USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 629 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 3 SER OG : rot 180:sc= 0.0111 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HE2:sc= -4.75 X(o=-4.7,f=-5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.734 F(o=-1.6,f=-0.73) USER MOD Single : A 15 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.174) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.738 F(o=-1.8,f=-0.74) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.98! C(o=-2!,f=-2!) USER MOD Single : A 28 HIS : no HD1:sc= -0.0153 X(o=-0.015,f=-0.11) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -2.24! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -5:sc= -4.13! USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= -0.0169 (180deg=-0.216) USER MOD Single : A 51 ASN : amide:sc= -12! C(o=-12!,f=-21!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0689 USER MOD Single : A 58 ASN : amide:sc= -0.344 K(o=-0.34,f=-3.1!) USER MOD Single : A 62 SER OG : rot 24:sc= -3.38 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc=0.000367 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 -7.026 9.070 -2.168 1.00 0.00 N ATOM 21 CA ASP A 2 -6.377 10.286 -1.705 1.00 0.00 C ATOM 22 C ASP A 2 -4.865 10.158 -1.805 1.00 0.00 C ATOM 23 O ASP A 2 -4.230 9.498 -0.984 1.00 0.00 O ATOM 24 CB ASP A 2 -6.782 10.592 -0.262 1.00 0.00 C ATOM 25 CG ASP A 2 -6.299 11.954 0.197 1.00 0.00 C ATOM 26 OD1 ASP A 2 -6.778 12.969 -0.351 1.00 0.00 O ATOM 27 OD2 ASP A 2 -5.443 12.005 1.105 1.00 0.00 O ATOM 0 HA ASP A 2 -6.700 11.108 -2.343 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.868 10.546 -0.175 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.376 9.824 0.397 1.00 0.00 H new ATOM 32 N SER A 3 -4.294 10.802 -2.813 1.00 0.00 N ATOM 33 CA SER A 3 -2.855 10.771 -3.012 1.00 0.00 C ATOM 34 C SER A 3 -2.139 11.293 -1.774 1.00 0.00 C ATOM 35 O SER A 3 -1.066 10.812 -1.415 1.00 0.00 O ATOM 36 CB SER A 3 -2.473 11.605 -4.231 1.00 0.00 C ATOM 37 OG SER A 3 -3.378 11.389 -5.301 1.00 0.00 O ATOM 0 H SER A 3 -4.806 11.351 -3.504 1.00 0.00 H new ATOM 0 HA SER A 3 -2.549 9.739 -3.183 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.466 12.662 -3.965 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.462 11.349 -4.548 1.00 0.00 H new ATOM 0 HG SER A 3 -3.112 11.936 -6.070 1.00 0.00 H new ATOM 43 N LYS A 4 -2.755 12.266 -1.112 1.00 0.00 N ATOM 44 CA LYS A 4 -2.179 12.859 0.087 1.00 0.00 C ATOM 45 C LYS A 4 -1.835 11.792 1.122 1.00 0.00 C ATOM 46 O LYS A 4 -0.735 11.783 1.667 1.00 0.00 O ATOM 47 CB LYS A 4 -3.148 13.877 0.691 1.00 0.00 C ATOM 48 CG LYS A 4 -2.799 15.319 0.362 1.00 0.00 C ATOM 49 CD LYS A 4 -2.160 16.022 1.549 1.00 0.00 C ATOM 50 CE LYS A 4 -3.210 16.571 2.501 1.00 0.00 C ATOM 51 NZ LYS A 4 -3.273 18.058 2.461 1.00 0.00 N ATOM 0 H LYS A 4 -3.655 12.661 -1.387 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.257 13.365 -0.200 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.155 13.665 0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.163 13.754 1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.117 15.345 -0.488 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.701 15.854 0.063 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.513 15.325 2.082 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.528 16.836 1.194 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.185 16.159 2.242 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.986 16.244 3.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.001 18.393 3.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.350 18.452 2.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.512 18.370 1.498 1.00 0.00 H new ATOM 65 N GLU A 5 -2.780 10.893 1.387 1.00 0.00 N ATOM 66 CA GLU A 5 -2.568 9.833 2.365 1.00 0.00 C ATOM 67 C GLU A 5 -1.649 8.759 1.804 1.00 0.00 C ATOM 68 O GLU A 5 -0.706 8.321 2.463 1.00 0.00 O ATOM 69 CB GLU A 5 -3.916 9.246 2.800 1.00 0.00 C ATOM 70 CG GLU A 5 -4.502 8.181 1.894 1.00 0.00 C ATOM 71 CD GLU A 5 -5.753 7.571 2.489 1.00 0.00 C ATOM 72 OE1 GLU A 5 -5.630 6.587 3.249 1.00 0.00 O ATOM 73 OE2 GLU A 5 -6.857 8.075 2.195 1.00 0.00 O ATOM 0 H GLU A 5 -3.696 10.878 0.939 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.079 10.254 3.244 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.800 8.822 3.798 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.635 10.061 2.882 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.735 8.617 0.923 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.761 7.400 1.723 1.00 0.00 H new ATOM 80 N VAL A 6 -1.894 8.389 0.560 1.00 0.00 N ATOM 81 CA VAL A 6 -1.072 7.390 -0.118 1.00 0.00 C ATOM 82 C VAL A 6 0.386 7.842 -0.207 1.00 0.00 C ATOM 83 O VAL A 6 1.292 7.090 0.138 1.00 0.00 O ATOM 84 CB VAL A 6 -1.606 7.085 -1.531 1.00 0.00 C ATOM 85 CG1 VAL A 6 -0.699 6.099 -2.262 1.00 0.00 C ATOM 86 CG2 VAL A 6 -3.024 6.549 -1.438 1.00 0.00 C ATOM 0 H VAL A 6 -2.656 8.763 -0.006 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.124 6.479 0.478 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.614 8.010 -2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.101 5.903 -3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.301 6.523 -2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.648 5.166 -1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.398 6.335 -2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.029 5.634 -0.845 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.664 7.293 -0.963 1.00 0.00 H new ATOM 96 N LEU A 7 0.617 9.068 -0.668 1.00 0.00 N ATOM 97 CA LEU A 7 1.983 9.572 -0.775 1.00 0.00 C ATOM 98 C LEU A 7 2.632 9.639 0.604 1.00 0.00 C ATOM 99 O LEU A 7 3.814 9.342 0.756 1.00 0.00 O ATOM 100 CB LEU A 7 2.024 10.940 -1.459 1.00 0.00 C ATOM 101 CG LEU A 7 2.991 11.043 -2.645 1.00 0.00 C ATOM 102 CD1 LEU A 7 2.855 9.834 -3.566 1.00 0.00 C ATOM 103 CD2 LEU A 7 2.751 12.331 -3.418 1.00 0.00 C ATOM 0 H LEU A 7 -0.108 9.720 -0.968 1.00 0.00 H new ATOM 0 HA LEU A 7 2.549 8.878 -1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.020 11.186 -1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.299 11.691 -0.719 1.00 0.00 H new ATOM 0 HG LEU A 7 4.008 11.058 -2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.551 9.931 -4.399 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.081 8.925 -3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.836 9.781 -3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.446 12.387 -4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.728 12.345 -3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.907 13.185 -2.759 1.00 0.00 H new ATOM 115 N VAL A 8 1.848 9.996 1.616 1.00 0.00 N ATOM 116 CA VAL A 8 2.350 9.996 2.984 1.00 0.00 C ATOM 117 C VAL A 8 2.740 8.572 3.358 1.00 0.00 C ATOM 118 O VAL A 8 3.805 8.325 3.934 1.00 0.00 O ATOM 119 CB VAL A 8 1.299 10.529 3.982 1.00 0.00 C ATOM 120 CG1 VAL A 8 1.775 10.361 5.419 1.00 0.00 C ATOM 121 CG2 VAL A 8 0.983 11.985 3.689 1.00 0.00 C ATOM 0 H VAL A 8 0.875 10.285 1.517 1.00 0.00 H new ATOM 0 HA VAL A 8 3.214 10.659 3.037 1.00 0.00 H new ATOM 0 HB VAL A 8 0.387 9.944 3.861 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.016 10.744 6.101 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.947 9.304 5.624 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.703 10.914 5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.241 12.347 4.401 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.892 12.580 3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.589 12.075 2.677 1.00 0.00 H new ATOM 131 N HIS A 9 1.881 7.634 2.977 1.00 0.00 N ATOM 132 CA HIS A 9 2.150 6.225 3.195 1.00 0.00 C ATOM 133 C HIS A 9 3.476 5.866 2.541 1.00 0.00 C ATOM 134 O HIS A 9 4.238 5.052 3.061 1.00 0.00 O ATOM 135 CB HIS A 9 1.016 5.366 2.634 1.00 0.00 C ATOM 136 CG HIS A 9 -0.309 5.654 3.270 1.00 0.00 C ATOM 137 ND1 HIS A 9 -0.437 6.102 4.569 1.00 0.00 N ATOM 138 CD2 HIS A 9 -1.569 5.580 2.776 1.00 0.00 C ATOM 139 CE1 HIS A 9 -1.715 6.279 4.849 1.00 0.00 C ATOM 140 NE2 HIS A 9 -2.421 5.973 3.778 1.00 0.00 N ATOM 0 H HIS A 9 0.992 7.828 2.515 1.00 0.00 H new ATOM 0 HA HIS A 9 2.213 6.029 4.265 1.00 0.00 H new ATOM 0 HB2 HIS A 9 0.940 5.532 1.559 1.00 0.00 H new ATOM 0 HB3 HIS A 9 1.260 4.313 2.778 1.00 0.00 H new ATOM 0 HD1 HIS A 9 0.336 6.270 5.213 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -1.850 5.270 1.780 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -2.114 6.617 5.794 1.00 0.00 H new ATOM 149 N VAL A 10 3.759 6.515 1.412 1.00 0.00 N ATOM 150 CA VAL A 10 5.026 6.319 0.730 1.00 0.00 C ATOM 151 C VAL A 10 6.163 6.838 1.597 1.00 0.00 C ATOM 152 O VAL A 10 7.270 6.326 1.548 1.00 0.00 O ATOM 153 CB VAL A 10 5.083 7.013 -0.643 1.00 0.00 C ATOM 154 CG1 VAL A 10 6.390 6.679 -1.347 1.00 0.00 C ATOM 155 CG2 VAL A 10 3.892 6.614 -1.499 1.00 0.00 C ATOM 0 H VAL A 10 3.129 7.176 0.957 1.00 0.00 H new ATOM 0 HA VAL A 10 5.128 5.247 0.559 1.00 0.00 H new ATOM 0 HB VAL A 10 5.039 8.091 -0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.418 7.176 -2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.228 7.021 -0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.461 5.601 -1.489 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.953 7.116 -2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.898 5.535 -1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.969 6.905 -0.997 1.00 0.00 H new ATOM 165 N LYS A 11 5.885 7.886 2.373 1.00 0.00 N ATOM 166 CA LYS A 11 6.880 8.435 3.287 1.00 0.00 C ATOM 167 C LYS A 11 7.399 7.330 4.195 1.00 0.00 C ATOM 168 O LYS A 11 8.606 7.147 4.361 1.00 0.00 O ATOM 169 CB LYS A 11 6.272 9.557 4.129 1.00 0.00 C ATOM 170 CG LYS A 11 7.307 10.470 4.765 1.00 0.00 C ATOM 171 CD LYS A 11 6.674 11.410 5.778 1.00 0.00 C ATOM 172 CE LYS A 11 6.046 12.617 5.099 1.00 0.00 C ATOM 173 NZ LYS A 11 5.186 13.395 6.033 1.00 0.00 N ATOM 0 H LYS A 11 4.986 8.367 2.386 1.00 0.00 H new ATOM 0 HA LYS A 11 7.705 8.847 2.706 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.611 10.154 3.501 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.656 9.118 4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.073 9.868 5.255 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.806 11.052 3.990 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.914 10.875 6.348 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.430 11.743 6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.832 13.262 4.706 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.451 12.286 4.