USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 562 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0138) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0.701 K(o=0.7,f=-0.38) USER MOD Single : A 5 THR OG1 : rot 123:sc= 1.14 USER MOD Single : A 7 SER OG : rot 180:sc= -0.198 USER MOD Single : A 10 THR OG1 : rot 96:sc= 1.35 USER MOD Single : A 13 GLN : amide:sc= -2.26 K(o=-2.3,f=-0.23) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0579 K(o=-0.058,f=-0.6) USER MOD Single : A 22 ASN : amide:sc= 0.512 K(o=0.51,f=-0.0071) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 2.02 K(o=2,f=-0.25) USER MOD Single : A 26 LYS NZ :NH3+ -130:sc= 1.25 (180deg=-0.384) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot -83:sc= -0.344 USER MOD Single : A 32 THR OG1 : rot -72:sc= -0.452 USER MOD Single : A 34 CYS SG : rot 87:sc= 1.26 USER MOD Single : A 43 THR OG1 : rot 121:sc= 1.31 USER MOD Single : A 46 GLN : amide:sc= 0.248 K(o=0.25,f=-1) USER MOD Single : A 47 THR OG1 : rot 160:sc= 0.114 USER MOD Single : A 48 GLN : amide:sc= 0.547 K(o=0.55,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.494 K(o=0.49,f=-0.019) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0177 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 112:sc= 1.23 USER MOD Single : A 72 THR OG1 : rot -49:sc= 0.826 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.977 -16.256 3.870 1.00 0.00 N ATOM 2 CA MET A 1 9.867 -16.115 2.423 1.00 0.00 C ATOM 3 C MET A 1 11.222 -15.788 1.799 1.00 0.00 C ATOM 4 O MET A 1 11.952 -14.924 2.290 1.00 0.00 O ATOM 5 CB MET A 1 8.859 -15.014 2.070 1.00 0.00 C ATOM 6 CG MET A 1 7.433 -15.318 2.506 1.00 0.00 C ATOM 7 SD MET A 1 6.192 -14.555 1.440 1.00 0.00 S ATOM 8 CE MET A 1 5.379 -16.014 0.788 1.00 0.00 C ATOM 0 H1 MET A 1 9.062 -16.561 4.260 1.00 0.00 H new ATOM 0 H2 MET A 1 10.703 -16.966 4.095 1.00 0.00 H new ATOM 0 H3 MET A 1 10.244 -15.342 4.289 1.00 0.00 H new ATOM 0 HA MET A 1 9.519 -17.066 2.020 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.179 -14.081 2.534 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.872 -14.855 0.992 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.283 -16.398 2.513 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.289 -14.969 3.529 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.582 -15.713 0.108 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.104 -16.625 0.250 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.956 -16.592 1.609 1.00 0.00 H new ATOM 18 N SER A 2 11.548 -16.487 0.723 1.00 0.00 N ATOM 19 CA SER A 2 12.783 -16.248 -0.014 1.00 0.00 C ATOM 20 C SER A 2 12.481 -15.546 -1.335 1.00 0.00 C ATOM 21 O SER A 2 11.325 -15.516 -1.765 1.00 0.00 O ATOM 22 CB SER A 2 13.501 -17.575 -0.274 1.00 0.00 C ATOM 23 OG SER A 2 13.078 -18.572 0.646 1.00 0.00 O ATOM 0 H SER A 2 10.969 -17.232 0.336 1.00 0.00 H new ATOM 0 HA SER A 2 13.431 -15.606 0.582 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.301 -17.907 -1.293 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.578 -17.432 -0.191 1.00 0.00 H new ATOM 0 HG SER A 2 13.549 -19.411 0.459 1.00 0.00 H new ATOM 29 N ALA A 3 13.522 -14.999 -1.969 1.00 0.00 N ATOM 30 CA ALA A 3 13.386 -14.256 -3.227 1.00 0.00 C ATOM 31 C ALA A 3 12.254 -13.233 -3.150 1.00 0.00 C ATOM 32 O ALA A 3 11.285 -13.292 -3.911 1.00 0.00 O ATOM 33 CB ALA A 3 13.180 -15.212 -4.394 1.00 0.00 C ATOM 0 H ALA A 3 14.481 -15.058 -1.626 1.00 0.00 H new ATOM 0 HA ALA A 3 14.313 -13.707 -3.394 1.00 0.00 H new ATOM 0 HB1 ALA A 3 13.081 -14.642 -5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 3 14.036 -15.882 -4.471 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.275 -15.797 -4.230 1.00 0.00 H new ATOM 39 N GLN A 4 12.386 -12.300 -2.222 1.00 0.00 N ATOM 40 CA GLN A 4 11.354 -11.303 -1.980 1.00 0.00 C ATOM 41 C GLN A 4 11.799 -9.930 -2.475 1.00 0.00 C ATOM 42 O GLN A 4 12.789 -9.812 -3.200 1.00 0.00 O ATOM 43 CB GLN A 4 11.016 -11.245 -0.490 1.00 0.00 C ATOM 44 CG GLN A 4 10.286 -12.478 0.009 1.00 0.00 C ATOM 45 CD GLN A 4 9.025 -12.767 -0.785 1.00 0.00 C ATOM 46 OE1 GLN A 4 8.060 -12.006 -0.739 1.00 0.00 O ATOM 47 NE2 GLN A 4 9.029 -13.861 -1.527 1.00 0.00 N ATOM 0 H GLN A 4 13.204 -12.211 -1.619 1.00 0.00 H new ATOM 0 HA GLN A 4 10.461 -11.592 -2.534 1.00 0.00 H new ATOM 0 HB2 GLN A 4 11.937 -11.121 0.080 1.00 0.00 H new ATOM 0 HB3 GLN A 4 10.402 -10.365 -0.298 1.00 0.00 H new ATOM 0 HG2 GLN A 4 10.952 -13.339 -0.047 1.00 0.00 H new ATOM 0 HG3 GLN A 4 10.027 -12.343 1.059 1.00 0.00 H new ATOM 0 HE21 GLN A 4 9.850 -14.467 -1.538 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.212 -14.099 -2.089 1.00 0.00 H new ATOM 56 N THR A 5 11.052 -8.900 -2.102 1.00 0.00 N ATOM 57 CA THR A 5 11.372 -7.535 -2.492 1.00 0.00 C ATOM 58 C THR A 5 12.590 -7.007 -1.730 1.00 0.00 C ATOM 59 O THR A 5 12.457 -6.255 -0.764 1.00 0.00 O ATOM 60 CB THR A 5 10.170 -6.610 -2.234 1.00 0.00 C ATOM 61 OG1 THR A 5 9.153 -7.327 -1.515 1.00 0.00 O ATOM 62 CG2 THR A 5 9.601 -6.086 -3.545 1.00 0.00 C ATOM 0 H THR A 5 10.215 -8.986 -1.526 1.00 0.00 H new ATOM 0 HA THR A 5 11.606 -7.544 -3.556 1.00 0.00 H new ATOM 0 HB THR A 5 10.507 -5.761 -1.640 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.948 -6.855 -0.681 1.00 0.00 H new ATOM 0 HG21 THR A 5 8.752 -5.434 -3.339 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.369 -5.524 -4.076 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.274 -6.924 -4.160 1.00 0.00 H new ATOM 70 N VAL A 6 13.776 -7.403 -2.176 1.00 0.00 N ATOM 71 CA VAL A 6 15.018 -6.987 -1.538 1.00 0.00 C ATOM 72 C VAL A 6 15.235 -5.479 -1.698 1.00 0.00 C ATOM 73 O VAL A 6 15.713 -4.808 -0.781 1.00 0.00 O ATOM 74 CB VAL A 6 16.233 -7.770 -2.104 1.00 0.00 C ATOM 75 CG1 VAL A 6 16.303 -7.662 -3.621 1.00 0.00 C ATOM 76 CG2 VAL A 6 17.531 -7.294 -1.467 1.00 0.00 C ATOM 0 H VAL A 6 13.903 -8.015 -2.982 1.00 0.00 H new ATOM 0 HA VAL A 6 14.934 -7.215 -0.475 1.00 0.00 H new ATOM 0 HB VAL A 6 16.096 -8.821 -1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 6 17.165 -8.221 -3.986 1.00 0.00 H new ATOM 0 HG12 VAL A 6 15.393 -8.073 -4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.402 -6.615 -3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 6 18.367 -7.858 -1.880 1.00 0.00 H new ATOM 0 HG22 VAL A 6 17.671 -6.233 -1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 6 17.486 -7.450 -0.389 1.00 0.00 H new ATOM 86 N SER A 7 14.853 -4.945 -2.849 1.00 0.00 N ATOM 87 CA SER A 7 14.999 -3.522 -3.110 1.00 0.00 C ATOM 88 C SER A 7 13.657 -2.807 -2.983 1.00 0.00 C ATOM 89 O SER A 7 13.487 -1.686 -3.463 1.00 0.00 O ATOM 90 CB SER A 7 15.586 -3.303 -4.503 1.00 0.00 C ATOM 91 OG SER A 7 16.398 -4.400 -4.894 1.00 0.00 O ATOM 0 H SER A 7 14.440 -5.476 -3.616 1.00 0.00 H new ATOM 0 HA SER A 7 15.679 -3.103 -2.368 1.00 0.00 H new ATOM 0 HB2 SER A 7 14.779 -3.169 -5.224 1.00 0.00 H new ATOM 0 HB3 SER A 7 16.177 -2.387 -4.512 1.00 0.00 H new ATOM 0 HG SER A 7 16.760 -4.236 -5.790 1.00 0.00 H new ATOM 97 N GLY A 8 12.709 -3.464 -2.332 1.00 0.00 N ATOM 98 CA GLY A 8 11.403 -2.879 -2.125 1.00 0.00 C ATOM 99 C GLY A 8 10.935 -3.059 -0.698 1.00 0.00 C ATOM 100 O GLY A 8 11.762 -3.179 0.209 1.00 0.00 O ATOM 0 H GLY A 8 12.824 -4.399 -1.941 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.437 -1.817 -2.367 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.686 -3.338 -2.805 1.00 0.00 H new ATOM 104 N PRO A 9 9.618 -3.088 -0.464 1.00 0.00 N ATOM 105 CA PRO A 9 9.057 -3.290 0.872 1.00 0.00 C ATOM 106 C PRO A 9 9.279 -4.711 1.376 1.00 0.00 C ATOM 107 O PRO A 9 8.868 -5.683 0.736 1.00 0.00 O ATOM 108 CB PRO A 9 7.556 -3.014 0.695 1.00 0.00 C ATOM 109 CG PRO A 9 7.416 -2.400 -0.659 1.00 0.00 C ATOM 110 CD PRO A 9 8.565 -2.920 -1.472 1.00 0.00 C ATOM 0 HA PRO A 9 9.530 -2.641 1.609 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.977 -3.935 0.769 1.00 0.00 H new ATOM 0 HB3 PRO A 9 7.187 -2.342 1.470 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.463 -2.671 -1.113 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.442 -1.312 -0.598 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.321 -3.861 -1.964 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.859 -2.219 -2.253 1.00 0.00 H new ATOM 118 N THR A 10 9.947 -4.827 2.514 1.00 0.00 N ATOM 119 CA THR A 10 10.213 -6.121 3.116 1.00 0.00 C ATOM 120 C THR A 10 8.987 -6.631 3.871 1.00 0.00 C ATOM 121 O THR A 10 7.991 -5.917 3.999 1.00 0.00 O ATOM 122 CB THR A 10 11.415 -6.035 4.071 1.00 0.00 C ATOM 123 OG1 THR A 10 11.423 -4.758 4.728 1.00 0.00 O ATOM 124 CG2 THR A 10 12.718 -6.225 3.313 1.00 0.00 C ATOM 0 H THR A 10 10.316 -4.035 3.040 1.00 0.00 H new ATOM 0 HA THR A 10 10.446 -6.822 2.315 1.00 0.00 H new ATOM 0 HB THR A 10 11.324 -6.828 4.813 1.00 0.00 H new ATOM 0 HG1 THR A 10 10.989 -4.838 5.603 1.00 0.00 H new ATOM 0 HG21 THR A 10 13.556 -6.160 4.007 1.00 0.00 H new ATOM 0 HG22 THR A 10 12.720 -7.203 2.832 1.00 0.00 H new ATOM 0 HG23 THR A 10 12.815 -5.448 2.555 1.00 0.00 H new ATOM 132 N GLU A 11 9.068 -7.862 4.375 1.00 0.00 N ATOM 133 CA GLU A 11 7.947 -8.497 5.063 1.00 0.00 C ATOM 134 C GLU A 11 7.460 -7.652 6.238 1.00 0.00 C ATOM 135 O GLU A 11 6.259 -7.432 6.402 1.00 0.00 O ATOM 136 CB GLU A 11 8.354 -9.885 5.555 1.00 0.00 C ATOM 137 CG GLU A 11 7.281 -10.939 5.355 1.00 0.00 C ATOM 138 CD GLU A 11 6.912 -11.643 6.643 1.00 0.00 C ATOM 139 OE1 GLU A 11 6.026 -11.144 7.367 1.00 0.00 O ATOM 140 OE2 GLU A 11 7.499 -12.705 6.929 1.00 0.00 O ATOM 0 H GLU A 11 9.905 -8.442 4.318 1.00 0.00 H new ATOM 0 HA GLU A 11 7.127 -8.588 4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.259 -10.196 5.032 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.602 -9.827 6.615 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.391 -10.472 4.933 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.629 -11.674 4.630 1.00 0.00 H new ATOM 147 N ASP A 12 8.402 -7.162 7.035 1.00 0.00 N ATOM 148 CA ASP A 12 8.077 -6.345 8.201 1.00 0.00 C ATOM 149 C ASP A 12 7.400 -5.040 7.784 1.00 0.00 C ATOM 150 O ASP A 12 6.489 -4.561 8.456 1.00 0.00 O ATOM 151 CB ASP A 12 9.340 -6.045 9.018 1.00 0.00 C ATOM 152 CG ASP A 12 10.330 -5.168 8.275 1.00 0.00 C ATOM 153 OD1 ASP A 12 10.631 -5.471 7.100 1.00 0.00 O ATOM 154 OD2 ASP A 12 10.813 -4.183 8.860 1.00 0.00 O ATOM 0 H ASP A 12 9.401 -7.316 6.896 1.00 0.00 H new ATOM 0 HA ASP A 12 7.382 -6.910 8.822 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.056 -5.555 9.949 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.824 -6.984 9.286 1.00 0.00 H new ATOM 159 N GLN A 13 7.833 -4.481 6.662 1.00 0.00 N ATOM 160 CA GLN A 13 7.244 -3.250 6.155 1.00 0.00 C ATOM 161 C GLN A 13 5.853 -3.521 5.606 1.00 0.00 C ATOM 162 O GLN A 13 4.934 -2.737 5.819 1.00 0.00 O ATOM 163 CB GLN A 13 8.123 -2.626 5.072 1.00 0.00 C ATOM 164 CG GLN A 13 9.469 -2.139 5.583 1.00 0.00 C ATOM 165 CD GLN A 13 9.367 -0.988 6.575 1.00 0.00 C ATOM 166 OE1 GLN A 13 10.337 -0.662 7.253 1.00 0.00 O ATOM 167 NE2 GLN A 13 8.200 -0.363 6.666 1.00 0.00 N ATOM 0 H GLN A 13 8.587 -4.859 6.088 1.00 0.00 H new ATOM 0 HA GLN A 13 7.170 -2.544 6.982 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.288 -3.360 4.283 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.590 -1.788 4.622 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.990 -2.971 6.057 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.077 -1.824 4.735 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.415 -0.661 6.087 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.088 0.416 7.315 1.00 0.00 H new ATOM 176 N VAL A 14 5.713 -4.643 4.908 1.00 0.00 N ATOM 177 CA VAL A 14 4.427 -5.061 4.366 1.00 0.00 C ATOM 178 C VAL A 14 3.417 -5.255 5.497 1.00 0.00 C ATOM 179 O VAL A 14 2.245 -4.919 5.359 1.00 0.00 O ATOM 180 CB VAL A 14 4.570 -6.368 3.549 1.00 0.00 C ATOM 181 CG1 VAL A 14 3.217 -7.015 3.288 1.00 0.00 C ATOM 182 CG2 VAL A 14 5.291 -6.097 2.235 1.00 0.00 C ATOM 0 H VAL A 14 6.481 -5.283 4.704 1.00 0.00 H new ATOM 0 HA VAL A 14 4.067 -4.278 3.698 1.00 0.00 H new ATOM 0 HB VAL A 14 5.163 -7.066 4.140 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.356 -7.930 2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.738 -7.253 4.238 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.586 -6.326 2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.384 -7.026 1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.722 -5.374 1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.284 -5.697 2.441 1.00 0.00 H new ATOM 192 N GLU A 15 3.896 -5.777 6.621 1.00 0.00 N ATOM 193 CA GLU A 15 3.071 -5.953 7.810 1.00 0.00 C ATOM 194 C GLU A 15 2.471 -4.616 8.252 1.00 0.00 C ATOM 195 O GLU A 15 1.260 -4.495 8.449 1.00 0.00 O ATOM 196 CB GLU A 15 3.923 -6.540 8.935 1.00 0.00 C ATOM 197 CG GLU A 15 3.138 -7.344 9.954 1.00 0.00 C ATOM 198 CD GLU A 15 3.913 -7.546 11.239 1.00 0.00 C ATOM 199 OE1 GLU A 15 4.938 -8.264 11.216 1.00 0.00 O ATOM 200 OE2 GLU A 15 3.505 -6.986 12.279 1.00 0.00 O ATOM 0 H GLU A 15 4.861 -6.088 6.733 1.00 0.00 H new ATOM 0 HA GLU A 15 2.254 -6.635 7.576 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.691 -7.178 8.499 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.437 -5.727 9.448 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.200 -6.834 10.173 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.881 -8.315 9.530 1.00 0.00 H new ATOM 207 N ILE A 16 3.334 -3.614 8.385 1.00 0.00 N ATOM 208 CA ILE A 16 2.918 -2.272 8.786 1.00 0.00 C ATOM 209 C ILE A 16 2.018 -1.638 7.723 1.00 0.00 C ATOM 210 O ILE A 16 1.022 -0.979 8.039 1.00 0.00 O ATOM 211 CB ILE A 16 4.150 -1.363 9.025 1.00 0.00 C ATOM 212 CG1 ILE A 16 5.022 -1.938 10.144 1.00 0.00 C ATOM 213 CG2 ILE A 16 