USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 757 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 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 49:sc= 0.493 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -7.03! C(o=-7!,f=-16!) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.164 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= -1.2 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.341 X(o=-0.34,f=-0.014) USER MOD Single : A 30 ASN : amide:sc=-0.00901 X(o=-0.009,f=0.18) USER MOD Single : A 31 THR OG1 : rot 150:sc= -1.22 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -84:sc= -0.0669 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -2:sc= 0.631 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -34:sc= -1.55 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -3.85! C(o=-3.8!,f=-11!) USER MOD Single : A 82 CYS SG : rot 180:sc= -4.24! USER MOD Single : A 84 GLN : amide:sc= -0.671 K(o=-0.67,f=-3!) USER MOD Single : A 85 ASN : amide:sc= -2.35! C(o=-2.4!,f=-3!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -79:sc= 0.921 USER MOD Single : A 104 HIS : no HD1:sc= -0.399 X(o=-0.4,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 7 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA LEU A 7 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C LEU A 7 2.391 -1.442 -1.644 1.00 0.00 C ATOM 4 O LEU A 7 1.990 -2.382 -0.960 1.00 0.00 O ATOM 5 CB LEU A 7 3.310 0.892 -1.127 1.00 0.00 C ATOM 6 CG LEU A 7 3.045 2.373 -0.844 1.00 0.00 C ATOM 7 CD1 LEU A 7 4.323 3.082 -0.392 1.00 0.00 C ATOM 8 CD2 LEU A 7 2.408 3.057 -2.055 1.00 0.00 C ATOM 0 HA LEU A 7 1.474 0.429 -2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.943 0.498 -0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.878 0.816 -2.054 1.00 0.00 H new ATOM 0 HG LEU A 7 2.331 2.441 -0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.107 4.133 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.696 2.614 0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.078 3.006 -1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.230 4.108 -1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.078 2.979 -2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.461 2.572 -2.291 1.00 0.00 H new ATOM 20 N SER A 8 3.110 -1.572 -2.750 1.00 0.00 N ATOM 21 CA SER A 8 3.487 -2.884 -3.248 1.00 0.00 C ATOM 22 C SER A 8 4.772 -2.782 -4.071 1.00 0.00 C ATOM 23 O SER A 8 5.244 -1.683 -4.358 1.00 0.00 O ATOM 24 CB SER A 8 2.365 -3.497 -4.089 1.00 0.00 C ATOM 25 OG SER A 8 1.325 -2.560 -4.356 1.00 0.00 O ATOM 0 H SER A 8 3.441 -0.790 -3.315 1.00 0.00 H new ATOM 0 HA SER A 8 3.662 -3.537 -2.393 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.775 -3.861 -5.031 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.951 -4.360 -3.567 1.00 0.00 H new ATOM 0 HG SER A 8 0.629 -2.989 -4.896 1.00 0.00 H new ATOM 31 N LEU A 9 5.302 -3.943 -4.428 1.00 0.00 N ATOM 32 CA LEU A 9 6.524 -3.998 -5.213 1.00 0.00 C ATOM 33 C LEU A 9 6.195 -3.715 -6.681 1.00 0.00 C ATOM 34 O LEU A 9 7.003 -3.128 -7.399 1.00 0.00 O ATOM 35 CB LEU A 9 7.245 -5.329 -4.990 1.00 0.00 C ATOM 36 CG LEU A 9 7.773 -5.576 -3.575 1.00 0.00 C ATOM 37 CD1 LEU A 9 8.260 -7.018 -3.416 1.00 0.00 C ATOM 38 CD2 LEU A 9 8.858 -4.561 -3.210 1.00 0.00 C ATOM 0 H LEU A 9 4.908 -4.853 -4.188 1.00 0.00 H new ATOM 0 HA LEU A 9 7.221 -3.226 -4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.561 -6.138 -5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.083 -5.387 -5.685 1.00 0.00 H new ATOM 0 HG LEU A 9 6.951 -5.434 -2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 9 8.630 -7.167 -2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.434 -7.704 -3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.063 -7.211 -4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.216 -4.759 -2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.687 -4.647 -3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.445 -3.554 -3.258 1.00 0.00 H new ATOM 50 N THR A 10 5.008 -4.146 -7.082 1.00 0.00 N ATOM 51 CA THR A 10 4.563 -3.947 -8.450 1.00 0.00 C ATOM 52 C THR A 10 4.608 -2.462 -8.815 1.00 0.00 C ATOM 53 O THR A 10 5.358 -2.058 -9.702 1.00 0.00 O ATOM 54 CB THR A 10 3.171 -4.565 -8.590 1.00 0.00 C ATOM 55 OG1 THR A 10 3.417 -5.968 -8.641 1.00 0.00 O ATOM 56 CG2 THR A 10 2.523 -4.251 -9.940 1.00 0.00 C ATOM 0 H THR A 10 4.341 -4.632 -6.483 1.00 0.00 H new ATOM 0 HA THR A 10 5.227 -4.444 -9.157 1.00 0.00 H new ATOM 0 HB THR A 10 2.530 -4.201 -7.787 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.566 -6.446 -8.730 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.537 -4.713 -9.987 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.423 -3.172 -10.053 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.146 -4.644 -10.743 1.00 0.00 H new ATOM 64 N GLN A 11 3.794 -1.688 -8.112 1.00 0.00 N ATOM 65 CA GLN A 11 3.730 -0.256 -8.350 1.00 0.00 C ATOM 66 C GLN A 11 5.103 0.381 -8.122 1.00 0.00 C ATOM 67 O GLN A 11 5.464 1.343 -8.797 1.00 0.00 O ATOM 68 CB GLN A 11 2.668 0.400 -7.466 1.00 0.00 C ATOM 69 CG GLN A 11 1.472 0.864 -8.300 1.00 0.00 C ATOM 70 CD GLN A 11 0.959 2.222 -7.816 1.00 0.00 C ATOM 71 OE1 GLN A 11 0.003 2.322 -7.065 1.00 0.00 O ATOM 72 NE2 GLN A 11 1.647 3.259 -8.286 1.00 0.00 N ATOM 0 H GLN A 11 3.173 -2.026 -7.377 1.00 0.00 H new ATOM 0 HA GLN A 11 3.442 -0.092 -9.389 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.334 -0.307 -6.707 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.102 1.251 -6.941 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.761 0.933 -9.349 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.672 0.126 -8.237 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.438 3.105 -8.912 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.384 4.208 -8.021 1.00 0.00 H new ATOM 81 N LEU A 12 5.830 -0.182 -7.168 1.00 0.00 N ATOM 82 CA LEU A 12 7.155 0.319 -6.843 1.00 0.00 C ATOM 83 C LEU A 12 7.902 0.649 -8.136 1.00 0.00 C ATOM 84 O LEU A 12 8.528 1.703 -8.244 1.00 0.00 O ATOM 85 CB LEU A 12 7.895 -0.670 -5.940 1.00 0.00 C ATOM 86 CG LEU A 12 8.806 -0.055 -4.876 1.00 0.00 C ATOM 87 CD1 LEU A 12 10.056 0.556 -5.512 1.00 0.00 C ATOM 88 CD2 LEU A 12 8.043 0.959 -4.021 1.00 0.00 C ATOM 0 H LEU A 12 5.527 -0.980 -6.610 1.00 0.00 H new ATOM 0 HA LEU A 12 7.083 1.244 -6.271 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.157 -1.297 -5.440 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.496 -1.326 -6.569 1.00 0.00 H new ATOM 0 HG LEU A 12 9.140 -0.851 -4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.687 0.986 -4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.611 -0.219 -6.041 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.763 1.336 -6.214 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.713 1.381 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.661 1.757 -4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.210 0.462 -3.523 1.00 0.00 H new ATOM 100 N SER A 13 7.812 -0.271 -9.086 1.00 0.00 N ATOM 101 CA SER A 13 8.472 -0.090 -10.368 1.00 0.00 C ATOM 102 C SER A 13 8.007 -1.166 -11.351 1.00 0.00 C ATOM 103 O SER A 13 8.818 -1.935 -11.864 1.00 0.00 O ATOM 104 CB SER A 13 9.994 -0.133 -10.214 1.00 0.00 C ATOM 105 OG SER A 13 10.563 1.173 -10.175 1.00 0.00 O ATOM 0 H SER A 13 7.292 -1.144 -8.993 1.00 0.00 H new ATOM 0 HA SER A 13 8.201 0.891 -10.758 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.251 -0.668 -9.300 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.427 -0.693 -11.043 1.00 0.00 H new ATOM 0 HG SER A 13 10.067 1.727 -9.537 1.00 0.00 H new ATOM 111 N SER A 14 6.703 -1.185 -11.585 1.00 0.00 N ATOM 112 CA SER A 14 6.121 -2.154 -12.499 1.00 0.00 C ATOM 113 C SER A 14 6.494 -3.573 -12.064 1.00 0.00 C ATOM 114 O SER A 14 6.404 -4.511 -12.854 1.00 0.00 O ATOM 115 CB SER A 14 6.580 -1.901 -13.936 1.00 0.00 C ATOM 116 OG SER A 14 5.509 -1.470 -14.771 1.00 0.00 O ATOM 0 H SER A 14 6.033 -0.545 -11.158 1.00 0.00 H new ATOM 0 HA SER A 14 5.037 -2.045 -12.469 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.367 -1.147 -13.938 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.013 -2.814 -14.344 1.00 0.00 H new ATOM 0 HG SER A 14 5.843 -1.318 -15.679 1.00 0.00 H new ATOM 122 N GLY A 15 6.904 -3.684 -10.809 1.00 0.00 N ATOM 123 CA GLY A 15 7.291 -4.973 -10.260 1.00 0.00 C ATOM 124 C GLY A 15 8.649 -5.416 -10.807 1.00 0.00 C ATOM 125 O GLY A 15 8.824 -6.575 -11.179 1.00 0.00 O ATOM 0 H GLY A 15 6.977 -2.903 -10.157 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.336 -4.911 -9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.535 -5.719 -10.506 1.00 0.00 H new ATOM 129 N ASN A 16 9.576 -4.470 -10.837 1.00 0.00 N ATOM 130 CA ASN A 16 10.914 -4.749 -11.332 1.00 0.00 C ATOM 131 C ASN A 16 11.640 -5.662 -10.342 1.00 0.00 C ATOM 132 O ASN A 16 11.858 -5.286 -9.191 1.00 0.00 O ATOM 133 CB ASN A 16 11.728 -3.462 -11.473 1.00 0.00 C ATOM 134 CG ASN A 16 12.843 -3.629 -12.508 1.00 0.00 C ATOM 135 OD1 ASN A 16 13.430 -4.688 -12.661 1.00 0.00 O ATOM 136 ND2 ASN A 16 13.102 -2.527 -13.207 1.00 0.00 N ATOM 0 H ASN A 16 9.427 -3.510 -10.527 1.00 0.00 H new ATOM 0 HA ASN A 16 10.820 -5.225 -12.308 1.00 0.00 H new ATOM 0 HB2 ASN A 16 11.072 -2.643 -11.769 1.00 0.00 H new ATOM 0 HB3 ASN A 16 12.159 -3.193 -10.509 1.00 0.00 H new ATOM 0 HD21 ASN A 16 13.830 -2.536 -13.922 1.00 0.00 H new ATOM 0 HD22 ASN A 16 12.573 -1.674 -13.028 1.00 0.00 H new ATOM 143 N PRO A 17 12.002 -6.875 -10.837 1.00 0.00 N ATOM 144 CA PRO A 17 12.699 -7.844 -10.009 1.00 0.00 C ATOM 145 C PRO A 17 14.164 -7.447 -9.815 1.00 0.00 C ATOM 146 O PRO A 17 14.892 -8.097 -9.066 1.00 0.00 O ATOM 147 CB PRO A 17 12.534 -9.171 -10.732 1.00 0.00 C ATOM 148 CG PRO A 17 12.156 -8.822 -12.162 1.00 0.00 C ATOM 149 CD PRO A 17 11.760 -7.355 -12.195 1.00 0.00 C ATOM 0 HA PRO A 17 12.293 -7.903 -8.999 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.457 -9.749 -10.702 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.762 -9.779 -10.261 1.00 0.00 H new ATOM 0 HG2 PRO A 17 12.994 -9.006 -12.834 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.331 -9.448 -12.502 1.00 0.00 H new ATOM 0 HD2 PRO A 17 12.353 -6.801 -12.922 1.00 0.00 H new ATOM 0 HD3 PRO A 17 10.714 -7.233 -12.478 1.00 0.00 H new ATOM 157 N VAL A 18 14.551 -6.383 -10.502 1.00 0.00 N ATOM 158 CA VAL A 18 15.916 -5.892 -10.414 1.00 0.00 C ATOM 159 C VAL A 18 16.268 -5.635 -8.948 1.00 0.00 C ATOM 160 O VAL A 18 17.297 -6.101 -8.462 1.00 0.00 O ATOM 161 CB VAL A 18 16.083 -4.652 -11.295 1.00 0.00 C ATOM 162 CG1 VAL A 18 15.139 -3.533 -10.852 1.00 0.00 C ATOM 163 CG2 VAL A 18 17.537 -4.175 -11.299 1.00 0.00 C ATOM 0 H VAL A 18 13.944 -5.847 -11.122 1.00 0.00 H new ATOM 0 HA VAL A 18 16.615 -6.639 -10.790 1.00 0.00 H new ATOM 0 HB VAL A 18 15.818 -4.928 -12.316 1.00 0.00 H new ATOM 0 HG11 VAL A 18 15.278 -2.664 -11.495 1.00 0.00 H new ATOM 0 HG12 VAL A 18 14.107 -3.877 -10.925 1.00 0.00 H new ATOM 0 HG13 VAL A 18 15.358 -3.260 -9.820 1.00 0.00 H new ATOM 0 HG21 VAL A 18 17.629 -3.293 -11.932 1.00 0.00 H new ATOM 0 HG22 VAL A 18 