USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 278 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 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 160:sc= -1.58! USER MOD Single : A 12 GLN :FLIP amide:sc= -0.67 F(o=-1.6,f=-0.67) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 23:sc= 0.0912 USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= 0.00444 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -1.73 K(o=-1.7,f=-10!) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.559 F(o=-1.3,f=-0.56) USER MOD Single : A 37 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0468) USER MOD ----------------------------------------------------------------- ATOM 42 N TYR A 5 1.914 -6.603 -3.020 1.00 0.00 N ATOM 43 CA TYR A 5 2.799 -5.499 -2.673 1.00 0.00 C ATOM 44 C TYR A 5 3.947 -5.967 -1.788 1.00 0.00 C ATOM 45 O TYR A 5 5.018 -5.361 -1.770 1.00 0.00 O ATOM 46 CB TYR A 5 2.021 -4.403 -1.955 1.00 0.00 C ATOM 47 CG TYR A 5 0.763 -3.983 -2.671 1.00 0.00 C ATOM 48 CD1 TYR A 5 0.805 -3.016 -3.662 1.00 0.00 C ATOM 49 CD2 TYR A 5 -0.467 -4.542 -2.349 1.00 0.00 C ATOM 50 CE1 TYR A 5 -0.338 -2.615 -4.313 1.00 0.00 C ATOM 51 CE2 TYR A 5 -1.619 -4.147 -2.997 1.00 0.00 C ATOM 52 CZ TYR A 5 -1.551 -3.180 -3.978 1.00 0.00 C ATOM 53 OH TYR A 5 -2.697 -2.780 -4.628 1.00 0.00 O ATOM 0 HA TYR A 5 3.214 -5.105 -3.601 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.760 -4.750 -0.955 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.666 -3.533 -1.832 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.752 -2.569 -3.928 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.522 -5.298 -1.579 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.286 -1.860 -5.084 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.568 -4.592 -2.738 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.464 -3.276 -4.274 1.00 0.00 H new ATOM 63 N SER A 6 3.715 -7.049 -1.055 1.00 0.00 N ATOM 64 CA SER A 6 4.724 -7.603 -0.167 1.00 0.00 C ATOM 65 C SER A 6 6.053 -7.797 -0.897 1.00 0.00 C ATOM 66 O SER A 6 7.115 -7.828 -0.276 1.00 0.00 O ATOM 67 CB SER A 6 4.228 -8.925 0.414 1.00 0.00 C ATOM 68 OG SER A 6 5.099 -9.399 1.427 1.00 0.00 O ATOM 0 H SER A 6 2.833 -7.561 -1.060 1.00 0.00 H new ATOM 0 HA SER A 6 4.896 -6.899 0.647 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.227 -8.792 0.824 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.151 -9.668 -0.380 1.00 0.00 H new ATOM 0 HG SER A 6 4.757 -10.246 1.783 1.00 0.00 H new ATOM 74 N SER A 7 5.987 -7.915 -2.223 1.00 0.00 N ATOM 75 CA SER A 7 7.183 -8.091 -3.038 1.00 0.00 C ATOM 76 C SER A 7 7.581 -6.776 -3.708 1.00 0.00 C ATOM 77 O SER A 7 8.747 -6.566 -4.041 1.00 0.00 O ATOM 78 CB SER A 7 6.948 -9.167 -4.099 1.00 0.00 C ATOM 79 OG SER A 7 6.414 -10.347 -3.522 1.00 0.00 O ATOM 0 H SER A 7 5.116 -7.892 -2.753 1.00 0.00 H new ATOM 0 HA SER A 7 7.996 -8.407 -2.385 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.264 -8.789 -4.859 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.887 -9.397 -4.602 1.00 0.00 H new ATOM 0 HG SER A 7 6.272 -11.018 -4.222 1.00 0.00 H new ATOM 85 N LEU A 8 6.602 -5.892 -3.901 1.00 0.00 N ATOM 86 CA LEU A 8 6.848 -4.594 -4.528 1.00 0.00 C ATOM 87 C LEU A 8 7.899 -3.805 -3.752 1.00 0.00 C ATOM 88 O LEU A 8 8.592 -4.353 -2.895 1.00 0.00 O ATOM 89 CB LEU A 8 5.544 -3.792 -4.603 1.00 0.00 C ATOM 90 CG LEU A 8 4.966 -3.607 -6.009 1.00 0.00 C ATOM 91 CD1 LEU A 8 3.787 -4.539 -6.221 1.00 0.00 C ATOM 92 CD2 LEU A 8 4.546 -2.161 -6.230 1.00 0.00 C ATOM 0 H LEU A 8 5.631 -6.051 -3.632 1.00 0.00 H new ATOM 0 HA LEU A 8 7.223 -4.767 -5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.796 -4.288 -3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.717 -2.808 -4.167 1.00 0.00 H new ATOM 0 HG LEU A 8 5.740 -3.854 -6.735 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.386 -4.396 -7.225 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.114 -5.572 -6.104 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.012 -4.319 -5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.138 -2.050 -7.235 