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.777 14.209 5.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.421 12.787 6.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.759 13.733 6.832 1.00 0.00 H new ATOM 187 N ASN A 12 6.468 6.569 4.751 1.00 0.00 N ATOM 188 CA ASN A 12 6.810 5.429 5.580 1.00 0.00 C ATOM 189 C ASN A 12 7.486 4.370 4.727 1.00 0.00 C ATOM 190 O ASN A 12 8.548 3.851 5.071 1.00 0.00 O ATOM 191 CB ASN A 12 5.547 4.855 6.218 1.00 0.00 C ATOM 192 CG ASN A 12 4.575 5.932 6.664 1.00 0.00 C ATOM 193 OD1 ASN A 12 3.306 5.763 6.314 1.00 0.00 O flip ATOM 194 ND2 ASN A 12 4.962 6.903 7.313 1.00 0.00 N flip ATOM 0 H ASN A 12 5.466 6.724 4.641 1.00 0.00 H new ATOM 0 HA ASN A 12 7.492 5.746 6.369 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.051 4.197 5.504 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.824 4.243 7.077 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.948 6.991 7.560 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.297 7.619 7.604 1.00 0.00 H new ATOM 201 N LEU A 13 6.870 4.096 3.588 1.00 0.00 N ATOM 202 CA LEU A 13 7.409 3.161 2.616 1.00 0.00 C ATOM 203 C LEU A 13 8.865 3.524 2.307 1.00 0.00 C ATOM 204 O LEU A 13 9.736 2.657 2.237 1.00 0.00 O ATOM 205 CB LEU A 13 6.532 3.231 1.353 1.00 0.00 C ATOM 206 CG LEU A 13 6.714 2.123 0.308 1.00 0.00 C ATOM 207 CD1 LEU A 13 6.160 2.558 -1.040 1.00 0.00 C ATOM 208 CD2 LEU A 13 8.164 1.777 0.157 1.00 0.00 C ATOM 0 H LEU A 13 5.982 4.516 3.312 1.00 0.00 H new ATOM 0 HA LEU A 13 7.399 2.143 3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.488 3.231 1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.718 4.188 0.866 1.00 0.00 H new ATOM 0 HG LEU A 13 6.167 1.246 0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.300 1.757 -1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.097 2.778 -0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.686 3.451 -1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.274 0.989 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.717 2.660 -0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.557 1.430 1.113 1.00 0.00 H new ATOM 220 N GLU A 14 9.110 4.822 2.174 1.00 0.00 N ATOM 221 CA GLU A 14 10.437 5.355 1.890 1.00 0.00 C ATOM 222 C GLU A 14 11.456 4.880 2.912 1.00 0.00 C ATOM 223 O GLU A 14 12.506 4.349 2.558 1.00 0.00 O ATOM 224 CB GLU A 14 10.378 6.881 1.876 1.00 0.00 C ATOM 225 CG GLU A 14 10.339 7.472 0.477 1.00 0.00 C ATOM 226 CD GLU A 14 10.020 8.954 0.477 1.00 0.00 C ATOM 227 OE1 GLU A 14 10.652 9.698 1.256 1.00 0.00 O ATOM 228 OE2 GLU A 14 9.139 9.372 -0.303 1.00 0.00 O ATOM 0 H GLU A 14 8.389 5.539 2.261 1.00 0.00 H new ATOM 0 HA GLU A 14 10.754 4.990 0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.495 7.208 2.425 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.246 7.275 2.405 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.302 7.312 -0.008 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.592 6.944 -0.116 1.00 0.00 H new ATOM 235 N LYS A 15 11.147 5.080 4.182 1.00 0.00 N ATOM 236 CA LYS A 15 12.044 4.666 5.247 1.00 0.00 C ATOM 237 C LYS A 15 12.360 3.177 5.135 1.00 0.00 C ATOM 238 O LYS A 15 13.483 2.744 5.392 1.00 0.00 O ATOM 239 CB LYS A 15 11.414 4.966 6.607 1.00 0.00 C ATOM 240 CG LYS A 15 11.958 6.221 7.269 1.00 0.00 C ATOM 241 CD LYS A 15 11.246 6.510 8.581 1.00 0.00 C ATOM 242 CE LYS A 15 12.072 7.420 9.475 1.00 0.00 C ATOM 243 NZ LYS A 15 12.532 8.639 8.755 1.00 0.00 N ATOM 0 H LYS A 15 10.286 5.525 4.500 1.00 0.00 H new ATOM 0 HA LYS A 15 12.975 5.225 5.153 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.336 5.069 6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.579 4.116 7.269 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.026 6.104 7.451 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.841 7.070 6.595 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.282 6.976 8.378 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.044 5.573 9.101 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.479 7.713 10.342 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.937 6.872 9.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.912 9.324 9.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.275 8.381 8.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.731 9.066 8.247 1.00 0.00 H new ATOM 257 N ASN A 16 11.355 2.406 4.739 1.00 0.00 N ATOM 258 CA ASN A 16 11.488 0.958 4.598 1.00 0.00 C ATOM 259 C ASN A 16 12.050 0.558 3.230 1.00 0.00 C ATOM 260 O ASN A 16 12.481 -0.577 3.039 1.00 0.00 O ATOM 261 CB ASN A 16 10.122 0.299 4.799 1.00 0.00 C ATOM 262 CG ASN A 16 9.629 0.417 6.227 1.00 0.00 C ATOM 263 OD1 ASN A 16 9.718 -0.675 6.976 1.00 0.00 O flip ATOM 264 ND2 ASN A 16 9.177 1.480 6.654 1.00 0.00 N flip ATOM 0 H ASN A 16 10.428 2.763 4.507 1.00 0.00 H new ATOM 0 HA ASN A 16 12.192 0.616 5.357 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.397 0.760 4.128 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.186 -0.754 4.525 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.127 2.295 6.043 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.853 1.545 7.619 1.00 0.00 H new ATOM 271 N LYS A 17 11.974 1.476 2.271 1.00 0.00 N ATOM 272 CA LYS A 17 12.352 1.201 0.886 1.00 0.00 C ATOM 273 C LYS A 17 13.696 0.507 0.709 1.00 0.00 C ATOM 274 O LYS A 17 14.665 1.130 0.271 1.00 0.00 O ATOM 275 CB LYS A 17 12.380 2.490 0.067 1.00 0.00 C ATOM 276 CG LYS A 17 11.029 2.896 -0.487 1.00 0.00 C ATOM 277 CD LYS A 17 11.133 3.900 -1.634 1.00 0.00 C ATOM 278 CE LYS A 17 12.194 4.965 -1.388 1.00 0.00 C ATOM 279 NZ LYS A 17 12.337 5.882 -2.553 1.00 0.00 N ATOM 0 H LYS A 17 11.650 2.430 2.430 1.00 0.00 H new ATOM 0 HA LYS A 17 11.584 0.512 0.533 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.763 3.297 0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.079 2.368 -0.760 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.503 2.007 -0.836 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.429 3.328 0.314 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.365 3.368 -2.557 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.166 4.382 -1.778 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.931 5.542 -0.501 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.151 4.485 -1.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.068 6.593 -2.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.612 5.335 -3.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.431 6.360 -2.732 1.00 0.00 H new ATOM 293 N SER A 18 13.711 -0.806 0.863 1.00 0.00 N ATOM 294 CA SER A 18 14.866 -1.586 0.472 1.00 0.00 C ATOM 295 C SER A 18 14.914 -1.569 -1.054 1.00 0.00 C ATOM 296 O SER A 18 15.974 -1.450 -1.667 1.00 0.00 O ATOM 297 CB SER A 18 14.762 -3.023 0.990 1.00 0.00 C ATOM 298 OG SER A 18 16.006 -3.476 1.492 1.00 0.00 O ATOM 0 H SER A 18 12.941 -1.349 1.254 1.00 0.00 H new ATOM 0 HA SER A 18 15.775 -1.162 0.898 1.00 0.00 H new ATOM 0 HB2 SER A 18 14.008 -3.076 1.776 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.430 -3.680 0.186 1.00 0.00 H new ATOM 0 HG SER A 18 15.912 -4.395 1.818 1.00 0.00 H new ATOM 304 N ASN A 19 13.713 -1.595 -1.640 1.00 0.00 N ATOM 305 CA ASN A 19 13.516 -1.459 -3.078 1.00 0.00 C ATOM 306 C ASN A 19 12.962 -0.071 -3.354 1.00 0.00 C ATOM 307 O ASN A 19 11.936 0.295 -2.796 1.00 0.00 O ATOM 308 CB ASN A 19 12.514 -2.504 -3.566 1.00 0.00 C ATOM 309 CG ASN A 19 13.100 -3.429 -4.613 1.00 0.00 C ATOM 310 OD1 ASN A 19 12.895 -3.239 -5.811 1.00 0.00 O ATOM 311 ND2 ASN A 19 13.831 -4.441 -4.162 1.00 0.00 N ATOM 0 H ASN A 19 12.844 -1.713 -1.119 1.00 0.00 H new ATOM 0 HA ASN A 19 14.463 -1.605 -3.597 1.00 0.00 H new ATOM 0 HB2 ASN A 19 12.168 -3.094 -2.718 1.00 0.00 H new ATOM 0 HB3 ASN A 19 11.641 -1.999 -3.980 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.249 -5.100 -4.818 