17.841 -3.925 -10.282 1.00 0.00 H new ATOM 0 HG23 VAL A 18 18.179 -4.967 -11.685 1.00 0.00 H new ATOM 173 N TYR A 19 15.393 -4.893 -8.284 1.00 0.00 N ATOM 174 CA TYR A 19 15.599 -4.569 -6.882 1.00 0.00 C ATOM 175 C TYR A 19 15.565 -5.830 -6.017 1.00 0.00 C ATOM 176 O TYR A 19 16.291 -5.929 -5.029 1.00 0.00 O ATOM 177 CB TYR A 19 14.433 -3.660 -6.485 1.00 0.00 C ATOM 178 CG TYR A 19 14.655 -2.183 -6.817 1.00 0.00 C ATOM 179 CD1 TYR A 19 15.671 -1.813 -7.674 1.00 0.00 C ATOM 180 CD2 TYR A 19 13.838 -1.221 -6.258 1.00 0.00 C ATOM 181 CE1 TYR A 19 15.879 -0.423 -7.986 1.00 0.00 C ATOM 182 CE2 TYR A 19 14.046 0.169 -6.570 1.00 0.00 C ATOM 183 CZ TYR A 19 15.057 0.500 -7.419 1.00 0.00 C ATOM 184 OH TYR A 19 15.254 1.813 -7.713 1.00 0.00 O ATOM 0 H TYR A 19 14.541 -4.507 -8.690 1.00 0.00 H new ATOM 0 HA TYR A 19 16.569 -4.094 -6.736 1.00 0.00 H new ATOM 0 HB2 TYR A 19 13.530 -4.003 -6.989 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.257 -3.759 -5.414 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.310 -2.566 -8.111 1.00 0.00 H new ATOM 0 HD2 TYR A 19 13.043 -1.511 -5.587 1.00 0.00 H new ATOM 0 HE1 TYR A 19 16.670 -0.120 -8.656 1.00 0.00 H new ATOM 0 HE2 TYR A 19 13.414 0.932 -6.140 1.00 0.00 H new ATOM 0 HH TYR A 19 14.592 2.358 -7.237 1.00 0.00 H new ATOM 194 N GLU A 20 14.714 -6.763 -6.419 1.00 0.00 N ATOM 195 CA GLU A 20 14.576 -8.013 -5.693 1.00 0.00 C ATOM 196 C GLU A 20 15.941 -8.682 -5.523 1.00 0.00 C ATOM 197 O GLU A 20 16.254 -9.201 -4.453 1.00 0.00 O ATOM 198 CB GLU A 20 13.590 -8.949 -6.394 1.00 0.00 C ATOM 199 CG GLU A 20 12.323 -9.138 -5.558 1.00 0.00 C ATOM 200 CD GLU A 20 12.336 -10.490 -4.841 1.00 0.00 C ATOM 201 OE1 GLU A 20 12.480 -11.535 -5.492 1.00 0.00 O ATOM 202 OE2 GLU A 20 12.190 -10.429 -3.561 1.00 0.00 O ATOM 0 H GLU A 20 14.113 -6.678 -7.239 1.00 0.00 H new ATOM 0 HA GLU A 20 14.176 -7.793 -4.703 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.328 -8.542 -7.370 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.062 -9.916 -6.568 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.243 -8.335 -4.826 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.445 -9.072 -6.201 1.00 0.00 H new ATOM 210 N LYS A 21 16.718 -8.649 -6.596 1.00 0.00 N ATOM 211 CA LYS A 21 18.043 -9.245 -6.580 1.00 0.00 C ATOM 212 C LYS A 21 18.808 -8.746 -5.352 1.00 0.00 C ATOM 213 O LYS A 21 19.393 -9.539 -4.616 1.00 0.00 O ATOM 214 CB LYS A 21 18.765 -8.983 -7.903 1.00 0.00 C ATOM 215 CG LYS A 21 19.949 -8.034 -7.703 1.00 0.00 C ATOM 216 CD LYS A 21 20.751 -7.878 -8.996 1.00 0.00 C ATOM 217 CE LYS A 21 22.170 -7.384 -8.705 1.00 0.00 C ATOM 218 NZ LYS A 21 23.119 -7.911 -9.710 1.00 0.00 N ATOM 0 H LYS A 21 16.455 -8.219 -7.482 1.00 0.00 H new ATOM 0 HA LYS A 21 17.971 -10.329 -6.492 1.00 0.00 H new ATOM 0 HB2 LYS A 21 19.117 -9.926 -8.322 1.00 0.00 H new ATOM 0 HB3 LYS A 21 18.068 -8.554 -8.623 1.00 0.00 H new ATOM 0 HG2 LYS A 21 19.587 -7.059 -7.376 1.00 0.00 H new ATOM 0 HG3 LYS A 21 20.596 -8.416 -6.913 1.00 0.00 H new ATOM 0 HD2 LYS A 21 20.795 -8.834 -9.519 1.00 0.00 H new ATOM 0 HD3 LYS A 21 20.246 -7.175 -9.659 1.00 0.00 H new ATOM 0 HE2 LYS A 21 22.191 -6.294 -8.713 1.00 0.00 H new ATOM 0 HE3 LYS A 21 22.474 -7.701 -7.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 24.077 -7.566 -9.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 23.111 -8.951 -9.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 22.837 -7.587 -10.657 1.00 0.00 H new ATOM 229 N TYR A 22 18.778 -7.434 -5.170 1.00 0.00 N ATOM 230 CA TYR A 22 19.461 -6.819 -4.044 1.00 0.00 C ATOM 231 C TYR A 22 18.770 -7.172 -2.725 1.00 0.00 C ATOM 232 O TYR A 22 19.423 -7.597 -1.773 1.00 0.00 O ATOM 233 CB TYR A 22 19.367 -5.309 -4.268 1.00 0.00 C ATOM 234 CG TYR A 22 20.043 -4.827 -5.553 1.00 0.00 C ATOM 235 CD1 TYR A 22 19.333 -4.796 -6.736 1.00 0.00 C ATOM 236 CD2 TYR A 22 21.362 -4.422 -5.529 1.00 0.00 C ATOM 237 CE1 TYR A 22 19.970 -4.343 -7.946 1.00 0.00 C ATOM 238 CE2 TYR A 22 21.998 -3.969 -6.738 1.00 0.00 C ATOM 239 CZ TYR A 22 21.271 -3.951 -7.887 1.00 0.00 C ATOM 240 OH TYR A 22 21.872 -3.523 -9.029 1.00 0.00 O ATOM 0 H TYR A 22 18.292 -6.780 -5.783 1.00 0.00 H new ATOM 0 HA TYR A 22 20.492 -7.169 -3.982 1.00 0.00 H new ATOM 0 HB2 TYR A 22 18.316 -5.020 -4.292 1.00 0.00 H new ATOM 0 HB3 TYR A 22 19.819 -4.797 -3.418 1.00 0.00 H new ATOM 0 HD1 TYR A 22 18.300 -5.111 -6.755 1.00 0.00 H new ATOM 0 HD2 TYR A 22 21.917 -4.445 -4.603 1.00 0.00 H new ATOM 0 HE1 TYR A 22 19.427 -4.315 -8.879 1.00 0.00 H new ATOM 0 HE2 TYR A 22 23.030 -3.650 -6.733 1.00 0.00 H new ATOM 0 HH TYR A 22 22.800 -3.274 -8.837 1.00 0.00 H new ATOM 250 N TYR A 23 17.459 -6.981 -2.711 1.00 0.00 N ATOM 251 CA TYR A 23 16.673 -7.274 -1.525 1.00 0.00 C ATOM 252 C TYR A 23 16.922 -8.704 -1.041 1.00 0.00 C ATOM 253 O TYR A 23 16.706 -9.013 0.130 1.00 0.00 O ATOM 254 CB TYR A 23 15.208 -7.138 -1.946 1.00 0.00 C ATOM 255 CG TYR A 23 14.231 -7.912 -1.058 1.00 0.00 C ATOM 256 CD1 TYR A 23 13.945 -9.233 -1.336 1.00 0.00 C ATOM 257 CD2 TYR A 23 13.637 -7.289 0.021 1.00 0.00 C ATOM 258 CE1 TYR A 23 13.025 -9.961 -0.500 1.00 0.00 C ATOM 259 CE2 TYR A 23 12.718 -8.017 0.857 1.00 0.00 C ATOM 260 CZ TYR A 23 12.457 -9.317 0.555 1.00 0.00 C ATOM 261 OH TYR A 23 11.589 -10.005 1.344 1.00 0.00 O ATOM 0 H TYR A 23 16.921 -6.627 -3.502 1.00 0.00 H new ATOM 0 HA TYR A 23 16.939 -6.599 -0.712 1.00 0.00 H new ATOM 0 HB2 TYR A 23 14.934 -6.083 -1.936 1.00 0.00 H new ATOM 0 HB3 TYR A 23 15.102 -7.485 -2.974 1.00 0.00 H new ATOM 0 HD1 TYR A 23 14.411 -9.721 -2.180 1.00 0.00 H new ATOM 0 HD2 TYR A 23 13.862 -6.255 0.238 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.791 -10.995 -0.706 1.00 0.00 H new ATOM 0 HE2 TYR A 23 12.247 -7.541 1.704 1.00 0.00 H new ATOM 0 HH TYR A 23 11.262 -9.420 2.059 1.00 0.00 H new ATOM 271 N ARG A 24 17.372 -9.538 -1.967 1.00 0.00 N ATOM 272 CA ARG A 24 17.652 -10.928 -1.649 1.00 0.00 C ATOM 273 C ARG A 24 19.083 -11.075 -1.127 1.00 0.00 C ATOM 274 O ARG A 24 19.386 -12.014 -0.393 1.00 0.00 O ATOM 275 CB ARG A 24 17.471 -11.821 -2.878 1.00 0.00 C ATOM 276 CG ARG A 24 17.657 -13.296 -2.516 1.00 0.00 C ATOM 277 CD ARG A 24 19.115 -13.724 -2.693 1.00 0.00 C ATOM 278 NE ARG A 24 19.219 -14.735 -3.770 1.00 0.00 N ATOM 279 CZ ARG A 24 20.362 -15.028 -4.425 1.00 0.00 C ATOM 280 NH1 ARG A 24 21.511 -14.389 -4.119 1.00 0.00 N ATOM 281 NH2 ARG A 24 20.339 -15.950 -5.370 1.00 0.00 N ATOM 0 H ARG A 24 17.550 -9.278 -2.937 1.00 0.00 H new ATOM 0 HA ARG A 24 16.947 -11.241 -0.879 1.00 0.00 H new ATOM 0 HB2 ARG A 24 16.477 -11.669 -3.299 1.00 0.00 H new ATOM 0 HB3 ARG A 24 18.190 -11.538 -3.647 1.00 0.00 H new ATOM 0 HG2 ARG A 24 17.348 -13.463 -1.484 1.00 0.00 H new ATOM 0 HG3 ARG A 24 17.014 -13.912 -3.145 1.00 0.00 H new ATOM 0 HD2 ARG A 24 19.730 -12.857 -2.936 1.00 0.00 H new ATOM 0 HD3 ARG A 24 19.498 -14.135 -1.759 1.00 0.00 H new ATOM 0 HE ARG A 24 18.374 -15.242 -4.033 1.00 0.00 H new ATOM 0 HH11 ARG A 24 21.520 -13.678 -3.387 1.00 0.00 H new ATOM 0 HH12 ARG A 24 22.370 -14.617 -4.619 1.00 0.00 H new ATOM 0 HH21 ARG A 24 19.467 -16.428 -5.595 1.00 0.00 H new ATOM 0 HH22 ARG A 24 21.194 -16.184 -5.875 1.00 0.00 H new ATOM 294 N GLN A 25 19.924 -10.132 -1.525 1.00 0.00 N ATOM 295 CA GLN A 25 21.315 -10.144 -1.106 1.00 0.00 C ATOM 296 C GLN A 25 21.412 -10.020 0.416 1.00 0.00 C ATOM 297 O GLN A 25 22.253 -10.664 1.042 1.00 0.00 O ATOM 298 CB GLN A 25 22.106 -9.033 -1.798 1.00 0.00 C ATOM 299 CG GLN A 25 22.369 -9.379 -3.265 1.00 0.00 C ATOM 300 CD GLN A 25 23.360 -8.395 -3.891 1.00 0.00 C ATOM 301 OE1 GLN A 25 23.095 -7.767 -4.903 1.00 0.00 O ATOM 302 NE2 GLN A 25 24.513 -8.297 -3.235 1.00 0.00 N ATOM 0 H GLN A 25 19.669 -9.354 -2.134 1.00 0.00 H new ATOM 0 HA GLN A 25 21.755 -11.096 -1.402 1.00 0.00 H new ATOM 0 HB2 GLN A 25 21.554 -8.095 -1.735 1.00 0.00 H new ATOM 0 HB3 GLN A 25 23.053 -8.880 -1.281 1.00 0.00 H new ATOM 0 HG2 GLN A 25 22.762 -10.393 -3.338 1.00 0.00 H new ATOM 0 HG3 GLN A 25 21.432 -9.360 -3.821 1.00 0.00 H new ATOM 0 HE21 GLN A 25 24.670 -8.852 -2.394 1.00 0.00 H new ATOM 0 HE22 GLN A 25 25.240 -7.667 -3.573 1.00 0.00 H new ATOM 311 N VAL A 26 20.540 -9.189 0.967 1.00 0.00 N ATOM 312 CA VAL A 26 20.518 -8.973 2.404 1.00 0.00 C ATOM 313 C VAL A 26 19.924 -10.204 3.091 1.00 0.00 C ATOM 314 O VAL A 26 20.440 -10.660 4.110 1.00 0.00 O ATOM 315 CB VAL A 26 19.759 -7.683 2.727 1.00 0.00 C ATOM 316 CG1 VAL A 26 19.950 -6.644 1.621 1.00 0.00 C ATOM 317 CG2 VAL A 26 18.275 -7.966 2.965 1.00 0.00 C ATOM 0 H VAL A 26 19.844 -8.657 0.445 1.00 0.00 H new ATOM 0 HA VAL A 26 21.530 -8.844 2.787 1.00 0.00 H new ATOM 0 HB VAL A 26 20.173 -7.271 3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 26 19.401 -5.737 1.875 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.010 -6.410 1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 26 19.576 -7.043 0.678 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.759 -7.033 3.192 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.841 -8.412 2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 26 18.166 -8.655 3.803 1.00 0.00 H new ATOM 327 N GLU A 27 18.846 -10.706 2.506 1.00 0.00 N ATOM 328 CA GLU A 27 18.177 -11.876 3.050 1.00 0.00 C ATOM 329 C GLU A 27 19.205 -12.883 3.569 1.00 0.00 C ATOM 330 O GLU A 27 20.267 -13.054 2.973 1.00 0.00 O ATOM 331 CB GLU A 27 17.260 -12.517 2.006 1.00 0.00 C ATOM 332 CG GLU A 27 16.569 -13.759 2.572 1.00 0.00 C ATOM 333 CD GLU A 27 17.041 -15.025 1.853 1.00 0.00 C ATOM 334 OE1 GLU A 27 17.596 -14.939 0.748 1.00 0.00 O ATOM 335 OE2 GLU A 27 16.815 -16.127 2.484 1.00 0.00 O ATOM 0 H GLU A 27 18.420 -10.324 1.662 1.00 0.00 H new ATOM 0 HA GLU A 27 17.555 -11.558 3.887 1.00 0.00 H new ATOM 0 HB2 GLU A 27 16.510 -11.795 1.683 1.00 0.00 H new ATOM 0 HB3 GLU A 27 17.841 -12.789 1.125 1.00 0.00 H new ATOM 0 HG2 GLU A 27 16.779 -13.842 3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.489 -13.658 2.467 1.00 0.00 H new ATOM 343 N ALA A 28 18.853 -13.524 4.674 1.00 0.00 N ATOM 344 CA ALA A 28 19.732 -14.510 5.279 1.00 0.00 C ATOM 345 C ALA A 28 19.152 -15.908 5.057 1.00 0.00 C ATOM 346 O ALA A 28 17.942 -16.106 5.157 1.00 0.00 O ATOM 347 CB ALA A 28 19.918 -14.185 6.763 1.00 0.00 C ATOM 0 H ALA A 28 17.971 -13.380 5.166 1.00 0.00 H new ATOM 0 HA ALA A 28 20.717 -14.484 4.813 1.00 0.00 H new ATOM 0 HB1 ALA A 28 20.577 -14.924 7.218 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.359 -13.194 6.866 1.00 0.00 H new ATOM 0 HB3 ALA A 28 18.950 -14.205 7.264 1.00 0.00 H new ATOM 353 N GLY A 29 20.043 -16.843 4.760 1.00 0.00 N ATOM 354 CA GLY A 29 19.636 -18.217 4.523 1.00 0.00 C ATOM 355 C GLY A 29 18.919 -18.352 3.178 1.00 0.00 C ATOM 356 O GLY A 29 18.935 -17.428 2.367 1.00 0.00 O ATOM 0 H GLY A 29 21.046 -16.675 4.678 1.00 0.00 H new ATOM 0 HA2 GLY A 29 20.511 -18.867 4.540 1.00 0.00 H new ATOM 0 HA3 GLY A 29 18.977 -18.548 5.325 1.00 0.00 H new ATOM 360 N ASN A 30 18.307 -19.511 2.984 1.00 0.00 N ATOM 361 CA ASN A 30 17.585 -19.779 1.751 1.00 0.00 C ATOM 362 C ASN A 30 16.094 -19.923 2.060 1.00 0.00 C ATOM 363 O ASN A 30 15.436 -20.830 1.551 1.00 0.00 O ATOM 364 CB ASN A 30 18.063 -21.081 1.106 1.00 0.00 C ATOM 365 CG ASN A 30 18.012 -20.987 -0.421 1.00 0.00 C ATOM 366 OD1 ASN A 30 16.970 -20.782 -1.021 1.00 0.00 O ATOM 367 ND2 ASN A 30 19.192 -21.148 -1.012 1.00 0.00 N ATOM 0 H ASN A 30 18.296 -20.275 3.660 1.00 0.00 H new ATOM 0 HA ASN A 30 17.765 -18.950 1.066 1.00 0.00 H new ATOM 0 HB2 ASN A 30 19.082 -21.297 1.427 1.00 0.00 H new ATOM 0 HB3 ASN A 30 17.440 -21.909 1.444 1.00 0.00 H new ATOM 0 HD21 ASN A 30 19.264 -21.103 -2.028 1.00 0.00 H new ATOM 0 HD22 ASN A 30 20.026 -21.317 -0.449 1.00 0.00 H new ATOM 374 N THR A 31 15.603 -19.016 2.891 1.00 0.00 N ATOM 375 CA THR A 31 14.202 -19.031 3.273 1.00 0.00 C ATOM 376 C THR A 31 13.408 -18.034 2.427 1.00 0.00 C ATOM 377 O THR A 31 12.286 -18.321 2.013 1.00 0.00 O ATOM 378 CB THR A 31 14.118 -18.755 4.776 1.00 0.00 C ATOM 379 OG1 THR A 31 12.780 -18.305 4.973 1.00 0.00 O ATOM 380 CG2 THR A 31 14.978 -17.564 5.201 1.00 0.00 C ATOM 0 H THR A 31 16.151 -18.265 3.311 1.00 0.00 H new ATOM 0 HA THR A 31 13.750 -20.004 3.081 1.00 0.00 H new ATOM 0 HB THR A 31 14.430 -19.643 5.326 1.00 0.00 H new ATOM 0 HG1 THR A 31 12.480 -18.553 5.872 1.00 0.00 H new ATOM 0 HG21 THR A 31 14.882 -17.411 6.276 1.00 0.00 H new ATOM 0 HG22 THR A 31 16.021 -17.762 4.954 1.00 0.00 H new ATOM 0 HG23 THR A 31 14.644 -16.669 4.676 1.00 0.00 H new ATOM 388 N GLY A 32 14.021 -16.882 2.197 1.00 0.00 N ATOM 389 CA GLY A 32 13.386 -15.840 1.408 1.00 0.00 C ATOM 390 C GLY A 32 13.048 -14.625 2.274 1.00 0.00 C ATOM 391 O GLY A 32 12.805 -13.537 1.755 1.00 0.00 O ATOM 0 H GLY A 32 14.951 -16.647 2.543 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.048 -15.539 0.596 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.476 -16.229 0.950 1.00 0.00 H new ATOM 395 N ARG A 33 13.044 -14.852 3.580 1.00 0.00 N ATOM 396 CA ARG A 33 12.741 -13.789 4.523 1.00 0.00 C ATOM 397 C ARG A 33 14.005 -12.989 4.846 1.00 0.00 C ATOM 398 O ARG A 33 15.082 -13.562 5.006 1.00 0.00 O ATOM 399 CB ARG A 33 12.158 -14.354 5.820 1.00 0.00 C ATOM 400 CG ARG A 33 13.096 -15.393 6.436 1.00 0.00 C ATOM 401 CD ARG A 33 12.914 -15.464 7.954 1.00 0.00 C ATOM 402 NE ARG A 33 14.234 -15.442 8.623 1.00 0.00 N ATOM 403 CZ ARG A 33 14.440 -15.820 9.903 1.00 0.00 C ATOM 404 NH1 ARG A 33 13.412 -16.252 10.664 1.00 0.00 N ATOM 405 NH2 ARG A 33 15.661 -15.759 10.399 1.00 0.00 N ATOM 0 H ARG A 33 13.246 -15.756 4.007 1.00 0.00 H new ATOM 0 HA ARG A 33 12.002 -13.135 4.060 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.990 -13.544 6.530 1.00 0.00 H new ATOM 0 HB3 ARG A 33 11.188 -14.809 5.619 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.900 -16.371 5.996 1.00 0.00 H new ATOM 0 HG3 ARG A 33 14.130 -15.139 6.201 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.310 -14.624 8.296 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.376 -16.373 8.222 1.00 0.00 H new ATOM 0 HE ARG A 33 15.038 -15.121 8.084 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.471 -16.295 10.273 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.576 -16.536 11.630 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.432 -15.430 9.818 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.834 -16.041 11.364 1.00 0.00 H new ATOM 418 N VAL A 34 13.831 -11.679 4.932 1.00 0.00 N ATOM 419 CA VAL A 34 14.944 -10.795 5.233 1.00 0.00 C ATOM 420 C VAL A 34 15.058 -10.623 6.749 1.00 0.00 C ATOM 421 O VAL A 34 14.198 -10.003 7.374 1.00 0.00 O ATOM 422 CB VAL A 34 14.773 -9.467 4.492 1.00 0.00 C ATOM 423 CG1 VAL A 34 15.817 -8.446 4.949 1.00 0.00 C ATOM 424 CG2 VAL A 34 14.834 -9.673 2.978 1.00 0.00 C ATOM 0 H VAL A 34 12.936 -11.208 4.799 1.00 0.00 H new ATOM 0 HA VAL A 34 15.881 -11.229 4.884 1.00 0.00 H new ATOM 0 HB VAL A 34 13.788 -9.071 4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.673 -7.511 4.407 1.00 0.00 H new ATOM 0 HG12 VAL A 34 15.706 -8.266 6.018 1.00 0.00 H new ATOM 0 HG13 VAL A 34 16.816 -8.832 4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 34 14.710 -8.714 2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 34 15.799 -10.102 2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.037 -10.350 2.670 1.00 0.00 H new ATOM 434 N LEU A 35 16.126 -11.182 7.298 1.00 0.00 N ATOM 435 CA LEU A 35 16.364 -11.099 8.729 1.00 0.00 C ATOM 436 C LEU A 35 16.357 -9.630 9.158 1.00 0.00 C ATOM 437 O LEU A 35 16.333 -9.328 10.350 1.00 0.00 O ATOM 438 CB LEU A 35 17.647 -11.843 9.104 1.00 0.00 C ATOM 439 CG LEU A 35 17.469 -13.096 9.963 1.00 0.00 C ATOM 440 CD1 LEU A 35 18.774 -13.889 10.054 1.00 0.00 C ATOM 441 CD2 LEU A 35 16.918 -12.739 11.345 1.00 0.00 C ATOM 0 H LEU A 35 16.837 -11.695 6.777 1.00 0.00 H new ATOM 0 HA LEU A 35 15.564 -11.596 9.277 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.161 -12.126 8.185 1.00 0.00 H new ATOM 0 HB3 LEU A 35 18.302 -11.152 9.635 1.00 0.00 H new ATOM 0 HG LEU A 35 16.734 -13.740 9.479 1.00 0.00 H new ATOM 0 HD11 LEU A 35 18.619 -14.775 10.670 1.00 0.00 H new ATOM 0 HD12 LEU A 35 19.086 -14.192 9.055 1.00 0.00 H new ATOM 0 HD13 LEU A 35 19.548 -13.266 10.502 1.00 0.00 H new ATOM 0 HD21 LEU A 35 16.801 -13.647 11.936 1.00 0.00 H new ATOM 0 HD22 LEU A 35 17.610 -12.065 11.850 1.00 0.00 H new ATOM 0 HD23 LEU A 35 15.950 -12.250 11.236 1.00 0.00 H new ATOM 453 N ALA A 36 16.378 -8.756 8.162 1.00 0.00 N ATOM 454 CA ALA A 36 16.375 -7.327 8.422 1.00 0.00 C ATOM 455 C ALA A 36 17.794 -6.873 8.772 1.00 0.00 C ATOM 456 O ALA A 36 18.327 -5.956 8.150 1.00 0.00 O ATOM 457 CB ALA A 36 15.371 -7.011 9.533 1.00 0.00 C ATOM 0 H ALA A 36 16.397 -9.010 7.174 1.00 0.00 H new ATOM 0 HA ALA A 36 16.062 -6.777 7.534 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.369 -5.939 9.728 1.00 0.00 H new ATOM 0 HB2 ALA A 36 14.374 -7.325 9.223 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.653 -7.544 10.441 1.00 0.00 H new ATOM 463 N LEU A 37 18.364 -7.536 9.767 1.00 0.00 N ATOM 464 CA LEU A 37 19.711 -7.213 10.207 1.00 0.00 C ATOM 465 C LEU A 37 20.592 -6.945 8.985 1.00 0.00 C ATOM 466 O LEU A 37 21.242 -5.905 8.900 1.00 0.00 O ATOM 467 CB LEU A 37 20.251 -8.309 11.127 1.00 0.00 C ATOM 468 CG LEU A 37 20.147 -8.036 12.629 1.00 0.00 C ATOM 469 CD1 LEU A 37 18.865 -8.638 13.207 1.00 0.00 C ATOM 470 CD2 LEU A 37 21.394 -8.530 13.364 1.00 0.00 C ATOM 0 H LEU A 37 17.918 -8.296 10.281 1.00 0.00 H new ATOM 0 HA LEU A 37 19.709 -6.301 10.804 1.00 0.00 H new ATOM 0 HB2 LEU A 37 19.718 -9.234 10.908 1.00 0.00 H new ATOM 0 HB3 LEU A 37 21.299 -8.479 10.881 1.00 0.00 H new ATOM 0 HG LEU A 37 20.093 -6.958 12.777 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.815 -8.430 14.276 1.00 0.00 H new ATOM 0 HD12 LEU A 37 18.000 -8.197 12.711 1.00 0.00 H new ATOM 0 HD13 LEU A 37 18.865 -9.716 13.047 1.00 0.00 H new ATOM 0 HD21 LEU A 37 21.294 -8.324 14.430 1.00 0.00 H new ATOM 0 HD22 LEU A 37 21.505 -9.604 13.211 1.00 0.00 H new ATOM 0 HD23 LEU A 37 22.273 -8.015 12.976 1.00 0.00 H new ATOM 482 N ASP A 38 20.585 -7.903 8.069 1.00 0.00 N ATOM 483 CA ASP A 38 21.375 -7.784 6.856 1.00 0.00 C ATOM 484 C ASP A 38 20.936 -6.537 6.087 1.00 0.00 C ATOM 485 O ASP A 38 21.770 -5.809 5.549 1.00 0.00 O ATOM 486 CB ASP A 38 21.173 -8.997 5.945 1.00 0.00 C ATOM 487 CG ASP A 38 22.305 -10.025 5.976 1.00 0.00 C ATOM 488 OD1 ASP A 38 23.423 -9.758 5.511 1.00 0.00 O ATOM 489 OD2 ASP A 38 21.999 -11.157 6.514 1.00 0.00 O ATOM 0 H ASP A 38 20.044 -8.765 8.143 1.00 0.00 H new ATOM 0 HA ASP A 38 22.425 -7.719 7.143 1.00 0.00 H new ATOM 0 HB2 ASP A 38 20.244 -9.493 6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 38 21.049 -8.646 4.920 1.00 0.00 H new ATOM 495 N ALA A 39 19.628 -6.328 6.058 1.00 0.00 N ATOM 496 CA ALA A 39 19.068 -5.181 5.364 1.00 0.00 C ATOM 497 C ALA A 39 19.866 -3.928 5.731 1.00 0.00 C ATOM 498 O ALA A 39 20.373 -3.231 4.854 1.00 0.00 O ATOM 499 CB ALA A 39 17.584 -5.049 5.710 1.00 0.00 C ATOM 0 H ALA A 39 18.940 -6.934 6.504 1.00 0.00 H new ATOM 0 HA ALA A 39 19.140 -5.313 4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 39 17.164 -4.188 5.189 1.00 0.00 H new ATOM 0 HB2 ALA A 39 17.057 -5.952 5.402 1.00 0.00 H new ATOM 0 HB3 ALA A 39 17.472 -4.912 6.786 1.00 0.00 H new ATOM 505 N ALA A 40 19.953 -3.680 7.030 1.00 0.00 N ATOM 506 CA ALA A 40 20.680 -2.524 7.524 1.00 0.00 C ATOM 507 C ALA A 40 22.109 -2.553 6.976 1.00 0.00 C ATOM 508 O ALA A 40 22.725 -1.506 6.785 1.00 0.00 O ATOM 509 CB ALA A 40 20.643 -2.513 9.054 1.00 0.00 C ATOM 0 H ALA A 40 19.532 -4.261 7.755 1.00 0.00 H new ATOM 0 HA ALA A 40 20.213 -1.601 7.180 1.00 0.00 H new ATOM 0 HB1 ALA A 40 21.189 -1.645 9.425 1.00 0.00 H new ATOM 0 HB2 ALA A 40 19.608 -2.463 9.393 1.00 0.00 H new ATOM 0 HB3 ALA A 40 21.106 -3.423 9.436 1.00 0.00 H new ATOM 515 N ALA A 41 22.593 -3.763 6.738 1.00 0.00 N ATOM 516 CA ALA A 41 23.937 -3.942 6.215 1.00 0.00 C ATOM 517 C ALA A 41 23.997 -3.409 4.782 1.00 0.00 C ATOM 518 O ALA A 41 24.859 -2.595 4.455 1.00 0.00 O ATOM 519 CB ALA A 41 24.327 -5.418 6.306 1.00 0.00 C ATOM 0 H ALA A 41 22.079 -4.629 6.898 1.00 0.00 H new ATOM 0 HA ALA A 41 24.658 -3.378 6.806 1.00 0.00 H new ATOM 0 HB1 ALA A 41 25.335 -5.553 5.914 1.00 0.00 H new ATOM 0 HB2 ALA A 41 24.297 -5.739 7.347 1.00 0.00 H new ATOM 0 HB3 ALA A 41 23.627 -6.016 5.722 1.00 0.00 H new ATOM 525 N PHE A 42 23.071 -3.890 3.967 1.00 0.00 N ATOM 526 CA PHE A 42 23.008 -3.473 2.576 1.00 0.00 C ATOM 527 C PHE A 42 22.733 -1.971 2.467 1.00 0.00 C ATOM 528 O PHE A 42 23.200 -1.318 1.535 1.00 0.00 O ATOM 529 CB PHE A 42 21.851 -4.239 1.931 1.00 0.00 C ATOM 530 CG PHE A 42 21.618 -3.891 0.460 1.00 0.00 C ATOM 531 CD1 PHE A 42 20.907 -2.780 0.128 1.00 0.00 C ATOM 532 CD2 PHE A 42 22.123 -4.692 -0.517 1.00 0.00 C ATOM 533 CE1 PHE A 42 20.691 -2.457 -1.238 1.00 0.00 C ATOM 534 CE2 PHE A 42 21.907 -4.368 -1.883 1.00 0.00 C ATOM 535 CZ PHE A 42 21.195 -3.258 -2.214 1.00 0.00 C ATOM 0 H PHE A 42 22.358 -4.565 4.243 1.00 0.00 H new ATOM 0 HA PHE A 42 23.958 -3.679 2.082 1.00 0.00 H new ATOM 0 HB2 PHE A 42 22.045 -5.308 2.014 1.00 0.00 H new ATOM 0 HB3 PHE A 42 20.938 -4.036 2.491 1.00 0.00 H new ATOM 0 HD1 PHE A 42 20.507 -2.143 0.903 1.00 0.00 H new ATOM 0 HD2 PHE A 42 22.688 -5.574 -0.254 1.00 0.00 H new ATOM 0 HE1 PHE A 42 20.126 -1.575 -1.501 1.00 0.00 H new ATOM 0 HE2 PHE A 42 22.308 -5.003 -2.659 1.00 0.00 H new ATOM 0 HZ PHE A 42 21.030 -3.013 -3.253 1.00 0.00 H new ATOM 545 N LEU A 43 21.977 -1.468 3.431 1.00 0.00 N ATOM 546 CA LEU A 43 21.635 -0.056 3.455 1.00 0.00 C ATOM 547 C LEU A 43 22.880 0.760 3.808 1.00 0.00 C ATOM 548 O LEU A 43 23.181 1.755 3.150 1.00 0.00 O ATOM 549 CB LEU A 43 20.451 0.192 4.391 1.00 0.00 C ATOM 550 CG LEU A 43 19.092 -0.312 3.903 1.00 0.00 C ATOM 551 CD1 LEU A 43 18.061 -0.292 5.033 1.00 0.00 C ATOM 552 CD2 LEU A 43 18.620 0.480 2.682 1.00 0.00 C ATOM 0 H LEU A 43 21.591 -2.013 4.202 1.00 0.00 H new ATOM 0 HA LEU A 43 21.307 0.274 2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 43 20.667 -0.278 5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 43 20.375 1.264 4.572 1.00 0.00 H new ATOM 0 HG LEU A 43 19.205 -1.350 3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 43 17.104 -0.655 4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 43 18.400 -0.934 5.846 1.00 0.00 H new ATOM 0 HD13 LEU A 43 17.944 0.727 5.400 1.00 0.00 H new ATOM 0 HD21 LEU A 43 17.651 0.102 2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 43 18.528 1.534 2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 43 19.344 0.370 1.875 1.00 0.00 H new ATOM 564 N LYS A 44 23.570 0.309 4.845 1.00 0.00 N ATOM 565 CA LYS A 44 24.776 0.985 5.293 1.00 0.00 C ATOM 566 C LYS A 44 25.715 1.185 4.102 1.00 0.00 C ATOM 567 O LYS A 44 26.591 2.048 4.136 1.00 0.00 O ATOM 568 CB LYS A 44 25.414 0.226 6.458 1.00 0.00 C ATOM 569 CG LYS A 44 24.740 0.590 7.783 1.00 0.00 C ATOM 570 CD LYS A 44 25.763 1.116 8.792 1.00 0.00 C ATOM 571 CE LYS A 44 25.682 0.344 10.110 1.00 0.00 C ATOM 572 NZ LYS A 44 26.450 -0.919 10.019 1.00 0.00 N ATOM 0 H LYS A 44 23.317 -0.516 5.388 1.00 0.00 H new ATOM 0 HA LYS A 44 24.536 1.975 5.681 1.00 0.00 H new ATOM 0 HB2 LYS A 44 25.331 -0.847 6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 44 26.477 0.460 6.510 1.00 0.00 H new ATOM 0 HG2 LYS A 44 23.973 1.345 7.610 1.00 0.00 H new ATOM 0 HG3 LYS A 44 24.237 -0.286 8.192 1.00 0.00 H new ATOM 0 HD2 LYS A 44 26.767 1.028 8.376 1.00 0.00 H new ATOM 0 HD3 LYS A 44 25.586 2.176 8.976 1.00 0.00 H new ATOM 0 HE2 LYS A 44 26.073 0.957 10.922 1.00 0.00 H new ATOM 0 HE3 LYS A 44 24.641 0.127 10.