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.787 -1.887 -5.498 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.412 -1.509 -6.116 1.00 0.00 H new ATOM 104 N THR A 9 8.007 -2.513 -4.052 1.00 0.00 N ATOM 105 CA THR A 9 8.967 -1.650 -3.374 1.00 0.00 C ATOM 106 C THR A 9 8.249 -0.633 -2.497 1.00 0.00 C ATOM 107 O THR A 9 7.090 -0.297 -2.739 1.00 0.00 O ATOM 108 CB THR A 9 9.863 -0.925 -4.384 1.00 0.00 C ATOM 109 OG1 THR A 9 10.325 0.306 -3.849 1.00 0.00 O ATOM 110 CG2 THR A 9 9.177 -0.623 -5.699 1.00 0.00 C ATOM 0 H THR A 9 7.442 -2.043 -4.759 1.00 0.00 H new ATOM 0 HA THR A 9 9.594 -2.281 -2.744 1.00 0.00 H new ATOM 0 HB THR A 9 10.687 -1.612 -4.577 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.122 0.598 -4.340 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.873 -0.110 -6.363 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.853 -1.555 -6.163 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.310 0.013 -5.520 1.00 0.00 H new ATOM 118 N VAL A 10 8.947 -0.141 -1.484 1.00 0.00 N ATOM 119 CA VAL A 10 8.379 0.843 -0.575 1.00 0.00 C ATOM 120 C VAL A 10 7.963 2.101 -1.322 1.00 0.00 C ATOM 121 O VAL A 10 7.009 2.770 -0.939 1.00 0.00 O ATOM 122 CB VAL A 10 9.384 1.239 0.519 1.00 0.00 C ATOM 123 CG1 VAL A 10 9.554 0.114 1.529 1.00 0.00 C ATOM 124 CG2 VAL A 10 10.717 1.616 -0.109 1.00 0.00 C ATOM 0 H VAL A 10 9.908 -0.407 -1.271 1.00 0.00 H new ATOM 0 HA VAL A 10 7.505 0.380 -0.117 1.00 0.00 H new ATOM 0 HB VAL A 10 8.997 2.107 1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.270 0.417 2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.594 -0.103 1.996 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.921 -0.778 1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.422 1.895 0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.111 0.765 -0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.575 2.458 -0.786 1.00 0.00 H new ATOM 134 N VAL A 11 8.694 2.419 -2.386 1.00 0.00 N ATOM 135 CA VAL A 11 8.409 3.606 -3.180 1.00 0.00 C ATOM 136 C VAL A 11 7.126 3.443 -3.982 1.00 0.00 C ATOM 137 O VAL A 11 6.300 4.355 -4.051 1.00 0.00 O ATOM 138 CB VAL A 11 9.575 3.929 -4.139 1.00 0.00 C ATOM 139 CG1 VAL A 11 10.899 3.845 -3.401 1.00 0.00 C ATOM 140 CG2 VAL A 11 9.580 2.992 -5.340 1.00 0.00 C ATOM 0 H VAL A 11 9.488 1.870 -2.717 1.00 0.00 H new ATOM 0 HA VAL A 11 8.284 4.433 -2.481 1.00 0.00 H new ATOM 0 HB VAL A 11 9.436 4.945 -4.507 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.714 4.075 -4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.904 4.562 -2.580 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.032 2.838 -3.005 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.413 3.246 -5.996 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.688 1.963 -4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.643 3.096 -5.887 1.00 0.00 H new ATOM 150 N GLN A 12 6.964 2.274 -4.582 1.00 0.00 N ATOM 151 CA GLN A 12 5.782 1.991 -5.378 1.00 0.00 C ATOM 152 C GLN A 12 4.583 1.779 -4.475 1.00 0.00 C ATOM 153 O GLN A 12 3.477 2.219 -4.783 1.00 0.00 O ATOM 154 CB GLN A 12 6.004 0.757 -6.253 1.00 0.00 C ATOM 155 CG GLN A 12 6.944 1.003 -7.422 1.00 0.00 C ATOM 156 CD GLN A 12 7.182 -0.243 -8.251 1.00 0.00 C ATOM 157 OE1 GLN A 12 8.447 -0.527 -8.542 1.00 0.00 O flip ATOM 158 NE2 GLN A 12 6.241 -0.943 -8.627 1.00 0.00 N flip ATOM 0 H GLN A 12 7.635 1.508 -4.533 1.00 0.00 H new ATOM 0 HA GLN A 12 5.591 2.846 -6.027 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.406 -0.048 -5.637 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.042 0.415 -6.636 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.529 1.785 -8.059 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.898 1.372 -7.045 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.285 -0.687 -8.380 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.418 -1.778 -9.185 1.00 0.00 H new ATOM 167 N LEU A 13 4.818 1.102 -3.358 1.00 0.00 N ATOM 168 CA LEU A 13 3.762 0.822 -2.401 1.00 0.00 C ATOM 169 C LEU A 13 3.146 2.111 -1.867 1.00 0.00 C ATOM 170 O LEU A 13 1.931 2.292 -1.913 1.00 0.00 O ATOM 171 CB LEU A 13 4.297 -0.029 -1.248 1.00 