692 12.025 5.719 1.00 44.10 C ATOM 385 CE1 TYR A 25 -4.123 13.557 7.394 1.00 33.20 C ATOM 386 CE2 TYR A 25 -5.768 11.846 7.087 1.00 13.30 C ATOM 387 CZ TYR A 25 -4.982 12.614 7.919 1.00 64.40 C ATOM 388 OH TYR A 25 -5.054 12.439 9.283 1.00 71.30 O ATOM 0 H TYR A 25 -2.701 14.519 3.804 1.00 30.20 H new ATOM 0 HA TYR A 25 -3.087 11.806 3.574 1.00 71.30 H new ATOM 0 HB2 TYR A 25 -4.905 14.217 3.438 1.00 4.21 H new ATOM 0 HB3 TYR A 25 -5.574 12.616 3.196 1.00 4.21 H new ATOM 0 HD1 TYR A 25 -3.380 14.469 5.617 1.00 73.00 H new ATOM 0 HD2 TYR A 25 -6.309 11.422 5.069 1.00 44.10 H new ATOM 0 HE1 TYR A 25 -3.509 14.157 8.049 1.00 33.20 H new ATOM 0 HE2 TYR A 25 -6.439 11.109 7.502 1.00 13.30 H new ATOM 0 HH TYR A 25 -5.707 11.738 9.489 1.00 71.30 H new ATOM 398 N GLU A 26 -3.720 13.385 0.745 1.00 31.50 N ATOM 399 CA GLU A 26 -3.915 13.191 -0.687 1.00 61.20 C ATOM 400 C GLU A 26 -2.779 12.365 -1.284 1.00 24.20 C ATOM 401 O GLU A 26 -3.010 11.474 -2.101 1.00 75.10 O ATOM 402 CB GLU A 26 -4.009 14.542 -1.399 1.00 75.30 C ATOM 403 CG GLU A 26 -2.858 15.482 -1.079 1.00 43.10 C ATOM 404 CD GLU A 26 -1.828 15.543 -2.189 1.00 75.10 C ATOM 405 OE1 GLU A 26 -2.055 16.283 -3.169 1.00 52.00 O ATOM 406 OE2 GLU A 26 -0.795 14.850 -2.080 1.00 52.00 O ATOM 0 H GLU A 26 -3.656 14.361 1.033 1.00 31.50 H new ATOM 0 HA GLU A 26 -4.849 12.648 -0.831 1.00 61.20 H new ATOM 0 HB2 GLU A 26 -4.041 14.374 -2.476 1.00 75.30 H new ATOM 0 HB3 GLU A 26 -4.947 15.024 -1.124 1.00 75.30 H new ATOM 0 HG2 GLU A 26 -3.251 16.482 -0.898 1.00 43.10 H new ATOM 0 HG3 GLU A 26 -2.375 15.158 -0.157 1.00 43.10 H new ATOM 413 N GLU A 27 -1.553 12.665 -0.866 1.00 3.14 N ATOM 414 CA GLU A 27 -0.383 11.947 -1.358 1.00 51.20 C ATOM 415 C GLU A 27 -0.376 10.510 -0.847 1.00 25.40 C ATOM 416 O GLU A 27 -0.080 9.578 -1.594 1.00 30.20 O ATOM 417 CB GLU A 27 0.898 12.662 -0.925 1.00 12.30 C ATOM 418 CG GLU A 27 2.048 12.494 -1.904 1.00 43.20 C ATOM 419 CD GLU A 27 2.308 13.746 -2.719 1.00 5.04 C ATOM 420 OE1 GLU A 27 1.420 14.139 -3.503 1.00 23.30 O ATOM 421 OE2 GLU A 27 3.402 14.332 -2.573 1.00 3.14 O ATOM 0 H GLU A 27 -1.345 13.399 -0.189 1.00 3.14 H new ATOM 0 HA GLU A 27 -0.428 11.927 -2.447 1.00 51.20 H new ATOM 0 HB2 GLU A 27 0.688 13.725 -0.803 1.00 12.30 H new ATOM 0 HB3 GLU A 27 1.204 12.283 0.050 1.00 12.30 H new ATOM 0 HG2 GLU A 27 2.951 12.228 -1.355 1.00 43.20 H new ATOM 0 HG3 GLU A 27 1.829 11.666 -2.578 1.00 43.20 H new ATOM 428 N ALA A 28 -0.705 10.340 0.430 1.00 74.30 N ATOM 429 CA ALA A 28 -0.738 9.017 1.041 1.00 61.30 C ATOM 430 C ALA A 28 -1.727 8.106 0.322 1.00 51.20 C ATOM 431 O ALA A 28 -1.527 6.894 0.246 1.00 53.30 O ATOM 432 CB ALA A 28 -1.094 9.126 2.515 1.00 30.20 C ATOM 0 H ALA A 28 -0.952 11.102 1.061 1.00 74.30 H new ATOM 0 HA ALA A 28 0.255 8.576 0.950 1.00 61.30 H new ATOM 0 HB1 ALA A 28 -1.115 8.131 2.959 1.00 30.20 H new ATOM 0 HB2 ALA A 28 -0.348 9.735 3.025 1.00 30.20 H new ATOM 0 HB3 ALA A 28 -2.075 9.591 2.619 1.00 30.20 H new ATOM 438 N LEU A 29 -2.795 8.698 -0.203 1.00 34.50 N ATOM 439 CA LEU A 29 -3.815 7.940 -0.917 1.00 22.40 C ATOM 440 C LEU A 29 -3.220 7.234 -2.131 1.00 51.30 C ATOM 441 O LEU A 29 -3.433 6.038 -2.333 1.00 13.40 O ATOM 442 CB LEU A 29 -4.953 8.864 -1.357 1.00 42.30 C ATOM 443 CG LEU A 29 -6.174 8.152 -1.943 1.00 24.40 C ATOM 444 CD1 LEU A 29 -7.121 7.719 -0.835 1.00 35.10 C ATOM 445 CD2 LEU A 29 -6.889 9.055 -2.936 1.00 71.20 C ATOM 0 H LEU A 29 -2.976 9.700 -0.147 1.00 34.50 H new ATOM 0 HA LEU A 29 -4.211 7.184 -0.238 1.00 22.40 H new ATOM 0 HB2 LEU A 29 -5.273 9.455 -0.499 1.00 42.30 H new ATOM 0 HB3 LEU A 29 -4.567 9.562 -2.100 1.00 42.30 H new ATOM 0 HG LEU A 29 -5.835 7.261 -2.471 1.00 24.40 H new ATOM 0 HD11 LEU A 29 -7.984 7.214 -1.270 1.00 35.10 H new ATOM 0 HD12 LEU A 29 -6.604 7.037 -0.160 1.00 35.10 H new ATOM 0 HD13 LEU A 29 -7.455 8.595 -0.279 1.00 35.10 H new ATOM 0 HD21 LEU A 29 -7.755 8.534 -3.344 1.00 71.20 H new ATOM 0 HD22 LEU A 29 -7.217 9.964 -2.431 1.00 71.20 H new ATOM 0 HD23 LEU A 29 -6.208 9.316 -3.746 1.00 71.20 H new ATOM 457 N ARG A 30 -2.473 7.981 -2.937 1.00 23.30 N ATOM 458 CA ARG A 30 -1.846 7.427 -4.131 1.00 21.40 C ATOM 459 C ARG A 30 -0.690 6.504 -3.760 1.00 54.10 C ATOM 460 O ARG A 30 -0.420 5.522 -4.452 1.00 0.51 O ATOM 461 CB ARG A 30 -1.347 8.551 -5.039 1.00 22.00 C ATOM 462 CG ARG A 30 -2.463 9.333 -5.712 1.00 25.30 C ATOM 463 CD ARG A 30 -3.011 8.597 -6.926 1.00 63.00 C ATOM 464 NE ARG A 30 -2.798 9.348 -8.162 1.00 74.40 N ATOM 465 CZ ARG A 30 -3.456 9.113 -9.294 1.00 41.20 C ATOM 466 NH1 ARG A 30 -4.369 8.151 -9.352 1.00 42.10 N ATOM 467 NH2 ARG A 30 -3.204 9.843 -10.370 1.00 72.10 N ATOM 0 H ARG A 30 -2.287 8.972 -2.785 1.00 23.30 H new ATOM 0 HA ARG A 30 -2.595 6.843 -4.667 1.00 21.40 H new ATOM 0 HB2 ARG A 30 -0.737 9.237 -4.451 1.00 22.00 H new ATOM 0 HB3 ARG A 30 -0.699 8.126 -5.806 1.00 22.00 H new ATOM 0 HG2 ARG A 30 -3.268 9.507 -4.998 1.00 25.30 H new ATOM 0 HG3 ARG A 30 -2.090 10.311 -6.017 1.00 25.30 H new ATOM 0 HD2 ARG A 30 -2.531 7.622 -7.007 1.00 63.00 H new ATOM 0 HD3 ARG A 30 -4.077 8.417 -6.790 1.00 63.00 H new ATOM 0 HE ARG A 30 -2.104 10.096 -8.156 1.00 74.40 H new ATOM 0 HH11 ARG A 30 -4.569 7.587 -8.526 1.00 42.10 H new ATOM 0 HH12 ARG A 30 -4.870 7.976 -10.223 1.00 42.10 H new ATOM 0 HH21 ARG A 30 -2.505 10.585 -10.331 1.00 72.10 H new ATOM 0 HH22 ARG A 30 -3.708 9.663 -11.238 1.00 72.10 H new ATOM 481 N LEU A 31 -0.009 6.828 -2.666 1.00 43.20 N ATOM 482 CA LEU A 31 1.120 6.028 -2.204 1.00 22.10 C ATOM 483 C LEU A 31 0.648 4.689 -1.646 1.00 2.44 C ATOM 484 O LEU A 31 1.286 3.657 -1.861 1.00 71.10 O ATOM 485 CB LEU A 31 1.908 6.791 -1.135 1.00 31.30 C ATOM 486 CG LEU A 31 3.117 7.570 -1.655 1.00 12.20 C ATOM 487 CD1 LEU A 31 4.182 6.619 -2.176 1.00 2.14 C ATOM 488 CD2 LEU A 31 2.694 8.547 -2.742 1.00 61.40 C ATOM 0 H LEU A 31 -0.219 7.638 -2.083 1.00 43.20 H new ATOM 0 HA LEU A 31 1.770 5.835 -3.058 1.00 22.10 H new ATOM 0 HB2 LEU A 31 1.234 7.487 -0.636 1.00 31.30 H new ATOM 0 HB3 LEU A 31 2.249 6.081 -0.381 1.00 31.30 H new ATOM 0 HG LEU A 31 3.541 8.139 -0.828 1.00 12.20 H new ATOM 0 HD11 LEU A 31 5.034 7.192 -2.542 1.00 