3.727 0.062 9.366 1.00 0.00 C ATOM 214 CD1 ILE A 16 6.477 -1.543 10.037 1.00 0.00 C ATOM 0 H ILE A 16 4.336 -3.707 8.219 1.00 0.00 H new ATOM 0 HA ILE A 16 2.357 -2.366 9.716 1.00 0.00 H new ATOM 0 HB ILE A 16 4.730 -1.331 8.102 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.633 -1.604 11.106 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.947 -3.025 10.130 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.613 0.676 9.528 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.145 0.476 8.543 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.120 0.055 10.271 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.036 -1.985 10.862 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.883 -1.901 9.091 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.563 -0.457 10.081 1.00 0.00 H new ATOM 226 N LEU A 17 2.372 -1.858 6.463 1.00 0.00 N ATOM 227 CA LEU A 17 1.650 -1.270 5.343 1.00 0.00 C ATOM 228 C LEU A 17 0.259 -1.879 5.191 1.00 0.00 C ATOM 229 O LEU A 17 -0.724 -1.155 5.052 1.00 0.00 O ATOM 230 CB LEU A 17 2.443 -1.461 4.051 1.00 0.00 C ATOM 231 CG LEU A 17 3.661 -0.555 3.895 1.00 0.00 C ATOM 232 CD1 LEU A 17 4.585 -1.092 2.814 1.00 0.00 C ATOM 233 CD2 LEU A 17 3.232 0.865 3.567 1.00 0.00 C ATOM 0 H LEU A 17 3.161 -2.444 6.191 1.00 0.00 H new ATOM 0 HA LEU A 17 1.532 -0.205 5.545 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.773 -2.498 3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.775 -1.294 3.206 1.00 0.00 H new ATOM 0 HG LEU A 17 4.203 -0.541 4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.449 -0.435 2.715 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.920 -2.093 3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.050 -1.133 1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.114 1.496 3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.668 0.868 2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.606 1.251 4.371 1.00 0.00 H new ATOM 245 N GLU A 18 0.187 -3.206 5.224 1.00 0.00 N ATOM 246 CA GLU A 18 -1.072 -3.928 5.035 1.00 0.00 C ATOM 247 C GLU A 18 -2.116 -3.484 6.051 1.00 0.00 C ATOM 248 O GLU A 18 -3.261 -3.194 5.696 1.00 0.00 O ATOM 249 CB GLU A 18 -0.844 -5.434 5.159 1.00 0.00 C ATOM 250 CG GLU A 18 -1.046 -6.189 3.856 1.00 0.00 C ATOM 251 CD GLU A 18 -2.503 -6.279 3.452 1.00 0.00 C ATOM 252 OE1 GLU A 18 -3.375 -6.274 4.346 1.00 0.00 O ATOM 253 OE2 GLU A 18 -2.778 -6.361 2.238 1.00 0.00 O ATOM 0 H GLU A 18 0.993 -3.811 5.381 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.441 -3.699 4.035 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.170 -5.611 5.519 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.524 -5.835 5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.483 -5.695 3.064 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.638 -7.195 3.957 1.00 0.00 H new ATOM 260 N TYR A 19 -1.702 -3.427 7.309 1.00 0.00 N ATOM 261 CA TYR A 19 -2.573 -2.995 8.394 1.00 0.00 C ATOM 262 C TYR A 19 -3.148 -1.611 8.102 1.00 0.00 C ATOM 263 O TYR A 19 -4.332 -1.362 8.312 1.00 0.00 O ATOM 264 CB TYR A 19 -1.787 -2.995 9.713 1.00 0.00 C ATOM 265 CG TYR A 19 -2.315 -2.047 10.769 1.00 0.00 C ATOM 266 CD1 TYR A 19 -3.441 -2.365 11.519 1.00 0.00 C ATOM 267 CD2 TYR A 19 -1.683 -0.835 11.018 1.00 0.00 C ATOM 268 CE1 TYR A 19 -3.917 -1.504 12.488 1.00 0.00 C ATOM 269 CE2 TYR A 19 -2.152 0.028 11.986 1.00 0.00 C ATOM 270 CZ TYR A 19 -3.270 -0.309 12.716 1.00 0.00 C ATOM 271 OH TYR A 19 -3.734 0.549 13.687 1.00 0.00 O ATOM 0 H TYR A 19 -0.759 -3.677 7.606 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.408 -3.690 8.482 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.788 -4.006 10.120 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.749 -2.738 9.501 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.952 -3.300 11.341 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.809 -0.564 10.444 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.792 -1.766 13.064 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.645 0.964 12.171 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.164 1.345 13.720 1.00 0.00 H new ATOM 281 N ASN A 20 -2.308 -0.728 7.585 1.00 0.00 N ATOM 282 CA ASN A 20 -2.715 0.640 7.301 1.00 0.00 C ATOM 283 C ASN A 20 -3.614 0.706 6.066 1.00 0.00 C ATOM 284 O ASN A 20 -4.661 1.348 6.089 1.00 0.00 O ATOM 285 CB ASN A 20 -1.484 1.525 7.105 1.00 0.00 C ATOM 286 CG ASN A 20 -1.154 2.334 8.341 1.00 0.00 C ATOM 287 OD1 ASN A 20 -1.789 3.348 8.619 1.00 0.00 O ATOM 288 ND2 ASN A 20 -0.161 1.887 9.094 1.00 0.00 N ATOM 0 H ASN A 20 -1.337 -0.935 7.353 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.287 1.006 8.154 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.629 0.901 6.843 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.655 2.200 6.267 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.102 2.390 9.942 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.341 1.040 8.827 1.00 0.00 H new ATOM 295 N PHE A 21 -3.199 0.025 5.000 1.00 0.00 N ATOM 296 CA PHE A 21 -3.932 0.019 3.733 1.00 0.00 C ATOM 297 C PHE A 21 -5.359 -0.491 3.913 1.00 0.00 C ATOM 298 O PHE A 21 -6.304 0.046 3.333 1.00 0.00 O ATOM 299 CB PHE A 21 -3.179 -0.848 2.717 1.00 0.00 C ATOM 300 CG PHE A 21 -3.931 -1.155 1.448 1.00 0.00 C ATOM 301 CD1 PHE A 21 -4.734 -2.281 1.351 1.00 0.00 C ATOM 302 CD2 PHE A 21 -3.823 -0.320 0.348 1.00 0.00 C ATOM 303 CE1 PHE A 21 -5.415 -2.566 0.184 1.00 0.00 C ATOM 304 CE2 PHE A 21 -4.501 -0.601 -0.822 1.00 0.00 C ATOM 305 CZ PHE A 21 -5.299 -1.725 -0.904 1.00 0.00 C ATOM 0 H PHE A 21 -2.348 -0.537 4.988 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.997 1.043 3.366 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.248 -0.346 2.455 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.910 -1.789 3.197 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.828 -2.944 2.199 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.201 0.561 0.406 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.038 -3.446 0.123 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.407 0.058 -1.672 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.831 -1.945 -1.818 1.00 0.00 H new ATOM 315 N ASN A 22 -5.520 -1.515 4.727 1.00 0.00 N ATOM 316 CA ASN A 22 -6.826 -2.118 4.911 1.00 0.00 C ATOM 317 C ASN A 22 -7.634 -1.379 5.970 1.00 0.00 C ATOM 318 O ASN A 22 -8.829 -1.625 6.129 1.00 0.00 O ATOM 319 CB ASN A 22 -6.683 -3.593 5.281 1.00 0.00 C ATOM 320 CG ASN A 22 -6.965 -4.503 4.103 1.00 0.00 C ATOM 321 OD1 ASN A 22 -8.081 -4.538 3.583 1.00 0.00 O ATOM 322 ND2 ASN A 22 -5.961 -5.250 3.676 1.00 0.00 N ATOM 0 H ASN A 22 -4.770 -1.945 5.268 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.366 -2.043 3.967 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.674 -3.778 5.649 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.368 -3.831 6.095 