0.00 C ATOM 172 CG LEU A 13 3.896 -1.506 -1.303 1.00 0.00 C ATOM 173 CD1 LEU A 13 5.027 -2.346 -1.870 1.00 0.00 C ATOM 174 CD2 LEU A 13 3.503 -2.010 0.075 1.00 0.00 C ATOM 0 H LEU A 13 5.733 0.737 -3.095 1.00 0.00 H new ATOM 0 HA LEU A 13 2.981 0.263 -2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.385 0.038 -1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.944 0.394 -0.308 1.00 0.00 H new ATOM 0 HG LEU A 13 3.032 -1.598 -1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.723 -3.392 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.262 -2.006 -2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.909 -2.243 -1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.222 -3.061 0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.346 -1.900 0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.658 -1.431 0.447 1.00 0.00 H new ATOM 186 N LYS A 14 3.983 3.002 -1.355 1.00 0.00 N ATOM 187 CA LYS A 14 3.499 4.263 -0.812 1.00 0.00 C ATOM 188 C LYS A 14 3.022 5.205 -1.914 1.00 0.00 C ATOM 189 O LYS A 14 2.114 6.007 -1.701 1.00 0.00 O ATOM 190 CB LYS A 14 4.588 4.940 0.016 1.00 0.00 C ATOM 191 CG LYS A 14 5.768 5.421 -0.810 1.00 0.00 C ATOM 192 CD LYS A 14 6.765 6.205 0.033 1.00 0.00 C ATOM 193 CE LYS A 14 6.075 7.244 0.903 1.00 0.00 C ATOM 194 NZ LYS A 14 6.887 8.484 1.040 1.00 0.00 N ATOM 0 H LYS A 14 4.994 2.877 -1.304 1.00 0.00 H new ATOM 0 HA LYS A 14 2.647 4.037 -0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.155 5.789 0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.945 4.241 0.772 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.268 4.565 -1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.409 6.048 -1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.327 5.517 0.665 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.485 6.698 -0.620 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.105 7.492 0.472 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.887 6.823 1.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.381 9.166 1.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.803 8.253 1.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.045 8.901 0.100 1.00 0.00 H new ATOM 208 N ASP A 15 3.630 5.106 -3.094 1.00 0.00 N ATOM 209 CA ASP A 15 3.245 5.957 -4.212 1.00 0.00 C ATOM 210 C ASP A 15 1.821 5.636 -4.643 1.00 0.00 C ATOM 211 O ASP A 15 0.961 6.519 -4.741 1.00 0.00 O ATOM 212 CB ASP A 15 4.212 5.766 -5.384 1.00 0.00 C ATOM 213 CG ASP A 15 3.868 6.647 -6.569 1.00 0.00 C ATOM 214 OD1 ASP A 15 3.212 7.690 -6.362 1.00 0.00 O ATOM 215 OD2 ASP A 15 4.255 6.296 -7.703 1.00 0.00 O ATOM 0 H ASP A 15 4.384 4.450 -3.298 1.00 0.00 H new ATOM 0 HA ASP A 15 3.290 6.999 -3.894 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.227 5.987 -5.053 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.199 4.722 -5.696 1.00 0.00 H new ATOM 220 N LEU A 16 1.562 4.357 -4.867 1.00 0.00 N ATOM 221 CA LEU A 16 0.239 3.923 -5.253 1.00 0.00 C ATOM 222 C LEU A 16 -0.719 4.185 -4.107 1.00 0.00 C ATOM 223 O LEU A 16 -1.875 4.538 -4.321 1.00 0.00 O ATOM 224 CB LEU A 16 0.259 2.434 -5.646 1.00 0.00 C ATOM 225 CG LEU A 16 -0.266 1.436 -4.603 1.00 0.00 C ATOM 226 CD1 LEU A 16 -1.176 0.406 -5.256 1.00 0.00 C ATOM 227 CD2 LEU A 16 0.888 0.744 -3.900 1.00 0.00 C ATOM 0 H LEU A 16 2.250 3.609 -4.787 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.098 4.484 -6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.329 2.315 -6.556 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.285 2.161 -5.891 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.844 1.990 -3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.537 -0.292 -4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.024 0.911 -5.719 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.620 -0.140 -6.018 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.497 0.041 -3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.490 0.206 -4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.507 1.488 -3.398 1.00 0.00 H new ATOM 239 N LEU A 17 -0.209 4.009 -2.886 1.00 0.00 N ATOM 240 CA LEU A 17 -0.999 4.211 -1.678 1.00 0.00 C ATOM 241 C LEU A 17 -1.666 5.571 -1.667 1.00 0.00 C ATOM 242 O LEU A 17 -2.889 5.676 -1.565 1.00 0.00 O ATOM 243 CB LEU A 17 -0.095 4.109 -0.459 1.00 0.00 C ATOM 244 CG LEU A 17 -0.007 2.732 0.169 1.00 0.00 C ATOM 245 CD1 LEU A 17 1.056 2.726 1.257 1.00 0.00 C ATOM 246 CD2 LEU A 17 -1.363 2.323 0.720 1.00 0.00 C ATOM 0 H LEU A 17 0.755 3.725 -2.711 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.772 3.443 -1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.909 4.425 -0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.449 4.812 0.295 1.00 0.00 H new ATOM 0 HG LEU A 17 0.281 2.005 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.114 1.733 1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.022 2.985 0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.795 3.455 2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.290 1.333 1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.680 3.041 1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.093 2.301 -0.089 1.00 0.00 H new ATOM 258 N THR A 18 -0.860 6.614 -1.793 1.00 0.00 N ATOM 259 CA THR A 18 -1.394 7.965 -1.818 1.00 0.00 C ATOM 260 C THR A 18 -2.258 8.119 -3.059 1.00 0.00 C ATOM 261 O THR A 18 -3.218 8.887 -3.073 1.00 0.00 O ATOM 262 CB THR A 18 -0.279 9.025 -1.786 1.00 0.00 C ATOM 263 OG1 THR A 18 -0.625 10.151 -2.574 1.00 0.00 O ATOM 264 CG2 THR A 18 1.063 8.524 -2.275 1.00 0.00 C ATOM 0 H THR A 18 0.155 6.552 -1.879 1.00 0.00 H new ATOM 0 HA THR A 18 -1.996 8.126 -0.923 1.00 0.00 H new ATOM 0 HB THR A 18 -0.183 9.289 -0.733 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.098 10.811 -2.537 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.794 9.331 -2.221 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.391 7.694 -1.649 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.971 8.186 -3.307 1.00 0.00 H new ATOM 272 N LYS A 19 -1.913 7.359 -4.098 1.00 0.00 N ATOM 273 CA LYS A 19 -2.665 7.393 -5.338 1.00 0.00 C ATOM 274 C LYS A 19 -4.047 6.746 -5.170 1.00 0.00 C ATOM 275 O LYS A 19 -4.957 7.011 -5.955 1.00 0.00 O ATOM 276 CB LYS A 19 -1.889 6.684 -6.448 1.00 0.00 C ATOM 277 CG LYS A 19 -1.003 7.612 -7.262 1.00 0.00 C ATOM 278 CD LYS A 19 -0.244 6.854 -8.340 1.00 0.00 C ATOM 279 CE LYS A 19 1.094 7.508 -8.643 1.00 0.00 C ATOM 280 NZ LYS A 19 1.474 7.357 -10.075 1.00 0.00 N ATOM 0 H LYS A 19 -1.120 6.717 -4.100 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.810 8.438 -5.612 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.272 5.902 -6.005 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.596 6.192 -7.116 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.614 8.388 -7.723 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.295 8.113 -6.602 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.083 5.825 -8.018 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.844 6.813 -9.249 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.046 8.567 -8.390 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.866 7.064 -8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.392 7.816 -10.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.545 6.347 -10.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.751 7.803 -10.675 1.00 0.00 H new ATOM 351 N SER A 23 -3.139 6.151 2.465 1.00 0.00 N ATOM 352 CA SER A 23 -1.975 6.842 2.995 1.00 0.00 C ATOM 353 C SER A 23 -0.761 5.931 3.025 1.00 0.00 C ATOM 354 O SER A 23 -0.808 4.789 2.568 1.00 0.00 O ATOM 355 CB SER A 23 -2.238 7.376 4.399 1.00 0.00 C ATOM 356 OG SER A 23 -3.389 8.201 4.432 1.00 0.00 O ATOM 0 HA SER A 23 -1.774 7.681 2.329 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.367 6.542 5.089 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.373 7.943 4.742 1.00 0.00 H new ATOM 0 HG SER A 23 -3.971 7.981 3.675 1.00 0.00 H new ATOM 362 N VAL A 24 0.326 6.458 3.563 1.00 0.00 N ATOM 363 CA VAL A 24 1.570 5.721 3.660 1.00 0.00 C ATOM 364 C VAL A 24 2.149 5.791 5.075 1.00 0.00 C ATOM 365 O VAL A 24 3.214 5.239 5.346 1.00 0.00 O ATOM 366 CB VAL A 24 2.600 6.264 2.653 1.00 0.00 C ATOM 367 CG1 VAL A 24 1.942 6.479 1.300 1.00 