2.14 H new ATOM 0 HD12 LEU A 31 4.507 5.960 -1.371 1.00 2.14 H new ATOM 0 HD13 LEU A 31 3.770 6.022 -2.990 1.00 2.14 H new ATOM 0 HD21 LEU A 31 3.567 9.093 -3.100 1.00 61.40 H new ATOM 0 HD22 LEU A 31 2.244 7.998 -3.569 1.00 61.40 H new ATOM 0 HD23 LEU A 31 1.968 9.251 -2.336 1.00 61.40 H new ATOM 500 N TYR A 32 -0.471 4.712 -0.931 1.00 30.50 N ATOM 501 CA TYR A 32 -1.027 3.500 -0.342 1.00 13.50 C ATOM 502 C TYR A 32 -1.604 2.584 -1.418 1.00 61.00 C ATOM 503 O TYR A 32 -1.319 1.387 -1.447 1.00 11.50 O ATOM 504 CB TYR A 32 -2.110 3.854 0.681 1.00 62.20 C ATOM 505 CG TYR A 32 -1.622 3.828 2.112 1.00 72.10 C ATOM 506 CD1 TYR A 32 -1.316 2.626 2.739 1.00 10.10 C ATOM 507 CD2 TYR A 32 -1.468 5.003 2.835 1.00 62.20 C ATOM 508 CE1 TYR A 32 -0.871 2.597 4.046 1.00 20.40 C ATOM 509 CE2 TYR A 32 -1.022 4.983 4.144 1.00 41.40 C ATOM 510 CZ TYR A 32 -0.726 3.777 4.744 1.00 23.00 C ATOM 511 OH TYR A 32 -0.282 3.752 6.047 1.00 61.10 O ATOM 0 H TYR A 32 -1.011 5.557 -0.745 1.00 30.50 H new ATOM 0 HA TYR A 32 -0.220 2.970 0.164 1.00 13.50 H new ATOM 0 HB2 TYR A 32 -2.499 4.847 0.457 1.00 62.20 H new ATOM 0 HB3 TYR A 32 -2.940 3.155 0.576 1.00 62.20 H new ATOM 0 HD1 TYR A 32 -1.428 1.700 2.195 1.00 10.10 H new ATOM 0 HD2 TYR A 32 -1.700 5.948 2.368 1.00 62.20 H new ATOM 0 HE1 TYR A 32 -0.638 1.655 4.519 1.00 20.40 H new ATOM 0 HE2 TYR A 32 -0.906 5.906 4.693 1.00 41.40 H new ATOM 0 HH TYR A 32 -0.234 4.667 6.394 1.00 61.10 H new ATOM 521 N GLN A 33 -2.419 3.156 -2.298 1.00 2.23 N ATOM 522 CA GLN A 33 -3.039 2.390 -3.375 1.00 54.30 C ATOM 523 C GLN A 33 -1.982 1.745 -4.265 1.00 2.04 C ATOM 524 O GLN A 33 -2.206 0.678 -4.839 1.00 72.10 O ATOM 525 CB GLN A 33 -3.944 3.294 -4.214 1.00 51.40 C ATOM 526 CG GLN A 33 -5.355 3.422 -3.663 1.00 72.30 C ATOM 527 CD GLN A 33 -6.417 3.290 -4.738 1.00 13.20 C ATOM 528 OE1 GLN A 33 -6.659 2.200 -5.256 1.00 10.20 O ATOM 529 NE2 GLN A 33 -7.055 4.403 -5.079 1.00 60.30 N ATOM 0 H GLN A 33 -2.666 4.146 -2.287 1.00 2.23 H new ATOM 0 HA GLN A 33 -3.640 1.599 -2.925 1.00 54.30 H new ATOM 0 HB2 GLN A 33 -3.496 4.286 -4.276 1.00 51.40 H new ATOM 0 HB3 GLN A 33 -3.994 2.902 -5.230 1.00 51.40 H new ATOM 0 HG2 GLN A 33 -5.515 2.656 -2.904 1.00 72.30 H new ATOM 0 HG3 GLN A 33 -5.462 4.388 -3.169 1.00 72.30 H new ATOM 0 HE21 GLN A 33 -6.821 5.285 -4.623 1.00 60.30 H new ATOM 0 HE22 GLN A 33 -7.779 4.376 -5.797 1.00 60.30 H new ATOM 538 N HIS A 34 -0.829 2.396 -4.377 1.00 32.00 N ATOM 539 CA HIS A 34 0.263 1.884 -5.198 1.00 42.30 C ATOM 540 C HIS A 34 0.902 0.658 -4.553 1.00 41.50 C ATOM 541 O HIS A 34 1.184 -0.334 -5.226 1.00 61.40 O ATOM 542 CB HIS A 34 1.318 2.970 -5.416 1.00 31.30 C ATOM 543 CG HIS A 34 1.146 3.722 -6.699 1.00 61.20 C ATOM 544 ND1 HIS A 34 0.158 4.549 -7.117 1.00 41.30 N flip ATOM 545 CD2 HIS A 34 2.060 3.669 -7.731 1.00 14.30 C flip ATOM 546 CE1 HIS A 34 0.491 4.975 -8.379 1.00 43.40 C flip ATOM 547 NE2 HIS A 34 1.643 4.431 -8.727 1.00 34.10 N flip ATOM 0 H HIS A 34 -0.626 3.280 -3.910 1.00 32.00 H new ATOM 0 HA HIS A 34 -0.149 1.589 -6.163 1.00 42.30 H new ATOM 0 HB2 HIS A 34 1.281 3.673 -4.584 1.00 31.30 H new ATOM 0 HB3 HIS A 34 2.307 2.512 -5.402 1.00 31.30 H new ATOM 0 HD1 HIS A 34 -0.678 4.807 -6.592 1.00 41.30 H new ATOM 0 HD2 HIS A 34 2.974 3.094 -7.726 1.00 14.30 H new ATOM 0 HE1 HIS A 34 -0.095 5.647 -8.989 1.00 43.40 H new ATOM 556 N ALA A 35 1.128 0.733 -3.246 1.00 25.10 N ATOM 557 CA ALA A 35 1.736 -0.369 -2.510 1.00 54.50 C ATOM 558 C ALA A 35 0.890 -1.634 -2.616 1.00 61.30 C ATOM 559 O ALA A 35 1.421 -2.741 -2.701 1.00 32.10 O ATOM 560 CB ALA A 35 1.935 0.016 -1.051 1.00 10.00 C ATOM 0 H ALA A 35 0.899 1.546 -2.674 1.00 25.10 H new ATOM 0 HA ALA A 35 2.709 -0.577 -2.955 1.00 54.50 H new ATOM 0 HB1 ALA A 35 2.390 -0.816 -0.514 1.00 10.00 H new ATOM 0 HB2 ALA A 35 2.588 0.887 -0.990 1.00 10.00 H new ATOM 0 HB3 ALA A 35 0.970 0.254 -0.603 1.00 10.00 H new ATOM 566 N VAL A 36 -0.427 -1.462 -2.608 1.00 14.20 N ATOM 567 CA VAL A 36 -1.345 -2.591 -2.702 1.00 52.40 C ATOM 568 C VAL A 36 -1.283 -3.240 -4.081 1.00 43.30 C ATOM 569 O VAL A 36 -1.463 -4.451 -4.215 1.00 21.10 O ATOM 570 CB VAL A 36 -2.796 -2.160 -2.417 1.00 70.00 C ATOM 571 CG1 VAL A 36 -3.705 -3.376 -2.320 1.00 4.24 C ATOM 572 CG2 VAL A 36 -2.866 -1.330 -1.144 1.00 25.30 C ATOM 0 H VAL A 36 -0.883 -0.552 -2.537 1.00 14.20 H new ATOM 0 HA VAL A 36 -1.032 -3.314 -1.949 1.00 52.40 H new ATOM 0 HB VAL A 36 -3.142 -1.542 -3.246 1.00 70.00 H new ATOM 0 HG11 VAL A 36 -4.726 -3.052 -2.118 1.00 4.24 H new ATOM 0 HG12 VAL A 36 -3.678 -3.926 -3.260 1.00 4.24 H new ATOM 0 HG13 VAL A 36 -3.363 -4.022 -1.512 1.00 4.24 H new ATOM 0 HG21 VAL A 36 -3.899 -1.034 -0.959 1.00 25.30 H new ATOM 0 HG22 VAL A 36 -2.501 -1.921 -0.304 1.00 25.30 H new ATOM 0 HG23 VAL A 36 -2.248 -0.439 -1.256 1.00 25.30 H new ATOM 582 N GLU A 37 -1.030 -2.429 -5.102 1.00 50.10 N ATOM 583 CA GLU A 37 -0.946 -2.925 -6.470 1.00 62.20 C ATOM 584 C GLU A 37 0.300 -3.784 -6.666 1.00 31.10 C ATOM 585 O GLU A 37 0.282 -4.758 -7.418 1.00 1.40 O ATOM 586 CB GLU A 37 -0.934 -1.757 -7.458 1.00 33.50 C ATOM 587 CG GLU A 37 -2.320 -1.236 -7.801 1.00 15.40 C ATOM 588 CD GLU A 37 -2.913 -1.916 -9.019 1.00 61.30 C ATOM 589 OE1 GLU A 37 -3.335 -3.086 -8.900 1.00 71.40 O ATOM 590 OE2 GLU A 37 -2.957 -1.279 -10.090 1.00 42.30 O ATOM 0 H GLU A 37 -0.879 -1.425 -5.008 1.00 50.10 H new ATOM 0 HA GLU A 37 -1.823 -3.544 -6.658 1.00 62.20 H new ATOM 0 HB2 GLU A 37 -0.343 -0.943 -7.038 1.00 33.50 H new ATOM 0 HB3 GLU A 37 -0.436 -2.073 -8.375 1.00 33.50 H new ATOM 0 HG2 GLU A 37 -2.982 -1.385 -6.948 1.00 15.40 H new ATOM 0 HG3 GLU A 37 -2.267 -0.162 -7.979 1.00 15.40 H new ATOM 597 N TYR A 38 1.380 -3.415 -5.985 1.00 3.33 N ATOM 598 CA TYR A 38 2.635 -4.152 -6.086 1.00 14.40 C ATOM 599 C TYR A 38 2.547 -5.487 -5.354 1.00 32.40 C ATOM 600 O TYR A 38 3.155 -6.474 -5.768 1.00 13.10 O ATOM 601 CB TYR A 38 3.785 -3.319 -5.519 1.00 34.20 C ATOM 602 CG TYR A 38 4.455 -2.434 -6.544 1.00 4.53 C ATOM 603 CD1 TYR A 38 3.879 -1.230 -6.933 1.00 12.20 C ATOM 604 CD2 TYR A 38 5.663 -2.801 -7.124 1.00 23.20 C ATOM 605 CE1 TYR A 38 4.488 -0.418 -7.871 1.00 10.30 C ATOM 606 CE2 TYR