1.00 0.00 H new ATOM 0 HD22 ASN A 19 13.974 -4.559 -3.159 1.00 0.00 H new ATOM 318 N ASP A 20 13.701 0.761 -4.061 1.00 0.00 N ATOM 319 CA ASP A 20 13.244 2.124 -4.274 1.00 0.00 C ATOM 320 C ASP A 20 12.103 2.248 -5.289 1.00 0.00 C ATOM 321 O ASP A 20 10.997 2.657 -4.946 1.00 0.00 O ATOM 322 CB ASP A 20 14.406 3.005 -4.725 1.00 0.00 C ATOM 323 CG ASP A 20 15.615 2.883 -3.819 1.00 0.00 C ATOM 324 OD1 ASP A 20 15.426 2.742 -2.593 1.00 0.00 O ATOM 325 OD2 ASP A 20 16.751 2.929 -4.336 1.00 0.00 O ATOM 0 H ASP A 20 14.597 0.529 -4.489 1.00 0.00 H new ATOM 0 HA ASP A 20 12.852 2.456 -3.313 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.690 2.734 -5.742 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.080 4.045 -4.752 1.00 0.00 H new ATOM 330 N ALA A 21 12.385 1.886 -6.535 1.00 0.00 N ATOM 331 CA ALA A 21 11.453 2.112 -7.640 1.00 0.00 C ATOM 332 C ALA A 21 10.202 1.236 -7.627 1.00 0.00 C ATOM 333 O ALA A 21 9.104 1.721 -7.898 1.00 0.00 O ATOM 334 CB ALA A 21 12.189 1.942 -8.960 1.00 0.00 C ATOM 0 H ALA A 21 13.256 1.432 -6.809 1.00 0.00 H new ATOM 0 HA ALA A 21 11.087 3.131 -7.514 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.498 2.110 -9.786 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.005 2.663 -9.017 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.593 0.932 -9.024 1.00 0.00 H new ATOM 340 N ALA A 22 10.373 -0.060 -7.420 1.00 0.00 N ATOM 341 CA ALA A 22 9.250 -0.993 -7.516 1.00 0.00 C ATOM 342 C ALA A 22 8.100 -0.581 -6.619 1.00 0.00 C ATOM 343 O ALA A 22 7.023 -0.252 -7.093 1.00 0.00 O ATOM 344 CB ALA A 22 9.697 -2.404 -7.174 1.00 0.00 C ATOM 0 H ALA A 22 11.267 -0.491 -7.186 1.00 0.00 H new ATOM 0 HA ALA A 22 8.896 -0.970 -8.547 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.848 -3.083 -7.251 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.476 -2.717 -7.869 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.088 -2.425 -6.157 1.00 0.00 H new ATOM 350 N VAL A 23 8.363 -0.503 -5.339 1.00 0.00 N ATOM 351 CA VAL A 23 7.353 -0.098 -4.385 1.00 0.00 C ATOM 352 C VAL A 23 6.902 1.320 -4.655 1.00 0.00 C ATOM 353 O VAL A 23 5.725 1.643 -4.532 1.00 0.00 O ATOM 354 CB VAL A 23 7.907 -0.185 -2.964 1.00 0.00 C ATOM 355 CG1 VAL A 23 7.964 -1.639 -2.540 1.00 0.00 C ATOM 356 CG2 VAL A 23 9.286 0.457 -2.911 1.00 0.00 C ATOM 0 H VAL A 23 9.272 -0.715 -4.928 1.00 0.00 H new ATOM 0 HA VAL A 23 6.501 -0.770 -4.488 1.00 0.00 H new ATOM 0 HB VAL A 23 7.256 0.353 -2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.359 -1.707 -1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.961 -2.066 -2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.613 -2.191 -3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 23 9.678 0.393 -1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.957 -0.065 -3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.212 1.504 -3.206 1.00 0.00 H new ATOM 366 N LEU A 24 7.852 2.161 -5.028 1.00 0.00 N ATOM 367 CA LEU A 24 7.559 3.546 -5.330 1.00 0.00 C ATOM 368 C LEU A 24 6.585 3.638 -6.498 1.00 0.00 C ATOM 369 O LEU A 24 5.549 4.295 -6.405 1.00 0.00 O ATOM 370 CB LEU A 24 8.862 4.278 -5.650 1.00 0.00 C ATOM 371 CG LEU A 24 8.735 5.780 -5.894 1.00 0.00 C ATOM 372 CD1 LEU A 24 10.106 6.437 -5.936 1.00 0.00 C ATOM 373 CD2 LEU A 24 7.984 6.032 -7.167 1.00 0.00 C ATOM 0 H LEU A 24 8.834 1.905 -5.128 1.00 0.00 H new ATOM 0 HA LEU A 24 7.091 4.016 -4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.558 4.120 -4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.306 3.821 -6.534 1.00 0.00 H new ATOM 0 HG LEU A 24 8.178 6.222 -5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.992 7.507 -6.111 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.615 6.277 -4.986 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.695 5.999 -6.742 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.898 7.106 -7.332 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.519 5.578 -8.001 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.988 5.596 -7.094 1.00 0.00 H new ATOM 385 N GLU A 25 6.932 2.985 -7.601 1.00 0.00 N ATOM 386 CA GLU A 25 6.081 2.987 -8.781 1.00 0.00 C ATOM 387 C GLU A 25 4.844 2.144 -8.535 1.00 0.00 C ATOM 388 O GLU A 25 3.750 2.472 -8.989 1.00 0.00 O ATOM 389 CB GLU A 25 6.847 2.456 -9.994 1.00 0.00 C ATOM 390 CG GLU A 25 7.236 3.544 -10.977 1.00 0.00 C ATOM 391 CD GLU A 25 8.642 3.369 -11.515 1.00 0.00 C ATOM 392 OE1 GLU A 25 8.931 2.296 -12.086 1.00 0.00 O ATOM 393 OE2 GLU A 25 9.457 4.304 -11.364 1.00 0.00 O ATOM 0 H GLU A 25 7.794 2.449 -7.701 1.00 0.00 H new ATOM 0 HA GLU A 25 5.774 4.013 -8.986 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.747 1.945 -9.652 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.234 1.714 -10.506 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.531 3.546 -11.808 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.156 4.515 -10.488 1.00 0.00 H new ATOM 400 N ILE A 26 5.029 1.065 -7.791 1.00 0.00 N ATOM 401 CA ILE A 26 3.925 0.184 -7.440 1.00 0.00 C ATOM 402 C ILE A 26 2.898 0.952 -6.623 1.00 0.00 C ATOM 403 O ILE A 26 1.705 0.888 -6.907 1.00 0.00 O ATOM 404 CB ILE A 26 4.413 -1.087 -6.679 1.00 0.00 C ATOM 405 CG1 ILE A 26 5.053 -2.075 -7.660 1.00 0.00 C ATOM 406 CG2 ILE A 26 3.273 -1.780 -5.935 1.00 0.00 C ATOM 407 CD1 ILE A 26 5.695 -3.269 -6.986 1.00 0.00 C ATOM 0 H ILE A 26 5.934 0.778 -7.418 1.00 0.00 H new ATOM 0 HA ILE A 26 3.459 -0.164 -8.362 1.00 0.00 H new ATOM 0 HB ILE A 26 5.149 -0.762 -5.944 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.292 -2.427 -8.356 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.807 -1.552 -8.249 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.657 -2.660 -5.419 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.842 -1.092 -5.208 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.505 -2.083 -6.647 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.127 -3.925 -7.742 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.479 -2.927 -6.311 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.941 -3.816 -6.419 1.00 0.00 H new ATOM 419 N LEU A 27 3.360 1.708 -5.635 1.00 0.00 N ATOM 420 CA LEU A 27 2.440 2.463 -4.796 1.00 0.00 C ATOM 421 C LEU A 27 1.831 3.638 -5.553 1.00 0.00 C ATOM 422 O LEU A 27 0.635 3.905 -5.444 1.00 0.00 O ATOM 423 CB LEU A 27 3.116 2.975 -3.517 1.00 0.00 C ATOM 424 CG LEU A 27 2.475 2.506 -2.203 1.00 0.00 C ATOM 425 CD1 LEU A 27 2.886 3.412 -1.057 1.00 0.00 C ATOM 426 CD2 LEU A 27 0.956 2.465 -2.310 1.00 0.00 C ATOM 0 H LEU A 27 4.346 1.814 -5.398 1.00 0.00 H new ATOM 0 HA LEU A 27 1.646 1.772 -4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.159 2.660 -3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.112 4.065 -3.535 1.00 0.00 H new ATOM 0 HG LEU A 27 2.832 1.495 -2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.422 3.064 -0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.970 3.392 -0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.561 4.432 -1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.533 2.129 -1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.581 3.462 -2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.666 1.775 -3.102 1.00 0.00 H new ATOM 438 N HIS A 28 2.666 4.352 -6.299 1.00 0.00 N ATOM 439 CA HIS A 28 2.212 5.520 -7.043 1.00 0.00 C ATOM 440 C HIS A 28 1.009 5.178 -7.916 1.00 0.00 C ATOM 441 O HIS A 28 -0.048 5.799 -7.802 1.00 0.00 O ATOM 442 CB HIS A 28 3.350 6.059 -7.913 1.00 0.00 C ATOM 443 CG HIS A 28 3.127 7.460 -8.391 1.00 0.00 C ATOM 444 ND1 HIS A 28 2.781 8.497 -7.548 1.00 0.00 N ATOM 445 CD2 HIS A 28 3.201 7.995 -9.633 1.00 0.00 C ATOM 446 CE1 HIS A 28 2.653 9.608 -8.252 1.00 0.00 C ATOM 447 NE2 HIS A 28 2.902 9.330 -9.518 1.00 0.00 N ATOM 0 H HIS A 28 3.659 4.143 -6.404 1.00 0.00 H new ATOM 0 HA HIS A 28 1.910 6.285 -6.327 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.280 6.021 -7.345 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.477 5.405 -8.776 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.449 7.470 -10.544 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.389 10.579 -7.858 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.876 9.999 -10.287 1.00 0.00 H new ATOM 456 N VAL A 29 1.169 4.176 -8.773 1.00 0.00 N ATOM 457 CA VAL A 29 0.081 3.737 -9.642 1.00 0.00 C ATOM 458 C VAL A 29 -0.987 3.017 -8.827 1.00 0.00 C ATOM 459 O VAL A 29 -2.179 3.112 -9.117 1.00 0.00 O ATOM 460 CB VAL A 29 0.598 2.813 -10.764 1.00 0.00 C ATOM 461 CG1 VAL A 29 1.483 1.721 -10.185 1.00 0.00 C ATOM 462 CG2 VAL A 29 -0.555 2.218 -11.567 1.00 0.00 C ATOM 0 H VAL A 29 2.038 3.653 -8.885 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.355 4.622 -10.105 1.00 0.00 H new ATOM 0 HB VAL A 29 1.197 3.413 -11.449 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.840 1.077 -10.989 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.335 2.174 -9.678 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.910 1.128 -9.473 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.158 1.572 -12.350 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.196 1.635 -10.906 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.136 3.022 -12.020 1.00 0.00 H new ATOM 472 N LEU A 30 -0.547 2.321 -7.785 1.00 0.00 N ATOM 473 CA LEU A 30 -1.458 1.610 -6.896 1.00 0.00 C ATOM 474 C LEU A 30 -2.591 2.524 -6.453 1.00 0.00 C ATOM 475 O LEU A 30 -3.720 2.077 -6.252 1.00 0.00 O ATOM 476 CB LEU A 30 -0.708 1.097 -5.672 1.00 0.00 C ATOM 477 CG LEU A 30 -0.311 -0.380 -5.724 1.00 0.00 C ATOM 478 CD1 LEU A 30 0.731 -0.698 -4.659 1.00 0.00 C ATOM 479 CD2 LEU A 30 -1.537 -1.257 -5.554 1.00 0.00 C ATOM 0 H LEU A 30 0.438 2.234 -7.535 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.877 0.764 -7.441 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.194 1.695 -5.541 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.329 1.259 -4.791 1.00 0.00 H new ATOM 0 HG LEU A 30 0.132 -0.586 -6.699 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.998 -1.753 -4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.620 -0.089 -4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.322 -0.479 -3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.242 -2.306 -5.593 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.004 -1.047 -4.592 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.247 -1.050 -6.355 1.00 0.00 H new ATOM 491 N ASP A 31 -2.287 3.819 -6.375 1.00 0.00 N ATOM 492 CA ASP A 31 -3.258 4.817 -5.942 1.00 0.00 C ATOM 493 C ASP A 31 -4.570 4.657 -6.698 1.00 0.00 C ATOM 494 O ASP A 31 -5.637 5.006 -6.195 1.00 0.00 O ATOM 495 CB ASP A 31 -2.699 6.215 -6.188 1.00 0.00 C ATOM 496 CG ASP A 31 -3.023 7.178 -5.063 1.00 0.00 C ATOM 497 OD1 ASP A 31 -4.190 7.614 -4.971 1.00 0.00 O ATOM 498 OD2 ASP A 31 -2.109 7.496 -4.273 1.00 0.00 O ATOM 0 H ASP A 31 -1.370 4.201 -6.608 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.448 4.676 -4.878 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.617 6.154 -6.309 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.103 6.605 -7.123 1.00 0.00 H new ATOM 503 N LYS A 32 -4.484 4.090 -7.895 1.00 0.00 N ATOM 504 CA LYS A 32 -5.660 3.843 -8.707 1.00 0.00 C ATOM 505 C LYS A 32 -6.581 2.838 -8.010 1.00 0.00 C ATOM 506 O LYS A 32 -7.732 3.151 -7.703 1.00 0.00 O ATOM 507 CB LYS A 32 -5.212 3.335 -10.083 1.00 0.00 C ATOM 508 CG LYS A 32 -6.290 2.652 -10.912 1.00 0.00 C ATOM 509 CD LYS A 32 -5.703 1.492 -11.692 1.00 0.00 C ATOM 510 CE LYS A 32 -5.340 0.351 -10.762 1.00 0.00 C ATOM 511 NZ LYS A 32 -3.905 -0.028 -10.875 1.00 0.00 N ATOM 0 H LYS A 32 -3.607 3.793 -8.323 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.226 4.765 -8.840 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.820 4.178 -10.652 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.388 2.635 -9.942 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.086 2.294 -10.260 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.739 3.370 -11.599 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.421 1.147 -12.436 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.817 1.823 -12.233 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.559 0.638 -9.734 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.962 -0.514 -10.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.700 -0.811 -10.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.701 -0.327 -11.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.310 0.790 -10.632 1.00 0.00 H new ATOM 525 N GLU A 33 -6.074 1.631 -7.768 1.00 0.00 N ATOM 526 CA GLU A 33 -6.844 0.604 -7.071 1.00 0.00 C ATOM 527 C GLU A 33 -6.346 0.440 -5.638 1.00 0.00 C ATOM 528 O GLU A 33 -6.317 -0.670 -5.105 1.00 0.00 O ATOM 529 CB GLU A 33 -6.768 -0.736 -7.800 1.00 0.00 C ATOM 530 CG GLU A 33 -8.114 -1.231 -8.307 1.00 0.00 C ATOM 531 CD GLU A 33 -8.548 -0.538 -9.584 1.00 0.00 C ATOM 532 OE1 GLU A 33 -8.941 0.645 -9.514 1.00 0.00 O ATOM 533 OE2 GLU A 33 -8.496 -1.181 -10.654 1.00 0.00 O ATOM 0 H GLU A 33 -5.136 1.341 -8.044 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.884 0.928 -7.053 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.083 -0.643 -8.643 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.346 -1.483 -7.127 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.059 -2.305 -8.482 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.869 -1.072 -7.537 1.00 0.00 H new ATOM 540 N PHE A 34 -5.928 1.540 -5.026 1.00 0.00 N ATOM 541 CA PHE A 34 -5.351 1.491 -3.694 1.00 0.00 C ATOM 542 C PHE A 34 -6.399 1.358 -2.589 1.00 0.00 C ATOM 543 O PHE A 34 -7.605 1.465 -2.813 1.00 0.00 O ATOM 544 CB PHE A 34 -4.448 2.698 -3.435 1.00 0.00 C ATOM 545 CG PHE A 34 -3.336 2.399 -2.461 1.00 0.00 C ATOM 546 CD1 PHE A 34 -2.634 1.204 -2.536 1.00 0.00 C ATOM 547 CD2 PHE A 34 -3.029 3.282 -1.440 1.00 0.00 C ATOM 548 CE1 PHE A 34 -1.639 0.908 -1.625 1.00 0.00 C ATOM 549 CE2 PHE A 34 -2.036 2.989 -0.523 1.00 0.00 C ATOM 550 CZ PHE A 34 -1.342 1.801 -0.616 1.00 0.00 C ATOM 0 H PHE A 34 -5.979 2.474 -5.432 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.745 0.585 -3.663 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.018 3.033 -4.379 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.051 3.521 -3.050 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.869 0.496 -3.317 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.572 4.212 -1.358 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.094 -0.021 -1.702 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.804 3.690 0.265 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.567 1.570 0.100 1.00 0.00 H new ATOM 560 N VAL A 35 -5.878 1.101 -1.398 1.00 0.00 N ATOM 561 CA VAL A 35 -6.643 0.815 -0.185 1.00 0.00 C ATOM 562 C VAL A 35 -7.184 2.035 0.618 1.00 0.00 C ATOM 563 O VAL A 35 -7.762 1.835 1.681 1.00 0.00 O ATOM 564 CB VAL A 35 -5.685 0.021 0.729 1.00 0.00 C ATOM 565 CG1 VAL A 35 -4.543 0.913 1.177 1.00 0.00 C ATOM 566 CG2 VAL A 35 -6.376 -0.630 1.907 1.00 0.00 C ATOM 0 H VAL A 35 -4.870 1.084 -1.240 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.544 0.289 -0.500 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.287 -0.804 0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.871 0.347 1.822 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.995 1.269 0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.941 1.765 1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.643 -1.171 2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.851 0.137 2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.133 -1.326 1.546 1.00 0.00 H new ATOM 576 N PRO A 36 -7.018 3.308 0.190 1.00 0.00 N ATOM 577 CA PRO A 36 -7.491 4.451 0.973 1.00 0.00 C ATOM 578 C PRO A 36 -8.899 4.912 0.624 1.00 0.00 C ATOM 579 O PRO A 36 -9.066 5.869 -0.133 1.00 0.00 O ATOM 580 CB PRO A 36 -6.504 5.533 0.586 1.00 0.00 C ATOM 581 CG PRO A 36 -6.161 5.240 -0.829 1.00 0.00 C ATOM 582 CD PRO A 36 -6.343 3.760 -1.031 1.00 0.00 C ATOM 0 HA PRO A 36 -7.543 4.205 2.034 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.943 6.525 0.690 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.619 5.508 1.222 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.804 5.803 -1.506 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.134 5.535 -1.045 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.942 3.550 -1.917 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.386 3.256 -1.166 1.00 0.00 H new ATOM 590 N THR A 37 -9.906 4.306 1.236 1.00 0.00 N ATOM 591 CA THR A 37 -11.277 4.760 1.025 1.00 0.00 C ATOM 592 C THR A 37 -11.903 5.143 2.365 1.00 0.00 C ATOM 593 O THR A 37 -11.185 5.459 3.313 1.00 0.00 O ATOM 594 CB THR A 37 -12.119 3.719 0.271 1.00 0.00 C ATOM 595 OG1 THR A 37 -12.876 2.914 1.159 1.00 0.00 O ATOM 596 CG2 THR A 37 -11.296 2.803 -0.617 1.00 0.00 C ATOM 0 H THR A 37 -9.806 3.514 1.871 1.00 0.00 H new ATOM 0 HA THR A 37 -11.255 5.645 0.388 1.00 0.00 H new ATOM 0 HB THR A 37 -12.782 4.308 -0.363 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.400 2.265 0.645 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.955 2.094 -1.118 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.768 3.397 -1.363 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.574 2.259 -0.008 1.00 0.00 H new ATOM 604 N GLU A 38 -13.228 5.122 2.460 1.00 0.00 N ATOM 605 CA GLU A 38 -13.880 5.483 3.714 1.00 0.00 C ATOM 606 C GLU A 38 -13.581 4.440 4.788 1.00 0.00 C ATOM 607 O GLU A 38 -12.952 4.743 5.802 1.00 0.00 O ATOM 608 CB GLU A 38 -15.392 5.608 3.513 1.00 0.00 C ATOM 609 CG GLU A 38 -15.845 7.015 3.160 1.00 0.00 C ATOM 610 CD GLU A 38 -17.231 7.047 2.547 1.00 0.00 C ATOM 611 OE1 GLU A 38 -18.194 6.644 3.234 1.00 0.00 O ATOM 612 OE2 GLU A 38 -17.354 7.474 1.380 1.00 0.00 O ATOM 0 H GLU A 38 -13.860 4.865 1.702 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.488 6.446 4.040 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -15.702 4.926 2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -15.899 5.290 4.424 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -15.835 7.632 4.059 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -15.133 7.457 2.463 1.00 0.00 H new ATOM 619 N LYS A 39 -13.991 3.202 4.536 1.00 0.00 N ATOM 620 CA LYS A 39 -13.694 2.097 5.439 1.00 0.00 C ATOM 621 C LYS A 39 -12.278 1.584 5.193 1.00 0.00 C ATOM 622 O LYS A 39 -11.478 1.432 6.116 1.00 0.00 O ATOM 623 CB LYS A 39 -14.702 0.963 5.246 1.00 0.00 C ATOM 624 CG LYS A 39 -16.149 1.397 5.426 1.00 0.00 C ATOM 625 CD LYS A 39 -16.658 1.075 6.821 1.00 0.00 C ATOM 626 CE LYS A 39 -18.164 1.260 6.920 1.00 0.00 C ATOM 627 NZ LYS A 39 -18.901 0.024 6.538 1.00 0.00 N ATOM 0 H LYS A 39 -14.531 2.938 3.712 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.768 2.458 6.465 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.579 0.545 4.247 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.480 0.166 5.955 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.234 2.469 5.245 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.774 0.898 4.685 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.399 0.047 7.076 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.163 1.718 7.548 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.429 1.540 7.939 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.472 2.081 6.