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 26.385 -1.431 10.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 26.059 -1.509 9.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 27.447 -0.705 9.814 1.00 0.00 H new ATOM 583 N LYS A 45 25.501 0.374 3.077 1.00 0.00 N ATOM 584 CA LYS A 45 26.318 0.451 1.877 1.00 0.00 C ATOM 585 C LYS A 45 25.828 1.609 1.006 1.00 0.00 C ATOM 586 O LYS A 45 26.230 1.735 -0.150 1.00 0.00 O ATOM 587 CB LYS A 45 26.337 -0.897 1.154 1.00 0.00 C ATOM 588 CG LYS A 45 26.556 -2.045 2.141 1.00 0.00 C ATOM 589 CD LYS A 45 27.797 -2.859 1.770 1.00 0.00 C ATOM 590 CE LYS A 45 27.418 -4.088 0.940 1.00 0.00 C ATOM 591 NZ LYS A 45 28.633 -4.798 0.481 1.00 0.00 N ATOM 0 H LYS A 45 24.773 -0.340 3.052 1.00 0.00 H new ATOM 0 HA LYS A 45 27.356 0.662 2.135 1.00 0.00 H new ATOM 0 HB2 LYS A 45 25.396 -1.043 0.624 1.00 0.00 H new ATOM 0 HB3 LYS A 45 27.129 -0.901 0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 45 26.667 -1.646 3.149 1.00 0.00 H new ATOM 0 HG3 LYS A 45 25.680 -2.694 2.149 1.00 0.00 H new ATOM 0 HD2 LYS A 45 28.491 -2.235 1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 45 28.315 -3.173 2.676 1.00 0.00 H new ATOM 0 HE2 LYS A 45 26.800 -4.760 1.536 1.00 0.00 H new ATOM 0 HE3 LYS A 45 26.821 -3.784 0.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 28.358 -5.629 -0.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 29.208 -4.159 -0.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 29.188 -5.105 1.305 1.00 0.00 H new ATOM 602 N SER A 46 24.966 2.426 1.593 1.00 0.00 N ATOM 603 CA SER A 46 24.417 3.570 0.885 1.00 0.00 C ATOM 604 C SER A 46 25.357 4.769 1.019 1.00 0.00 C ATOM 605 O SER A 46 25.860 5.283 0.020 1.00 0.00 O ATOM 606 CB SER A 46 23.024 3.926 1.409 1.00 0.00 C ATOM 607 OG SER A 46 23.079 4.540 2.694 1.00 0.00 O ATOM 0 H SER A 46 24.634 2.318 2.551 1.00 0.00 H new ATOM 0 HA SER A 46 24.323 3.307 -0.168 1.00 0.00 H new ATOM 0 HB2 SER A 46 22.533 4.599 0.706 1.00 0.00 H new ATOM 0 HB3 SER A 46 22.415 3.023 1.464 1.00 0.00 H new ATOM 0 HG SER A 46 23.119 3.847 3.386 1.00 0.00 H new ATOM 613 N GLY A 47 25.566 5.181 2.260 1.00 0.00 N ATOM 614 CA GLY A 47 26.437 6.311 2.538 1.00 0.00 C ATOM 615 C GLY A 47 25.966 7.076 3.776 1.00 0.00 C ATOM 616 O GLY A 47 26.782 7.538 4.572 1.00 0.00 O ATOM 0 H GLY A 47 25.147 4.753 3.085 1.00 0.00 H new ATOM 0 HA2 GLY A 47 27.457 5.959 2.690 1.00 0.00 H new ATOM 0 HA3 GLY A 47 26.456 6.980 1.678 1.00 0.00 H new ATOM 620 N LEU A 48 24.651 7.186 3.899 1.00 0.00 N ATOM 621 CA LEU A 48 24.062 7.887 5.027 1.00 0.00 C ATOM 622 C LEU A 48 24.432 7.162 6.323 1.00 0.00 C ATOM 623 O LEU A 48 24.867 6.012 6.292 1.00 0.00 O ATOM 624 CB LEU A 48 22.555 8.054 4.825 1.00 0.00 C ATOM 625 CG LEU A 48 22.114 9.317 4.082 1.00 0.00 C ATOM 626 CD1 LEU A 48 22.300 9.157 2.572 1.00 0.00 C ATOM 627 CD2 LEU A 48 20.676 9.694 4.446 1.00 0.00 C ATOM 0 H LEU A 48 23.977 6.802 3.236 1.00 0.00 H new ATOM 0 HA LEU A 48 24.465 8.897 5.101 1.00 0.00 H new ATOM 0 HB2 LEU A 48 22.183 7.187 4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 48 22.074 8.045 5.803 1.00 0.00 H new ATOM 0 HG LEU A 48 22.753 10.141 4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 48 21.979 10.068 2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 48 23.351 8.972 2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 48 21.702 8.317 2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 48 20.388 10.595 3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 48 20.006 8.878 4.175 1.00 0.00 H new ATOM 0 HD23 LEU A 48 20.608 9.878 5.518 1.00 0.00 H new ATOM 639 N PRO A 49 24.241 7.883 7.460 1.00 0.00 N ATOM 640 CA PRO A 49 24.549 7.321 8.764 1.00 0.00 C ATOM 641 C PRO A 49 23.487 6.305 9.188 1.00 0.00 C ATOM 642 O PRO A 49 22.660 5.890 8.377 1.00 0.00 O ATOM 643 CB PRO A 49 24.634 8.517 9.698 1.00 0.00 C ATOM 644 CG PRO A 49 23.916 9.653 8.987 1.00 0.00 C ATOM 645 CD PRO A 49 23.727 9.248 7.534 1.00 0.00 C ATOM 0 HA PRO A 49 25.484 6.761 8.770 1.00 0.00 H new ATOM 0 HB2 PRO A 49 24.165 8.298 10.657 1.00 0.00 H new ATOM 0 HB3 PRO A 49 25.672 8.779 9.904 1.00 0.00 H new ATOM 0 HG2 PRO A 49 22.952 9.849 9.457 1.00 0.00 H new ATOM 0 HG3 PRO A 49 24.497 10.573 9.054 1.00 0.00 H new ATOM 0 HD2 PRO A 49 22.677 9.292 7.244 1.00 0.00 H new ATOM 0 HD3 PRO A 49 24.271 9.913 6.863 1.00 0.00 H new ATOM 653 N ASP A 50 23.543 5.933 10.459 1.00 0.00 N ATOM 654 CA ASP A 50 22.596 4.974 11.001 1.00 0.00 C ATOM 655 C ASP A 50 21.479 5.723 11.730 1.00 0.00 C ATOM 656 O ASP A 50 20.354 5.233 11.819 1.00 0.00 O ATOM 657 CB ASP A 50 23.273 4.039 12.005 1.00 0.00 C ATOM 658 CG ASP A 50 22.498 2.758 12.320 1.00 0.00 C ATOM 659 OD1 ASP A 50 22.988 1.643 12.089 1.00 0.00 O ATOM 660 OD2 ASP A 50 21.328 2.940 12.831 1.00 0.00 O ATOM 0 H ASP A 50 24.230 6.279 11.129 1.00 0.00 H new ATOM 0 HA ASP A 50 22.199 4.387 10.173 1.00 0.00 H new ATOM 0 HB2 ASP A 50 24.255 3.766 11.619 1.00 0.00 H new ATOM 0 HB3 ASP A 50 23.436 4.585 12.934 1.00 0.00 H new ATOM 666 N LEU A 51 21.828 6.898 12.232 1.00 0.00 N ATOM 667 CA LEU A 51 20.868 7.719 12.951 1.00 0.00 C ATOM 668 C LEU A 51 19.696 8.053 12.026 1.00 0.00 C ATOM 669 O LEU A 51 18.567 7.629 12.271 1.00 0.00 O ATOM 670 CB LEU A 51 21.555 8.952 13.542 1.00 0.00 C ATOM 671 CG LEU A 51 20.784 10.269 13.427 1.00 0.00 C ATOM 672 CD1 LEU A 51 19.414 10.163 14.099 1.00 0.00 C ATOM 673 CD2 LEU A 51 21.605 11.435 13.981 1.00 0.00 C ATOM 0 H LEU A 51 22.762 7.301 12.155 1.00 0.00 H new ATOM 0 HA LEU A 51 20.459 7.172 13.800 1.00 0.00 H new ATOM 0 HB2 LEU A 51 21.755 8.762 14.597 1.00 0.00 H new ATOM 0 HB3 LEU A 51 22.521 9.075 13.052 1.00 0.00 H new ATOM 0 HG LEU A 51 20.609 10.471 12.370 1.00 0.00 H new ATOM 0 HD11 LEU A 51 18.887 11.112 14.003 1.00 0.00 H new ATOM 0 HD12 LEU A 51 18.833 9.375 13.619 1.00 0.00 H new ATOM 0 HD13 LEU A 51 19.544 9.926 15.155 1.00 0.00 H new ATOM 0 HD21 LEU A 51 21.034 12.359 13.887 1.00 0.00 H new ATOM 0 HD22 LEU A 51 21.832 11.254 15.032 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.535 11.524 13.419 1.00 0.00 H new ATOM 685 N ILE A 52 20.003 8.809 10.983 1.00 0.00 N ATOM 686 CA ILE A 52 18.988 9.204 10.020 1.00 0.00 C ATOM 687 C ILE A 52 18.293 7.955 9.477 1.00 0.00 C ATOM 688 O ILE A 52 17.091 7.973 9.214 1.00 0.00 O ATOM 689 CB ILE A 52 19.598 10.091 8.933 1.00 0.00 C ATOM 690 CG1 ILE A 52 20.125 11.400 9.524 1.00 0.00 C ATOM 691 CG2 ILE A 52 18.598 10.335 7.801 1.00 0.00 C ATOM 692 CD1 ILE A 52 19.025 12.463 9.572 1.00 0.00 C ATOM 0 H ILE A 52 20.940 9.159 10.783 1.00 0.00 H new ATOM 0 HA ILE A 52 18.221 9.811 10.501 1.00 0.00 H new ATOM 0 HB ILE A 52 20.451 9.566 8.503 1.00 0.00 H new ATOM 0 HG12 ILE A 52 20.507 11.221 10.529 1.00 0.00 H new ATOM 0 HG13 ILE A 52 20.960 11.763 8.925 1.00 0.00 H new ATOM 0 HG21 ILE A 52 19.056 10.968 7.041 1.00 0.00 H new ATOM 0 HG22 ILE A 52 18.313 9.382 7.356 1.00 0.00 H new ATOM 0 HG23 ILE A 52 17.712 10.829 8.199 1.00 0.00 H new ATOM 0 HD11 ILE A 52 19.427 13.383 9.996 1.00 0.00 H new ATOM 0 HD12 ILE A 52 18.662 12.657 8.563 1.00 0.00 H new ATOM 0 HD13 ILE A 52 18.202 12.107 10.191 1.00 0.00 H new ATOM 704 N LEU A 53 19.079 6.899 9.324 1.00 0.00 N ATOM 705 CA LEU A 53 18.554 5.643 8.816 1.00 0.00 C ATOM 706 C LEU A 53 17.514 5.096 9.796 1.00 0.00 C ATOM 707 O LEU A 53 16.419 4.707 9.392 1.00 0.00 O ATOM 708 CB LEU A 53 19.693 4.666 8.521 1.00 0.00 C ATOM 709 CG LEU A 53 20.159 4.598 7.065 1.00 0.00 C ATOM 710 CD1 LEU A 53 21.284 3.575 6.896 1.00 0.00 C ATOM 711 CD2 LEU A 53 18.983 4.318 6.126 1.00 0.00 C ATOM 0 H LEU A 53 20.075 6.888 9.543 1.00 0.00 H new ATOM 0 HA LEU A 53 18.045 5.800 7.865 1.00 0.00 H new ATOM 0 HB2 LEU A 53 20.547 4.936 9.143 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.378 3.669 8.828 1.00 0.00 H new ATOM 0 HG LEU A 53 20.566 5.571 6.791 1.00 0.00 H new ATOM 0 HD11 LEU A 53 21.596 3.547 5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 53 22.131 3.859 7.521 1.00 0.00 H new ATOM 0 HD13 LEU A 53 20.927 2.589 7.195 1.00 0.00 H new ATOM 0 HD21 LEU A 53 19.341 4.275 5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 53 18.525 3.365 6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 53 18.245 5.114 6.220 1.00 0.00 H new ATOM 723 N GLY A 54 17.893 5.084 11.066 1.00 0.00 N ATOM 724 CA GLY A 54 17.006 4.592 12.106 1.00 0.00 C ATOM 725 C GLY A 54 15.576 5.089 11.890 1.00 0.00 C ATOM 726 O GLY A 54 14.623 4.321 12.009 1.00 0.00 O ATOM 0 H GLY A 54 18.802 5.407 11.398 1.00 0.00 H new ATOM 0 HA2 GLY A 54 17.018 3.502 12.113 1.00 0.00 H new ATOM 0 HA3 GLY A 54 17.366 4.921 13.081 1.00 0.00 H new ATOM 730 N LYS A 55 15.471 6.372 11.574 1.00 0.00 N ATOM 731 CA LYS A 55 14.174 6.982 11.340 1.00 0.00 C ATOM 732 C LYS A 55 13.490 6.279 10.165 1.00 0.00 C ATOM 733 O LYS A 55 12.302 5.966 10.231 1.00 0.00 O ATOM 734 CB LYS A 55 14.317 8.493 11.152 1.00 0.00 C ATOM 735 CG LYS A 55 14.608 9.186 12.485 1.00 0.00 C ATOM 736 CD LYS A 55 13.413 10.028 12.937 1.00 0.00 C ATOM 737 CE LYS A 55 13.749 10.822 14.201 1.00 0.00 C ATOM 738 NZ LYS A 55 13.384 10.051 15.410 1.00 0.00 N ATOM 0 H LYS A 55 16.264 7.006 11.475 1.00 0.00 H new ATOM 0 HA LYS A 55 13.530 6.852 12.210 1.00 0.00 H new ATOM 0 HB2 LYS A 55 15.122 8.701 10.447 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.402 8.898 10.720 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.839 8.439 13.244 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.488 9.821 12.384 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.123 10.712 12.140 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.558 9.380 13.127 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.814 11.055 14.219 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.215 11.772 14.