A 38 6.278 -1.994 -8.063 1.00 0.52 C ATOM 607 CZ TYR A 38 5.687 -0.804 -8.432 1.00 44.40 C ATOM 608 OH TYR A 38 6.296 0.001 -9.367 1.00 5.50 O ATOM 0 H TYR A 38 1.412 -2.611 -5.358 1.00 3.33 H new ATOM 0 HA TYR A 38 2.825 -4.352 -7.140 1.00 14.40 H new ATOM 0 HB2 TYR A 38 3.407 -2.698 -4.707 1.00 34.20 H new ATOM 0 HB3 TYR A 38 4.529 -3.989 -5.088 1.00 34.20 H new ATOM 0 HD1 TYR A 38 2.940 -0.924 -6.495 1.00 12.20 H new ATOM 0 HD2 TYR A 38 6.129 -3.732 -6.837 1.00 23.20 H new ATOM 0 HE1 TYR A 38 4.027 0.514 -8.163 1.00 10.30 H new ATOM 0 HE2 TYR A 38 7.216 -2.294 -8.505 1.00 0.52 H new ATOM 0 HH TYR A 38 7.133 -0.415 -9.662 1.00 5.50 H new ATOM 618 N PHE A 39 1.789 -5.509 -4.263 1.00 13.30 N ATOM 619 CA PHE A 39 1.625 -6.723 -3.472 1.00 73.30 C ATOM 620 C PHE A 39 0.752 -7.738 -4.204 1.00 54.40 C ATOM 621 O PHE A 39 1.053 -8.932 -4.220 1.00 50.10 O ATOM 622 CB PHE A 39 1.009 -6.390 -2.112 1.00 70.50 C ATOM 623 CG PHE A 39 2.029 -6.114 -1.043 1.00 65.40 C ATOM 624 CD1 PHE A 39 2.903 -7.106 -0.629 1.00 30.20 C ATOM 625 CD2 PHE A 39 2.113 -4.863 -0.454 1.00 32.40 C ATOM 626 CE1 PHE A 39 3.843 -6.855 0.353 1.00 1.05 C ATOM 627 CE2 PHE A 39 3.049 -4.606 0.529 1.00 4.31 C ATOM 628 CZ PHE A 39 3.916 -5.603 0.933 1.00 0.22 C ATOM 0 H PHE A 39 1.279 -4.701 -3.907 1.00 13.30 H new ATOM 0 HA PHE A 39 2.611 -7.163 -3.320 1.00 73.30 H new ATOM 0 HB2 PHE A 39 0.362 -5.520 -2.219 1.00 70.50 H new ATOM 0 HB3 PHE A 39 0.378 -7.220 -1.795 1.00 70.50 H new ATOM 0 HD1 PHE A 39 2.849 -8.087 -1.079 1.00 30.20 H new ATOM 0 HD2 PHE A 39 1.439 -4.079 -0.767 1.00 32.40 H new ATOM 0 HE1 PHE A 39 4.519 -7.636 0.666 1.00 1.05 H new ATOM 0 HE2 PHE A 39 3.103 -3.627 0.981 1.00 4.31 H new ATOM 0 HZ PHE A 39 4.649 -5.404 1.701 1.00 0.22 H new ATOM 638 N LEU A 40 -0.330 -7.257 -4.807 1.00 34.20 N ATOM 639 CA LEU A 40 -1.247 -8.124 -5.538 1.00 34.50 C ATOM 640 C LEU A 40 -0.529 -8.842 -6.678 1.00 23.50 C ATOM 641 O LEU A 40 -0.691 -10.040 -6.864 1.00 73.50 O ATOM 642 CB LEU A 40 -2.420 -7.308 -6.089 1.00 14.10 C ATOM 643 CG LEU A 40 -3.719 -7.424 -5.291 1.00 41.40 C ATOM 644 CD1 LEU A 40 -4.572 -6.178 -5.475 1.00 60.20 C ATOM 645 CD2 LEU A 40 -4.491 -8.668 -5.708 1.00 73.40 C ATOM 0 H LEU A 40 -0.593 -6.272 -4.804 1.00 34.20 H new ATOM 0 HA LEU A 40 -1.628 -8.875 -4.846 1.00 34.50 H new ATOM 0 HB2 LEU A 40 -2.127 -6.259 -6.127 1.00 14.10 H new ATOM 0 HB3 LEU A 40 -2.612 -7.623 -7.115 1.00 14.10 H new ATOM 0 HG LEU A 40 -3.467 -7.514 -4.234 1.00 41.40 H new ATOM 0 HD11 LEU A 40 -5.492 -6.279 -4.900 1.00 60.20 H new ATOM 0 HD12 LEU A 40 -4.020 -5.305 -5.127 1.00 60.20 H new ATOM 0 HD13 LEU A 40 -4.815 -6.056 -6.530 1.00 60.20 H new ATOM 0 HD21 LEU A 40 -5.413 -8.735 -5.130 1.00 73.40 H new ATOM 0 HD22 LEU A 40 -4.732 -8.608 -6.769 1.00 73.40 H new ATOM 0 HD23 LEU A 40 -3.882 -9.553 -5.524 1.00 73.40 H new ATOM 657 N HIS A 41 0.265 -8.093 -7.437 1.00 11.20 N ATOM 658 CA HIS A 41 1.006 -8.660 -8.558 1.00 41.30 C ATOM 659 C HIS A 41 2.038 -9.674 -8.074 1.00 24.50 C ATOM 660 O HIS A 41 2.249 -10.700 -8.707 1.00 41.40 O ATOM 661 CB HIS A 41 1.699 -7.551 -9.352 1.00 54.10 C ATOM 662 CG HIS A 41 2.263 -8.013 -10.650 1.00 44.20 C ATOM 663 ND1 HIS A 41 1.967 -7.409 -11.860 1.00 1.42 N ATOM 664 CD2 HIS A 41 3.111 -9.029 -10.940 1.00 40.40 C ATOM 665 CE1 HIS A 41 2.606 -8.033 -12.830 1.00 3.14 C ATOM 666 NE2 HIS A 41 3.308 -9.019 -12.300 1.00 22.10 N ATOM 0 H HIS A 41 0.412 -7.093 -7.296 1.00 11.20 H new ATOM 0 HA HIS A 41 0.296 -9.173 -9.206 1.00 41.30 H new ATOM 0 HB2 HIS A 41 0.985 -6.749 -9.540 1.00 54.10 H new ATOM 0 HB3 HIS A 41 2.501 -7.128 -8.747 1.00 54.10 H new ATOM 0 HD2 HIS A 41 3.550 -9.718 -10.234 1.00 40.40 H new ATOM 0 HE1 HIS A 41 2.563 -7.781 -13.879 1.00 3.14 H new ATOM 0 HE2 HIS A 41 3.901 -9.668 -12.817 1.00 22.10 H new ATOM 675 N ALA A 42 2.678 -9.370 -6.950 1.00 14.10 N ATOM 676 CA ALA A 42 3.689 -10.250 -6.384 1.00 74.10 C ATOM 677 C ALA A 42 3.102 -11.620 -6.055 1.00 51.20 C ATOM 678 O ALA A 42 3.719 -12.650 -6.323 1.00 2.12 O ATOM 679 CB ALA A 42 4.298 -9.628 -5.139 1.00 12.10 C ATOM 0 H ALA A 42 2.513 -8.519 -6.413 1.00 14.10 H new ATOM 0 HA ALA A 42 4.472 -10.385 -7.130 1.00 74.10 H new ATOM 0 HB1 ALA A 42 5.052 -10.299 -4.728 1.00 12.10 H new ATOM 0 HB2 ALA A 42 4.762 -8.676 -5.397 1.00 12.10 H new ATOM 0 HB3 ALA A 42 3.518 -9.462 -4.396 1.00 12.10 H new ATOM 685 N ILE A 43 1.908 -11.620 -5.472 1.00 33.50 N ATOM 686 CA ILE A 43 1.239 -12.860 -5.104 1.00 63.30 C ATOM 687 C ILE A 43 0.842 -13.660 -6.342 1.00 60.50 C ATOM 688 O ILE A 43 1.111 -14.860 -6.431 1.00 44.50 O ATOM 689 CB ILE A 43 -0.019 -12.590 -4.255 1.00 42.10 C ATOM 690 CG1 ILE A 43 0.316 -11.670 -3.081 1.00 64.00 C ATOM 691 CG2 ILE A 43 -0.611 -13.900 -3.753 1.00 73.20 C ATOM 692 CD1 ILE A 43 -0.804 -10.720 -2.723 1.00 50.20 C ATOM 0 H ILE A 43 1.385 -10.775 -5.245 1.00 33.50 H new ATOM 0 HA ILE A 43 1.949 -13.439 -4.513 1.00 63.30 H new ATOM 0 HB ILE A 43 -0.760 -12.093 -4.882 1.00 42.10 H new ATOM 0 HG12 ILE A 43 0.558 -12.279 -2.210 1.00 64.00 H new ATOM 0 HG13 ILE A 43 1.208 -11.093 -3.325 1.00 64.00 H new ATOM 0 HG21 ILE A 43 -1.499 -13.693 -3.155 1.00 73.20 H new ATOM 0 HG22 ILE A 43 -0.884 -14.525 -4.603 1.00 73.20 H new ATOM 0 HG23 ILE A 43 0.125 -14.421 -3.141 1.00 73.20 H new ATOM 0 HD11 ILE A 43 -0.498 -10.097 -1.882 1.00 50.20 H new ATOM 0 HD12 ILE A 43 -1.031 -10.086 -3.580 1.00 50.20 H new ATOM 0 HD13 ILE A 43 -1.691 -11.291 -2.448 1.00 50.20 H new ATOM 704 N LYS A 44 0.201 -12.990 -7.293 1.00 22.50 N ATOM 705 CA LYS A 44 -0.234 -13.640 -8.525 1.00 3.20 C ATOM 706 C LYS A 44 0.952 -14.230 -9.280 1.00 64.10 C ATOM 707 O LYS A 44 0.953 -15.410 -9.629 1.00 55.50 O ATOM 708 CB LYS A 44 -0.976 -12.640 -9.417 1.00 41.40 C ATOM 709 CG LYS A 44 -2.145 -13.260 -10.170 1.00 73.30 C ATOM 710 CD LYS A 44 -2.357 -12.580 -11.510 1.00 55.30 C ATOM 711 CE LYS A 44 -3.496 -11.570 -11.460 1.00 54.10 C ATOM 712 NZ LYS A 44 -4.504 -11.810 -12.530 1.00 53.20 N ATOM 0 H LYS A 44 -0.029 -11.998 -7.235 1.00 22.50 H new ATOM 0 HA LYS A 44 -0.910 -14.453 -8.258 1.00 3.20 H new ATOM 0 HB2 LYS A 44 -1.343 -11.818 -8.803 1.00 41.40 H new ATOM 0 HB3 LYS A 44 -0.275 -12.214 -10.135 1.00 41.40 H new ATOM 0 HG2 LYS A 44 -1.959 -14.323 -10.324 1.00 73.30 H new ATOM 0 HG3 LYS A 44 -3.052 -13.179 -9.570 1.00 73.30 H new ATOM 0 HD2 LYS A 44 -1.438 -12.077 -11.811 1.00 55.30 H new ATOM 0 HD3 LYS A 44 -2.572 -13.332 -12.269 1.00 55.30 H new ATOM 0 HE2 LYS A 44 -3.983 -11.621 -10.486 1.00 54.10 H new ATOM 0 HE3 LYS A 44 -3.092 -10.563 -11.562 1.00 54.10 H new ATOM 0 HZ1 LYS A 44 -5.261 -11.100 -12.459 1.00 53.20 H new ATOM 0 HZ2 LYS A 44 -4.046 -11.736 -13.461 1.00 53.20 H new ATOM 0 HZ3 LYS A 44 -4.909 -12.761 -12.418 1.00 53.20 H new ATOM 726 N TYR A 45 1.961 -13.400 -9.529 1.00 55.30 N ATOM 727 CA TYR A 45 3.153 -13.840 -10.240 1.00 25.30 C ATOM 728 C TYR A 45 4.017 -14.740 -9.361 1.00 51.00 C ATOM 729 O TYR A 45 4.209 -15.920 -9.656 1.00 1.10 O ATOM 730 CB TYR A 45 3.964 -12.640 -10.710 1.00 74.30 C ATOM 731 CG TYR A 45 3.623 -12.190 -12.120 1.00 45.20 C ATOM 732 CD1 TYR A 45 2.326 -11.830 -12.460 1.00 12.20 C ATOM 733 CD2 TYR A 45 4.599 -12.140 -13.110 1.00 53.00 C ATOM 734 CE1 TYR A 45 2.010 -11.420 -13.740 1.00 3.14 C ATOM 735 CE2 TYR A 45 4.291 -11.730 -14.390 1.00 70.20 C ATOM 736 CZ TYR A 45 2.996 -11.380 -14.700 1.00 73.00 C ATOM 737 OH TYR A 45 2.686 -10.970 -15.980 1.00 65.20 O ATOM 0 H TYR A 45 1.975 -12.420 -9.248 1.00 55.30 H new ATOM 0 HA TYR A 45 2.831 -14.415 -11.108 1.00 25.30 H new ATOM 0 HB2 TYR A 45 3.800 -11.810 -10.023 1.00 74.30 H new ATOM 0 HB3 TYR A 45 5.024 -12.888 -10.663 1.00 74.30 H new ATOM 0 HD1 TYR A 45 1.550 -11.871 -11.710 1.00 12.20 H new ATOM 0 HD2 TYR A 45 5.613 -12.427 -12.873 1.00 53.00 H new ATOM 0 HE1 TYR A 45 0.998 -11.133 -13.986 1.00 3.14 H new ATOM 0 HE2 TYR A 45 5.062 -11.684 -15.145 1.00 70.20 H new ATOM 0 HH TYR A 45 3.492 -10.997 -16.536 1.00 65.20 H new ATOM 747 N GLU A 46 4.537 -14.170 -8.278 1.00 63.00 N ATOM 748 CA GLU A 46 5.382 -14.920 -7.354 1.00 64.30 C ATOM 749 C GLU A 46 4.579 -15.400 -6.150 1.00 15.30 C ATOM 750 O GLU A 46 4.471 -14.710 -5.142 1.00 51.10 O ATOM 751 CB GLU A 46 6.551 -14.050 -6.884 1.00 51.00 C ATOM 752 CG GLU A 46 7.663 -13.920 -7.912 1.00 71.40 C ATOM 753 CD GLU A 46 9.001 -14.410 -7.393 1.00 75.20 C ATOM 754 OE1 GLU A 46 9.529 -13.800 -6.441 1.00 72.40 O ATOM 755 OE2 GLU A 46 9.519 -15.410 -7.938 1.00 4.32 O ATOM 0 H GLU A 46 4.389 -13.195 -8.019 1.00 63.00 H new ATOM 0 HA GLU A 46 5.771 -15.792 -7.881 1.00 64.30 H new ATOM 0 HB2 GLU A 46 6.177 -13.056 -6.637 1.00 51.00 H new ATOM 0 HB3 GLU A 46 6.962 -14.473 -5.967 1.00 51.00 H new ATOM 0 HG2 GLU A 46 7.395 -14.486 -8.804 1.00 71.40 H new ATOM 0 HG3 GLU A 46 7.755 -12.876 -8.212 1.00 71.40 H new ATOM 762 N ALA A 47 4.017 -16.600 -6.265 1.00 11.20 N ATOM 763 CA ALA A 47 3.223 -17.180 -5.186 1.00 33.40 C ATOM 764 C ALA A 47 4.113 -17.890 -4.171 1.00 2.14 C ATOM 765 O ALA A 47 5.203 -18.350 -4.503 1.00 71.00 O ATOM 766 CB ALA A 47 2.190 -18.140 -5.749 1.00 34.10 C ATOM 0 H ALA A 47 4.097 -17.189 -7.094 1.00 11.20 H new ATOM 0 HA ALA A 47 2.706 -16.370 -4.672 1.00 33.40 H new ATOM 0 HB1 ALA A 47 1.605 -18.565 -4.933 1.00 34.10 H new ATOM 0 HB2 ALA A 47 1.528 -17.604 -6.429 1.00 34.10 H new ATOM 0 HB3 ALA A 47 2.694 -18.941 -6.289 1.00 34.10 H new ATOM 772 N HIS A 48 3.641 -17.970 -2.930 1.00 63.50 N ATOM 773 CA HIS A 48 4.392 -18.620 -1.865 1.00 60.40 C ATOM 774 C HIS A 48 3.484 -19.520 -1.033 1.00 53.20 C ATOM 775 O HIS A 48 2.338 -19.780 -1.404 1.00 30.20 O ATOM 776 CB HIS A 48 5.060 -17.570 -0.969 1.00 75.40 C ATOM 777 CG HIS A 48 6.550 -17.530 -1.106 1.00 73.30 C ATOM 778 ND1 HIS A 48 7.199 -16.770 -2.054 1.00 74.40 N ATOM 779 CD2 HIS A 48 7.522 -18.170 -0.406 1.00 20.30 C ATOM 780 CE1 HIS A 48 8.504 -16.940 -1.933 1.00 33.30 C ATOM 781 NE2 HIS A 48 8.725 -17.780 -0.940 1.00 11.40 N ATOM 0 H HIS A 48 2.740 -17.591 -2.639 1.00 63.50 H new ATOM 0 HA HIS A 48 5.165 -19.239 -2.321 1.00 60.40 H new ATOM 0 HB2 HIS A 48 4.654 -16.587 -1.210 1.00 75.40 H new ATOM 0 HB3 HIS A 48 4.804 -17.775 0.070 1.00 75.40 H new ATOM 0 HD2 HIS A 48 7.376 -18.856 0.415 1.00 20.30 H new ATOM 0 HE1 HIS A 48 9.261 -16.471 -2.544 1.00 33.30 H new ATOM 0 HE2 HIS A 48 9.643 -18.090 -0.620 1.00 11.40 H new ATOM 790 N SER A 49 4.002 -19.990 0.095 1.00 1.21 N ATOM 791 CA SER A 49 3.237 -20.870 0.980 1.00 14.30 C ATOM 792 C SER A 49 2.015 -20.140 1.533 1.00 51.50 C ATOM 793 O SER A 49 1.881 -18.930 1.384 1.00 62.10 O ATOM 794 CB SER A 49 4.118 -21.360 2.129 1.00 75.10 C ATOM 795 OG SER A 49 4.510 -22.710 1.926 1.00 53.50 O ATOM 0 H SER A 49 4.945 -19.779 0.421 1.00 1.21 H new ATOM 0 HA SER A 49 2.898 -21.730 0.403 1.00 14.30 H new ATOM 0 HB2 SER A 49 5.003 -20.728 2.209 1.00 75.10 H new ATOM 0 HB3 SER A 49 3.577 -21.272 3.071 1.00 75.10 H new ATOM 0 HG SER A 49 5.074 -23.002 2.672 1.00 53.50 H new ATOM 801 N ASP A 50 1.126 -20.890 2.172 1.00 11.20 N ATOM 802 CA ASP A 50 -0.087 -20.320 2.748 1.00 22.50 C ATOM 803 C ASP A 50 0.251 -19.260 3.790 1.00 13.10 C ATOM 804 O ASP A 50 -0.495 -18.300 3.977 1.00 32.50 O ATOM 805 CB ASP A 50 -0.941 -21.420 3.382 1.00 45.20 C ATOM 806 CG ASP A 50 -1.961 -21.990 2.415 1.00 3.30 C ATOM 807 OD1 ASP A 50 -1.600 -22.900 1.639 1.00 11.10 O ATOM 808 OD2 ASP A 50 -3.120 -21.520 2.434 1.00 33.30 O ATOM 0 H ASP A 50 1.222 -21.897 2.305 1.00 11.20 H new ATOM 0 HA ASP A 50 -0.652 -19.847 1.945 1.00 22.50 H new ATOM 0 HB2 ASP A 50 -0.292 -22.221 3.736 1.00 45.20 H new ATOM 0 HB3 ASP A 50 -1.456 -21.019 4.255 1.00 45.20 H new ATOM 813 N LYS A 51 1.381 -19.440 4.467 1.00 33.20 N ATOM 814 CA LYS A 51 1.818 -18.500 5.490 1.00 1.23 C ATOM 815 C LYS A 51 2.130 -17.130 4.878 1.00 42.00 C ATOM 816 O LYS A 51 1.652 -16.100 5.355 1.00 73.20 O ATOM 817 CB LYS A 51 3.049 -19.040 6.219 1.00 14.10 C ATOM 818 CG LYS A 51 3.033 -18.770 7.717 1.00 51.00 C ATOM 819 CD LYS A 51 4.434 -18.820 8.305 1.00 53.50 C ATOM 820 CE LYS A 51 4.626 -17.740 9.363 1.00 70.50 C ATOM 821 NZ LYS A 51 3.857 -18.040 10.603 1.00 22.30 N ATOM 0 H LYS A 51 2.010 -20.230 4.324 1.00 33.20 H new ATOM 0 HA LYS A 51 1.006 -18.380 6.207 1.00 1.23 H new ATOM 0 HB2 LYS A 51 3.118 -20.115 6.052 1.00 14.10 H new ATOM 0 HB3 LYS A 51 3.944 -18.592 5.786 1.00 14.10 H new ATOM 0 HG2 