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -19.924 0.191 6.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -18.668 -0.230 5.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.626 -0.754 7.171 1.00 0.00 H new ATOM 641 N LEU A 40 -11.988 1.352 3.919 1.00 0.00 N ATOM 642 CA LEU A 40 -10.707 0.815 3.475 1.00 0.00 C ATOM 643 C LEU A 40 -9.516 1.590 4.037 1.00 0.00 C ATOM 644 O LEU A 40 -8.424 1.037 4.168 1.00 0.00 O ATOM 645 CB LEU A 40 -10.659 0.844 1.941 1.00 0.00 C ATOM 646 CG LEU A 40 -10.435 -0.500 1.251 1.00 0.00 C ATOM 647 CD1 LEU A 40 -9.969 -0.279 -0.182 1.00 0.00 C ATOM 648 CD2 LEU A 40 -9.427 -1.328 2.021 1.00 0.00 C ATOM 0 H LEU A 40 -12.642 1.533 3.157 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.630 -0.206 3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.596 1.265 1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.864 1.524 1.635 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.378 -1.047 1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.812 -1.243 -0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.727 0.282 -0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.034 0.282 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.279 -2.283 1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.479 -0.793 2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.797 -1.505 3.031 1.00 0.00 H new ATOM 660 N LEU A 41 -9.703 2.870 4.347 1.00 0.00 N ATOM 661 CA LEU A 41 -8.609 3.680 4.879 1.00 0.00 C ATOM 662 C LEU A 41 -7.938 2.965 6.050 1.00 0.00 C ATOM 663 O LEU A 41 -6.724 2.775 6.054 1.00 0.00 O ATOM 664 CB LEU A 41 -9.112 5.058 5.303 1.00 0.00 C ATOM 665 CG LEU A 41 -8.160 5.862 6.192 1.00 0.00 C ATOM 666 CD1 LEU A 41 -8.272 5.397 7.633 1.00 0.00 C ATOM 667 CD2 LEU A 41 -6.727 5.738 5.694 1.00 0.00 C ATOM 0 H LEU A 41 -10.589 3.364 4.241 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.869 3.819 4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.323 5.640 4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.057 4.934 5.832 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.443 6.914 6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.590 5.976 8.256 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.294 5.540 7.983 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.012 4.340 7.696 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.066 6.317 6.339 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.425 4.691 5.711 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.662 6.118 4.674 1.00 0.00 H new ATOM 679 N ARG A 42 -8.733 2.488 7.001 1.00 0.00 N ATOM 680 CA ARG A 42 -8.180 1.703 8.102 1.00 0.00 C ATOM 681 C ARG A 42 -7.410 0.519 7.522 1.00 0.00 C ATOM 682 O ARG A 42 -6.322 0.154 7.988 1.00 0.00 O ATOM 683 CB ARG A 42 -9.288 1.215 9.038 1.00 0.00 C ATOM 684 CG ARG A 42 -10.134 0.093 8.457 1.00 0.00 C ATOM 685 CD ARG A 42 -11.541 0.101 9.025 1.00 0.00 C ATOM 686 NE ARG A 42 -11.618 -0.613 10.296 1.00 0.00 N ATOM 687 CZ ARG A 42 -12.759 -0.996 10.858 1.00 0.00 C ATOM 688 NH1 ARG A 42 -13.916 -0.737 10.265 1.00 0.00 N ATOM 689 NH2 ARG A 42 -12.744 -1.641 12.017 1.00 0.00 N ATOM 0 H ARG A 42 -9.743 2.626 7.035 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.508 2.329 8.689 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.838 0.873 9.970 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.937 2.055 9.286 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.178 0.195 7.373 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.661 -0.866 8.668 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.870 1.131 9.166 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.224 -0.356 8.309 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.747 -0.830 10.780 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.933 -0.242 9.373 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.790 -1.033 10.700 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.856 -1.843 12.477 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.620 -1.935 12.448 1.00 0.00 H new ATOM 703 N GLU A 43 -7.951 -0.036 6.448 1.00 0.00 N ATOM 704 CA GLU A 43 -7.279 -1.101 5.747 1.00 0.00 C ATOM 705 C GLU A 43 -5.965 -0.569 5.193 1.00 0.00 C ATOM 706 O GLU A 43 -4.958 -1.264 5.185 1.00 0.00 O ATOM 707 CB GLU A 43 -8.157 -1.657 4.637 1.00 0.00 C ATOM 708 CG GLU A 43 -8.632 -3.072 4.909 1.00 0.00 C ATOM 709 CD GLU A 43 -7.979 -4.095 4.001 1.00 0.00 C ATOM 710 OE1 GLU A 43 -6.739 -4.055 3.857 1.00 0.00 O ATOM 711 OE2 GLU A 43 -8.708 -4.937 3.436 1.00 0.00 O ATOM 0 H GLU A 43 -8.850 0.237 6.050 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.075 -1.921 6.436 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.023 -1.008 4.507 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.602 -1.640 3.699 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.422 -3.328 5.947 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.714 -3.118 4.782 1.00 0.00 H new ATOM 718 N THR A 44 -5.960 0.708 4.812 1.00 0.00 N ATOM 719 CA THR A 44 -4.732 1.349 4.367 1.00 0.00 C ATOM 720 C THR A 44 -3.712 1.284 5.487 1.00 0.00 C ATOM 721 O THR A 44 -2.510 1.215 5.241 1.00 0.00 O ATOM 722 CB THR A 44 -4.977 2.804 3.929 1.00 0.00 C ATOM 723 OG1 THR A 44 -6.151 2.911 3.135 1.00 0.00 O ATOM 724 CG2 THR A 44 -3.830 3.392 3.127 1.00 0.00 C ATOM 0 H THR A 44 -6.784 1.309 4.804 1.00 0.00 H new ATOM 0 HA THR A 44 -4.352 0.818 3.494 1.00 0.00 H new ATOM 0 HB THR A 44 -5.080 3.363 4.859 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.516 2.017 2.969 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.068 4.419 2.851 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.921 3.380 3.729 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.676 2.800 2.225 1.00 0.00 H new ATOM 732 N LYS A 45 -4.205 1.219 6.721 1.00 0.00 N ATOM 733 CA LYS A 45 -3.333 1.034 7.863 1.00 0.00 C ATOM 734 C LYS A 45 -2.616 -0.300 7.715 1.00 0.00 C ATOM 735 O LYS A 45 -1.387 -0.376 7.814 1.00 0.00 O ATOM 736 CB LYS A 45 -4.133 1.074 9.168 1.00 0.00 C ATOM 737 CG LYS A 45 -3.368 1.669 10.337 1.00 0.00 C ATOM 738 CD LYS A 45 -4.247 1.792 11.570 1.00 0.00 C ATOM 739 CE LYS A 45 -3.430 2.114 12.811 1.00 0.00 C ATOM 740 NZ LYS A 45 -2.425 3.181 12.554 1.00 0.00 N ATOM 0 H LYS A 45 -5.197 1.292 6.948 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.603 1.842 7.900 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.042 1.653 9.008 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.442 0.061 9.426 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.505 1.044 10.565 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.986 2.652 10.061 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.991 2.573 11.411 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.791 0.860 11.724 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.097 2.430 13.613 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.922 1.213 13.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.057 3.537 13.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.642 2.792 11.