0.00 C ATOM 368 CG2 VAL A 24 3.214 7.560 3.166 1.00 0.00 C ATOM 0 H VAL A 24 0.369 7.404 3.942 1.00 0.00 H new ATOM 0 HA VAL A 24 1.353 4.679 3.426 1.00 0.00 H new ATOM 0 HB VAL A 24 3.400 5.532 2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.678 6.863 0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.547 5.532 0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.128 7.196 1.401 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.940 7.930 2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.430 8.304 3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.713 7.375 4.117 1.00 0.00 H new ATOM 378 N GLY A 25 1.442 6.471 5.975 1.00 0.00 N ATOM 379 CA GLY A 25 1.904 6.584 7.345 1.00 0.00 C ATOM 380 C GLY A 25 1.804 5.268 8.090 1.00 0.00 C ATOM 381 O GLY A 25 1.095 5.161 9.091 1.00 0.00 O ATOM 0 H GLY A 25 0.560 6.944 5.779 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.939 6.926 7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.315 7.340 7.865 1.00 0.00 H new ATOM 385 N GLY A 26 2.518 4.261 7.596 1.00 0.00 N ATOM 386 CA GLY A 26 2.505 2.955 8.217 1.00 0.00 C ATOM 387 C GLY A 26 3.814 2.226 8.000 1.00 0.00 C ATOM 388 O GLY A 26 4.730 2.333 8.811 1.00 0.00 O ATOM 0 H GLY A 26 3.110 4.331 6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.319 3.061 9.286 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.686 2.364 7.808 1.00 0.00 H new ATOM 392 N LEU A 27 3.898 1.488 6.894 1.00 0.00 N ATOM 393 CA LEU A 27 5.098 0.735 6.544 1.00 0.00 C ATOM 394 C LEU A 27 4.811 -0.203 5.379 1.00 0.00 C ATOM 395 O LEU A 27 3.656 -0.423 5.032 1.00 0.00 O ATOM 396 CB LEU A 27 5.594 -0.063 7.746 1.00 0.00 C ATOM 397 CG LEU A 27 7.034 0.225 8.171 1.00 0.00 C ATOM 398 CD1 LEU A 27 8.012 -0.327 7.149 1.00 0.00 C ATOM 399 CD2 LEU A 27 7.258 1.722 8.365 1.00 0.00 C ATOM 0 H LEU A 27 3.139 1.396 6.219 1.00 0.00 H new ATOM 0 HA LEU A 27 5.874 1.440 6.247 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.936 0.138 8.591 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.505 -1.125 7.518 1.00 0.00 H new ATOM 0 HG LEU A 27 7.209 -0.272 9.125 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.032 -0.112 7.468 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.878 -1.405 7.063 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.829 0.140 6.181 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.290 1.899 8.667 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.059 2.244 7.429 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.585 2.093 9.138 1.00 0.00 H new ATOM 411 N LYS A 28 5.860 -0.754 4.776 1.00 0.00 N ATOM 412 CA LYS A 28 5.693 -1.664 3.647 1.00 0.00 C ATOM 413 C LYS A 28 4.659 -2.744 3.961 1.00 0.00 C ATOM 414 O LYS A 28 3.646 -2.862 3.271 1.00 0.00 O ATOM 415 CB LYS A 28 7.029 -2.312 3.282 1.00 0.00 C ATOM 416 CG LYS A 28 7.184 -2.584 1.794 1.00 0.00 C ATOM 417 CD LYS A 28 8.545 -3.183 1.474 1.00 0.00 C ATOM 418 CE LYS A 28 8.557 -3.835 0.102 1.00 0.00 C ATOM 419 NZ LYS A 28 9.574 -4.920 0.011 1.00 0.00 N ATOM 0 H LYS A 28 6.829 -0.588 5.048 1.00 0.00 H new ATOM 0 HA LYS A 28 5.336 -1.082 2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.841 -1.663 3.611 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.130 -3.250 3.827 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.399 -3.265 1.464 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.055 -1.655 1.238 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.306 -2.403 1.514 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.806 -3.922 2.232 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.570 -4.244 -0.114 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.763 -3.080 -0.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.707 -5.188 -0.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.477 -4.583 0.