LYS A 51 2.592 -17.792 7.907 1.00 51.00 H new ATOM 0 HG3 LYS A 51 2.402 -19.506 8.214 1.00 51.00 H new ATOM 0 HD2 LYS A 51 4.611 -19.801 8.746 1.00 53.50 H new ATOM 0 HD3 LYS A 51 5.169 -18.690 7.511 1.00 53.50 H new ATOM 0 HE2 LYS A 51 5.685 -17.651 9.604 1.00 70.50 H new ATOM 0 HE3 LYS A 51 4.309 -16.777 8.962 1.00 70.50 H new ATOM 0 HZ1 LYS A 51 4.012 -17.283 11.299 1.00 22.30 H new ATOM 0 HZ2 LYS A 51 2.844 -18.100 10.377 1.00 22.30 H new ATOM 0 HZ3 LYS A 51 4.177 -18.947 10.999 1.00 22.30 H new ATOM 835 N ALA A 52 2.934 -17.140 3.820 1.00 73.50 N ATOM 836 CA ALA A 52 3.309 -15.900 3.144 1.00 55.30 C ATOM 837 C ALA A 52 2.151 -15.350 2.318 1.00 41.20 C ATOM 838 O ALA A 52 1.976 -14.140 2.208 1.00 2.12 O ATOM 839 CB ALA A 52 4.526 -16.130 2.260 1.00 22.10 C ATOM 0 H ALA A 52 3.336 -17.985 3.414 1.00 73.50 H new ATOM 0 HA ALA A 52 3.559 -15.162 3.906 1.00 55.30 H new ATOM 0 HB1 ALA A 52 4.795 -15.199 1.762 1.00 22.10 H new ATOM 0 HB2 ALA A 52 5.362 -16.469 2.872 1.00 22.10 H new ATOM 0 HB3 ALA A 52 4.294 -16.888 1.512 1.00 22.10 H new ATOM 845 N LYS A 53 1.364 -16.250 1.739 1.00 12.30 N ATOM 846 CA LYS A 53 0.222 -15.850 0.923 1.00 54.10 C ATOM 847 C LYS A 53 -0.860 -15.200 1.778 1.00 44.40 C ATOM 848 O LYS A 53 -1.524 -14.260 1.346 1.00 3.02 O ATOM 849 CB LYS A 53 -0.352 -17.070 0.190 1.00 5.52 C ATOM 850 CG LYS A 53 -1.026 -16.720 -1.128 1.00 51.10 C ATOM 851 CD LYS A 53 -1.161 -17.940 -2.023 1.00 43.20 C ATOM 852 CE LYS A 53 -2.120 -17.680 -3.175 1.00 41.20 C ATOM 853 NZ LYS A 53 -2.214 -18.850 -4.092 1.00 62.50 N ATOM 0 H LYS A 53 1.495 -17.258 1.819 1.00 12.30 H new ATOM 0 HA LYS A 53 0.565 -15.118 0.192 1.00 54.10 H new ATOM 0 HB2 LYS A 53 0.451 -17.782 0.001 1.00 5.52 H new ATOM 0 HB3 LYS A 53 -1.074 -17.568 0.838 1.00 5.52 H new ATOM 0 HG2 LYS A 53 -2.012 -16.299 -0.933 1.00 51.10 H new ATOM 0 HG3 LYS A 53 -0.447 -15.952 -1.642 1.00 51.10 H new ATOM 0 HD2 LYS A 53 -0.182 -18.214 -2.417 1.00 43.20 H new ATOM 0 HD3 LYS A 53 -1.517 -18.787 -1.436 1.00 43.20 H new ATOM 0 HE2 LYS A 53 -3.109 -17.448 -2.779 1.00 41.20 H new ATOM 0 HE3 LYS A 53 -1.787 -16.806 -3.734 1.00 41.20 H new ATOM 0 HZ1 LYS A 53 -2.877 -18.634 -4.864 1.00 62.50 H new ATOM 0 HZ2 LYS A 53 -1.275 -19.056 -4.489 1.00 62.50 H new ATOM 0 HZ3 LYS A 53 -2.556 -19.678 -3.564 1.00 62.50 H new ATOM 867 N GLU A 54 -1.033 -15.710 2.993 1.00 63.20 N ATOM 868 CA GLU A 54 -2.037 -15.180 3.908 1.00 15.50 C ATOM 869 C GLU A 54 -1.595 -13.840 4.480 1.00 74.40 C ATOM 870 O GLU A 54 -2.411 -12.940 4.675 1.00 14.40 O ATOM 871 CB GLU A 54 -2.294 -16.170 5.047 1.00 23.00 C ATOM 872 CG GLU A 54 -3.234 -17.300 4.665 1.00 2.14 C ATOM 873 CD GLU A 54 -4.428 -17.410 5.596 1.00 74.10 C ATOM 874 OE1 GLU A 54 -5.391 -16.640 5.416 1.00 30.50 O ATOM 875 OE2 GLU A 54 -4.398 -18.270 6.503 1.00 13.20 O ATOM 0 H GLU A 54 -0.491 -16.489 3.367 1.00 63.20 H new ATOM 0 HA GLU A 54 -2.960 -15.032 3.348 1.00 15.50 H new ATOM 0 HB2 GLU A 54 -1.343 -16.593 5.372 1.00 23.00 H new ATOM 0 HB3 GLU A 54 -2.712 -15.632 5.898 1.00 23.00 H new ATOM 0 HG2 GLU A 54 -3.587 -17.144 3.645 1.00 2.14 H new ATOM 0 HG3 GLU A 54 -2.685 -18.242 4.672 1.00 2.14 H new ATOM 882 N SER A 55 -0.299 -13.710 4.747 1.00 1.43 N ATOM 883 CA SER A 55 0.251 -12.480 5.297 1.00 42.50 C ATOM 884 C SER A 55 0.096 -11.320 4.312 1.00 24.30 C ATOM 885 O SER A 55 -0.302 -10.220 4.689 1.00 52.40 O ATOM 886 CB SER A 55 1.728 -12.670 5.647 1.00 61.40 C ATOM 887 OG SER A 55 1.878 -13.240 6.935 1.00 54.50 O ATOM 0 H SER A 55 0.390 -14.445 4.590 1.00 1.43 H new ATOM 0 HA SER A 55 -0.305 -12.239 6.203 1.00 42.50 H new ATOM 0 HB2 SER A 55 2.201 -13.312 4.904 1.00 61.40 H new ATOM 0 HB3 SER A 55 2.240 -11.709 5.610 1.00 61.40 H new ATOM 0 HG SER A 55 2.831 -13.353 7.134 1.00 54.50 H new ATOM 893 N ILE A 56 0.415 -11.580 3.049 1.00 41.30 N ATOM 894 CA ILE A 56 0.312 -10.570 2.009 1.00 2.33 C ATOM 895 C ILE A 56 -1.145 -10.250 1.686 1.00 13.40 C ATOM 896 O ILE A 56 -1.510 -9.096 1.485 1.00 14.10 O ATOM 897 CB ILE A 56 1.031 -11.010 0.719 1.00 71.10 C ATOM 898 CG1 ILE A 56 2.455 -11.470 1.031 1.00 31.40 C ATOM 899 CG2 ILE A 56 1.050 -9.873 -0.293 1.00 12.00 C ATOM 900 CD1 ILE A 56 3.010 -12.440 0.015 1.00 71.40 C ATOM 0 H ILE A 56 0.748 -12.487 2.722 1.00 41.30 H new ATOM 0 HA ILE A 56 0.797 -9.674 2.396 1.00 2.33 H new ATOM 0 HB ILE A 56 0.484 -11.848 0.288 1.00 71.10 H new ATOM 0 HG12 ILE A 56 3.107 -10.598 1.083 1.00 31.40 H new ATOM 0 HG13 ILE A 56 2.470 -11.939 2.015 1.00 31.40 H new ATOM 0 HG21 ILE A 56 1.561 -10.200 -1.198 1.00 12.00 H new ATOM 0 HG22 ILE A 56 0.027 -9.586 -0.537 1.00 12.00 H new ATOM 0 HG23 ILE A 56 1.575 -9.017 0.131 1.00 12.00 H new ATOM 0 HD11 ILE A 56 4.023 -12.724 0.299 1.00 71.40 H new ATOM 0 HD12 ILE A 56 2.380 -13.329 -0.021 1.00 71.40 H new ATOM 0 HD13 ILE A 56 3.027 -11.968 -0.967 1.00 71.40 H new ATOM 912 N ARG A 57 -1.973 -11.290 1.633 1.00 62.00 N ATOM 913 CA ARG A 57 -3.390 -11.120 1.331 1.00 41.30 C ATOM 914 C ARG A 57 -4.101 -10.350 2.442 1.00 21.30 C ATOM 915 O ARG A 57 -4.995 -9.553 2.181 1.00 31.00 O ATOM 916 CB ARG A 57 -4.056 -12.480 1.131 1.00 43.40 C ATOM 917 CG ARG A 57 -5.317 -12.430 0.283 1.00 13.40 C ATOM 918 CD ARG A 57 -5.026 -12.750 -1.173 1.00 42.40 C ATOM 919 NE ARG A 57 -6.240 -12.760 -1.985 1.00 21.40 N ATOM 920 CZ ARG A 57 -6.847 -11.660 -2.420 1.00 73.10 C ATOM 921 NH1 ARG A 57 -6.358 -10.460 -2.122 1.00 0.22 N ATOM 922 NH2 ARG A 57 -7.947 -11.750 -3.155 1.00 31.50 N ATOM 0 H ARG A 57 -1.688 -12.256 1.795 1.00 62.00 H new ATOM 0 HA ARG A 57 -3.470 -10.543 0.409 1.00 41.30 H new ATOM 0 HB2 ARG A 57 -3.342 -13.158 0.663 1.00 43.40 H new ATOM 0 HB3 ARG A 57 -4.302 -12.900 2.106 1.00 43.40 H new ATOM 0 HG2 ARG A 57 -6.047 -13.140 0.673 1.00 13.40 H new ATOM 0 HG3 ARG A 57 -5.766 -11.439 0.356 1.00 13.40 H new ATOM 0 HD2 ARG A 57 -4.328 -12.014 -1.573 1.00 42.40 H new ATOM 0 HD3 ARG A 57 -4.537 -13.722 -1.240 1.00 42.40 H new ATOM 0 HE ARG A 57 -6.645 -13.663 -2.233 1.00 21.40 H new ATOM 0 HH11 ARG A 57 -5.513 -10.380 -1.557 1.00 0.22 H new ATOM 0 HH12 ARG A 57 -6.828 -9.620 -2.459 1.00 0.22 H new ATOM 0 HH21 ARG A 57 -8.331 -12.666 -3.389 1.00 31.50 