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.873 3.961 12.032 1.00 0.00 H new ATOM 754 N VAL A 46 -3.380 -1.348 7.394 1.00 0.00 N ATOM 755 CA VAL A 46 -2.767 -2.656 7.163 1.00 0.00 C ATOM 756 C VAL A 46 -2.030 -2.658 5.828 1.00 0.00 C ATOM 757 O VAL A 46 -0.982 -3.286 5.690 1.00 0.00 O ATOM 758 CB VAL A 46 -3.775 -3.825 7.203 1.00 0.00 C ATOM 759 CG1 VAL A 46 -4.509 -3.856 8.534 1.00 0.00 C ATOM 760 CG2 VAL A 46 -4.758 -3.752 6.046 1.00 0.00 C ATOM 0 H VAL A 46 -4.394 -1.319 7.291 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.068 -2.817 7.984 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.212 -4.752 7.099 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.214 -4.687 8.541 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.790 -3.983 9.343 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.050 -2.920 8.673 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.453 -4.590 6.105 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.313 -2.816 6.099 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.214 -3.798 5.103 1.00 0.00 H new ATOM 770 N GLY A 47 -2.566 -1.910 4.865 1.00 0.00 N ATOM 771 CA GLY A 47 -1.926 -1.790 3.569 1.00 0.00 C ATOM 772 C GLY A 47 -0.586 -1.101 3.679 1.00 0.00 C ATOM 773 O GLY A 47 0.350 -1.416 2.943 1.00 0.00 O ATOM 0 H GLY A 47 -3.435 -1.384 4.962 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.793 -2.780 3.134 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.571 -1.229 2.893 1.00 0.00 H new ATOM 777 N VAL A 48 -0.490 -0.166 4.620 1.00 0.00 N ATOM 778 CA VAL A 48 0.752 0.550 4.857 1.00 0.00 C ATOM 779 C VAL A 48 1.805 -0.399 5.416 1.00 0.00 C ATOM 780 O VAL A 48 2.977 -0.308 5.072 1.00 0.00 O ATOM 781 CB VAL A 48 0.552 1.741 5.820 1.00 0.00 C ATOM 782 CG1 VAL A 48 1.890 2.355 6.207 1.00 0.00 C ATOM 783 CG2 VAL A 48 -0.355 2.788 5.190 1.00 0.00 C ATOM 0 H VAL A 48 -1.260 0.111 5.229 1.00 0.00 H new ATOM 0 HA VAL A 48 1.091 0.948 3.901 1.00 0.00 H new ATOM 0 HB VAL A 48 0.074 1.370 6.727 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.724 3.192 6.885 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.506 1.604 6.701 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.400 2.710 5.311 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.485 3.620 5.882 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.095 3.151 4.266 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.326 2.344 4.970 1.00 0.00 H new ATOM 793 N GLU A 49 1.388 -1.313 6.280 1.00 0.00 N ATOM 794 CA GLU A 49 2.321 -2.285 6.830 1.00 0.00 C ATOM 795 C GLU A 49 2.885 -3.147 5.706 1.00 0.00 C ATOM 796 O GLU A 49 4.070 -3.485 5.699 1.00 0.00 O ATOM 797 CB GLU A 49 1.633 -3.150 7.885 1.00 0.00 C ATOM 798 CG GLU A 49 2.442 -3.311 9.161 1.00 0.00 C ATOM 799 CD GLU A 49 2.072 -4.563 9.931 1.00 0.00 C ATOM 800 OE1 GLU A 49 1.812 -5.601 9.287 1.00 0.00 O ATOM 801 OE2 GLU A 49 2.043 -4.506 11.178 1.00 0.00 O ATOM 0 H GLU A 49 0.427 -1.402 6.611 1.00 0.00 H new ATOM 0 HA GLU A 49 3.143 -1.757 7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.667 -2.709 8.130 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.436 -4.135 7.463 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.503 -3.342 8.913 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.288 -2.439 9.797 1.00 0.00 H new ATOM 808 N VAL A 50 2.040 -3.462 4.734 1.00 0.00 N ATOM 809 CA VAL A 50 2.495 -4.163 3.538 1.00 0.00 C ATOM 810 C VAL A 50 3.361 -3.187 2.744 1.00 0.00 C ATOM 811 O VAL A 50 4.486 -3.498 2.361 1.00 0.00 O ATOM 812 CB VAL A 50 1.321 -4.696 2.659 1.00 0.00 C ATOM 813 CG1 VAL A 50 1.660 -6.061 2.083 1.00 0.00 C ATOM 814 CG2 VAL A 50 0.018 -4.783 3.439 1.00 0.00 C ATOM 0 H VAL A 50 1.043 -3.246 4.748 1.00 0.00 H new ATOM 0 HA VAL A 50 3.060 -5.046 3.837 1.00 0.00 H new ATOM 0 HB VAL A 50 1.183 -3.982 1.848 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.829 -6.415 1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.555 -5.983 1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.839 -6.765 2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.771 -5.159 2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.144 -5.460 4.284 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.254 -3.793 3.805 1.00 0.00 H new ATOM 824 N ASN A 51 2.885 -1.948 2.647 1.00 0.00 N ATOM 825 CA ASN A 51 3.652 -0.866 2.037 1.00 0.00 C ATOM 826 C ASN A 51 5.022 -0.776 2.689 1.00 0.00 C ATOM 827 O ASN A 51 5.998 -0.379 2.060 1.00 0.00 O ATOM 828 CB ASN A 51 2.912 0.463 2.211 1.00 0.00 C ATOM 829 CG ASN A 51 3.462 1.563 1.339 1.00 0.00 C ATOM 830 OD1 ASN A 51 4.032 1.302 0.282 1.00 0.00 O ATOM 831 ND2 ASN A 51 3.285 2.803 1.781 1.00 0.00 N ATOM 0 H ASN A 51 1.965 -1.668 2.986 1.00 0.00 H new ATOM 0 HA ASN A 51 3.771 -1.072 0.973 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.857 0.318 1.980 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.971 0.771 3.255 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.629 3.593 1.235 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.805 2.965 2.666 1.00 0.00 H new ATOM 838 N LYS A 52 5.071 -1.098 3.974 1.00 0.00 N ATOM 839 CA LYS A 52 6.315 -1.068 4.717 1.00 0.00 C ATOM 840 C LYS A 52 7.246 -2.171 4.236 1.00 0.00 C ATOM 841 O LYS A 52 8.460 -1.992 4.173 1.00 0.00 O ATOM 842 CB LYS A 52 6.048 -1.236 6.214 1.00 0.00 C ATOM 843 CG LYS A 52 6.093 0.069 6.991 1.00 0.00 C ATOM 844 CD LYS A 52 5.522 -0.095 8.390 1.00 0.00 C ATOM 845 CE LYS A 52 4.689 1.111 8.795 1.00 0.00 C ATOM 846 NZ LYS A 52 3.512 0.721 9.618 1.00 0.00 N ATOM 0 H LYS A 52 4.259 -1.383 4.522 1.00 0.00 H new ATOM 0 HA LYS A 52 6.790 -0.102 4.548 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.070 -1.697 6.350 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.785 -1.923 6.631 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.123 0.419 7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.530 0.833 6.454 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.907 -0.994 8.430 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.335 -0.233 9.103 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.310 1.809 9.357 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.350 1.635 7.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.970 1.571 9.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.906 0.075 9.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.836 0.244 10.483 1.00 0.00 H new ATOM 860 N PHE A 53 6.654 -3.323 3.906 1.00 0.00 N ATOM 861 CA PHE A 53 7.408 -4.512 3.492 1.00 0.00 C ATOM 862 C PHE A 53 8.716 -4.634 4.277 1.00 0.00 C ATOM 863 O PHE A 53 9.807 -4.590 3.711 1.00 0.00 O ATOM 864 CB PHE A 53 7.680 -4.528 1.981 1.00 0.00 C ATOM 865 CG PHE A 53 8.235 -3.257 1.418 1.00 0.00 C ATOM 866 CD1 PHE A 53 9.601 -3.056 1.342 1.00 0.00 C ATOM 867 CD2 PHE A 53 7.388 -2.304 0.880 1.00 0.00 C ATOM 868 CE1 PHE A 53 10.110 -1.900 0.792 1.00 0.00 C ATOM 869 CE2 PHE A 53 7.892 -1.141 0.333 1.00 0.00 C ATOM 870 CZ PHE A 53 9.262 -0.946 0.288 1.00 0.00 C ATOM 0 H PHE A 53 5.643 -3.458 3.918 1.00 0.00 H new ATOM 0 HA PHE A 53 6.785 -5.377 3.719 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.376 -5.338 1.762 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.749 -4.760 1.463 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.275 -3.812 1.717 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.321 -2.472 0.888 1.00 0.00 H new ATOM 0 HE1 PHE A 53 11.178 -1.744 0.757 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.222 -0.389 -0.057 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.664 -0.042 -0.144 1.00 0.00 H new ATOM 880 N LYS A 54 8.583 -4.752 5.594 1.00 0.00 N ATOM 881 CA LYS A 54 9.728 -4.807 6.492 1.00 0.00 C ATOM 882 C LYS A 54 10.675 -5.981 6.160 1.00 0.00 C ATOM 883 O LYS A 54 11.214 -6.039 5.055 1.00 0.00 O ATOM 884 CB LYS A 54 9.229 -4.861 7.937 1.00 0.00 C ATOM 885 CG LYS A 54 10.315 -4.586 8.962 1.00 0.00 C ATOM 886 CD LYS A 54 10.530 -3.092 9.159 1.00 0.00 C ATOM 887 CE LYS A 54 9.299 -2.424 9.752 1.00 0.00 C ATOM 888 NZ LYS A 54 9.658 -1.249 10.595 1.00 0.00 N ATOM 0 H LYS A 54 7.681 -4.812 6.066 1.00 0.00 H new ATOM 0 HA LYS A 54 10.323 -3.904 6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.428 -4.133 8.064 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.800 -5.844 8.129 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.044 -5.044 9.913 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.247 -5.049 8.639 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.385 -2.930 9.816 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.771 -2.629 8.202 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.636 -2.105 8.948 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.747 -3.147 10.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.792 -0.821 10.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.270 -1.557 11.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.162 -0.548 10.016 1.00 0.00 H new ATOM 902 N LYS A 55 10.924 -6.887 7.119 1.00 0.00 N ATOM 903 CA LYS A 55 11.860 -7.988 6.905 1.00 0.00 C ATOM 904 C LYS A 55 11.214 -9.150 6.157 1.00 0.00 C ATOM 905 O LYS A 55 11.368 -9.279 4.943 1.00 0.00 O ATOM 906 CB LYS A 55 12.411 -8.473 8.245 1.00 0.00 C ATOM 907 CG LYS A 55 13.270 -7.438 8.949 1.00 0.00 C ATOM 908 CD LYS A 55 14.435 -6.999 8.078 1.00 0.00 C ATOM 909 CE LYS A 55 14.122 -5.707 7.339 1.00 0.00 C ATOM 910 NZ LYS A 55 14.957 -4.573 7.824 1.00 0.00 N ATOM 0 H LYS A 55 10.490 -6.874 8.042 1.00 0.00 H new ATOM 0 HA LYS A 55 12.675 -7.611 6.287 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.580 -8.748 8.894 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.001 -9.375 8.083 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.660 -6.572 9.207 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.648 -7.852 9.884 1.00 0.00 H new ATOM 0 HD2 LYS A 55 15.321 -6.860 8.697 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.669 -7.784 7.358 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.289 -5.850 6.271 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.068 -5.462 7.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.713 -3.711 7.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.779 -4.419 8.