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.249 -5.747 0.552 1.00 0.00 H new ATOM 433 N ASN A 29 4.905 -3.518 5.016 1.00 0.00 N ATOM 434 CA ASN A 29 3.975 -4.571 5.415 1.00 0.00 C ATOM 435 C ASN A 29 2.588 -3.983 5.632 1.00 0.00 C ATOM 436 O ASN A 29 1.581 -4.533 5.178 1.00 0.00 O ATOM 437 CB ASN A 29 4.462 -5.269 6.687 1.00 0.00 C ATOM 438 CG ASN A 29 4.497 -4.341 7.886 1.00 0.00 C ATOM 439 OD1 ASN A 29 4.682 -3.133 7.744 1.00 0.00 O ATOM 440 ND2 ASN A 29 4.321 -4.904 9.076 1.00 0.00 N ATOM 0 H ASN A 29 5.733 -3.437 5.605 1.00 0.00 H new ATOM 0 HA ASN A 29 3.925 -5.312 4.618 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.809 -6.114 6.906 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.460 -5.673 6.516 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.336 -4.330 9.919 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.171 -5.910 9.147 1.00 0.00 H new ATOM 447 N GLU A 30 2.550 -2.845 6.312 1.00 0.00 N ATOM 448 CA GLU A 30 1.299 -2.153 6.575 1.00 0.00 C ATOM 449 C GLU A 30 0.697 -1.639 5.271 1.00 0.00 C ATOM 450 O GLU A 30 -0.520 -1.504 5.144 1.00 0.00 O ATOM 451 CB GLU A 30 1.534 -0.990 7.539 1.00 0.00 C ATOM 452 CG GLU A 30 1.391 -1.375 9.002 1.00 0.00 C ATOM 453 CD GLU A 30 0.399 -0.500 9.743 1.00 0.00 C ATOM 454 OE1 GLU A 30 -0.162 -0.966 10.758 1.00 0.00 O ATOM 455 OE2 GLU A 30 0.181 0.651 9.309 1.00 0.00 O ATOM 0 H GLU A 30 3.375 -2.381 6.692 1.00 0.00 H new ATOM 0 HA GLU A 30 0.600 -2.854 7.032 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.534 -0.588 7.374 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.828 -0.192 7.311 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.073 -2.415 9.070 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.364 -1.306 9.488 1.00 0.00 H new ATOM 462 N TRP A 31 1.568 -1.346 4.308 1.00 0.00 N ATOM 463 CA TRP A 31 1.145 -0.837 3.013 1.00 0.00 C ATOM 464 C TRP A 31 0.483 -1.932 2.189 1.00 0.00 C ATOM 465 O TRP A 31 -0.589 -1.729 1.623 1.00 0.00 O ATOM 466 CB TRP A 31 2.344 -0.238 2.277 1.00 0.00 C ATOM 467 CG TRP A 31 2.831 1.023 2.920 1.00 0.00 C ATOM 468 CD1 TRP A 31 2.183 1.731 3.891 1.00 0.00 C ATOM 469 CD2 TRP A 31 4.058 1.724 2.664 1.00 0.00 C ATOM 470 NE1 TRP A 31 2.919 2.825 4.247 1.00 0.00 N ATOM 471 CE2 TRP A 31 4.074 2.845 3.516 1.00 0.00 C ATOM 472 CE3 TRP A 31 5.144 1.522 1.803 1.00 0.00 C ATOM 473 CZ2 TRP A 31 5.124 3.753 3.534 1.00 0.00 C ATOM 474 CZ3 TRP A 31 6.188 2.428 1.825 1.00 0.00 C ATOM 475 CH2 TRP A 31 6.173 3.530 2.686 1.00 0.00 C ATOM 0 H TRP A 31 2.578 -1.455 4.405 1.00 0.00 H new ATOM 0 HA TRP A 31 0.404 -0.052 3.166 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.154 -0.967 2.252 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.068 -0.033 1.243 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.227 1.464 4.316 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.650 3.517 4.947 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.165 0.674 1.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.113 4.607 4.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.031 2.282 1.165 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.006 4.218 2.681 1.00 0.00 H new ATOM 486 N VAL A 32 1.110 -3.101 2.146 1.00 0.00 N ATOM 487 CA VAL A 32 0.548 -4.221 1.406 1.00 0.00 C ATOM 488 C VAL A 32 -0.774 -4.641 2.035 1.00 0.00 C ATOM 489 O VAL A 32 -1.709 -5.031 1.341 1.00 0.00 O ATOM 490 CB VAL A 32 1.509 -5.429 1.362 1.00 0.00 C ATOM 491 CG1 VAL A 32 1.834 -5.920 2.765 1.00 0.00 C ATOM 492 CG2 VAL A 32 0.917 -6.553 0.520 1.00 0.00 C ATOM 0 H VAL A 32 1.998 -3.296 2.609 1.00 0.00 H new ATOM 0 HA VAL A 32 0.387 -3.890 0.380 1.00 0.00 H new ATOM 0 HB VAL A 32 2.440 -5.104 0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.512 -6.771 2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.308 -5.118 3.331 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.915 -6.223 3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.608 -7.396 0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.031 -6.871 0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.750 -6.197 -0.497 1.00 0.00 H new ATOM 502 N GLN A 33 -0.844 -4.550 3.359 1.00 0.00 N ATOM 503 CA GLN A 33 -2.053 -4.913 4.086 1.00 0.00 C ATOM 504 C GLN A 33 -3.187 -3.934 3.791 1.00 0.00 C ATOM 505 O GLN A 33 -4.310 -4.345 3.498 1.00 0.00 O ATOM 506 CB GLN A 33 -1.776 -4.953 5.590 1.00 0.00 C ATOM 507 CG GLN A 33 -0.972 -6.165 6.030 1.00 