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.096 -5.884 2.889 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.051 -5.192 4.134 1.00 0.00 H new ATOM 329 N LYS A 23 -6.992 -0.457 6.675 1.00 0.00 N ATOM 330 CA LYS A 23 -7.659 0.272 7.746 1.00 0.00 C ATOM 331 C LYS A 23 -7.886 1.735 7.379 1.00 0.00 C ATOM 332 O LYS A 23 -8.289 2.536 8.221 1.00 0.00 O ATOM 333 CB LYS A 23 -6.854 0.175 9.042 1.00 0.00 C ATOM 334 CG LYS A 23 -7.513 -0.691 10.104 1.00 0.00 C ATOM 335 CD LYS A 23 -7.379 -2.173 9.789 1.00 0.00 C ATOM 336 CE LYS A 23 -8.667 -2.926 10.086 1.00 0.00 C ATOM 337 NZ LYS A 23 -8.600 -4.342 9.632 1.00 0.00 N ATOM 0 H LYS A 23 -6.017 -0.197 6.526 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.635 -0.190 7.895 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.867 -0.228 8.817 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.705 1.177 9.443 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.061 -0.483 11.074 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.568 -0.430 10.182 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.116 -2.300 8.739 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.564 -2.598 10.375 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.865 -2.897 11.157 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.501 -2.426 9.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.497 -4.820 9.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.436 -4.370 8.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.820 -4.827 10.120 1.00 0.00 H new ATOM 351 N VAL A 24 -7.626 2.089 6.126 1.00 0.00 N ATOM 352 CA VAL A 24 -7.915 3.435 5.660 1.00 0.00 C ATOM 353 C VAL A 24 -9.233 3.443 4.887 1.00 0.00 C ATOM 354 O VAL A 24 -10.309 3.485 5.482 1.00 0.00 O ATOM 355 CB VAL A 24 -6.773 4.028 4.787 1.00 0.00 C ATOM 356 CG1 VAL A 24 -5.671 4.595 5.663 1.00 0.00 C ATOM 357 CG2 VAL A 24 -6.186 3.003 3.828 1.00 0.00 C ATOM 0 H VAL A 24 -7.221 1.470 5.424 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.998 4.071 6.541 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.215 4.827 4.191 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.881 5.005 5.034 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.078 5.384 6.295 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.261 3.803 6.290 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.393 3.466 3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.777 2.167 4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.967 2.641 3.160 1.00 0.00 H new ATOM 367 N ASN A 25 -9.138 3.391 3.568 1.00 0.00 N ATOM 368 CA ASN A 25 -10.304 3.315 2.691 1.00 0.00 C ATOM 369 C ASN A 25 -9.917 2.568 1.427 1.00 0.00 C ATOM 370 O ASN A 25 -10.514 2.769 0.367 1.00 0.00 O ATOM 371 CB ASN A 25 -10.834 4.712 2.306 1.00 0.00 C ATOM 372 CG ASN A 25 -10.225 5.852 3.102 1.00 0.00 C ATOM 373 OD1 ASN A 25 -10.754 6.247 4.144 1.00 0.00 O ATOM 374 ND2 ASN A 25 -9.109 6.388 2.626 1.00 0.00 N ATOM 0 H ASN A 25 -8.248 3.400 3.070 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.097 2.795 3.229 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.642 4.881 1.246 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.916 4.727 2.441 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.658 7.155 3.125 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.702 6.034 1.761 1.00 0.00 H new ATOM 381 N LYS A 26 -8.905 1.704 1.562 1.00 0.00 N ATOM 382 CA LYS A 26 -8.247 1.049 0.427 1.00 0.00 C ATOM 383 C LYS A 26 -7.465 2.076 -0.393 1.00 0.00 C ATOM 384 O LYS A 26 -6.261 1.941 -0.583 1.00 0.00 O ATOM 385 CB LYS A 26 -9.251 0.287 -0.450 1.00 0.00 C ATOM 386 CG LYS A 26 -9.745 -1.006 0.178 1.00 0.00 C ATOM 387 CD LYS A 26 -9.355 -2.217 -0.656 1.00 0.00 C ATOM 388 CE LYS A 26 -8.978 -3.407 0.214 1.00 0.00 C ATOM 389 NZ LYS A 26 -10.171 -4.084 0.784 1.00 0.00 N ATOM 0 H LYS A 26 -8.517 1.438 2.467 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.547 0.313 0.822 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.106 0.932 -0.655 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.785 0.061 -1.409 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.331 -1.106 1.181 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.829 -0.969 0.283 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.185 -2.492 -1.307 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.515 -1.958 -1.301 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.405 -4.121 -0.378 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.330 -3.072 1.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.043 -4.208 1.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.016 -3.504 0.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.290 -5.014 0.335 1.00 0.00 H new ATOM 403 N HIS A 27 -8.153 3.107 -0.865 1.00 0.00 N ATOM 404 CA HIS A 27 -7.498 4.232 -1.517 1.00 0.00 C ATOM 405 C HIS A 27 -6.829 5.106 -0.461 1.00 0.00 C ATOM 406 O HIS A 27 -7.500 5.628 0.431 1.00 0.00 O ATOM 407 CB HIS A 27 -8.511 5.057 -2.319 1.00 0.00 C ATOM 408 CG HIS A 27 -7.918 5.745 -3.512 1.00 0.00 C ATOM 409 ND1 HIS A 27 -7.456 7.044 -3.484 1.00 0.00 N ATOM 410 CD2 HIS A 27 -7.702 5.300 -4.773 1.00 0.00 C ATOM 411 CE1 HIS A 27 -6.983 7.365 -4.674 1.00 0.00 C ATOM 412 NE2 HIS A 27 -7.120 6.327 -5.473 1.00 0.00 N ATOM 0 H HIS A 27 -9.168 3.187 -0.808 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.745 3.853 -2.208 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.317 4.403 -2.651 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.957 5.805 -1.664 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.943 4.319 -5.156 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -6.556 8.319 -4.947 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.839 6.292 -6.453 1.00 0.00 H new ATOM 421 N PRO A 28 -5.499 5.261 -0.534 1.00 0.00 N ATOM 422 CA PRO A 28 -4.735 6.016 0.464 1.00 0.00 C ATOM 423 C PRO A 28 -5.035 7.510 0.430 1.00 0.00 C ATOM 424 O PRO A 28 -5.186 8.104 -0.639 1.00 0.00 O ATOM 425 CB PRO A 28 -3.277 5.754 0.074 1.00 0.00 C ATOM 426 CG PRO A 28 -3.324 5.419 -1.376 1.00 0.00 C ATOM 427 CD PRO A 28 -4.630 4.711 -1.593 1.00 0.00 C ATOM 0 HA PRO A 28 -4.983 5.704 1.479 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.655 6.630 0.257 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.853 4.935 0.655 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.262 6.319 -1.987 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.484 4.784 -1.658 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.033 4.908 -2.586 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.521 3.630 -1.502 1.00 0.00 H new ATOM 435 N ASP A 29 -5.122 8.110 1.606 1.00 0.00 N ATOM 436 CA ASP A 29 -5.359 9.543 1.730 1.00 0.00 C ATOM 437 C ASP A 29 -4.034 10.289 1.631 1.00 0.00 C ATOM 438 O ASP A 29 -2.965 9.690 1.783 1.00 0.00 O ATOM 439 CB ASP A 29 -6.011 9.868 3.081 