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.963 -4.795 7.679 1.00 0.00 H new ATOM 924 N SER A 56 10.504 -10.005 6.888 1.00 0.00 N ATOM 925 CA SER A 56 9.848 -11.157 6.284 1.00 0.00 C ATOM 926 C SER A 56 8.869 -10.705 5.212 1.00 0.00 C ATOM 927 O SER A 56 8.551 -11.457 4.292 1.00 0.00 O ATOM 928 CB SER A 56 9.115 -11.977 7.344 1.00 0.00 C ATOM 929 OG SER A 56 9.983 -12.336 8.405 1.00 0.00 O ATOM 0 H SER A 56 10.369 -9.921 7.896 1.00 0.00 H new ATOM 0 HA SER A 56 10.613 -11.783 5.825 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.276 -11.402 7.736 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.701 -12.877 6.889 1.00 0.00 H new ATOM 0 HG SER A 56 9.488 -12.859 9.070 1.00 0.00 H new ATOM 935 N THR A 57 8.396 -9.472 5.336 1.00 0.00 N ATOM 936 CA THR A 57 7.523 -8.901 4.334 1.00 0.00 C ATOM 937 C THR A 57 8.383 -8.233 3.281 1.00 0.00 C ATOM 938 O THR A 57 8.392 -7.014 3.131 1.00 0.00 O ATOM 939 CB THR A 57 6.557 -7.904 4.978 1.00 0.00 C ATOM 940 OG1 THR A 57 7.092 -7.398 6.188 1.00 0.00 O ATOM 941 CG2 THR A 57 5.202 -8.496 5.285 1.00 0.00 C ATOM 0 H THR A 57 8.605 -8.854 6.120 1.00 0.00 H new ATOM 0 HA THR A 57 6.920 -9.680 3.867 1.00 0.00 H new ATOM 0 HB THR A 57 6.428 -7.111 4.242 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.461 -6.761 6.584 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.567 -7.735 5.740 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.741 -8.849 4.362 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.318 -9.332 5.975 1.00 0.00 H new ATOM 949 N ASN A 58 9.124 -9.069 2.575 1.00 0.00 N ATOM 950 CA ASN A 58 10.062 -8.626 1.565 1.00 0.00 C ATOM 951 C ASN A 58 9.366 -7.899 0.424 1.00 0.00 C ATOM 952 O ASN A 58 8.154 -7.989 0.267 1.00 0.00 O ATOM 953 CB ASN A 58 10.851 -9.810 1.022 1.00 0.00 C ATOM 954 CG ASN A 58 12.289 -9.816 1.502 1.00 0.00 C ATOM 955 OD1 ASN A 58 12.755 -8.855 2.112 1.00 0.00 O ATOM 956 ND2 ASN A 58 13.000 -10.903 1.227 1.00 0.00 N ATOM 0 H ASN A 58 9.089 -10.082 2.689 1.00 0.00 H new ATOM 0 HA ASN A 58 10.745 -7.922 2.040 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.365 -10.737 1.327 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.835 -9.785 -0.068 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.974 -10.964 1.524 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.572 -11.677 0.718 1.00 0.00 H new ATOM 963 N VAL A 59 10.145 -7.134 -0.333 1.00 0.00 N ATOM 964 CA VAL A 59 9.633 -6.342 -1.445 1.00 0.00 C ATOM 965 C VAL A 59 8.541 -7.059 -2.231 1.00 0.00 C ATOM 966 O VAL A 59 7.636 -6.418 -2.764 1.00 0.00 O ATOM 967 CB VAL A 59 10.771 -5.954 -2.407 1.00 0.00 C ATOM 968 CG1 VAL A 59 11.283 -7.171 -3.166 1.00 0.00 C ATOM 969 CG2 VAL A 59 10.308 -4.871 -3.369 1.00 0.00 C ATOM 0 H VAL A 59 11.151 -7.046 -0.192 1.00 0.00 H new ATOM 0 HA VAL A 59 9.194 -5.448 -1.002 1.00 0.00 H new ATOM 0 HB VAL A 59 11.597 -5.558 -1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.086 -6.869 -3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.660 -7.909 -2.458 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.469 -7.607 -3.746 1.00 0.00 H new ATOM 0 HG21 VAL A 59 11.124 -4.609 -4.042 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.462 -5.238 -3.951 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.005 -3.989 -2.805 1.00 0.00 H new ATOM 979 N GLU A 60 8.597 -8.389 -2.280 1.00 0.00 N ATOM 980 CA GLU A 60 7.549 -9.156 -2.963 1.00 0.00 C ATOM 981 C GLU A 60 6.186 -8.691 -2.461 1.00 0.00 C ATOM 982 O GLU A 60 5.193 -8.707 -3.187 1.00 0.00 O ATOM 983 CB GLU A 60 7.704 -10.661 -2.720 1.00 0.00 C ATOM 984 CG GLU A 60 8.320 -11.017 -1.388 1.00 0.00 C ATOM 985 CD GLU A 60 9.788 -11.373 -1.504 1.00 0.00 C ATOM 986 OE1 GLU A 60 10.392 -11.066 -2.552 1.00 0.00 O ATOM 987 OE2 GLU A 60 10.334 -11.959 -0.545 1.00 0.00 O ATOM 0 H GLU A 60 9.340 -8.952 -1.865 1.00 0.00 H new ATOM 0 HA GLU A 60 7.637 -8.982 -4.035 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.723 -11.131 -2.790 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.318 -11.084 -3.515 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.206 -10.177 -0.703 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.779 -11.858 -0.954 1.00 0.00 H new ATOM 994 N ILE A 61 6.187 -8.205 -1.225 1.00 0.00 N ATOM 995 CA ILE A 61 5.011 -7.655 -0.598 1.00 0.00 C ATOM 996 C ILE A 61 4.362 -6.609 -1.509 1.00 0.00 C ATOM 997 O ILE A 61 3.145 -6.471 -1.532 1.00 0.00 O ATOM 998 CB ILE A 61 5.397 -7.042 0.784 1.00 0.00 C ATOM 999 CG1 ILE A 61 5.266 -8.073 1.915 1.00 0.00 C ATOM 1000 CG2 ILE A 61 4.562 -5.814 1.126 1.00 0.00 C ATOM 1001 CD1 ILE A 61 5.379 -9.526 1.492 1.00 0.00 C ATOM 0 H ILE A 61 7.017 -8.186 -0.632 1.00 0.00 H new ATOM 0 HA ILE A 61 4.281 -8.448 -0.434 1.00 0.00 H new ATOM 0 HB ILE A 61 6.439 -6.736 0.695 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.035 -7.869 2.660 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.303 -7.929 2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.869 -5.424 2.097 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.711 -5.049 0.364 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.508 -6.089 1.162 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.272 -10.169 2.366 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.593 -9.758 0.773 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.353 -9.697 1.033 1.00 0.00 H new ATOM 1013 N SER A 62 5.183 -5.857 -2.240 1.00 0.00 N ATOM 1014 CA SER A 62 4.661 -4.806 -3.113 1.00 0.00 C ATOM 1015 C SER A 62 3.558 -5.350 -4.003 1.00 0.00 C ATOM 1016 O SER A 62 2.455 -4.815 -4.040 1.00 0.00 O ATOM 1017 CB SER A 62 5.783 -4.206 -3.962 1.00 0.00 C ATOM 1018 OG SER A 62 5.593 -2.814 -4.150 1.00 0.00 O ATOM 0 H SER A 62 6.198 -5.953 -2.247 1.00 0.00 H new ATOM 0 HA SER A 62 4.242 -4.018 -2.487 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.744 -4.383 -3.478 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.817 -4.705 -4.930 1.00 0.00 H new ATOM 0 HG SER A 62 5.039 -2.458 -3.424 1.00 0.00 H new ATOM 1024 N LYS A 63 3.828 -6.442 -4.679 1.00 0.00 N ATOM 1025 CA LYS A 63 2.796 -7.076 -5.466 1.00 0.00 C ATOM 1026 C LYS A 63 1.781 -7.705 -4.542 1.00 0.00 C ATOM 1027 O LYS A 63 0.599 -7.801 -4.867 1.00 0.00 O ATOM 1028 CB LYS A 63 3.380 -8.104 -6.396 1.00 0.00 C ATOM 1029 CG LYS A 63 3.796 -7.481 -7.700 1.00 0.00 C ATOM 1030 CD LYS A 63 5.148 -7.992 -8.171 1.00 0.00 C ATOM 1031 CE LYS A 63 5.026 -9.346 -8.851 1.00 0.00 C ATOM 1032 NZ LYS A 63 6.300 -10.113 -8.795 1.00 0.00 N ATOM 0 H LYS A 63 4.737 -6.904 -4.701 1.00 0.00 H new ATOM 0 HA LYS A 63 2.305 -6.322 -6.081 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.241 -8.578 -5.925 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.647 -8.889 -6.582 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.044 -7.694 -8.459 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.837 -6.398 -7.587 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.588 -7.274 -8.863 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.825 -8.071 -7.320 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.234 -9.922 -8.372 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.733 -9.204 -9.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.174 -11.030 -9.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.050 -9.575 -9.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.567 -10.271 -7.802 1.00 0.00 H new ATOM 1046 N LEU A 64 2.248 -8.121 -3.372 1.00 0.00 N ATOM 1047 CA LEU A 64 1.361 -8.688 -2.389 1.00 0.00 C ATOM 1048 C LEU A 64 0.296 -7.666 -2.024 1.00 0.00 C ATOM 1049 O LEU A 64 -0.872 -8.010 -1.850 1.00 0.00 O ATOM 1050 CB LEU A 64 2.128 -9.129 -1.147 1.00 0.00 C ATOM 1051 CG LEU A 64 1.385 -10.126 -0.260 1.00 0.00 C ATOM 1052 CD1 LEU A 64 2.290 -11.291 0.108 1.00 0.00 C ATOM 1053 CD2 LEU A 64 0.863 -9.435 0.988 1.00 0.00 C ATOM 0 H LEU A 64 3.227 -8.074 -3.091 1.00 0.00 H new ATOM 0 HA LEU A 64 0.885 -9.572 -2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.073 -9.574 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.371 -8.247 -0.554 1.00 0.00 H new ATOM 0 HG LEU A 64 0.534 -10.519 -0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.743 -11.991 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.615 -11.800 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.161 -10.919 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.336 -10.158 1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.699 -9.015 1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.180 -8.635 0.702 1.00 0.00 H new ATOM 1065 N VAL A 65 0.695 -6.390 -1.950 1.00 0.00 N ATOM 1066 CA VAL A 65 -0.267 -5.333 -1.694 1.00 0.00 C ATOM 1067 C VAL A 65 -1.239 -5.284 -2.859 1.00 0.00 C ATOM 1068 O VAL A 65 -2.444 -5.119 -2.666 1.00 0.00 O ATOM 1069 CB VAL A 65 0.367 -3.947 -1.429 1.00 0.00 C ATOM 1070 CG1 VAL A 65 0.843 -3.256 -2.701 1.00 0.00 C ATOM 1071 CG2 VAL A 65 -0.628 -3.066 -0.702 1.00 0.00 C ATOM 0 H VAL A 65 1.659 -6.077 -2.062 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.786 -5.574 -0.766 1.00 0.00 H new ATOM 0 HB VAL A 65 1.251 -4.110 -0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.278 -2.289 -2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.594 -3.875 -3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.002 -3.110 -3.374 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.181 -2.090 -0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.522 -2.945 -1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.898 -3.529 0.247 1.00 0.00 H new ATOM 1081 N LYS A 66 -0.728 -5.561 -4.064 1.00 0.00 N ATOM 1082 CA LYS A 66 -1.594 -5.645 -5.230 1.00 0.00 C ATOM 1083 C LYS A 66 -2.615 -6.758 -5.004 1.00 0.00 C ATOM 1084 O LYS A 66 -3.825 -6.562 -5.133 1.00 0.00 O ATOM 1085 CB LYS A 66 -0.783 -5.910 -6.497 1.00 0.00 C ATOM 1086 CG LYS A 66 -1.524 -5.566 -7.775 1.00 0.00 C ATOM 1087 CD LYS A 66 -0.609 -4.849 -8.748 1.00 0.00 C ATOM 1088 CE LYS A 66 0.516 -5.754 -9.212 1.00 0.00 C ATOM 1089 NZ LYS A 66 0.072 -6.693 -10.279 1.00 0.00 N ATOM 0 H LYS A 66 0.261 -5.727 -4.249 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.109 -4.694 -5.365 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.140 -5.332 -6.455 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.499 -6.962 -6.523 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.910 -6.476 -8.234 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.383 -4.936 -7.545 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.184 -4.509 -9.609 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.192 -3.961 -8.272 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.340 -5.146 -9.584 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.897 -6.323 -8.