0.00 C ATOM 508 CD GLN A 33 -1.594 -7.472 5.578 1.00 0.00 C ATOM 509 OE1 GLN A 33 -1.267 -7.893 4.362 1.00 0.00 O flip ATOM 510 NE2 GLN A 33 -2.359 -8.096 6.314 1.00 0.00 N flip ATOM 0 H GLN A 33 -0.077 -4.228 3.950 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.361 -5.904 3.752 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.239 -4.048 5.876 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.725 -4.943 6.126 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.039 -6.090 5.630 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.886 -6.164 7.117 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.582 -7.735 7.241 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.769 -8.974 5.996 1.00 0.00 H new ATOM 519 N ARG A 34 -2.893 -2.635 3.870 1.00 0.00 N ATOM 520 CA ARG A 34 -3.904 -1.614 3.609 1.00 0.00 C ATOM 521 C ARG A 34 -4.324 -1.620 2.140 1.00 0.00 C ATOM 522 O ARG A 34 -5.509 -1.498 1.830 1.00 0.00 O ATOM 523 CB ARG A 34 -3.406 -0.228 4.029 1.00 0.00 C ATOM 524 CG ARG A 34 -2.239 0.281 3.215 1.00 0.00 C ATOM 525 CD ARG A 34 -1.954 1.740 3.528 1.00 0.00 C ATOM 526 NE ARG A 34 -1.842 1.990 4.964 1.00 0.00 N ATOM 527 CZ ARG A 34 -2.441 2.997 5.599 1.00 0.00 C ATOM 528 NH1 ARG A 34 -3.199 3.862 4.936 1.00 0.00 N ATOM 529 NH2 ARG A 34 -2.273 3.143 6.906 1.00 0.00 N ATOM 0 H ARG A 34 -1.972 -2.269 4.110 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.782 -1.853 4.210 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.229 0.482 3.948 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.116 -0.261 5.079 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.354 -0.320 3.426 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.455 0.168 2.153 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.029 2.040 3.036 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.750 2.360 3.115 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.268 1.352 5.516 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.328 3.760 3.929 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.652 4.629 5.433 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.687 2.486 7.421 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.730 3.912 7.396 1.00 0.00 H new ATOM 543 N LEU A 35 -3.357 -1.783 1.235 1.00 0.00 N ATOM 544 CA LEU A 35 -3.662 -1.826 -0.192 1.00 0.00 C ATOM 545 C LEU A 35 -4.541 -3.035 -0.492 1.00 0.00 C ATOM 546 O LEU A 35 -5.604 -2.910 -1.100 1.00 0.00 O ATOM 547 CB LEU A 35 -2.381 -1.914 -1.024 1.00 0.00 C ATOM 548 CG LEU A 35 -1.457 -0.696 -0.974 1.00 0.00 C ATOM 549 CD1 LEU A 35 -0.101 -1.057 -1.550 1.00 0.00 C ATOM 550 CD2 LEU A 35 -2.055 0.481 -1.735 1.00 0.00 C ATOM 0 H LEU A 35 -2.368 -1.886 1.463 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.187 -0.908 -0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.817 -2.786 -0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.659 -2.090 -2.063 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.340 -0.397 0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.554 -0.186 -1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.338 -1.867 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.219 -1.378 -2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.376 1.332 -1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.205 0.201 -2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.012 0.753 -1.291 1.00 0.00 H new ATOM 562 N ILE A 36 -4.093 -4.206 -0.038 1.00 0.00 N ATOM 563 CA ILE A 36 -4.838 -5.443 -0.237 1.00 0.00 C ATOM 564 C ILE A 36 -6.259 -5.293 0.296 1.00 0.00 C ATOM 565 O ILE A 36 -7.215 -5.785 -0.302 1.00 0.00 O ATOM 566 CB ILE A 36 -4.151 -6.637 0.468 1.00 0.00 C ATOM 567 CG1 ILE A 36 -2.836 -6.996 -0.231 1.00 0.00 C ATOM 568 CG2 ILE A 36 -5.074 -7.850 0.504 1.00 0.00 C ATOM 569 CD1 ILE A 36 -1.986 -7.962 0.564 1.00 0.00 C ATOM 0 H ILE A 36 -3.216 -4.321 0.470 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.864 -5.643 -1.308 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.931 -6.339 1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.057 -7.432 -1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.267 -6.084 -0.412 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.569 -8.677 1.004 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.985 -7.598 1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.329 -8.144 -0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.069 -8.176 0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.737 -7.519 1.528 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.539 -8.888 0.722 1.00 0.00 H new ATOM 581 N LYS A 37 -6.385 -4.591 1.416 1.00 0.00 N ATOM 582 CA LYS A 37 -7.682 -4.352 2.025 1.00 0.00 C ATOM 583 C LYS A 37 -8.465 -3.355 1.186 1.00 0.00 C ATOM 584 O LYS A 37 -9.692 -3.412 1.116 1.00 0.00 O ATOM 585 CB LYS A 37 -7.514 -3.824 3.452 1.00 0.00 C ATOM 586 CG LYS A 37 -8.712 -4.097 4.347 1.00 0.00 C ATOM 587 CD LYS A 37 -8.504 -3.529 5.742 1.00 0.00 C ATOM 588 CE LYS A 37 -9.784 -2.922 6.293 1.00 0.00 C ATOM 589 NZ LYS A 37 -10.123 -1.636 5.624 1.00 0.00 N ATOM 0 H LYS A 37 -5.600 -4.177 1.920 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.231 -5.293 2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.628 -4.278 3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.337 -2.749 3.414 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.606 -3.659 3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.882 -5.172 4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.158 -4.318 6.409 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.723 -2.770 5.714 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.605 -3.627 6.162 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.675 -2.756 7.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.864 -1.148 6.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.276 -1.035 5.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.466 -1.826 4.661 1.00 0.00 H new ATOM 603 N ASP A 38 -7.737 -2.445 0.546 1.00 0.00 N ATOM 604 CA ASP A 38 -8.353 -1.437 -0.297 1.00 0.00 C ATOM 605 C ASP A 38 -8.945 -2.075 -1.547 1.00 0.00 C ATOM 606 O ASP A 38 -10.038 -1.718 -1.984 1.00 0.00 O ATOM 607 CB ASP A 38 -7.322 -0.377 -0.687 1.00 0.00 C ATOM 608 CG ASP A 38 -7.966 0.852 -1.299 1.00 0.00 C ATOM 609 OD1 ASP A 38 -8.738 1.532 -0.592 1.00 0.00 O ATOM 610 OD2 ASP A 38 -7.695 1.135 -2.485 1.00 0.00 O ATOM 0 H ASP A 38 -6.720 -2.388 0.598 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.157 -0.961 0.264 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.752 -0.085 0.195 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.614 -0.805 -1.396 1.00 0.00 H new ATOM 615 N ASP A 39 -8.210 -3.026 -2.115 1.00 0.00 N ATOM 616 CA ASP A 39 -8.654 -3.727 -3.314 1.00 0.00 C ATOM 617 C ASP A 39 -9.641 -4.837 -2.960 1.00 0.00 C ATOM 618 O ASP A 39 -10.452 -5.247 -3.790 1.00 0.00 O ATOM 619 CB ASP A 39 -7.451 -4.315 -4.055 1.00 0.00 C ATOM 620 CG ASP A 39 -7.848 -5.033 -5.331 1.00 0.00 C ATOM 621 OD1 ASP A 39 -9.001 -4.858 -5.777 1.00 0.00 O ATOM 622 OD2 ASP A 39 -7.003 -5.767 -5.885 1.00 0.00 O ATOM 0 H ASP A 39 -7.302 -3.329 -1.763 1.00 0.00 H new ATOM 0 HA ASP A 39 -9.159 -3.010 -3.962 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.750 -3.515 -4.295 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.928 -5.010 -3.398 1.00 0.00 H new ATOM 627 N GLU A 40 -9.567 -5.318 -1.723 1.00 0.00 N ATOM 628 CA GLU A 40 -10.454 -6.382 -1.260 1.00 0.00 C ATOM 629 C GLU A 40 -11.845 -5.844 -0.950 1.00 0.00 C ATOM 630 O GLU A 40 -12.820 -6.594 -0.938 1.00 0.00 O ATOM 631 CB GLU A 40 -9.867 -7.068 -0.025 1.00 0.00 C ATOM 632 CG GLU A 40 -10.570 -8.364 0.345 1.00 0.00 C ATOM 633 CD GLU A 40 -11.357 -8.255 1.636 1.00 0.00 C ATOM 634 OE1 GLU A 40 -10.727 -8.120 2.705 1.00 0.00 O ATOM 635 OE2 GLU A 40 -12.604 -8.303 1.577 1.00 0.00 O ATOM 0 H GLU A 40 -8.903 -4.989 -1.023 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.544 -7.114 -2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.812 -7.275 -0.202 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.920 -6.382 0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.243 -8.651 -0.463 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.831 -9.159 0.441 1.00 0.00 H new