1.00 0.00 C ATOM 440 CG ASP A 29 -7.516 9.704 3.088 1.00 0.00 C ATOM 441 OD1 ASP A 29 -8.220 10.601 2.577 1.00 0.00 O ATOM 442 OD2 ASP A 29 -8.003 8.688 3.633 1.00 0.00 O ATOM 0 H ASP A 29 -5.031 7.623 2.498 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.027 9.853 0.927 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.581 9.222 3.846 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.765 10.894 3.355 1.00 0.00 H new ATOM 447 N PRO A 30 -4.074 11.602 1.365 1.00 0.00 N ATOM 448 CA PRO A 30 -2.879 12.445 1.433 1.00 0.00 C ATOM 449 C PRO A 30 -2.300 12.463 2.848 1.00 0.00 C ATOM 450 O PRO A 30 -1.088 12.592 3.044 1.00 0.00 O ATOM 451 CB PRO A 30 -3.385 13.837 1.034 1.00 0.00 C ATOM 452 CG PRO A 30 -4.867 13.784 1.202 1.00 0.00 C ATOM 453 CD PRO A 30 -5.267 12.360 0.951 1.00 0.00 C ATOM 0 HA PRO A 30 -2.078 12.086 0.787 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.946 14.610 1.664 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.115 14.073 0.005 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.156 14.098 2.205 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.362 14.457 0.502 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.145 12.079 1.532 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.510 12.188 -0.097 1.00 0.00 H new ATOM 461 N THR A 31 -3.182 12.304 3.829 1.00 0.00 N ATOM 462 CA THR A 31 -2.793 12.259 5.226 1.00 0.00 C ATOM 463 C THR A 31 -1.976 11.004 5.522 1.00 0.00 C ATOM 464 O THR A 31 -0.968 11.062 6.229 1.00 0.00 O ATOM 465 CB THR A 31 -4.036 12.270 6.130 1.00 0.00 C ATOM 466 OG1 THR A 31 -5.203 12.002 5.340 1.00 0.00 O ATOM 467 CG2 THR A 31 -4.194 13.609 6.833 1.00 0.00 C ATOM 0 H THR A 31 -4.185 12.203 3.674 1.00 0.00 H new ATOM 0 HA THR A 31 -2.184 13.140 5.429 1.00 0.00 H new ATOM 0 HB THR A 31 -3.914 11.498 6.890 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.509 12.831 4.917 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.082 13.586 7.465 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.315 13.803 7.448 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.298 14.400 6.090 1.00 0.00 H new ATOM 475 N THR A 32 -2.404 9.877 4.957 1.00 0.00 N ATOM 476 CA THR A 32 -1.744 8.601 5.186 1.00 0.00 C ATOM 477 C THR A 32 -0.304 8.638 4.699 1.00 0.00 C ATOM 478 O THR A 32 0.613 8.262 5.429 1.00 0.00 O ATOM 479 CB THR A 32 -2.484 7.459 4.466 1.00 0.00 C ATOM 480 OG1 THR A 32 -3.812 7.876 4.122 1.00 0.00 O ATOM 481 CG2 THR A 32 -2.539 6.211 5.335 1.00 0.00 C ATOM 0 H THR A 32 -3.210 9.826 4.334 1.00 0.00 H new ATOM 0 HA THR A 32 -1.758 8.419 6.261 1.00 0.00 H new ATOM 0 HB THR A 32 -1.935 7.217 3.556 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.359 7.928 4.933 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.067 5.420 4.803 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.525 5.881 5.563 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.064 6.437 6.263 1.00 0.00 H new ATOM 489 N LEU A 33 -0.111 9.115 3.475 1.00 0.00 N ATOM 490 CA LEU A 33 1.213 9.164 2.871 1.00 0.00 C ATOM 491 C LEU A 33 2.178 9.981 3.725 1.00 0.00 C ATOM 492 O LEU A 33 3.350 9.640 3.849 1.00 0.00 O ATOM 493 CB LEU A 33 1.133 9.750 1.462 1.00 0.00 C ATOM 494 CG LEU A 33 0.479 8.844 0.416 1.00 0.00 C ATOM 495 CD1 LEU A 33 0.628 9.443 -0.970 1.00 0.00 C ATOM 496 CD2 LEU A 33 1.082 7.447 0.458 1.00 0.00 C ATOM 0 H LEU A 33 -0.858 9.474 2.880 1.00 0.00 H new ATOM 0 HA LEU A 33 1.592 8.144 2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.578 10.687 1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.142 9.993 1.129 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.583 8.765 0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.158 8.787 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.147 10.421 -0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.686 9.552 -1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.602 6.821 -0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.151 7.506 0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.926 7.013 1.445 1.00 0.00 H new ATOM 508 N CYS A 34 1.681 11.056 4.311 1.00 0.00 N ATOM 509 CA CYS A 34 2.511 11.904 5.148 1.00 0.00 C ATOM 510 C CYS A 34 2.776 11.269 6.516 1.00 0.00 C ATOM 511 O CYS A 34 3.932 11.127 6.927 1.00 0.00 O ATOM 512 CB CYS A 34 1.856 13.273 5.318 1.00 0.00 C ATOM 513 SG CYS A 34 1.446 14.086 3.756 1.00 0.00 S ATOM 0 H CYS A 34 0.712 11.361 4.224 1.00 0.00 H new ATOM 0 HA CYS A 34 3.473 12.023 4.650 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.946 13.159 5.907 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.526 13.918 5.887 1.00 0.00 H new ATOM 0 HG CYS A 34 0.273 13.693 3.357 1.00 0.00 H new ATOM 519 N LEU A 35 1.714 10.857 7.202 1.00 0.00 N ATOM 520 CA LEU A 35 1.830 10.418 8.590 1.00 0.00 C ATOM 521 C LEU A 35 2.391 8.992 8.724 1.00 0.00 C ATOM 522 O LEU A 35 3.340 8.775 9.476 1.00 0.00 O ATOM 523 CB LEU A 35 0.477 10.570 9.315 1.00 0.00 C ATOM 524 CG LEU A 35 -0.355 9.297 9.499 1.00 0.00 C ATOM 525 CD1 LEU A 35 -0.343 8.855 10.956 1.00 0.00 C ATOM 526 CD2 LEU A 35 -1.783 9.523 9.020 1.00 0.00 C ATOM 0 H LEU A 35 0.768 10.818 6.823 1.00 0.00 H new ATOM 0 HA LEU A 35 2.559 11.068 9.074 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.665 10.998 10.300 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.125 11.292 8.763 1.00 0.00 H new ATOM 0 HG LEU A 35 0.090 8.504 8.898 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.939 7.949 11.066 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.682 8.654 11.267 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.763 9.644 11.579 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.362 8.610 9.157 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.237 10.330 9.596 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.774 9.792 7.964 1.00 0.00 H new ATOM 538 N ILE A 36 1.843 8.031 7.983 1.00 0.00 N ATOM 539 CA ILE A 36 2.201 6.628 8.197 1.00 0.00 C ATOM 540 C ILE A 36 3.559 6.285 7.595 1.00 0.00 C ATOM 541 O ILE A 36 4.223 5.354 8.050 1.00 0.00 O ATOM 542 CB ILE A 36 1.128 5.646 7.669 1.00 0.00 C ATOM 543 CG1 ILE A 36 1.277 5.402 6.165 1.00 0.00 C ATOM 544 CG2 ILE A 36 -0.264 6.158 7.992 1.00 0.00 C ATOM 545 CD1 ILE A 36 1.327 3.936 5.796 1.00 0.00 C ATOM 0 H ILE A 36 1.161 8.192 7.242 1.00 0.00 H new ATOM 0 HA ILE A 36 2.259 6.507 9.279 1.00 0.00 H new ATOM 0 HB ILE A 36 1.276 4.691 8.173 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.443 5.872 5.644 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.187 5.889 5.814 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.007 5.456 7.614 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.374 6.256 9.072 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.412 7.130 7.522 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.433 3.836 4.716 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.177 