H new ATOM 0 HH22 ARG A 57 -8.409 -10.904 -3.487 1.00 31.50 H new ATOM 936 N ALA A 58 -3.699 -10.610 3.682 1.00 20.40 N ATOM 937 CA ALA A 58 -4.298 -9.948 4.833 1.00 54.10 C ATOM 938 C ALA A 58 -3.857 -8.490 4.918 1.00 34.10 C ATOM 939 O ALA A 58 -4.593 -7.637 5.416 1.00 61.30 O ATOM 940 CB ALA A 58 -3.941 -10.680 6.114 1.00 24.40 C ATOM 0 H ALA A 58 -2.961 -11.275 3.914 1.00 20.40 H new ATOM 0 HA ALA A 58 -5.380 -9.970 4.706 1.00 54.10 H new ATOM 0 HB1 ALA A 58 -4.397 -10.171 6.963 1.00 24.40 H new ATOM 0 HB2 ALA A 58 -4.311 -11.704 6.063 1.00 24.40 H new ATOM 0 HB3 ALA A 58 -2.858 -10.691 6.237 1.00 24.40 H new ATOM 946 N LYS A 59 -2.652 -8.211 4.432 1.00 2.23 N ATOM 947 CA LYS A 59 -2.113 -6.856 4.455 1.00 15.30 C ATOM 948 C LYS A 59 -2.845 -5.960 3.461 1.00 63.50 C ATOM 949 O LYS A 59 -3.075 -4.781 3.726 1.00 12.00 O ATOM 950 CB LYS A 59 -0.618 -6.876 4.137 1.00 44.10 C ATOM 951 CG LYS A 59 0.264 -7.033 5.365 1.00 23.30 C ATOM 952 CD LYS A 59 1.588 -7.696 5.018 1.00 52.20 C ATOM 953 CE LYS A 59 2.584 -7.582 6.161 1.00 11.20 C ATOM 954 NZ LYS A 59 3.978 -7.854 5.713 1.00 50.20 N ATOM 0 H LYS A 59 -2.030 -8.905 4.017 1.00 2.23 H new ATOM 0 HA LYS A 59 -2.260 -6.450 5.456 1.00 15.30 H new ATOM 0 HB2 LYS A 59 -0.413 -7.694 3.446 1.00 44.10 H new ATOM 0 HB3 LYS A 59 -0.352 -5.951 3.625 1.00 44.10 H new ATOM 0 HG2 LYS A 59 0.451 -6.055 5.808 1.00 23.30 H new ATOM 0 HG3 LYS A 59 -0.257 -7.628 6.115 1.00 23.30 H new ATOM 0 HD2 LYS A 59 1.420 -8.747 4.784 1.00 52.20 H new ATOM 0 HD3 LYS A 59 2.005 -7.233 4.123 1.00 52.20 H new ATOM 0 HE2 LYS A 59 2.530 -6.582 6.591 1.00 11.20 H new ATOM 0 HE3 LYS A 59 2.313 -8.284 6.950 1.00 11.20 H new ATOM 0 HZ1 LYS A 59 4.626 -7.766 6.522 1.00 50.20 H new ATOM 0 HZ2 LYS A 59 4.036 -8.817 5.326 1.00 50.20 H new ATOM 0 HZ3 LYS A 59 4.246 -7.169 4.978 1.00 50.20 H new ATOM 968 N CYS A 60 -3.208 -6.528 2.315 1.00 55.00 N ATOM 969 CA CYS A 60 -3.912 -5.780 1.280 1.00 21.00 C ATOM 970 C CYS A 60 -5.280 -5.320 1.774 1.00 30.40 C ATOM 971 O CYS A 60 -5.750 -4.240 1.413 1.00 51.10 O ATOM 972 CB CYS A 60 -4.073 -6.637 0.023 1.00 3.33 C ATOM 973 SG CYS A 60 -2.510 -7.137 -0.735 1.00 74.40 S ATOM 0 H CYS A 60 -3.026 -7.504 2.080 1.00 55.00 H new ATOM 0 HA CYS A 60 -3.319 -4.898 1.038 1.00 21.00 H new ATOM 0 HB2 CYS A 60 -4.644 -7.530 0.276 1.00 3.33 H new ATOM 0 HB3 CYS A 60 -4.658 -6.082 -0.710 1.00 3.33 H new ATOM 0 HG CYS A 60 -1.900 -7.980 0.044 1.00 74.40 H new ATOM 979 N VAL A 61 -5.916 -6.146 2.598 1.00 60.10 N ATOM 980 CA VAL A 61 -7.231 -5.824 3.139 1.00 34.30 C ATOM 981 C VAL A 61 -7.176 -4.588 4.030 1.00 24.50 C ATOM 982 O VAL A 61 -8.006 -3.687 3.910 1.00 54.30 O ATOM 983 CB VAL A 61 -7.807 -7.001 3.950 1.00 33.50 C ATOM 984 CG1 VAL A 61 -9.252 -6.727 4.336 1.00 71.20 C ATOM 985 CG2 VAL A 61 -7.694 -8.297 3.163 1.00 11.50 C ATOM 0 H VAL A 61 -5.542 -7.044 2.906 1.00 60.10 H new ATOM 0 HA VAL A 61 -7.881 -5.624 2.287 1.00 34.30 H new ATOM 0 HB VAL A 61 -7.225 -7.107 4.865 1.00 33.50 H new ATOM 0 HG11 VAL A 61 -9.642 -7.569 4.908 1.00 71.20 H new ATOM 0 HG12 VAL A 61 -9.301 -5.823 4.942 1.00 71.20 H new ATOM 0 HG13 VAL A 61 -9.850 -6.593 3.435 1.00 71.20 H new ATOM 0 HG21 VAL A 61 -8.106 -9.117 3.751 1.00 11.50 H new ATOM 0 HG22 VAL A 61 -8.249 -8.205 2.230 1.00 11.50 H new ATOM 0 HG23 VAL A 61 -6.646 -8.499 2.943 1.00 11.50 H new ATOM 995 N GLN A 62 -6.195 -4.552 4.926 1.00 24.40 N ATOM 996 CA GLN A 62 -6.035 -3.426 5.839 1.00 23.20 C ATOM 997 C GLN A 62 -5.458 -2.212 5.116 1.00 72.30 C ATOM 998 O GLN A 62 -5.748 -1.070 5.473 1.00 30.20 O ATOM 999 CB GLN A 62 -5.131 -3.817 7.010 1.00 13.20 C ATOM 1000 CG GLN A 62 -5.894 -4.173 8.275 1.00 12.30 C ATOM 1001 CD GLN A 62 -5.973 -5.670 8.507 1.00 24.00 C ATOM 1002 OE1 GLN A 62 -6.890 -6.337 8.027 1.00 32.20 O ATOM 1003 NE2 GLN A 62 -5.009 -6.205 9.246 1.00 14.20 N ATOM 0 H GLN A 62 -5.499 -5.289 5.039 1.00 24.40 H new ATOM 0 HA GLN A 62 -7.020 -3.160 6.222 1.00 23.20 H new ATOM 0 HB2 GLN A 62 -4.516 -4.667 6.715 1.00 13.20 H new ATOM 0 HB3 GLN A 62 -4.452 -2.992 7.225 1.00 13.20 H new ATOM 0 HG2 GLN A 62 -5.411 -3.701 9.131 1.00 12.30 H new ATOM 0 HG3 GLN A 62 -6.903 -3.765 8.213 1.00 12.30 H new ATOM 0 HE21 GLN A 62 -4.268 -5.614 9.624 1.00 14.20 H new ATOM 0 HE22 GLN A 62 -5.009 -7.207 9.436 1.00 14.20 H new ATOM 1012 N TYR A 63 -4.641 -2.466 4.100 1.00 32.30 N ATOM 1013 CA TYR A 63 -4.024 -1.392 3.330 1.00 22.30 C ATOM 1014 C TYR A 63 -5.056 -0.677 2.464 1.00 3.25 C ATOM 1015 O TYR A 63 -4.985 0.536 2.270 1.00 44.20 O ATOM 1016 CB TYR A 63 -2.902 -1.948 2.450 1.00 42.30 C ATOM 1017 CG TYR A 63 -1.581 -2.090 3.169 1.00 62.10 C ATOM 1018 CD1 TYR A 63 -1.051 -1.039 3.906 1.00 62.20 C ATOM 1019 CD2 TYR A 63 -0.862 -3.279 3.112 1.00 33.40 C ATOM 1020 CE1 TYR A 63 0.157 -1.166 4.565 1.00 72.20 C ATOM 1021 CE2 TYR A 63 0.346 -3.413 3.768 1.00 61.40 C ATOM 1022 CZ TYR A 63 0.851 -2.355 4.493 1.00 41.20 C ATOM 1023 OH TYR A 63 2.054 -2.485 5.147 1.00 64.00 O ATOM 0 H TYR A 63 -4.391 -3.405 3.791 1.00 32.30 H new ATOM 0 HA TYR A 63 -3.605 -0.671 4.032 1.00 22.30 H new ATOM 0 HB2 TYR A 63 -3.203 -2.922 2.065 1.00 42.30 H new ATOM 0 HB3 TYR A 63 -2.769 -1.293 1.589 1.00 42.30 H new ATOM 0 HD1 TYR A 63 -1.592 -0.106 3.965 1.00 62.20 H new ATOM 0 HD2 TYR A 63 -1.254 -4.111 2.546 1.00 33.40 H new ATOM 0 HE1 TYR A 63 0.555 -0.338 5.133 1.00 72.20 H new ATOM 0 HE2 TYR A 63 0.893 -4.343 3.713 1.00 61.40 H new ATOM 0 HH TYR A 63 2.413 -3.384 4.996 1.00 64.00 H new ATOM 1033 N LEU A 64 -6.015 -1.437 1.944 1.00 44.10 N ATOM 1034 CA LEU A 64 -7.061 -0.876 1.097 1.00 31.20 C ATOM 1035 C LEU A 64 -8.078 -0.096 1.925 1.00 40.50 C ATOM 1036 O LEU A 64 -8.669 0.872 1.448 1.00 54.10 O ATOM 1037 CB LEU A 64 -7.766 -1.989 0.318 1.00 44.00 C ATOM 1038 CG LEU A 64 -7.092 -2.386 -0.995 1.00 43.10 C ATOM 1039 CD1 LEU A 64 -7.291 -3.869 -1.270 1.00 12.50 C ATOM 1040 CD2 LEU A 64 -7.634 -1.551 -2.145 1.00 40.20 C ATOM 0 H LEU A 64 -6.089 -2.443 2.095 1.00 44.10 H new ATOM 0 HA LEU A 64 -6.592 -0.188 0.393 1.00 31.20 H new ATOM 0 HB2 LEU A 64 -7.834 -2.871 0.955 1.00 44.00 H new ATOM 0 HB3 LEU A 64 -8.786 -1.671 0.104 1.00 44.00 H new ATOM 0 HG