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.619 10.604 16.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.364 9.850 15.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.913 9.156 15.423 1.00 0.00 H new ATOM 749 N ILE A 56 14.269 6.051 9.118 1.00 0.00 N ATOM 750 CA ILE A 56 13.753 5.391 7.931 1.00 0.00 C ATOM 751 C ILE A 56 13.177 4.028 8.320 1.00 0.00 C ATOM 752 O ILE A 56 12.029 3.721 8.003 1.00 0.00 O ATOM 753 CB ILE A 56 14.831 5.317 6.848 1.00 0.00 C ATOM 754 CG1 ILE A 56 15.251 6.716 6.395 1.00 0.00 C ATOM 755 CG2 ILE A 56 14.371 4.448 5.675 1.00 0.00 C ATOM 756 CD1 ILE A 56 16.137 6.647 5.150 1.00 0.00 C ATOM 0 H ILE A 56 15.254 6.312 9.067 1.00 0.00 H new ATOM 0 HA ILE A 56 12.937 5.970 7.497 1.00 0.00 H new ATOM 0 HB ILE A 56 15.713 4.840 7.276 1.00 0.00 H new ATOM 0 HG12 ILE A 56 14.365 7.314 6.182 1.00 0.00 H new ATOM 0 HG13 ILE A 56 15.788 7.217 7.200 1.00 0.00 H new ATOM 0 HG21 ILE A 56 15.156 4.412 4.919 1.00 0.00 H new ATOM 0 HG22 ILE A 56 14.162 3.439 6.030 1.00 0.00 H new ATOM 0 HG23 ILE A 56 13.467 4.874 5.239 1.00 0.00 H new ATOM 0 HD11 ILE A 56 16.421 7.655 4.849 1.00 0.00 H new ATOM 0 HD12 ILE A 56 17.034 6.069 5.373 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.588 6.168 4.339 1.00 0.00 H new ATOM 768 N TRP A 57 14.002 3.246 9.002 1.00 0.00 N ATOM 769 CA TRP A 57 13.589 1.923 9.438 1.00 0.00 C ATOM 770 C TRP A 57 12.303 2.073 10.253 1.00 0.00 C ATOM 771 O TRP A 57 11.281 1.474 9.922 1.00 0.00 O ATOM 772 CB TRP A 57 14.709 1.226 10.213 1.00 0.00 C ATOM 773 CG TRP A 57 14.421 -0.240 10.542 1.00 0.00 C ATOM 774 CD1 TRP A 57 13.469 -0.733 11.347 1.00 0.00 C ATOM 775 CD2 TRP A 57 15.131 -1.390 10.038 1.00 0.00 C ATOM 776 NE1 TRP A 57 13.515 -2.111 11.398 1.00 0.00 N ATOM 777 CE2 TRP A 57 14.558 -2.524 10.577 1.00 0.00 C ATOM 778 CE3 TRP A 57 16.223 -1.470 9.155 1.00 0.00 C ATOM 779 CZ2 TRP A 57 15.007 -3.819 10.294 1.00 0.00 C ATOM 780 CZ3 TRP A 57 16.660 -2.772 8.883 1.00 0.00 C ATOM 781 CH2 TRP A 57 16.094 -3.923 9.417 1.00 0.00 C ATOM 0 H TRP A 57 14.954 3.504 9.263 1.00 0.00 H new ATOM 0 HA TRP A 57 13.385 1.282 8.581 1.00 0.00 H new ATOM 0 HB2 TRP A 57 15.629 1.283 9.631 1.00 0.00 H new ATOM 0 HB3 TRP A 57 14.885 1.768 11.142 1.00 0.00 H new ATOM 0 HD1 TRP A 57 12.756 -0.128 11.887 1.00 0.00 H new ATOM 0 HE1 TRP A 57 12.897 -2.716 11.939 1.00 0.00 H new ATOM 0 HE3 TRP A 57 16.687 -0.597 8.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 14.541 -4.691 10.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 17.497 -2.890 8.210 1.00 0.00 H new ATOM 0 HH2 TRP A 57 16.490 -4.893 9.157 1.00 0.00 H new ATOM 792 N ASP A 58 12.395 2.876 11.302 1.00 0.00 N ATOM 793 CA ASP A 58 11.251 3.113 12.166 1.00 0.00 C ATOM 794 C ASP A 58 10.032 3.458 11.309 1.00 0.00 C ATOM 795 O ASP A 58 8.900 3.158 11.684 1.00 0.00 O ATOM 796 CB ASP A 58 11.510 4.286 13.114 1.00 0.00 C ATOM 797 CG ASP A 58 10.966 4.105 14.532 1.00 0.00 C ATOM 798 OD1 ASP A 58 11.731 3.936 15.493 1.00 0.00 O ATOM 799 OD2 ASP A 58 9.680 4.142 14.631 1.00 0.00 O ATOM 0 H ASP A 58 13.244 3.371 11.574 1.00 0.00 H new ATOM 0 HA ASP A 58 11.077 2.209 12.750 1.00 0.00 H new ATOM 0 HB2 ASP A 58 12.585 4.455 13.173 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.069 5.185 12.684 1.00 0.00 H new ATOM 805 N LEU A 59 10.305 4.083 10.173 1.00 0.00 N ATOM 806 CA LEU A 59 9.245 4.472 9.259 1.00 0.00 C ATOM 807 C LEU A 59 8.873 3.278 8.378 1.00 0.00 C ATOM 808 O LEU A 59 7.721 3.135 7.973 1.00 0.00 O ATOM 809 CB LEU A 59 9.649 5.718 8.468 1.00 0.00 C ATOM 810 CG LEU A 59 8.665 6.175 7.389 1.00 0.00 C ATOM 811 CD1 LEU A 59 8.909 5.431 6.074 1.00 0.00 C ATOM 812 CD2 LEU A 59 7.220 6.033 7.869 1.00 0.00 C ATOM 0 H LEU A 59 11.246 4.330 9.865 1.00 0.00 H new ATOM 0 HA LEU A 59 8.349 4.751 9.813 1.00 0.00 H new ATOM 0 HB2 LEU A 59 9.794 6.539 9.170 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.613 5.528 7.996 1.00 0.00 H new ATOM 0 HG LEU A 59 8.837 7.234 7.196 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.196 5.774 5.324 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.924 5.628 5.728 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.781 4.360 6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.541 6.365 7.083 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.017 4.989 8.107 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.071 6.644 8.759 1.00 0.00 H new ATOM 824 N ALA A 60 9.872 2.450 8.107 1.00 0.00 N ATOM 825 CA ALA A 60 9.664 1.272 7.281 1.00 0.00 C ATOM 826 C ALA A 60 9.000 0.178 8.119 1.00 0.00 C ATOM 827 O ALA A 60 7.861 -0.205 7.856 1.00 0.00 O ATOM 828 CB ALA A 60 11.001 0.822 6.689 1.00 0.00 C ATOM 0 H ALA A 60 10.827 2.571 8.444 1.00 0.00 H new ATOM 0 HA ALA A 60 8.998 1.499 6.448 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.846 -0.061 6.070 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.417 1.624 6.080 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.694 0.582 7.496 1.00 0.00 H new ATOM 834 N ASP A 61 9.740 -0.295 9.111 1.00 0.00 N ATOM 835 CA ASP A 61 9.237 -1.338 9.989 1.00 0.00 C ATOM 836 C ASP A 61 7.757 -1.082 10.281 1.00 0.00 C ATOM 837 O ASP A 61 7.375 0.028 10.649 1.00 0.00 O ATOM 838 CB ASP A 61 9.987 -1.345 11.322 1.00 0.00 C ATOM 839 CG ASP A 61 9.567 -2.449 12.295 1.00 0.00 C ATOM 840 OD1 ASP A 61 10.174 -3.530 12.335 1.00 0.00 O ATOM 841 OD2 ASP A 61 8.557 -2.160 13.043 1.00 0.00 O ATOM 0 H ASP A 61 10.684 0.025 9.326 1.00 0.00 H new ATOM 0 HA ASP A 61 9.379 -2.297 9.490 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.054 -1.445 11.121 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.843 -0.380 11.807 1.00 0.00 H new ATOM 847 N THR A 62 6.963 -2.129 10.106 1.00 0.00 N ATOM 848 CA THR A 62 5.533 -2.031 10.346 1.00 0.00 C ATOM 849 C THR A 62 4.923 -3.425 10.508 1.00 0.00 C ATOM 850 O THR A 62 4.108 -3.651 11.400 1.00 0.00 O ATOM 851 CB THR A 62 4.915 -1.227 9.202 1.00 0.00 C ATOM 852 OG1 THR A 62 5.240 0.126 9.512 1.00 0.00 O ATOM 853 CG2 THR A 62 3.385 -1.256 9.224 1.00 0.00 C ATOM 0 H THR A 62 7.283 -3.048 9.801 1.00 0.00 H new ATOM 0 HA THR A 62 5.324 -1.508 11.279 1.00 0.00 H new ATOM 0 HB THR A 62 5.272 -1.620 8.250 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.722 0.160 10.365 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.998 -0.670 8.391 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.039 -2.286 9.135 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.027 -0.833 10.162 1.00 0.00 H new ATOM 861 N ASP A 63 5.343 -4.325 9.629 1.00 0.00 N ATOM 862 CA ASP A 63 4.848 -5.691 9.663 1.00 0.00 C ATOM 863 C ASP A 63 4.754 -6.159 11.117 1.00 0.00 C ATOM 864 O ASP A 63 3.739 -6.718 11.528 1.00 0.00 O ATOM 865 CB ASP A 63 5.794 -6.637 8.921 1.00 0.00 C ATOM 866 CG ASP A 63 5.195 -7.998 8.560 1.00 0.00 C ATOM 867 OD1 ASP A 63 5.227 -8.943 9.362 1.00 0.00 O ATOM 868 OD2 ASP A 63 4.671 -8.068 7.383 1.00 0.00 O ATOM 0 H ASP A 63 6.020 -4.135 8.890 1.00 0.00 H new ATOM 0 HA ASP A 63 3.870 -5.708 9.182 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.127 -6.149 8.005 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.679 -6.798 9.536 1.00 0.00 H new ATOM 874 N GLY A 64 5.827 -5.913 11.854 1.00 0.00 N ATOM 875 CA GLY A 64 5.879 -6.303 13.253 1.00 0.00 C ATOM 876 C GLY A 64 7.151 -7.097 13.555 1.00 0.00 C ATOM 877 O GLY A 64 7.977 -6.671 14.360 1.00 0.00 O ATOM 0 H GLY A 64 6.667 -5.449 11.509 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.843 -5.414 13.883 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.004 -6.904 13.499 1.00 0.00 H new ATOM 881 N LYS A 65 7.269 -8.238 12.891 1.00 0.00 N ATOM 882 CA LYS A 65 8.427 -9.096 13.078 1.00 0.00 C ATOM 883 C LYS A 65 9.693 -8.328 12.691 1.00 0.00 C ATOM 884 O LYS A 65 9.636 -7.390 11.898 1.00 0.00 O ATOM 885 CB LYS A 65 8.248 -10.410 12.316 1.00 0.00 C ATOM 886 CG LYS A 65 8.745 -11.597 13.145 1.00 0.00 C ATOM 887 CD LYS A 65 9.878 -12.332 12.427 1.00 0.00 C ATOM 888 CE LYS A 65 10.890 -12.891 13.429 1.00 0.00 C ATOM 889 NZ LYS A 65 12.272 -12.670 12.948 1.00 0.00 N ATOM 0 H LYS A 65 6.582 -8.588 12.223 1.00 0.00 H new ATOM 0 HA LYS A 65 8.530 -9.374 14.127 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.196 -10.550 12.068 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.794 -10.366 11.374 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.093 -11.246 14.117 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.921 -12.286 13.331 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.467 -13.145 11.828 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.380 -11.651 11.739 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.755 -12.410 14.398 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.715 -13.957 13.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.946 -13.055 13.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.402 -13.149 12.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.440 -11.650 12.832 1.00 0.00 H new ATOM 900 N GLY A 66 10.806 -8.755 13.270 1.00 0.00 N ATOM 901 CA GLY A 66 12.083 -8.120 12.996 1.00 0.00 C ATOM 902 C GLY A 66 12.386 -8.122 11.496 1.00 0.00 C ATOM 903 O GLY A 66 12.845 -7.119 10.951 1.00 0.00 O ATOM 0 H GLY A 66 10.849 -9.533 13.928 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.070 -7.095 13.367 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.875 -8.643 13.531 1.00 0.00 H new ATOM 907 N VAL A 67 12.117 -9.259 10.872 1.00 0.00 N ATOM 908 CA VAL A 67 12.355 -9.404 9.446 1.00 0.00 C ATOM 909 C VAL A 67 11.691 -8.244 8.702 1.00 0.00 C ATOM 910 O VAL A 67 10.856 -7.537 9.264 1.00 0.00 O ATOM 911 CB VAL A 67 11.868 -10.775 8.971 1.00 0.00 C ATOM 912 CG1 VAL A 67 11.415 -10.721 7.511 1.00 0.00 C ATOM 913 CG2 VAL A 67 12.949 -11.839 9.171 1.00 0.00 C ATOM 0 H VAL A 67 11.737 -10.089 11.328 1.00 0.00 H new ATOM 0 HA VAL A 67 13.423 -9.360 9.231 1.00 0.00 H new ATOM 0 HB VAL A 67 11.007 -11.054 9.578 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.074 -11.708 7.199 1.00 0.00 H new ATOM 0 HG12 VAL A 67 10.598 -10.006 7.410 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.249 -10.410 6.882 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.578 -12.804 8.826 1.00 0.00 H new ATOM 0 HG22 VAL A 67 13.837 -11.567 8.601 1.00 0.00 H new ATOM 0 HG23 VAL A 67 13.203 -11.905 10.229 1.00 0.00 H new ATOM 923 N LEU A 68 12.086 -8.084 7.447 1.00 0.00 N ATOM 924 CA LEU A 68 11.540 -7.021 6.620 1.00 0.00 C ATOM 925 C LEU A 68 10.454 -7.597 5.709 1.00 0.00 C ATOM 926 O LEU A 68 10.375 -8.810 5.521 1.00 0.00 O ATOM 927 CB LEU A 68 12.659 -6.302 5.864 1.00 0.00 C ATOM 928 CG LEU A 68 13.666 -5.537 6.725 1.00 0.00 C ATOM 929 CD1 LEU A 68 14.750 -4.893 5.859 1.00 0.00 C ATOM 930 CD2 LEU A 68 12.959 -4.511 7.614 1.00 0.00 C ATOM 0 H LEU A 68 12.778 -8.673 6.983 1.00 0.00 H new ATOM 0 HA LEU A 68 11.066 -6.260 7.241 1.00 0.00 H new ATOM 0 HB2 LEU A 68 13.202 -7.039 5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 68 12.205 -5.602 5.162 1.00 0.00 H new ATOM 0 HG LEU A 68 14.161 -6.249 7.385 1.00 0.00 H new ATOM 0 HD11 LEU A 68 15.453 -4.356 6.496 1.00 0.00 H new ATOM 0 HD12 LEU A 68 15.281 -5.667 5.305 1.00 0.00 H new ATOM 0 HD13 LEU A 68 14.290 -4.197 5.158 1.00 0.00 H new ATOM 0 HD21 LEU A 68 13.697 -3.981 8.216 1.00 0.00 H new ATOM 0 HD22 LEU A 68 12.420 -3.798 6.990 1.00 0.00 H new ATOM 0 HD23 LEU A 68 12.255 -5.022 8.271 1.00 0.00 H new ATOM 942 N SER A 69 9.643 -6.700 5.168 1.00 0.00 N ATOM 943 CA SER A 69 8.565 -7.104 4.281 1.00 0.00 C ATOM 944 C SER A 69 9.008 -6.969 2.823 1.00 0.00 C ATOM 945 O SER A 69 10.174 -7.195 2.502 1.00 0.00 O ATOM 946 CB SER A 69 7.305 -6.273 4.532 1.00 0.00 C ATOM 947 OG SER A 69 7.122 -5.986 5.916 1.00 0.00 O ATOM 0 H SER A 69 9.711 -5.695 5.327 1.00 0.00 H new ATOM 0 HA SER A 69 8.326 -8.148 4.486 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.369 -5.339 3.973 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.435 -6.811 4.155 1.00 0.00 H new ATOM 0 HG SER A 69 7.443 -6.741 6.452 1.00 0.00 H new ATOM 953 N LYS A 70 8.055 -6.600 1.980 1.00 0.00 N ATOM 954 CA LYS A 70 8.333 -6.433 0.564 1.00 0.00 C ATOM 955 C LYS A 70 8.560 -4.949 0.265 1.00 0.00 C ATOM 956 O LYS A 70 9.657 -4.432 0.469 1.00 0.00 O ATOM 957 CB LYS A 70 7.224 -7.067 -0.278 1.00 0.00 C ATOM 958 CG LYS A 70 5.857 -6.875 0.381 1.00 0.00 C ATOM 959 CD LYS A 70 5.554 -8.013 1.358 1.00 0.00 C ATOM 960 CE LYS A 70 4.171 -8.611 1.092 1.00 0.00 C ATOM 961 NZ LYS A 70 4.230 -10.089 1.127 1.00 0.00 N ATOM 0 H LYS A 70 7.090 -6.412 2.250 1.00 0.00 H new ATOM 0 HA LYS A 70 9.249 -6.958 0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.218 -6.621 -1.273 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.423 -8.131 -0.407 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.835 -5.922 0.909 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.083 -6.833 -0.385 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.314 -8.789 1.265 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.602 -7.641 2.381 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.463 -8.252 1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.805 -8.279 0.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.283 -10.479 0.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.890 -10.427 0.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.558 -10.401 2.063 1.00 0.00 H new ATOM 972 N GLN A 71 7.505 -4.307 -0.213 1.00 0.00 N ATOM 973 CA GLN A 71 7.575 -2.893 -0.542 1.00 0.00 C ATOM 974 C GLN A 71 8.340 -2.133 0.544 1.00 0.00 C ATOM 975 O GLN A 71 9.004 -1.138 0.259 1.00 0.00 O ATOM 976 CB GLN A 71 6.176 -2.306 -0.740 1.00 0.00 C ATOM 977 CG GLN A 71 5.262 -2.658 0.435 1.00 0.00 C ATOM 978 CD GLN A 71 5.381 -1.620 1.552 1.00 0.00 C ATOM 979 OE1 GLN A 71 6.341 -0.873 1.641 1.00 0.00 O ATOM 980 NE2 GLN A 71 4.354 -1.615 2.398 1.00 0.00 N ATOM 0 H GLN A 71 6.597 -4.739 -0.381 1.00 0.00 H new ATOM 0 HA GLN A 71 8.115 -2.785 -1.483 1.00 0.00 H new ATOM 0 HB2 GLN A 71 6.243 -1.223 -0.841 1.00 0.00 H new ATOM 0 HB3 GLN A 71 5.746 -2.686 -1.666 1.00 0.00 H new ATOM 0 HG2 GLN A 71 4.229 -2.712 0.093 1.00 0.00 H new ATOM 0 HG3 GLN A 71 5.522 -3.644 0.820 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.581 -2.268 2.266 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.339 -0.958 3.178 1.00 0.00 H new ATOM 989 N GLU A 72 8.220 -2.631 1.766 1.00 0.00 N ATOM 990 CA GLU A 72 8.891 -2.011 2.896 1.00 0.00 C ATOM 991 C GLU A 72 10.346 -1.696 2.541 1.00 0.00 C ATOM 992 O GLU A 72 10.688 -0.544 2.277 1.00 0.00 O ATOM 993 CB GLU A 72 8.811 -2.902 4.137 1.00 0.00 C ATOM 994 CG GLU A 72 7.367 -3.031 4.627 1.00 0.00 C ATOM 995 CD GLU A 72 6.896 -1.736 5.292 1.00 0.00 C ATOM 996 OE1 GLU A 72 7.711 -0.835 5.541 1.00 0.00 O ATOM 997 OE2 GLU A 72 5.633 -1.684 5.549 1.00 0.00 O ATOM 0 H GLU A 72 7.668 -3.457 1.998 1.00 0.00 H new ATOM 0 HA GLU A 72 8.382 -1.075 3.127 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.210 -3.890 3.906 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.432 -2.484 4.930 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.714 -3.271 3.788 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.292 -3.856 5.335 1.00 0.00 H new ATOM 1005 N PHE A 73 11.163 -2.739 2.545 1.00 0.00 N ATOM 1006 CA PHE A 73 12.572 -2.587 2.227 1.00 0.00 C ATOM 1007 C PHE A 73 12.759 -1.801 0.928 1.00 0.00 C ATOM 1008 O PHE A 73 13.623 -0.930 0.845 1.00 0.00 O ATOM 1009 CB PHE A 73 13.143 -3.995 2.045 1.00 0.00 C ATOM 1010 CG PHE A 73 14.411 -4.046 1.190 1.00 0.00 C ATOM 1011 CD1 PHE A 73 14.321 -3.976 -0.165 1.00 0.00 C ATOM 1012 CD2 PHE A 73 15.629 -4.161 1.785 1.00 0.00 C ATOM 1013 CE1 PHE A 73 15.498 -4.024 -0.959 1.00 0.00 C ATOM 1014 CE2 PHE A 73 16.805 -4.208 0.992 1.00 0.00 C ATOM 1015 CZ PHE A 73 16.715 -4.139 -0.363 1.00 0.00 C ATOM 0 H PHE A 73 10.876 -3.693 2.764 1.00 0.00 H new ATOM 0 HA PHE A 73 13.078 -2.043 3.025 1.00 0.00 H new ATOM 0 HB2 PHE A 73 13.361 -4.417 3.026 1.00 0.00 H new ATOM 0 HB3 PHE A 73 12.383 -4.628 1.587 1.00 0.00 H new ATOM 0 HD1 PHE A 73 13.354 -3.884 -0.638 1.00 0.00 H new ATOM 0 HD2 PHE A 73 15.701 -4.217 2.861 1.00 0.00 H new ATOM 0 HE1 PHE A 73 15.426 -3.969 -2.035 1.00 0.00 H new ATOM 0 HE2 PHE A 73 17.772 -4.299 1.465 1.00 0.00 H new ATOM 0 HZ PHE A 73 17.610 -4.176 -0.966 1.00 0.00 H new ATOM 1025 N PHE A 74 11.936 -2.138 -0.054 1.00 0.00 N ATOM 1026 CA PHE A 74 12.000 -1.474 -1.345 1.00 0.00 C ATOM 1027 C PHE A 74 11.802 0.036 -1.196 1.00 0.00 C ATOM 1028 O PHE A 74 12.287 0.813 -2.017 1.00 0.00 O ATOM 1029 CB PHE A 74 10.864 -2.044 -2.197 1.00 0.00 C ATOM 1030 CG PHE A 74 11.328 -3.015 -3.284 1.00 0.00 C ATOM 1031 CD1 PHE A 74 11.828 -4.232 -2.940 1.00 0.00 C ATOM 1032 CD2 PHE A 74 11.241 -2.661 -4.595 1.00 0.00 C ATOM 1033 CE1 PHE A 74 12.259 -5.133 -3.949 1.00 0.00 C ATOM 1034 CE2 PHE A 74 11.672 -3.562 -5.604 1.00 0.00 C ATOM 1035 CZ PHE A 74 12.172 -4.779 -5.260 1.00 0.00 C ATOM 0 H PHE A 74 11.221 -2.862 0.018 1.00 0.00 H new ATOM 0 HA PHE A 74 12.975 -1.642 -1.802 1.00 0.00 H new ATOM 0 HB2 PHE A 74 10.156 -2.556 -1.545 1.00 0.00 H new ATOM 0 HB3 PHE A 74 10.327 -1.220 -2.666 1.00 0.00 H new ATOM 0 HD1 PHE A 74 11.897 -4.513 -1.900 1.00 0.00 H new ATOM 0 HD2 PHE A 74 10.844 -1.694 -4.868 1.00 0.00 H new ATOM 0 HE1 PHE A 74 12.656 -6.100 -3.676 1.00 0.00 H new ATOM 0 HE2 PHE A 74 11.603 -3.281 -6.644 1.00 0.00 H new ATOM 0 HZ PHE A 74 12.500 -5.465 -6.027 1.00 0.00 H new ATOM 1045 N VAL A 75 11.089 0.406 -0.142 1.00 0.00 N ATOM 1046 CA VAL A 75 10.822 1.809 0.125 1.00 0.00 C ATOM 1047 C VAL A 75 12.059 2.448 0.759 1.00 0.00 C ATOM 1048 O VAL A 75 12.637 3.378 0.199 1.00 0.00 O ATOM 1049 CB VAL A 75 9.568 1.946 0.991 1.00 0.00 C ATOM 1050 CG1 VAL A 75 9.807 2.913 2.153 1.00 0.00 C ATOM 1051 CG2 VAL A 75 8.367 2.385 0.151 1.00 0.00 C ATOM 0 H VAL A 75 10.688 -0.241 0.537 1.00 0.00 H new ATOM 0 HA VAL A 75 10.621 2.343 -0.803 1.00 0.00 H new ATOM 0 HB VAL A 75 9.343 0.966 1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 75 8.900 2.992 2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.622 2.541 2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.070 3.895 1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.489 2.475 0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.579 3.349 -0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.176 1.644 -0.626 1.00 0.00 H new ATOM 1061 N ALA A 76 12.429 1.923 1.918 1.00 0.00 N ATOM 1062 CA ALA A 76 13.587 2.431 2.633 1.00 0.00 C ATOM 1063 C ALA A 76 14.726 2.678 1.642 1.00 0.00 C ATOM 1064 O ALA A 76 15.549 3.569 1.846 1.00 0.00 O ATOM 1065 CB ALA A 76 13.978 1.446 3.737 1.00 0.00 C ATOM 0 H ALA A 76 11.947 1.151 2.379 1.00 0.00 H new ATOM 0 HA ALA A 76 13.355 3.382 3.112 1.00 0.00 H new ATOM 0 HB1 ALA A 76 14.847 1.827 4.274 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.146 1.328 4.431 1.00 0.00 H new ATOM 0 HB3 ALA A 76 14.220 0.480 3.294 1.00 0.00 H new ATOM 1071 N LEU A 77 14.736 1.874 0.589 1.00 0.00 N ATOM 1072 CA LEU A 77 15.760 1.994 -0.435 1.00 0.00 C ATOM 1073 C LEU A 77 15.699 3.394 -1.049 1.00 0.00 C ATOM 1074 O LEU A 77 16.564 4.228 -0.789 1.00 0.00 O ATOM 1075 CB LEU A 77 15.628 0.866 -1.460 1.00 0.00 C ATOM 1076 CG LEU A 77 16.876 0.008 -1.678 1.00 0.00 C ATOM 1077 CD1 LEU A 77 16.716 -0.890 -2.906 1.00 0.00 C ATOM 1078 CD2 LEU A 77 18.131 0.878 -1.763 1.00 0.00 C ATOM 0 H LEU A 77 14.051 1.137 0.423 1.00 0.00 H new ATOM 0 HA LEU A 77 16.752 1.880 0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.812 0.213 -1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 77 15.340 1.303 -2.416 1.00 0.00 H new ATOM 0 HG LEU A 77 16.996 -0.646 -0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 77 17.617 -1.489 -3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 77 15.859 -1.549 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.558 -0.273 -3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 77 19.004 0.244 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 77 18.036 1.574 -2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 77 18.249 1.437 -0.835 1.00 0.00 H new ATOM 1090 N ARG A 78 14.668 3.608 -1.853 1.00 0.00 N ATOM 1091 CA ARG A 78 14.482 4.892 -2.507 1.00 0.00 C ATOM 1092 C ARG A 78 14.351 6.004 -1.464 1.00 0.00 C ATOM 1093 O ARG A 78 14.569 7.176 -1.770 1.00 0.00 O ATOM 1094 CB ARG A 78 13.236 4.884 -3.394 1.00 0.00 C ATOM 1095 CG ARG A 78 13.467 4.053 -4.657 1.00 0.00 C ATOM 1096 CD ARG A 78 14.602 4.639 -5.499 1.00 0.00 C ATOM 1097 NE ARG A 78 15.855 3.892 -5.251 1.00 0.00 N ATOM 1098 CZ ARG A 78 16.858 3.776 -6.147 1.00 0.00 C ATOM 1099 NH1 ARG A 78 16.762 4.359 -7.361 1.00 0.00 N ATOM 1100 NH2 ARG A 78 17.933 3.084 -5.819 1.00 0.00 N ATOM 0 H ARG A 78 13.952 2.913 -2.066 1.00 0.00 H new ATOM 0 HA ARG A 78 15.356 5.076 -3.132 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.391 4.478 -2.837 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.975 5.906 -3.669 1.00 0.00 H new ATOM 0 HG2 ARG A 78 13.706 3.026 -4.382 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.551 4.020 -5.247 1.00 0.00 H new ATOM 0 HD2 ARG A 78 14.343 4.590 -6.557 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.742 5.692 -5.253 1.00 0.00 H new ATOM 0 HE ARG A 78 15.968 3.436 -4.346 1.00 0.00 H new ATOM 0 HH11 ARG A 78 15.927 4.892 -7.606 1.00 0.00 H new ATOM 0 HH12 ARG A 78 17.524 4.267 -8.033 1.00 0.00 H new ATOM 0 HH21 ARG A 78 17.997 2.646 -4.900 1.00 0.00 H new ATOM 0 HH22 ARG A 78 18.700 2.987 -6.485 1.00 0.00 H new ATOM 1113 N LEU A 79 13.994 5.598 -0.254 1.00 0.00 N ATOM 1114 CA LEU A 79 13.831 6.546 0.835 1.00 0.00 C ATOM 1115 C LEU A 79 15.169 7.233 1.113 1.00 0.00 C ATOM 1116 O LEU A 79 15.219 8.445 1.314 1.00 0.00 O ATOM 1117 CB LEU A 79 13.228 5.855 2.060 1.00 0.00 C ATOM 1118 CG LEU A 79 12.207 6.671 2.856 1.00 0.00 C ATOM 1119 CD1 LEU A 79 11.598 5.836 3.984 1.00 0.00 C ATOM 1120 CD2 LEU A 79 12.828 7.970 3.374 1.00 0.00 C ATOM 0 H LEU A 79 13.813 4.626 -0.004 1.00 0.00 H new ATOM 0 HA LEU A 79 13.124 7.327 0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 79 12.750 4.932 1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.040 