3.465 6.289 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.406 3.449 6.117 1.00 0.00 H new ATOM 557 N ALA A 37 3.977 7.032 6.580 1.00 0.00 N ATOM 558 CA ALA A 37 5.286 6.818 5.983 1.00 0.00 C ATOM 559 C ALA A 37 6.375 7.102 7.006 1.00 0.00 C ATOM 560 O ALA A 37 7.350 6.362 7.115 1.00 0.00 O ATOM 561 CB ALA A 37 5.469 7.686 4.750 1.00 0.00 C ATOM 0 H ALA A 37 3.433 7.784 6.157 1.00 0.00 H new ATOM 0 HA ALA A 37 5.359 5.776 5.671 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.456 7.507 4.322 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.704 7.438 4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.379 8.736 5.028 1.00 0.00 H new ATOM 567 N ALA A 38 6.174 8.160 7.784 1.00 0.00 N ATOM 568 CA ALA A 38 7.118 8.538 8.825 1.00 0.00 C ATOM 569 C ALA A 38 7.091 7.533 9.971 1.00 0.00 C ATOM 570 O ALA A 38 8.089 7.329 10.657 1.00 0.00 O ATOM 571 CB ALA A 38 6.803 9.936 9.337 1.00 0.00 C ATOM 0 H ALA A 38 5.362 8.772 7.711 1.00 0.00 H new ATOM 0 HA ALA A 38 8.120 8.538 8.397 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.516 10.208 10.115 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.874 10.649 8.515 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.793 9.954 9.747 1.00 0.00 H new ATOM 577 N GLU A 39 5.939 6.904 10.164 1.00 0.00 N ATOM 578 CA GLU A 39 5.774 5.904 11.210 1.00 0.00 C ATOM 579 C GLU A 39 6.440 4.588 10.816 1.00 0.00 C ATOM 580 O GLU A 39 7.011 3.892 11.655 1.00 0.00 O ATOM 581 CB GLU A 39 4.288 5.670 11.482 1.00 0.00 C ATOM 582 CG GLU A 39 3.934 5.660 12.959 1.00 0.00 C ATOM 583 CD GLU A 39 2.611 6.336 13.244 1.00 0.00 C ATOM 584 OE1 GLU A 39 1.585 5.899 12.687 1.00 0.00 O ATOM 585 OE2 GLU A 39 2.596 7.307 14.032 1.00 0.00 O ATOM 0 H GLU A 39 5.101 7.070 9.606 1.00 0.00 H new ATOM 0 HA GLU A 39 6.253 6.277 12.115 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.709 6.448 10.984 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.992 4.719 11.040 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.895 4.630 13.313 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.722 6.161 13.521 1.00 0.00 H new ATOM 592 N ALA A 40 6.363 4.254 9.536 1.00 0.00 N ATOM 593 CA ALA A 40 6.928 3.008 9.036 1.00 0.00 C ATOM 594 C ALA A 40 8.389 3.180 8.638 1.00 0.00 C ATOM 595 O ALA A 40 9.086 2.200 8.371 1.00 0.00 O ATOM 596 CB ALA A 40 6.118 2.505 7.851 1.00 0.00 C ATOM 0 H ALA A 40 5.914 4.829 8.823 1.00 0.00 H new ATOM 0 HA ALA A 40 6.884 2.273 9.840 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.549 1.573 7.485 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.088 2.331 8.162 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.136 3.250 7.056 1.00 0.00 H new ATOM 602 N GLY A 41 8.841 4.428 8.587 1.00 0.00 N ATOM 603 CA GLY A 41 10.207 4.712 8.186 1.00 0.00 C ATOM 604 C GLY A 41 10.407 4.541 6.694 1.00 0.00 C ATOM 605 O GLY A 41 11.511 4.252 6.230 1.00 0.00 O ATOM 0 H GLY A 41 8.284 5.251 8.817 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.464 5.732 8.472 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.887 4.050 8.721 1.00 0.00 H new ATOM 609 N LEU A 42 9.334 4.731 5.939 1.00 0.00 N ATOM 610 CA LEU A 42 9.362 4.520 4.500 1.00 0.00 C ATOM 611 C LEU A 42 9.358 5.853 3.771 1.00 0.00 C ATOM 612 O LEU A 42 8.760 6.822 4.237 1.00 0.00 O ATOM 613 CB LEU A 42 8.161 3.677 4.061 1.00 0.00 C ATOM 614 CG LEU A 42 8.346 2.161 4.171 1.00 0.00 C ATOM 615 CD1 LEU A 42 7.203 1.440 3.477 1.00 0.00 C ATOM 616 CD2 LEU A 42 9.683 1.733 3.582 1.00 0.00 C ATOM 0 H LEU A 42 8.430 5.032 6.302 1.00 0.00 H new ATOM 0 HA LEU A 42 10.277 3.984 4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.298 3.965 4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.925 3.923 3.026 1.00 0.00 H new ATOM 0 HG LEU A 42 8.340 1.891 5.227 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.347 0.363 3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.259 1.718 3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.182 1.721 2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.791 0.652 3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.724 2.015 2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.492 2.225 4.122 1.00 0.00 H new ATOM 628 N THR A 43 10.029 5.897 2.633 1.00 0.00 N ATOM 629 CA THR A 43 10.120 7.112 1.846 1.00 0.00 C ATOM 630 C THR A 43 8.888 7.281 0.955 1.00 0.00 C ATOM 631 O THR A 43 8.086 6.354 0.814 1.00 0.00 O ATOM 632 CB THR A 43 11.393 7.096 0.988 1.00 0.00 C ATOM 633 OG1 THR A 43 11.891 5.752 0.886 1.00 0.00 O ATOM 634 CG2 THR A 43 12.461 7.993 1.599 1.00 0.00 C ATOM 0 H THR A 43 10.522 5.099 2.232 1.00 0.00 H new ATOM 0 HA THR A 43 10.165 7.958 2.532 1.00 0.00 H new ATOM 0 HB THR A 43 11.148 7.471 -0.006 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.931 5.489 -0.057 1.00 0.00 H new ATOM 0 HG21 THR A 43 13.356 7.969 0.977 1.00 0.00 H new ATOM 0 HG22 THR A 43 12.087 9.015 1.658 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.705 7.638 2.600 1.00 0.00 H new ATOM 642 N GLU A 44 8.766 8.461 0.345 1.00 0.00 N ATOM 643 CA GLU A 44 7.597 8.831 -0.453 1.00 0.00 C ATOM 644 C GLU A 44 7.284 7.797 -1.532 1.00 0.00 C ATOM 645 O GLU A 44 6.125 7.430 -1.733 1.00 0.00 O ATOM 646 CB GLU A 44 7.826 10.194 -1.109 1.00 0.00 C ATOM 647 CG GLU A 44 6.862 11.269 -0.642 1.00 0.00 C ATOM 648 CD GLU A 44 6.392 12.163 -1.772 1.00 0.00 C ATOM 649 OE1 GLU A 44 7.131 12.313 -2.773 1.00 0.00 O ATOM 650 OE2 GLU A 44 5.283 12.726 -1.660 1.00 0.00 O ATOM 0 H GLU A 44 9.478 9.190 0.391 1.00 0.00 H new ATOM 0 HA GLU A 44 6.744 8.876 0.224 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.846 10.519 -0.903 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.739 10.086 -2.190 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.998 10.798 -0.173 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.346 11.879 0.121 1.00 0.00 H new ATOM 657 N GLU A 45 8.317 7.333 -2.224 1.00 0.00 N ATOM 658 CA GLU A 45 8.134 6.381 -3.316 1.00 0.00 C ATOM 659 C GLU A 45 7.576 5.054 -2.811 1.00 0.00 C ATOM 660 O GLU A 45 6.651 4.498 -3.404 1.00 0.00 O ATOM 661 CB GLU A 45 9.451 6.140 -4.060 1.00 0.00 C ATOM 662 CG GLU A 45 10.689 6.567 -3.292 1.00 0.00 C ATOM 663 CD GLU A 45 11.607 5.406 -2.977 1.00 0.00 C ATOM 664 OE1 GLU A 45 11.895 4.605 -3.888 1.00 0.00 O ATOM 665 OE2 GLU A 45 12.050 5.292 -1.811 1.00 0.00 O ATOM 0 H GLU A 45 9.287 7.598 -2.051 1.00 0.00 H new ATOM 0 HA GLU A 45 7.413 6.818 -4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.532 5.079 -4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.423 6.677 -5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.235 7.310 -3.874 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.387 7.049 -2.362 1.00 0.00 H new ATOM 672 N GLN A 46 8.120 4.570 -1.697 1.00 0.00 N ATOM 673 CA GLN A 46 7.752 3.261 -1.161 1.00 0.00 C ATOM 674 C GLN A 46 6.268 3.195 -0.817 1.00 0.00 C ATOM 675 O GLN A 46 5.565 2.275 -1.238 1.00 0.00 O ATOM 676 CB GLN A 46 8.579 2.938 0.085 1.00 0.00 C ATOM 677 CG GLN A 46 10.053 3.275 -0.058 1.00 0.00 C ATOM 678 CD GLN A 46 10.850 2.165 -0.714 1.00 0.00 C ATOM 679 OE1 GLN A 46 10.595 0.984 -0.496 1.00 0.00 O ATOM 680 NE2 GLN A 46 11.822 2.542 -1.526 1.00 0.00 N ATOM 0 H GLN A 46 8.820 5.067 -1.146 1.00 0.00 H new ATOM 0 HA GLN A 46 7.960 2.523 -1.936 1.00 0.00 H new ATOM 0 HB2 GLN A 46 8.170 3.486 0.934 1.00 0.00 H new ATOM 0 HB3 GLN A 46 8.478 1.877 0.313 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.157 4.187 -0.646 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.471 3.482 0.927 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.002 3.534 -1.680 1.00 0.00 H new ATOM 0 HE22 GLN A 46 12.393 1.841 -1.998 1.00 0.00 H new ATOM 689 N THR A 47 5.796 4.177 -0.059 1.00 0.00 N ATOM 690 CA THR A 47 4.415 4.191 0.394 1.00 0.00 C ATOM 691 C THR A 47 3.447 4.302 -0.781 1.00 0.00 C ATOM 692 O THR A 47 2.480 3.548 -0.867 1.00 0.00 O ATOM 693 CB THR A 47 4.164 5.354 1.368 1.00 0.00 C ATOM 694 OG1 THR A 47 5.394 6.038 1.626 1.00 0.00 O ATOM 695 CG2 THR A 47 3.579 4.849 2.677 1.00 0.00 C ATOM 0 H THR A 47 6.351 4.973 0.254 1.00 0.00 H new ATOM 0 HA THR A 47 4.239 3.247 0.910 1.00 0.00 H new ATOM 0 HB THR A 47 3.449 6.038 0.911 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.203 6.937 1.967 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.411 5.691 3.349 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.632 4.345 2.482 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.274 4.149 3.140 1.00 0.00 H new ATOM 703 N GLN A 48 3.724 5.232 -1.691 1.00 0.00 N ATOM 704 CA GLN A 48 2.853 5.461 -2.836 1.00 0.00 C ATOM 705 C GLN A 48 2.792 4.231 -3.732 1.00 0.00 C ATOM 706 O GLN A 48 1.711 3.773 -4.107 1.00 0.00 O ATOM 707 CB GLN A 48 3.347 6.655 -3.651 1.00 0.00 C ATOM 708 CG GLN A 48 3.089 7.994 -2.992 1.00 0.00 C ATOM 709 CD GLN A 48 3.679 9.145 -3.777 1.00 0.00 C ATOM 710 OE1 GLN A 48 2.964 9.912 -4.420 1.00 0.00 O ATOM 711 NE2 GLN A 48 4.991 9.269 -3.730 1.00 0.00 N ATOM 0 H GLN A 48 4.544 5.838 -1.656 1.00 0.00 H new ATOM 0 HA GLN A 48 1.853 5.669 -2.455 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.418 6.546 -3.825 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.863 6.642 -4.627 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.014 8.143 -2.886 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.511 7.989 -1.987 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.546 8.610 -3.184 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.451 10.024 -4.240 1.00 0.00 H new ATOM 720 N LYS A 49 3.962 3.696 -4.062 1.00 0.00 N ATOM 721 CA LYS A 49 4.057 2.558 -4.967 1.00 0.00 C ATOM 722 C LYS A 49 3.302 1.351 -4.420 1.00 0.00 C ATOM 723 O LYS A 49 2.526 0.723 -5.140 1.00 0.00 O ATOM 724 CB LYS A 49 5.522 2.193 -5.217 1.00 0.00 C ATOM 725 CG LYS A 49 5.714 1.050 -6.204 1.00 0.00 C ATOM 726 CD LYS A 49 5.668 1.538 -7.643 1.00 0.00 C ATOM 727 CE LYS A 49 5.804 0.387 -8.630 1.00 0.00 C ATOM 728 NZ LYS A 49 4.588 0.231 -9.474 1.00 0.00 N ATOM 0 H LYS A 49 4.860 4.034 -3.715 1.00 0.00 H new ATOM 0 HA LYS A 49 3.597 2.846 -5.912 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.047 3.073 -5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.986 1.922 -4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.670 0.563 -6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.938 0.300 -6.049 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.728 2.061 -7.820 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.470 2.257 -7.810 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.670 0.558 -9.270 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.988 -0.539 -8.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.722 -0.563 -10.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.765 0.042 -8.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.426 1.105 -10.014 1.00 0.00 H new ATOM 742 N TRP A 50 3.518 1.040 -3.146 1.00 0.00 N ATOM 743 CA TRP A 50 2.896 -0.127 -2.542 1.00 0.00 C ATOM 744 C TRP A 50 1.380 0.039 -2.445 1.00 0.00 C ATOM 745 O TRP A 50 0.632 -0.829 -2.893 1.00 0.00 O ATOM 746 CB TRP A 50 3.488 -0.413 -1.157 1.00 0.00 C ATOM 747 CG TRP A 50 2.934 -1.664 -0.539 1.00 0.00 C ATOM 748 CD1 TRP A 50 3.416 -2.935 -0.669 1.00 0.00 C ATOM 749 CD2 TRP A 50 1.778 -1.760 0.294 1.00 0.00 C ATOM 750 NE1 TRP A 50 2.626 -3.811 0.031 1.00 0.00 N ATOM 751 CE2 TRP A 50 1.614 -3.114 0.630 1.00 0.00 C ATOM 752 CE3 TRP A 50 0.863 -0.828 0.785 1.00 0.00 C ATOM 753 CZ2 TRP A 50 0.572 -3.559 1.434 1.00 0.00 C ATOM 754 CZ3 TRP A 50 -0.166 -1.267 1.579 1.00 0.00 C ATOM 755 CH2 TRP A 50 -0.310 -2.624 1.897 1.00 0.00 C ATOM 0 H TRP A 50 4.115 1.577 -2.518 1.00 0.00 H new ATOM 0 HA TRP A 50 3.105 -0.978 -3.190 1.00 0.00 H new ATOM 0 HB2 TRP A 50 4.571 -0.502 -1.240 1.00 0.00 H new ATOM 0 HB3 TRP A 50 3.288 0.432 -0.499 1.00 0.00 H new ATOM 0 HD1 TRP A 50 4.291 -3.210 -1.239 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.770 -4.819 0.094 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.963 0.220 0.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.463 -4.604 1.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.878 -0.553 1.966 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.134 -2.937 2.520 1.00 0.00 H new ATOM 766 N PHE A 51 0.925 1.155 -1.870 1.00 0.00 N ATOM 767 CA PHE A 51 -0.509 1.385 -1.677 1.00 0.00 C ATOM 768 C PHE A 51 -1.250 1.287 -3.009 1.00 0.00 C ATOM 769 O PHE A 51 -2.295 0.639 -3.109 1.00 0.00 O ATOM 770 CB PHE A 51 -0.757 2.760 -1.052 1.00 0.00 C ATOM 771 CG PHE A 51 -0.805 2.750 0.452 1.00 0.00 C ATOM 772 CD1 PHE A 51 0.357 2.873 1.191 1.00 0.00 C ATOM 773 CD2 PHE A 51 -2.014 2.636 1.129 1.00 0.00 C ATOM 774 CE1 PHE A 51 0.323 2.877 2.572 1.00 0.00 C ATOM 775 CE2 PHE A 51 -2.055 2.638 2.511 1.00 0.00 C ATOM 776 CZ PHE A 51 -0.885 2.764 3.234 1.00 0.00 C ATOM 0 H PHE A 51 1.524 1.909 -1.532 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.885 0.617 -1.001 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.030 3.442 -1.375 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.699 3.156 -1.433 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.305 2.967 0.681 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.933 2.545 0.568 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.240 2.968 3.134 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.000 2.541 3.024 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.914 2.774 4.314 1.00 0.00 H new ATOM 786 N LYS A 52 -0.683 1.915 -4.033 1.00 0.00 N ATOM 787 CA LYS A 52 -1.276 1.915 -5.366 1.00 0.00 C ATOM 788 C LYS A 52 -1.216 0.525 -5.999 1.00 0.00 C ATOM 789 O LYS A 52 -2.103 0.144 -6.762 1.00 0.00 O ATOM 790 CB LYS A 52 -0.556 2.927 -6.261 1.00 0.00 C ATOM 791 CG LYS A 52 -1.460 3.590 -7.285 1.00 0.00 C ATOM 792 CD LYS A 52 -0.950 4.969 -7.668 1.00 0.00 C ATOM 793 CE LYS A 52 0.359 4.893 -8.439 1.00 0.00 C ATOM 794 NZ LYS A 52 0.149 5.053 -9.902 1.00 0.00 N ATOM 0 H LYS A 52 0.192 2.434 -3.965 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.324 2.199 -5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.106 3.697 -5.634 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.259 2.423 -6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.523 2.964 -8.175 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.469 3.673 -6.881 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.700 5.478 -8.274 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.807 5.567 -6.768 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.036 5.669 -8.082 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.841 3.935 -8.