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.871 -7.293 -10.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.698 -7.291 -9.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.268 -6.151 -11.099 1.00 0.00 H new ATOM 1103 N LYS A 67 -2.118 -7.917 -4.593 1.00 0.00 N ATOM 1104 CA LYS A 67 -2.992 -9.028 -4.247 1.00 0.00 C ATOM 1105 C LYS A 67 -3.926 -8.583 -3.131 1.00 0.00 C ATOM 1106 O LYS A 67 -5.124 -8.889 -3.129 1.00 0.00 O ATOM 1107 CB LYS A 67 -2.176 -10.242 -3.800 1.00 0.00 C ATOM 1108 CG LYS A 67 -3.028 -11.431 -3.387 1.00 0.00 C ATOM 1109 CD LYS A 67 -3.637 -12.128 -4.594 1.00 0.00 C ATOM 1110 CE LYS A 67 -5.141 -12.285 -4.447 1.00 0.00 C ATOM 1111 NZ LYS A 67 -5.518 -13.666 -4.037 1.00 0.00 N ATOM 0 H LYS A 67 -1.122 -8.111 -4.492 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.571 -9.320 -5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.515 -10.544 -4.613 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.540 -9.953 -2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.418 -12.139 -2.826 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.822 -11.096 -2.720 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.416 -11.556 -5.495 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.178 -13.109 -4.719 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.510 -11.574 -3.708 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.625 -12.042 -5.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.552 -13.732 -3.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.189 -14.343 -4.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.077 -13.889 -3.122 1.00 0.00 H new ATOM 1125 N MET A 68 -3.367 -7.811 -2.206 1.00 0.00 N ATOM 1126 CA MET A 68 -4.136 -7.244 -1.115 1.00 0.00 C ATOM 1127 C MET A 68 -5.273 -6.400 -1.678 1.00 0.00 C ATOM 1128 O MET A 68 -6.330 -6.296 -1.069 1.00 0.00 O ATOM 1129 CB MET A 68 -3.234 -6.410 -0.197 1.00 0.00 C ATOM 1130 CG MET A 68 -3.421 -6.669 1.293 1.00 0.00 C ATOM 1131 SD MET A 68 -5.142 -6.913 1.776 1.00 0.00 S ATOM 1132 CE MET A 68 -4.944 -7.886 3.267 1.00 0.00 C ATOM 0 H MET A 68 -2.377 -7.565 -2.194 1.00 0.00 H new ATOM 0 HA MET A 68 -4.561 -8.051 -0.518 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.194 -6.607 -0.457 1.00 0.00 H new ATOM 0 HB3 MET A 68 -3.418 -5.354 -0.393 1.00 0.00 H new ATOM 0 HG2 MET A 68 -2.845 -7.551 1.575 1.00 0.00 H new ATOM 0 HG3 MET A 68 -3.011 -5.828 1.853 1.00 0.00 H new ATOM 0 HE1 MET A 68 -5.924 -8.117 3.684 1.00 0.00 H new ATOM 0 HE2 MET A 68 -4.423 -8.814 3.030 1.00 0.00 H new ATOM 0 HE3 MET A 68 -4.364 -7.321 3.996 1.00 0.00 H new ATOM 1142 N ILE A 69 -5.049 -5.792 -2.851 1.00 0.00 N ATOM 1143 CA ILE A 69 -6.100 -5.016 -3.509 1.00 0.00 C ATOM 1144 C ILE A 69 -7.299 -5.904 -3.777 1.00 0.00 C ATOM 1145 O ILE A 69 -8.436 -5.550 -3.470 1.00 0.00 O ATOM 1146 CB ILE A 69 -5.650 -4.402 -4.850 1.00 0.00 C ATOM 1147 CG1 ILE A 69 -4.437 -3.506 -4.652 1.00 0.00 C ATOM 1148 CG2 ILE A 69 -6.789 -3.611 -5.481 1.00 0.00 C ATOM 1149 CD1 ILE A 69 -3.971 -2.849 -5.933 1.00 0.00 C ATOM 0 H ILE A 69 -4.163 -5.823 -3.355 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.349 -4.200 -2.831 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.373 -5.215 -5.521 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.678 -2.734 -3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.621 -4.096 -4.235 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.455 -3.184 -6.427 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -7.636 -4.273 -5.661 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.092 -2.809 -4.808 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.103 -2.223 -5.726 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.700 -3.617 -6.658 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.774 -2.234 -6.339 1.00 0.00 H new ATOM 1161 N SER A 70 -7.028 -7.073 -4.342 1.00 0.00 N ATOM 1162 CA SER A 70 -8.089 -8.023 -4.653 1.00 0.00 C ATOM 1163 C SER A 70 -8.962 -8.260 -3.425 1.00 0.00 C ATOM 1164 O SER A 70 -10.188 -8.173 -3.496 1.00 0.00 O ATOM 1165 CB SER A 70 -7.494 -9.347 -5.138 1.00 0.00 C ATOM 1166 OG SER A 70 -6.502 -9.131 -6.128 1.00 0.00 O ATOM 0 H SER A 70 -6.090 -7.385 -4.593 1.00 0.00 H new ATOM 0 HA SER A 70 -8.706 -7.605 -5.448 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.059 -9.884 -4.295 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.285 -9.977 -5.544 1.00 0.00 H new ATOM 0 HG SER A 70 -6.137 -9.993 -6.419 1.00 0.00 H new ATOM 1172 N SER A 71 -8.319 -8.539 -2.296 1.00 0.00 N ATOM 1173 CA SER A 71 -9.036 -8.760 -1.044 1.00 0.00 C ATOM 1174 C SER A 71 -9.486 -7.440 -0.416 1.00 0.00 C ATOM 1175 O SER A 71 -10.441 -7.408 0.359 1.00 0.00 O ATOM 1176 CB SER A 71 -8.154 -9.530 -0.060 1.00 0.00 C ATOM 1177 OG SER A 71 -8.778 -9.638 1.208 1.00 0.00 O ATOM 0 H SER A 71 -7.305 -8.617 -2.222 1.00 0.00 H new ATOM 0 HA SER A 71 -9.926 -9.348 -1.270 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.948 -10.525 -0.453 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.194 -9.024 0.045 1.00 0.00 H new ATOM 0 HG SER A 71 -8.195 -10.136 1.818 1.00 0.00 H new ATOM 1183 N TRP A 72 -8.782 -6.356 -0.738 1.00 0.00 N ATOM 1184 CA TRP A 72 -9.095 -5.045 -0.175 1.00 0.00 C ATOM 1185 C TRP A 72 -10.554 -4.689 -0.416 1.00 0.00 C ATOM 1186 O TRP A 72 -11.285 -4.361 0.519 1.00 0.00 O ATOM 1187 CB TRP A 72 -8.193 -3.963 -0.783 1.00 0.00 C ATOM 1188 CG TRP A 72 -6.900 -3.773 -0.056 1.00 0.00 C ATOM 1189 CD1 TRP A 72 -6.579 -4.246 1.181 1.00 0.00 C ATOM 1190 CD2 TRP A 72 -5.759 -3.037 -0.512 1.00 0.00 C ATOM 1191 NE1 TRP A 72 -5.303 -3.862 1.519 1.00 0.00 N ATOM 1192 CE2 TRP A 72 -4.780 -3.115 0.496 1.00 0.00 C ATOM 1193 CE3 TRP A 72 -5.471 -2.319 -1.677 1.00 0.00 C ATOM 1194 CZ2 TRP A 72 -3.534 -2.503 0.373 1.00 0.00 C ATOM 1195 CZ3 TRP A 72 -4.233 -1.717 -1.797 1.00 0.00 C ATOM 1196 CH2 TRP A 72 -3.284 -1.806 -0.776 1.00 0.00 C ATOM 0 H TRP A 72 -7.993 -6.360 -1.384 1.00 0.00 H new ATOM 0 HA TRP A 72 -8.916 -5.093 0.899 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -7.981 -4.222 -1.820 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -8.734 -3.017 -0.795 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -7.232 -4.837 1.806 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -4.824 -4.095 2.389 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -6.202 -2.237 -2.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -2.794 -2.577 1.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.995 -1.168 -2.696 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -2.331 -1.313 -0.897 1.00 0.00 H new ATOM 1207 N LYS A 73 -10.977 -4.774 -1.669 1.00 0.00 N ATOM 1208 CA LYS A 73 -12.360 -4.495 -2.019 1.00 0.00 C ATOM 1209 C LYS A 73 -13.254 -5.612 -1.499 1.00 0.00 C ATOM 1210 O LYS A 73 -14.405 -5.383 -1.126 1.00 0.00 O ATOM 1211 CB LYS A 73 -12.510 -4.339 -3.531 1.00 0.00 C ATOM 1212 CG LYS A 73 -12.089 -2.968 -4.040 1.00 0.00 C ATOM 1213 CD LYS A 73 -13.207 -2.298 -4.823 1.00 0.00 C ATOM 1214 CE LYS A 73 -12.742 -1.875 -6.207 1.00 0.00 C ATOM 1215 NZ LYS A 73 -13.289 -2.761 -7.273 1.00 0.00 N ATOM 0 H LYS A 73 -10.384 -5.033 -2.457 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.663 -3.557 -1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.913 -5.103 -4.029 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.549 -4.518 -3.806 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.805 -2.337 -3.198 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.208 -3.069 -4.674 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.050 -2.983 -4.915 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.564 -1.426 -4.276 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.052 -0.847 -6.395 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.653 -1.892 -6.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.948 -2.439 -8.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.973 -3.738 -7.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.328 -2.726 -7.254 1.00 0.00 H new