5.573 2.730 1.00 0.00 H new ATOM 0 HG LEU A 79 11.393 6.948 2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.876 6.439 4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.097 4.965 3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.387 5.508 4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.082 8.531 3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 79 13.671 7.736 4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.174 8.569 2.532 1.00 0.00 H new ATOM 1132 N VAL A 80 16.222 6.428 1.115 1.00 0.00 N ATOM 1133 CA VAL A 80 17.557 6.944 1.365 1.00 0.00 C ATOM 1134 C VAL A 80 17.912 7.972 0.289 1.00 0.00 C ATOM 1135 O VAL A 80 18.561 8.977 0.575 1.00 0.00 O ATOM 1136 CB VAL A 80 18.558 5.789 1.441 1.00 0.00 C ATOM 1137 CG1 VAL A 80 19.987 6.311 1.601 1.00 0.00 C ATOM 1138 CG2 VAL A 80 18.197 4.824 2.572 1.00 0.00 C ATOM 0 H VAL A 80 16.177 5.423 0.948 1.00 0.00 H new ATOM 0 HA VAL A 80 17.595 7.454 2.327 1.00 0.00 H new ATOM 0 HB VAL A 80 18.506 5.239 0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.678 5.470 1.652 1.00 0.00 H new ATOM 0 HG12 VAL A 80 20.243 6.939 0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 80 20.060 6.897 2.517 1.00 0.00 H new ATOM 0 HG21 VAL A 80 18.924 4.013 2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.207 5.358 3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 80 17.203 4.413 2.396 1.00 0.00 H new ATOM 1148 N ALA A 81 17.471 7.685 -0.927 1.00 0.00 N ATOM 1149 CA ALA A 81 17.734 8.572 -2.047 1.00 0.00 C ATOM 1150 C ALA A 81 17.130 9.947 -1.756 1.00 0.00 C ATOM 1151 O ALA A 81 17.519 10.942 -2.366 1.00 0.00 O ATOM 1152 CB ALA A 81 17.178 7.952 -3.331 1.00 0.00 C ATOM 0 H ALA A 81 16.933 6.850 -1.161 1.00 0.00 H new ATOM 0 HA ALA A 81 18.807 8.705 -2.187 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.375 8.617 -4.171 1.00 0.00 H new ATOM 0 HB2 ALA A 81 17.659 6.990 -3.509 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.103 7.806 -3.229 1.00 0.00 H new ATOM 1158 N CYS A 82 16.190 9.959 -0.823 1.00 0.00 N ATOM 1159 CA CYS A 82 15.528 11.196 -0.443 1.00 0.00 C ATOM 1160 C CYS A 82 16.474 11.987 0.464 1.00 0.00 C ATOM 1161 O CYS A 82 17.040 12.996 0.047 1.00 0.00 O ATOM 1162 CB CYS A 82 14.180 10.933 0.230 1.00 0.00 C ATOM 1163 SG CYS A 82 13.091 12.392 0.041 1.00 0.00 S ATOM 0 H CYS A 82 15.871 9.132 -0.319 1.00 0.00 H new ATOM 0 HA CYS A 82 15.306 11.782 -1.335 1.00 0.00 H new ATOM 0 HB2 CYS A 82 13.708 10.056 -0.213 1.00 0.00 H new ATOM 0 HB3 CYS A 82 14.329 10.714 1.287 1.00 0.00 H new ATOM 0 HG CYS A 82 11.948 12.157 0.614 1.00 0.00 H new ATOM 1169 N ALA A 83 16.615 11.499 1.688 1.00 0.00 N ATOM 1170 CA ALA A 83 17.481 12.147 2.657 1.00 0.00 C ATOM 1171 C ALA A 83 18.823 12.473 1.998 1.00 0.00 C ATOM 1172 O ALA A 83 19.518 13.396 2.420 1.00 0.00 O ATOM 1173 CB ALA A 83 17.639 11.247 3.884 1.00 0.00 C ATOM 0 H ALA A 83 16.143 10.662 2.030 1.00 0.00 H new ATOM 0 HA ALA A 83 17.042 13.086 2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 83 18.289 11.734 4.611 1.00 0.00 H new ATOM 0 HB2 ALA A 83 16.662 11.069 4.333 1.00 0.00 H new ATOM 0 HB3 ALA A 83 18.079 10.296 3.583 1.00 0.00 H new ATOM 1179 N GLN A 84 19.146 11.699 0.972 1.00 0.00 N ATOM 1180 CA GLN A 84 20.391 11.894 0.250 1.00 0.00 C ATOM 1181 C GLN A 84 20.527 13.353 -0.189 1.00 0.00 C ATOM 1182 O GLN A 84 21.633 13.890 -0.238 1.00 0.00 O ATOM 1183 CB GLN A 84 20.484 10.948 -0.949 1.00 0.00 C ATOM 1184 CG GLN A 84 21.022 9.579 -0.529 1.00 0.00 C ATOM 1185 CD GLN A 84 22.451 9.373 -1.034 1.00 0.00 C ATOM 1186 OE1 GLN A 84 23.007 10.189 -1.751 1.00 0.00 O ATOM 1187 NE2 GLN A 84 23.012 8.240 -0.622 1.00 0.00 N ATOM 0 H GLN A 84 18.566 10.935 0.624 1.00 0.00 H new ATOM 0 HA GLN A 84 21.218 11.659 0.920 1.00 0.00 H new ATOM 0 HB2 GLN A 84 19.499 10.832 -1.402 1.00 0.00 H new ATOM 0 HB3 GLN A 84 21.135 11.381 -1.708 1.00 0.00 H new ATOM 0 HG2 GLN A 84 21.001 9.494 0.557 1.00 0.00 H new ATOM 0 HG3 GLN A 84 20.377 8.794 -0.923 1.00 0.00 H new ATOM 0 HE21 GLN A 84 22.490 7.601 -0.023 1.00 0.00 H new ATOM 0 HE22 GLN A 84 23.964 8.010 -0.905 1.00 0.00 H new ATOM 1196 N ASN A 85 19.387 13.953 -0.499 1.00 0.00 N ATOM 1197 CA ASN A 85 19.365 15.339 -0.933 1.00 0.00 C ATOM 1198 C ASN A 85 18.901 16.225 0.226 1.00 0.00 C ATOM 1199 O ASN A 85 18.377 17.316 0.007 1.00 0.00 O ATOM 1200 CB ASN A 85 18.392 15.536 -2.097 1.00 0.00 C ATOM 1201 CG ASN A 85 19.016 16.404 -3.192 1.00 0.00 C ATOM 1202 OD1 ASN A 85 19.856 15.968 -3.962 1.00 0.00 O ATOM 1203 ND2 ASN A 85 18.559 17.653 -3.218 1.00 0.00 N ATOM 0 H ASN A 85 18.472 13.504 -0.458 1.00 0.00 H new ATOM 0 HA ASN A 85 20.371 15.608 -1.254 1.00 0.00 H new ATOM 0 HB2 ASN A 85 18.113 14.567 -2.511 1.00 0.00 H new ATOM 0 HB3 ASN A 85 17.476 16.003 -1.735 1.00 0.00 H new ATOM 0 HD21 ASN A 85 18.913 18.311 -3.912 1.00 0.00 H new ATOM 0 HD22 ASN A 85 17.855 17.953 -2.544 1.00 0.00 H new ATOM 1210 N GLY A 86 19.111 15.722 1.433 1.00 0.00 N ATOM 1211 CA GLY A 86 18.721 16.453 2.627 1.00 0.00 C ATOM 1212 C GLY A 86 17.198 16.536 2.746 1.00 0.00 C ATOM 1213 O GLY A 86 16.675 17.357 3.497 1.00 0.00 O ATOM 0 H GLY A 86 19.546 14.817 1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.132 15.962 3.509 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.142 17.458 2.596 1.00 0.00 H new ATOM 1217 N LEU A 87 16.530 15.674 1.994 1.00 0.00 N ATOM 1218 CA LEU A 87 15.078 15.639 2.006 1.00 0.00 C ATOM 1219 C LEU A 87 14.600 14.915 3.267 1.00 0.00 C ATOM 1220 O LEU A 87 15.384 14.248 3.939 1.00 0.00 O ATOM 1221 CB LEU A 87 14.545 15.029 0.708 1.00 0.00 C ATOM 1222 CG LEU A 87 14.742 15.867 -0.557 1.00 0.00 C ATOM 1223 CD1 LEU A 87 14.492 15.030 -1.813 1.00 0.00 C ATOM 1224 CD2 LEU A 87 13.871 17.124 -0.523 1.00 0.00 C ATOM 0 H LEU A 87 16.968 14.994 1.372 1.00 0.00 H new ATOM 0 HA LEU A 87 14.673 16.650 2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 87 15.027 14.063 0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.479 14.837 0.831 1.00 0.00 H new ATOM 0 HG LEU A 87 15.781 16.196 -0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 87 14.639 15.649 -2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 87 15.189 14.192 -1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.470 14.651 -1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 87 14.030 17.702 -1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.822 16.838 -0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 87 14.140 17.730 0.342 1.00 0.00 H new ATOM 1236 N GLU A 88 13.315 15.072 3.549 1.00 0.00 N ATOM 1237 CA GLU A 88 12.723 14.442 4.717 1.00 0.00 C ATOM 1238 C GLU A 88 13.079 12.955 4.756 1.00 0.00 C ATOM 1239 O GLU A 88 13.480 12.382 3.744 1.00 0.00 O ATOM 1240 CB GLU A 88 11.206 14.643 4.739 1.00 0.00 C ATOM 1241 CG GLU A 88 10.713 14.938 6.157 1.00 0.00 C ATOM 1242 CD GLU A 88 11.473 16.117 6.768 1.00 0.00 C ATOM 1243 OE1 GLU A 88 11.973 16.014 7.898 1.00 0.00 O ATOM 1244 OE2 GLU A 88 11.534 17.170 6.025 1.00 0.00 O ATOM 0 H GLU A 88 12.667 15.626 2.989 1.00 0.00 H new ATOM 0 HA GLU A 88 13.133 14.917 5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 88 10.935 15.466 4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.712 13.750 4.357 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.646 15.160 6.136 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.842 14.054 6.782 1.00 0.00 H new ATOM 1252 N VAL A 89 12.920 12.371 5.934 1.00 0.00 N ATOM 1253 CA VAL A 89 13.219 10.961 6.118 1.00 0.00 C ATOM 1254 C VAL A 89 11.912 10.181 6.267 1.00 0.00 C ATOM 1255 O VAL A 89 11.909 8.952 6.220 1.00 0.00 O ATOM 1256 CB VAL A 89 14.163 10.778 7.308 1.00 0.00 C ATOM 1257 CG1 VAL A 89 14.867 9.421 7.245 1.00 0.00 C ATOM 1258 CG2 VAL A 89 15.179 11.919 7.384 1.00 0.00 C ATOM 0 H VAL A 89 12.588 12.849 6.772 1.00 0.00 H new ATOM 0 HA VAL A 89 13.736 10.564 5.245 1.00 0.00 H new ATOM 0 HB VAL A 89 13.563 10.803 8.218 1.00 0.00 H new ATOM 0 HG11 VAL A 89 15.532 9.316 8.102 1.00 0.00 H new ATOM 0 HG12 VAL A 89 14.123 8.624 7.263 1.00 0.00 H new ATOM 0 HG13 VAL A 89 15.448 9.355 6.325 1.00 0.00 H new ATOM 0 HG21 VAL A 89 15.837 11.764 8.239 1.00 0.00 H new ATOM 0 HG22 VAL A 89 15.771 11.940 6.469 1.00 0.00 H new ATOM 0 HG23 VAL A 89 14.654 12.867 7.498 1.00 0.00 H new ATOM 1268 N SER A 90 10.831 10.928 6.443 1.00 0.00 N ATOM 1269 CA SER A 90 9.520 10.322 6.598 1.00 0.00 C ATOM 1270 C SER A 90 8.807 10.261 5.245 1.00 0.00 C ATOM 1271 O SER A 90 8.933 11.176 4.433 1.00 0.00 O ATOM 1272 CB SER A 90 8.672 11.095 7.610 1.00 0.00 C ATOM 1273 OG SER A 90 9.388 11.359 8.814 1.00 0.00 O ATOM 0 H SER A 90 10.837 11.947 6.482 1.00 0.00 H new ATOM 0 HA SER A 90 9.655 9.309 6.976 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.347 12.037 7.167 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.772 10.524 7.841 1.00 0.00 H new ATOM 0 HG SER A 90 8.814 11.855 9.434 1.00 0.00 H new ATOM 1279 N LEU A 91 8.075 9.175 5.046 1.00 0.00 N ATOM 1280 CA LEU A 91 7.343 8.983 3.806 1.00 0.00 C ATOM 1281 C LEU A 91 6.400 10.168 3.587 1.00 0.00 C ATOM 1282 O LEU A 91 6.048 10.485 2.452 1.00 0.00 O ATOM 1283 CB LEU A 91 6.636 7.627 3.805 1.00 0.00 C ATOM 1284 CG LEU A 91 7.323 6.512 3.014 1.00 0.00 C ATOM 1285 CD1 LEU A 91 6.669 5.158 3.293 1.00 0.00 C ATOM 1286 CD2 LEU A 91 7.352 6.838 1.519 1.00 0.00 C ATOM 0 H LEU A 91 7.973 8.419 5.723 1.00 0.00 H new ATOM 0 HA LEU A 91 8.029 8.959 2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.525 7.297 4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.632 7.764 3.404 1.00 0.00 H new ATOM 0 HG LEU A 91 8.358 6.444 3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.177 4.383 2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.745 4.929 4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 91 5.619 5.195 3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.846 6.029 0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.332 6.950 1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.899 7.767 1.360 1.00 0.00 H new ATOM 1298 N SER A 92 6.017 10.791 4.693 1.00 0.00 N ATOM 1299 CA SER A 92 5.122 11.934 4.636 1.00 0.00 C ATOM 1300 C SER A 92 5.685 12.993 3.686 1.00 0.00 C ATOM 1301 O SER A 92 4.950 13.855 3.207 1.00 0.00 O ATOM 1302 CB SER A 92 4.903 12.531 6.028 1.00 0.00 C ATOM 1303 OG SER A 92 3.634 12.173 6.569 1.00 0.00 O ATOM 0 H SER A 92 6.310 10.525 5.633 1.00 0.00 H new ATOM 0 HA SER A 92 4.157 11.595 4.260 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.692 12.189 6.697 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.980 13.617 5.973 1.00 0.00 H new ATOM 0 HG SER A 92 3.533 12.572 7.458 1.00 0.00 H new ATOM 1309 N SER A 93 6.983 12.893 3.443 1.00 0.00 N ATOM 1310 CA SER A 93 7.653 13.832 2.559 1.00 0.00 C ATOM 1311 C SER A 93 8.309 13.081 1.398 1.00 0.00 C ATOM 1312 O SER A 93 9.362 13.486 0.909 1.00 0.00 O ATOM 1313 CB SER A 93 8.697 14.654 3.317 1.00 0.00 C ATOM 1314 OG SER A 93 8.359 16.037 3.362 1.00 0.00 O ATOM 0 H SER A 93 7.589 12.176 3.843 1.00 0.00 H new ATOM 0 HA SER A 93 6.907 14.520 2.163 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.792 14.271 4.333 