LEU A 64 -6.023 -2.195 -0.905 1.00 43.10 H new ATOM 0 HD11 LEU A 64 -6.804 -4.133 -2.209 1.00 12.50 H new ATOM 0 HD12 LEU A 64 -6.855 -4.451 -0.458 1.00 12.50 H new ATOM 0 HD13 LEU A 64 -8.357 -4.086 -1.340 1.00 12.50 H new ATOM 0 HD21 LEU A 64 -7.143 -1.847 -3.072 1.00 40.20 H new ATOM 0 HD22 LEU A 64 -8.708 -1.711 -2.236 1.00 40.20 H new ATOM 0 HD23 LEU A 64 -7.439 -0.496 -1.952 1.00 40.20 H new ATOM 1052 N ASP A 65 -8.278 -0.525 3.166 1.00 45.40 N ATOM 1053 CA ASP A 65 -9.225 0.133 4.059 1.00 41.40 C ATOM 1054 C ASP A 65 -8.663 1.453 4.577 1.00 4.33 C ATOM 1055 O ASP A 65 -9.413 2.384 4.871 1.00 72.30 O ATOM 1056 CB ASP A 65 -9.573 -0.786 5.234 1.00 33.20 C ATOM 1057 CG ASP A 65 -11.060 -0.825 5.515 1.00 51.40 C ATOM 1058 OD1 ASP A 65 -11.840 -1.005 4.557 1.00 64.30 O ATOM 1059 OD2 ASP A 65 -11.440 -0.676 6.693 1.00 34.40 O ATOM 0 H ASP A 65 -7.797 -1.325 3.577 1.00 45.40 H new ATOM 0 HA ASP A 65 -10.131 0.346 3.492 1.00 41.40 H new ATOM 0 HB2 ASP A 65 -9.220 -1.795 5.020 1.00 33.20 H new ATOM 0 HB3 ASP A 65 -9.046 -0.446 6.126 1.00 33.20 H new ATOM 1064 N ARG A 66 -7.341 1.527 4.688 1.00 52.40 N ATOM 1065 CA ARG A 66 -6.681 2.734 5.174 1.00 42.40 C ATOM 1066 C ARG A 66 -6.691 3.829 4.111 1.00 31.30 C ATOM 1067 O ARG A 66 -6.751 5.016 4.430 1.00 25.10 O ATOM 1068 CB ARG A 66 -5.241 2.421 5.585 1.00 14.30 C ATOM 1069 CG ARG A 66 -5.103 1.991 7.037 1.00 54.40 C ATOM 1070 CD ARG A 66 -4.593 3.126 7.909 1.00 11.40 C ATOM 1071 NE ARG A 66 -5.678 3.978 8.391 1.00 72.20 N ATOM 1072 CZ ARG A 66 -5.546 4.860 9.379 1.00 75.20 C ATOM 1073 NH1 ARG A 66 -4.378 5.009 9.993 1.00 73.10 N ATOM 1074 NH2 ARG A 66 -6.584 5.595 9.754 1.00 34.30 N ATOM 0 H ARG A 66 -6.705 0.766 4.448 1.00 52.40 H new ATOM 0 HA ARG A 66 -7.232 3.093 6.043 1.00 42.40 H new ATOM 0 HB2 ARG A 66 -4.852 1.631 4.942 1.00 14.30 H new ATOM 0 HB3 ARG A 66 -4.624 3.303 5.416 1.00 14.30 H new ATOM 0 HG2 ARG A 66 -6.069 1.650 7.410 1.00 54.40 H new ATOM 0 HG3 ARG A 66 -4.419 1.145 7.103 1.00 54.40 H new ATOM 0 HD2 ARG A 66 -4.051 2.714 8.760 1.00 11.40 H new ATOM 0 HD3 ARG A 66 -3.884 3.729 7.341 1.00 11.40 H new ATOM 0 HE ARG A 66 -6.591 3.892 7.944 1.00 72.20 H new ATOM 0 HH11 ARG A 66 -3.577 4.446 9.708 1.00 73.10 H new ATOM 0 HH12 ARG A 66 -4.282 5.686 10.750 1.00 73.10 H new ATOM 0 HH21 ARG A 66 -7.483 5.484 9.285 1.00 34.30 H new ATOM 0 HH22 ARG A 66 -6.483 6.271 10.511 1.00 34.30 H new ATOM 1088 N ALA A 67 -6.628 3.422 2.847 1.00 34.40 N ATOM 1089 CA ALA A 67 -6.628 4.370 1.739 1.00 62.30 C ATOM 1090 C ALA A 67 -8.025 4.928 1.489 1.00 55.00 C ATOM 1091 O ALA A 67 -8.182 6.091 1.117 1.00 54.30 O ATOM 1092 CB ALA A 67 -6.089 3.708 0.480 1.00 55.10 C ATOM 0 H ALA A 67 -6.576 2.443 2.565 1.00 34.40 H new ATOM 0 HA ALA A 67 -5.978 5.203 2.007 1.00 62.30 H new ATOM 0 HB1 ALA A 67 -6.094 4.426 -0.340 1.00 55.10 H new ATOM 0 HB2 ALA A 67 -5.069 3.367 0.657 1.00 55.10 H new ATOM 0 HB3 ALA A 67 -6.717 2.856 0.220 1.00 55.10 H new ATOM 1098 N GLU A 68 -9.037 4.091 1.692 1.00 41.40 N ATOM 1099 CA GLU A 68 -10.420 4.500 1.485 1.00 61.40 C ATOM 1100 C GLU A 68 -10.790 5.654 2.412 1.00 1.44 C ATOM 1101 O GLU A 68 -11.540 6.556 2.025 1.00 61.20 O ATOM 1102 CB GLU A 68 -11.360 3.318 1.716 1.00 41.30 C ATOM 1103 CG GLU A 68 -11.630 2.498 0.465 1.00 35.00 C ATOM 1104 CD GLU A 68 -12.570 3.193 -0.500 1.00 34.00 C ATOM 1105 OE1 GLU A 68 -12.390 4.408 -0.731 1.00 12.20 O ATOM 1106 OE2 GLU A 68 -13.480 2.524 -1.023 1.00 23.20 O ATOM 0 H GLU A 68 -8.925 3.125 2.000 1.00 41.40 H new ATOM 0 HA GLU A 68 -10.525 4.841 0.455 1.00 61.40 H new ATOM 0 HB2 GLU A 68 -10.932 2.669 2.480 1.00 41.30 H new ATOM 0 HB3 GLU A 68 -12.307 3.689 2.108 1.00 41.30 H new ATOM 0 HG2 GLU A 68 -10.686 2.291 -0.039 1.00 35.00 H new ATOM 0 HG3 GLU A 68 -12.056 1.536 0.751 1.00 35.00 H new ATOM 1113 N LYS A 69 -10.280 5.615 3.636 1.00 42.00 N ATOM 1114 CA LYS A 69 -10.560 6.656 4.618 1.00 3.12 C ATOM 1115 C LYS A 69 -9.825 7.946 4.285 1.00 63.30 C ATOM 1116 O LYS A 69 -10.290 9.041 4.605 1.00 44.20 O ATOM 1117 CB LYS A 69 -10.180 6.179 6.020 1.00 14.20 C ATOM 1118 CG LYS A 69 -11.300 5.457 6.747 1.00 61.10 C ATOM 1119 CD LYS A 69 -10.840 4.931 8.097 1.00 51.50 C ATOM 1120 CE LYS A 69 -12.000 4.851 9.084 1.00 33.10 C ATOM 1121 NZ LYS A 69 -12.700 3.543 9.008 1.00 73.40 N ATOM 0 H LYS A 69 -9.669 4.872 3.974 1.00 42.00 H new ATOM 0 HA LYS A 69 -11.630 6.862 4.589 1.00 3.12 H new ATOM 0 HB2 LYS A 69 -9.320 5.514 5.946 1.00 14.20 H new ATOM 0 HB3 LYS A 69 -9.869 7.038 6.614 1.00 14.20 H new ATOM 0 HG2 LYS A 69 -12.141 6.136 6.887 1.00 61.10 H new ATOM 0 HG3 LYS A 69 -11.658 4.629 6.135 1.00 61.10 H new ATOM 0 HD2 LYS A 69 -10.396 3.943 7.973 1.00 51.50 H new ATOM 0 HD3 LYS A 69 -10.063 5.582 8.498 1.00 51.50 H new ATOM 0 HE2 LYS A 69 -11.627 5.005 10.096 1.00 33.10 H new ATOM 0 HE3 LYS A 69 -12.708 5.654 8.879 1.00 33.10 H new ATOM 0 HZ1 LYS A 69 -13.482 3.527 9.694 1.00 73.40 H new ATOM 0 HZ2 LYS A 69 -13.078 3.407 8.049 1.00 73.40 H new ATOM 0 HZ3 LYS A 69 -12.031 2.778 9.228 1.00 73.40 H new ATOM 1135 N LEU A 70 -8.669 7.810 3.645 1.00 14.30 N ATOM 1136 CA LEU A 70 -7.862 8.968 3.272 1.00 43.20 C ATOM 1137 C LEU A 70 -8.601 9.854 2.273 1.00 33.40 C ATOM 1138 O LEU A 70 -8.678 11.070 2.445 1.00 11.40 O ATOM 1139 CB LEU A 70 -6.527 8.515 2.679 1.00 63.10 C ATOM 1140 CG LEU A 70 -5.530 7.943 3.690 1.00 31.50 C ATOM 1141 CD1 LEU A 70 -4.311 7.380 2.977 1.00 65.40 C ATOM 1142 CD2 LEU A 70 -5.119 9.011 4.692 1.00 52.10 C ATOM 0 H LEU A 70 -8.269 6.912 3.374 1.00 14.30 H new ATOM 0 HA LEU A 70 -7.674 9.551 4.174 1.00 43.20 H new ATOM 0 HB2 LEU A 70 -6.723 7.760 1.918 1.00 63.10 H new ATOM 0 HB3 LEU A 70 -6.064 9.363 2.175 1.00 63.10 H new ATOM 0 HG LEU A 70 -6.014 7.131 4.232 1.00 31.50 H new ATOM 0 HD11 LEU A 70 -3.613 6.978 3.712 1.00 65.40 H new ATOM 0 HD12 LEU A 70 -4.621 6.586 2.298 1.00 65.40 H new ATOM 0 HD13 LEU A 70 -3.823 8.172 2.409 1.00 65.40 H new ATOM 0 HD21 LEU A 70 -4.410 8.588 5.404 1.00 52.10 H new ATOM 0 HD22 LEU A 70 -4.652 9.843 4.166 1.00 52.10 H new ATOM 0 HD23 LEU A 70 -6.000 9.368 5.226 1.00 52.10 H new ATOM 1154 N LYS A 71 -9.140 9.235 1.227 1.00 21.30 N ATOM 