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.669 14.534 2.839 1.00 0.00 H new ATOM 0 HG SER A 93 9.049 16.527 3.856 1.00 0.00 H new ATOM 1320 N LEU A 94 7.658 12.001 0.991 1.00 0.00 N ATOM 1321 CA LEU A 94 8.165 11.190 -0.103 1.00 0.00 C ATOM 1322 C LEU A 94 7.217 11.306 -1.299 1.00 0.00 C ATOM 1323 O LEU A 94 6.228 12.034 -1.243 1.00 0.00 O ATOM 1324 CB LEU A 94 8.398 9.751 0.361 1.00 0.00 C ATOM 1325 CG LEU A 94 9.789 9.442 0.918 1.00 0.00 C ATOM 1326 CD1 LEU A 94 10.863 9.631 -0.155 1.00 0.00 C ATOM 1327 CD2 LEU A 94 10.076 10.276 2.168 1.00 0.00 C ATOM 0 H LEU A 94 6.784 11.669 1.399 1.00 0.00 H new ATOM 0 HA LEU A 94 9.138 11.556 -0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.661 9.514 1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.209 9.084 -0.480 1.00 0.00 H new ATOM 0 HG LEU A 94 9.813 8.394 1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.842 9.405 0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.664 8.960 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 94 10.849 10.663 -0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 94 11.071 10.037 2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 94 10.027 11.336 1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.335 10.050 2.934 1.00 0.00 H new ATOM 1339 N SER A 95 7.554 10.576 -2.352 1.00 0.00 N ATOM 1340 CA SER A 95 6.746 10.587 -3.560 1.00 0.00 C ATOM 1341 C SER A 95 7.036 11.851 -4.372 1.00 0.00 C ATOM 1342 O SER A 95 6.180 12.324 -5.118 1.00 0.00 O ATOM 1343 CB SER A 95 5.255 10.502 -3.225 1.00 0.00 C ATOM 1344 OG SER A 95 4.640 11.787 -3.199 1.00 0.00 O ATOM 0 H SER A 95 8.376 9.973 -2.394 1.00 0.00 H new ATOM 0 HA SER A 95 7.008 9.712 -4.155 1.00 0.00 H new ATOM 0 HB2 SER A 95 4.753 9.875 -3.962 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.128 10.020 -2.256 1.00 0.00 H new ATOM 0 HG SER A 95 4.844 12.230 -2.349 1.00 0.00 H new ATOM 1350 N LEU A 96 8.247 12.362 -4.200 1.00 0.00 N ATOM 1351 CA LEU A 96 8.660 13.561 -4.907 1.00 0.00 C ATOM 1352 C LEU A 96 9.739 13.199 -5.930 1.00 0.00 C ATOM 1353 O LEU A 96 9.898 12.031 -6.282 1.00 0.00 O ATOM 1354 CB LEU A 96 9.091 14.646 -3.918 1.00 0.00 C ATOM 1355 CG LEU A 96 8.421 14.603 -2.543 1.00 0.00 C ATOM 1356 CD1 LEU A 96 9.316 15.237 -1.476 1.00 0.00 C ATOM 1357 CD2 LEU A 96 7.036 15.252 -2.587 1.00 0.00 C ATOM 0 H LEU A 96 8.955 11.967 -3.581 1.00 0.00 H new ATOM 0 HA LEU A 96 7.822 13.983 -5.462 1.00 0.00 H new ATOM 0 HB2 LEU A 96 10.169 14.574 -3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.892 15.619 -4.367 1.00 0.00 H new ATOM 0 HG LEU A 96 8.279 13.558 -2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 96 8.816 15.193 -0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.259 14.693 -1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.512 16.277 -1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.582 15.208 -1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.132 16.293 -2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.406 14.718 -3.299 1.00 0.00 H new ATOM 1369 N ALA A 97 10.454 14.221 -6.377 1.00 0.00 N ATOM 1370 CA ALA A 97 11.513 14.025 -7.351 1.00 0.00 C ATOM 1371 C ALA A 97 12.828 13.747 -6.620 1.00 0.00 C ATOM 1372 O ALA A 97 13.797 14.489 -6.773 1.00 0.00 O ATOM 1373 CB ALA A 97 11.601 15.250 -8.264 1.00 0.00 C ATOM 0 H ALA A 97 10.320 15.188 -6.082 1.00 0.00 H new ATOM 0 HA ALA A 97 11.298 13.163 -7.982 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.396 15.103 -8.995 1.00 0.00 H new ATOM 0 HB2 ALA A 97 10.652 15.386 -8.783 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.818 16.135 -7.666 1.00 0.00 H new ATOM 1379 N VAL A 98 12.819 12.675 -5.840 1.00 0.00 N ATOM 1380 CA VAL A 98 13.999 12.290 -5.085 1.00 0.00 C ATOM 1381 C VAL A 98 15.124 11.925 -6.055 1.00 0.00 C ATOM 1382 O VAL A 98 14.882 11.296 -7.083 1.00 0.00 O ATOM 1383 CB VAL A 98 13.653 11.157 -4.117 1.00 0.00 C ATOM 1384 CG1 VAL A 98 12.464 11.535 -3.231 1.00 0.00 C ATOM 1385 CG2 VAL A 98 13.382 9.854 -4.872 1.00 0.00 C ATOM 0 H VAL A 98 12.014 12.062 -5.715 1.00 0.00 H new ATOM 0 HA VAL A 98 14.352 13.123 -4.477 1.00 0.00 H new ATOM 0 HB VAL A 98 14.515 10.996 -3.469 1.00 0.00 H new ATOM 0 HG11 VAL A 98 12.240 10.712 -2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.710 12.425 -2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 98 11.594 11.737 -3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 98 13.139 9.065 -4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 98 12.545 9.997 -5.556 1.00 0.00 H new ATOM 0 HG23 VAL A 98 14.269 9.571 -5.439 1.00 0.00 H new ATOM 1395 N PRO A 99 16.362 12.348 -5.684 1.00 0.00 N ATOM 1396 CA PRO A 99 17.526 12.072 -6.510 1.00 0.00 C ATOM 1397 C PRO A 99 17.951 10.607 -6.387 1.00 0.00 C ATOM 1398 O PRO A 99 17.394 9.861 -5.584 1.00 0.00 O ATOM 1399 CB PRO A 99 18.591 13.042 -6.025 1.00 0.00 C ATOM 1400 CG PRO A 99 18.142 13.500 -4.647 1.00 0.00 C ATOM 1401 CD PRO A 99 16.687 13.096 -4.473 1.00 0.00 C ATOM 0 HA PRO A 99 17.331 12.214 -7.573 1.00 0.00 H new ATOM 0 HB2 PRO A 99 19.567 12.559 -5.977 1.00 0.00 H new ATOM 0 HB3 PRO A 99 18.688 13.888 -6.705 1.00 0.00 H new ATOM 0 HG2 PRO A 99 18.760 13.044 -3.873 1.00 0.00 H new ATOM 0 HG3 PRO A 99 18.253 14.580 -4.549 1.00 0.00 H new ATOM 0 HD2 PRO A 99 16.550 12.484 -3.581 1.00 0.00 H new ATOM 0 HD3 PRO A 99 16.044 13.969 -4.363 1.00 0.00 H new ATOM 1409 N PRO A 100 18.959 10.230 -7.218 1.00 0.00 N ATOM 1410 CA PRO A 100 19.465 8.868 -7.210 1.00 0.00 C ATOM 1411 C PRO A 100 20.338 8.614 -5.979 1.00 0.00 C ATOM 1412 O PRO A 100 21.056 9.505 -5.529 1.00 0.00 O ATOM 1413 CB PRO A 100 20.227 8.724 -8.518 1.00 0.00 C ATOM 1414 CG PRO A 100 20.513 10.140 -8.992 1.00 0.00 C ATOM 1415 CD PRO A 100 19.642 11.087 -8.183 1.00 0.00 C ATOM 0 HA PRO A 100 18.671 8.125 -7.143 1.00 0.00 H new ATOM 0 HB2 PRO A 100 21.152 8.167 -8.372 1.00 0.00 H new ATOM 0 HB3 PRO A 100 19.639 8.177 -9.255 1.00 0.00 H new ATOM 0 HG2 PRO A 100 21.567 10.382 -8.857 1.00 0.00 H new ATOM 0 HG3 PRO A 100 20.297 10.237 -10.056 1.00 0.00 H new ATOM 0 HD2 PRO A 100 20.242 11.847 -7.682 1.00 0.00 H new ATOM 0 HD3 PRO A 100 18.930 11.612 -8.820 1.00 0.00 H new ATOM 1423 N PRO A 101 20.244 7.362 -5.457 1.00 0.00 N ATOM 1424 CA PRO A 101 21.015 6.980 -4.286 1.00 0.00 C ATOM 1425 C PRO A 101 22.485 6.756 -4.648 1.00 0.00 C ATOM 1426 O PRO A 101 22.943 7.196 -5.702 1.00 0.00 O ATOM 1427 CB PRO A 101 20.336 5.726 -3.759 1.00 0.00 C ATOM 1428 CG PRO A 101 19.499 5.191 -4.910 1.00 0.00 C ATOM 1429 CD PRO A 101 19.403 6.282 -5.964 1.00 0.00 C ATOM 0 HA PRO A 101 21.033 7.758 -3.522 1.00 0.00 H new ATOM 0 HB2 PRO A 101 21.072 4.990 -3.436 1.00 0.00 H new ATOM 0 HB3 PRO A 101 19.712 5.953 -2.895 1.00 0.00 H new ATOM 0 HG2 PRO A 101 19.956 4.294 -5.329 1.00 0.00 H new ATOM 0 HG3 PRO A 101 18.506 4.909 -4.561 1.00 0.00 H new ATOM 0 HD2 PRO A 101 19.754 5.928 -6.933 1.00 0.00 H new ATOM 0 HD3 PRO A 101 18.373 6.612 -6.099 1.00 0.00 H new ATOM 1437 N ARG A 102 23.184 6.071 -3.754 1.00 0.00 N ATOM 1438 CA ARG A 102 24.592 5.783 -3.966 1.00 0.00 C ATOM 1439 C ARG A 102 24.770 4.352 -4.477 1.00 0.00 C ATOM 1440 O ARG A 102 25.702 4.069 -5.229 1.00 0.00 O ATOM 1441 CB ARG A 102 25.391 5.959 -2.673 1.00 0.00 C ATOM 1442 CG ARG A 102 26.750 6.604 -2.951 1.00 0.00 C ATOM 1443 CD ARG A 102 27.872 5.566 -2.893 1.00 0.00 C ATOM 1444 NE ARG A 102 29.178 6.241 -2.723 1.00 0.00 N ATOM 1445 CZ ARG A 102 30.283 5.639 -2.234 1.00 0.00 C ATOM 1446 NH1 ARG A 102 30.249 4.342 -1.863 1.00 0.00 N ATOM 1447 NH2 ARG A 102 31.397 6.338 -2.125 1.00 0.00 N ATOM 0 H ARG A 102 22.801 5.707 -2.881 1.00 0.00 H new ATOM 0 HA ARG A 102 24.966 6.487 -4.709 1.00 0.00 H new ATOM 0 HB2 ARG A 102 24.827 6.577 -1.974 1.00 0.00 H new ATOM 0 HB3 ARG A 102 25.535 4.990 -2.196 1.00 0.00 H new ATOM 0 HG2 ARG A 102 26.738 7.077 -3.933 1.00 0.00 H new ATOM 0 HG3 ARG A 102 26.939 7.391 -2.221 1.00 0.00 H new ATOM 0 HD2 ARG A 102 27.699 4.877 -2.066 1.00 0.00 H new ATOM 0 HD3 ARG A 102 27.877 4.972 -3.807 1.00 0.00 H new ATOM 0 HE ARG A 102 29.248 7.222 -2.992 1.00 0.00 H new ATOM 0 HH11 ARG A 102 29.384 3.809 -1.951 1.00 0.00 H new ATOM 0 HH12 ARG A 102 31.088 3.895 -1.495 1.00 0.00 H new ATOM 0 HH21 ARG A 102 31.414 7.318 -2.408 1.00 0.00 H new ATOM 0 HH22 ARG A 102 32.241 5.899 -1.757 1.00 0.00 H new ATOM 1460 N PHE A 103 23.863 3.488 -4.048 1.00 0.00 N ATOM 1461 CA PHE A 103 23.908 2.093 -4.453 1.00 0.00 C ATOM 1462 C PHE A 103 24.284 1.962 -5.930 1.00 0.00 C ATOM 1463 O PHE A 103 24.210 2.934 -6.681 1.00 0.00 O ATOM 1464 CB PHE A 103 22.505 1.520 -4.244 1.00 0.00 C ATOM 1465 CG PHE A 103 21.875 1.893 -2.900 1.00 0.00 C ATOM 1466 CD1 PHE A 103 22.389 1.390 -1.745 1.00 0.00 C ATOM 1467 CD2 PHE A 103 20.801 2.726 -2.860 1.00 0.00 C ATOM 1468 CE1 PHE A 103 21.805 1.736 -0.498 1.00 0.00 C ATOM 1469 CE2 PHE A 103 20.216 3.071 -1.612 1.00 0.00 C ATOM 1470 CZ PHE A 103 20.731 2.569 -0.458 1.00 0.00 C ATOM 0 H PHE A 103 23.092 3.726 -3.424 1.00 0.00 H new ATOM 0 HA PHE A 103 24.657 1.560 -3.866 1.00 0.00 H new ATOM 0 HB2 PHE A 103 21.857 1.871 -5.047 1.00 0.00 H new ATOM 0 HB3 PHE A 103 22.552 0.434 -4.323 1.00 0.00 H new ATOM 0 HD1 PHE A 103 23.241 0.727 -1.777 1.00 0.00 H new ATOM 0 HD2 PHE A 103 20.393 3.125 -3.777 1.00 0.00 H new ATOM 0 HE1 PHE A 103 22.214 1.338 0.419 1.00 0.00 H new ATOM 0 HE2 PHE A 103 19.362 3.732 -1.580 1.00 0.00 H new ATOM 0 HZ PHE A 103 20.287 2.832 0.491 1.00 0.00 H new ATOM 1480 N HIS A 104 24.679 0.754 -6.303 1.00 0.00 N ATOM 1481 CA HIS A 104 25.066 0.484 -7.677 1.00 0.00 C ATOM 1482 C HIS A 104 23.834 0.556 -8.582 1.00 0.00 C ATOM 1483 O HIS A 104 23.953 0.493 -9.804 1.00 0.00 O ATOM 1484 CB HIS A 104 25.801 -0.854 -7.782 1.00 0.00 C ATOM 1485 CG HIS A 104 27.129 -0.772 -8.495 1.00 0.00 C ATOM 1486 ND1 HIS A 104 27.632 -1.807 -9.264 1.00 0.00 N ATOM 1487 CD2 HIS A 104 28.050 0.232 -8.550 1.00 0.00 C ATOM 1488 CE1 HIS A 104 28.805 -1.432 -9.753 1.00 0.00 C ATOM 1489 NE2 HIS A 104 29.063 -0.169 -9.309 1.00 0.00 N ATOM 0 H HIS A 104 24.739 -0.049 -5.677 1.00 0.00 H new ATOM 0 HA HIS A 104 25.768 1.246 -8.016 1.00 0.00 H new ATOM 0 HB2 HIS A 104 25.963 -1.247 -6.778 1.00 0.00 H new ATOM 0 HB3 HIS A 104 25.163 -1.567 -8.305 1.00 0.00 H new ATOM 0 HD2 HIS A 104 27.969 1.191 -8.059 1.00 0.00 H new ATOM 0 HE1 HIS A 104 29.445 -2.023 -10.391 1.00 0.00 H new ATOM 0 HE2 HIS A 104 29.897 0.378 -9.524 1.00 0.00 H new ATOM 1497 N ASP A 105 22.680 0.688 -7.945 1.00 0.00 N ATOM 1498 CA ASP A 105 21.427 0.770 -8.677 1.00 0.00 C ATOM 1499 C ASP A 105 20.317 1.229 -7.730 1.00 0.00 C ATOM 1500 O ASP A 105 20.398 2.312 -7.152 1.00 0.00 O ATOM 1501 CB ASP A 105 21.030 -0.595 -9.244 1.00 0.00 C ATOM 1502 CG ASP A 105 20.904 -0.650 -10.767 1.00 0.00 C ATOM 1503 OD1 ASP A 105 20.189 0.157 -11.379 1.00 0.00 O ATOM 1504 OD2 ASP A 105 21.589 -1.584 -11.337 1.00 0.00 O ATOM 0 H ASP A 105 22.586 0.740 -6.931 1.00 0.00 H new ATOM 0 HA ASP A 105 21.561 1.476 -9.496 1.00 0.00 H new ATOM 0 HB2 ASP A 105 21.769 -1.332 -8.929 1.00 0.00 H new ATOM 0 HB3 ASP A 105 20.077 -0.891 -8.805 1.00 0.00 H new TER 1510 ASP A 105