1155 CA LYS A 71 -9.870 9.969 0.198 1.00 32.00 C ATOM 1156 C LYS A 71 -11.120 10.625 0.776 1.00 64.10 C ATOM 1157 O LYS A 71 -11.400 11.794 0.510 1.00 43.30 O ATOM 1158 CB LYS A 71 -10.250 9.033 -0.949 1.00 44.20 C ATOM 1159 CG LYS A 71 -10.240 9.706 -2.312 1.00 0.53 C ATOM 1160 CD LYS A 71 -10.480 8.703 -3.429 1.00 75.10 C ATOM 1161 CE LYS A 71 -10.070 9.266 -4.779 1.00 25.10 C ATOM 1162 NZ LYS A 71 -10.230 8.269 -5.872 1.00 1.34 N ATOM 0 H LYS A 71 -9.085 8.229 1.069 1.00 21.30 H new ATOM 0 HA LYS A 71 -9.219 10.755 -0.184 1.00 32.00 H new ATOM 0 HB2 LYS A 71 -9.558 8.191 -0.964 1.00 44.20 H new ATOM 0 HB3 LYS A 71 -11.244 8.626 -0.761 1.00 44.20 H new ATOM 0 HG2 LYS A 71 -11.008 10.478 -2.343 1.00 0.53 H new ATOM 0 HG3 LYS A 71 -9.282 10.203 -2.467 1.00 0.53 H new ATOM 0 HD2 LYS A 71 -9.918 7.791 -3.228 1.00 75.10 H new ATOM 0 HD3 LYS A 71 -11.535 8.429 -3.453 1.00 75.10 H new ATOM 0 HE2 LYS A 71 -10.671 10.147 -5.002 1.00 25.10 H new ATOM 0 HE3 LYS A 71 -9.031 9.592 -4.735 1.00 25.10 H new ATOM 0 HZ1 LYS A 71 -9.939 8.694 -6.775 1.00 1.34 H new ATOM 0 HZ2 LYS A 71 -9.637 7.438 -5.674 1.00 1.34 H new ATOM 0 HZ3 LYS A 71 -11.226 7.977 -5.932 1.00 1.34 H new ATOM 1176 N ASP A 72 -11.870 9.866 1.565 1.00 63.40 N ATOM 1177 CA ASP A 72 -13.090 10.373 2.176 1.00 75.30 C ATOM 1178 C ASP A 72 -12.790 11.553 3.098 1.00 42.10 C ATOM 1179 O ASP A 72 -13.640 12.428 3.291 1.00 34.30 O ATOM 1180 CB ASP A 72 -13.790 9.260 2.959 1.00 75.50 C ATOM 1181 CG ASP A 72 -15.230 9.057 2.514 1.00 42.00 C ATOM 1182 OD1 ASP A 72 -15.430 8.630 1.359 1.00 45.50 O ATOM 1183 OD2 ASP A 72 -16.140 9.323 3.320 1.00 30.30 O ATOM 0 H ASP A 72 -11.654 8.896 1.796 1.00 63.40 H new ATOM 0 HA ASP A 72 -13.750 10.719 1.381 1.00 75.30 H new ATOM 0 HB2 ASP A 72 -13.239 8.328 2.833 1.00 75.50 H new ATOM 0 HB3 ASP A 72 -13.771 9.500 4.022 1.00 75.50 H new ATOM 1188 N TYR A 73 -11.590 11.569 3.670 1.00 53.10 N ATOM 1189 CA TYR A 73 -11.190 12.639 4.577 1.00 33.30 C ATOM 1190 C TYR A 73 -10.910 13.933 3.821 1.00 15.20 C ATOM 1191 O TYR A 73 -11.410 14.996 4.181 1.00 64.40 O ATOM 1192 CB TYR A 73 -9.963 12.222 5.377 1.00 20.10 C ATOM 1193 CG TYR A 73 -9.518 13.255 6.387 1.00 64.00 C ATOM 1194 CD1 TYR A 73 -8.745 14.343 6.002 1.00 1.31 C ATOM 1195 CD2 TYR A 73 -9.872 13.143 7.726 1.00 32.30 C ATOM 1196 CE1 TYR A 73 -8.336 15.290 6.923 1.00 62.30 C ATOM 1197 CE2 TYR A 73 -9.468 14.085 8.652 1.00 31.00 C ATOM 1198 CZ TYR A 73 -8.701 15.156 8.246 1.00 11.10 C ATOM 1199 OH TYR A 73 -8.297 16.098 9.165 1.00 32.50 O ATOM 0 H TYR A 73 -10.878 10.854 3.522 1.00 53.10 H new ATOM 0 HA TYR A 73 -12.017 12.823 5.262 1.00 33.30 H new ATOM 0 HB2 TYR A 73 -10.178 11.288 5.896 1.00 20.10 H new ATOM 0 HB3 TYR A 73 -9.142 12.022 4.689 1.00 20.10 H new ATOM 0 HD1 TYR A 73 -8.459 14.451 4.966 1.00 1.31 H new ATOM 0 HD2 TYR A 73 -10.473 12.305 8.048 1.00 32.30 H new ATOM 0 HE1 TYR A 73 -7.734 16.130 6.608 1.00 62.30 H new ATOM 0 HE2 TYR A 73 -9.752 13.983 9.689 1.00 31.00 H new ATOM 0 HH TYR A 73 -8.639 15.858 10.052 1.00 32.50 H new ATOM 1209 N LEU A 74 -10.090 13.840 2.775 1.00 30.50 N ATOM 1210 CA LEU A 74 -9.744 15.011 1.979 1.00 53.00 C ATOM 1211 C LEU A 74 -10.930 15.502 1.159 1.00 21.40 C ATOM 1212 O LEU A 74 -11.110 16.705 0.974 1.00 51.40 O ATOM 1213 CB LEU A 74 -8.563 14.695 1.058 1.00 72.40 C ATOM 1214 CG LEU A 74 -8.760 13.492 0.133 1.00 45.30 C ATOM 1215 CD1 LEU A 74 -9.337 13.934 -1.203 1.00 62.10 C ATOM 1216 CD2 LEU A 74 -7.443 12.757 -0.071 1.00 74.40 C ATOM 0 H LEU A 74 -9.657 12.971 2.463 1.00 30.50 H new ATOM 0 HA LEU A 74 -9.461 15.807 2.667 1.00 53.00 H new ATOM 0 HB2 LEU A 74 -8.355 15.573 0.446 1.00 72.40 H new ATOM 0 HB3 LEU A 74 -7.680 14.519 1.673 1.00 72.40 H new ATOM 0 HG LEU A 74 -9.467 12.809 0.603 1.00 45.30 H new ATOM 0 HD11 LEU A 74 -9.470 13.065 -1.847 1.00 62.10 H new ATOM 0 HD12 LEU A 74 -10.301 14.417 -1.041 1.00 62.10 H new ATOM 0 HD13 LEU A 74 -8.654 14.638 -1.679 1.00 62.10 H new ATOM 0 HD21 LEU A 74 -7.601 11.904 -0.731 1.00 74.40 H new ATOM 0 HD22 LEU A 74 -6.715 13.433 -0.519 1.00 74.40 H new ATOM 0 HD23 LEU A 74 -7.069 12.407 0.891 1.00 74.40 H new ATOM 1228 N ARG A 75 -11.740 14.567 0.667 1.00 25.30 N ATOM 1229 CA ARG A 75 -12.910 14.919 -0.134 1.00 2.30 C ATOM 1230 C ARG A 75 -13.950 15.640 0.715 1.00 11.20 C ATOM 1231 O ARG A 75 -14.460 16.692 0.328 1.00 53.10 O ATOM 1232 CB ARG A 75 -13.520 13.666 -0.762 1.00 5.14 C ATOM 1233 CG ARG A 75 -13.120 13.448 -2.210 1.00 50.20 C ATOM 1234 CD ARG A 75 -14.120 12.583 -2.947 1.00 64.30 C ATOM 1235 NE ARG A 75 -13.570 12.010 -4.170 1.00 32.20 N ATOM 1236 CZ ARG A 75 -14.300 11.422 -5.113 1.00 74.30 C ATOM 1237 NH1 ARG A 75 -15.620 11.332 -4.981 1.00 13.30 N ATOM 1238 NH2 ARG A 75 -13.710 10.926 -6.193 1.00 12.30 N ATOM 0 H ARG A 75 -11.609 13.565 0.808 1.00 25.30 H new ATOM 0 HA ARG A 75 -12.589 15.592 -0.929 1.00 2.30 H new ATOM 0 HB2 ARG A 75 -13.221 12.796 -0.178 1.00 5.14 H new ATOM 0 HB3 ARG A 75 -14.606 13.733 -0.701 1.00 5.14 H new ATOM 0 HG2 ARG A 75 -13.034 14.412 -2.712 1.00 50.20 H new ATOM 0 HG3 ARG A 75 -12.137 12.979 -2.249 1.00 50.20 H new ATOM 0 HD2 ARG A 75 -14.453 11.779 -2.291 1.00 64.30 H new ATOM 0 HD3 ARG A 75 -14.999 13.179 -3.192 1.00 64.30 H new ATOM 0 HE ARG A 75 -12.561 12.064 -4.311 1.00 32.20 H new ATOM 0 HH11 ARG A 75 -16.077 11.715 -4.153 1.00 13.30 H new ATOM 0 HH12 ARG A 75 -16.176 10.880 -5.707 1.00 13.30 H new ATOM 0 HH21 ARG A 75 -12.698 10.996 -6.299 1.00 12.30 H new ATOM 0 HH22 ARG A 75 -14.269 10.475 -6.917 1.00 12.30 H new ATOM 1252 N SER A 76 -14.260 15.067 1.871 1.00 74.40 N ATOM 1253 CA SER A 76 -15.250 15.654 2.773 1.00 30.30 C ATOM 1254 C SER A 76 -14.780 17.021 3.269 1.00 31.10 C ATOM 1255 O SER A 76 -15.480 18.022 3.094 1.00 74.30 O ATOM 1256 CB SER A 76 -15.500 14.724 3.963 1.00 23.50 C ATOM 1257 OG SER A 76 -16.350 13.656 3.605 1.00 21.20 O ATOM 0 H SER A 76 -13.843 14.199 2.208 1.00 74.40 H new ATOM 0 HA SER A 76 -16.182 15.784 2.223 1.00 30.30 H new ATOM 0 HB2 SER A 76 -14.551 14.331 4.327 1.00 23.50 H new ATOM 0 HB3 SER A 76 -15.946 15.288 4.782 1.00 23.50 H new ATOM 0 HG SER A 76 -15.810 12.877 3.356 1.00 21.20 H new