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.064 4.995 -10.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.477 4.298 -10.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.287 5.978 -10.091 1.00 0.00 H new ATOM 808 N GLN A 53 -0.169 -0.229 -5.681 1.00 0.00 N ATOM 809 CA GLN A 53 0.006 -1.568 -6.234 1.00 0.00 C ATOM 810 C GLN A 53 -1.041 -2.522 -5.664 1.00 0.00 C ATOM 811 O GLN A 53 -1.570 -3.378 -6.374 1.00 0.00 O ATOM 812 CB GLN A 53 1.438 -2.074 -5.968 1.00 0.00 C ATOM 813 CG GLN A 53 1.534 -3.335 -5.115 1.00 0.00 C ATOM 814 CD GLN A 53 2.887 -4.013 -5.233 1.00 0.00 C ATOM 815 OE1 GLN A 53 3.928 -3.359 -5.206 1.00 0.00 O ATOM 816 NE2 GLN A 53 2.884 -5.329 -5.366 1.00 0.00 N ATOM 0 H GLN A 53 0.571 0.064 -5.043 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.138 -1.527 -7.314 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.922 -2.265 -6.926 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.002 -1.280 -5.478 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.349 -3.079 -4.072 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.753 -4.034 -5.415 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.000 -5.838 -5.384 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.766 -5.835 -5.450 1.00 0.00 H new ATOM 825 N ARG A 54 -1.362 -2.347 -4.389 1.00 0.00 N ATOM 826 CA ARG A 54 -2.341 -3.201 -3.733 1.00 0.00 C ATOM 827 C ARG A 54 -3.745 -2.873 -4.214 1.00 0.00 C ATOM 828 O ARG A 54 -4.612 -3.738 -4.238 1.00 0.00 O ATOM 829 CB ARG A 54 -2.262 -3.052 -2.216 1.00 0.00 C ATOM 830 CG ARG A 54 -0.866 -3.254 -1.662 1.00 0.00 C ATOM 831 CD ARG A 54 -0.418 -4.704 -1.761 1.00 0.00 C ATOM 832 NE ARG A 54 -1.104 -5.551 -0.791 1.00 0.00 N ATOM 833 CZ ARG A 54 -1.766 -6.667 -1.111 1.00 0.00 C ATOM 834 NH1 ARG A 54 -1.759 -7.118 -2.360 1.00 0.00 N ATOM 835 NH2 ARG A 54 -2.429 -7.337 -0.179 1.00 0.00 N ATOM 0 H ARG A 54 -0.960 -1.625 -3.791 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.112 -4.234 -3.993 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.615 -2.059 -1.937 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.936 -3.772 -1.752 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.165 -2.620 -2.205 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.840 -2.937 -0.619 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.610 -5.076 -2.768 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.658 -4.764 -1.599 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.077 -5.275 0.190 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.246 -6.612 -3.082 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.266 -7.970 -2.597 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.434 -7.001 0.784 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.934 -8.189 -0.425 1.00 0.00 H new ATOM 849 N LEU A 55 -3.961 -1.622 -4.605 1.00 0.00 N ATOM 850 CA LEU A 55 -5.244 -1.207 -5.164 1.00 0.00 C ATOM 851 C LEU A 55 -5.522 -1.970 -6.454 1.00 0.00 C ATOM 852 O LEU A 55 -6.663 -2.323 -6.757 1.00 0.00 O ATOM 853 CB LEU A 55 -5.246 0.298 -5.438 1.00 0.00 C ATOM 854 CG LEU A 55 -5.631 1.176 -4.247 1.00 0.00 C ATOM 855 CD1 LEU A 55 -5.118 2.594 -4.448 1.00 0.00 C ATOM 856 CD2 LEU A 55 -7.138 1.171 -4.049 1.00 0.00 C ATOM 0 H LEU A 55 -3.266 -0.878 -4.546 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.027 -1.431 -4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.253 0.590 -5.778 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.936 0.501 -6.257 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.168 0.768 -3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.400 3.208 -3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.032 2.578 -4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.554 3.014 -5.354 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.395 1.801 -3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.624 1.557 -4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.477 0.152 -3.862 1.00 0.00 H new ATOM 868 N ALA A 56 -4.464 -2.220 -7.210 1.00 0.00 N ATOM 869 CA ALA A 56 -4.564 -2.986 -8.442 1.00 0.00 C ATOM 870 C ALA A 56 -4.745 -4.475 -8.150 1.00 0.00 C ATOM 871 O ALA A 56 -5.584 -5.143 -8.758 1.00 0.00 O ATOM 872 CB ALA A 56 -3.330 -2.753 -9.300 1.00 0.00 C ATOM 0 H ALA A 56 -3.521 -1.901 -6.990 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.443 -2.646 -8.989 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.413 -3.330 -10.221 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.250 -1.693 -9.542 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.442 -3.068 -8.753 1.00 0.00 H new ATOM 878 N GLU A 57 -3.959 -4.984 -7.206 1.00 0.00 N ATOM 879 CA GLU A 57 -3.979 -6.404 -6.862 1.00 0.00 C ATOM 880 C GLU A 57 -5.282 -6.800 -6.174 1.00 0.00 C ATOM 881 O GLU A 57 -5.818 -7.879 -6.426 1.00 0.00 O ATOM 882 CB GLU A 57 -2.798 -6.741 -5.954 1.00 0.00 C ATOM 883 CG GLU A 57 -1.451 -6.651 -6.649 1.00 0.00 C ATOM 884 CD GLU A 57 -0.291 -6.696 -5.680 1.00 0.00 C ATOM 885 OE1 GLU A 57 -0.464 -6.284 -4.517 1.00 0.00 O ATOM 886 OE2 GLU A 57 0.802 -7.153 -6.077 1.00 0.00 O ATOM 0 H GLU A 57 -3.296 -4.431 -6.662 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.902 -6.968 -7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.803 -6.064 -5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.928 -7.750 -5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.358 -7.472 -7.360 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.404 -5.726 -7.223 1.00 0.00 H new ATOM 893 N TRP A 58 -5.793 -5.910 -5.325 1.00 0.00 N ATOM 894 CA TRP A 58 -6.978 -6.185 -4.512 1.00 0.00 C ATOM 895 C TRP A 58 -8.161 -6.607 -5.380 1.00 0.00 C ATOM 896 O TRP A 58 -8.946 -7.476 -4.994 1.00 0.00 O ATOM 897 CB TRP A 58 -7.323 -4.945 -3.664 1.00 0.00 C ATOM 898 CG TRP A 58 -8.791 -4.637 -3.547 1.00 0.00 C ATOM 899 CD1 TRP A 58 -9.733 -5.371 -2.891 1.00 0.00 C ATOM 900 CD2 TRP A 58 -9.479 -3.499 -4.086 1.00 0.00 C ATOM 901 NE1 TRP A 58 -10.963 -4.772 -3.000 1.00 0.00 N ATOM 902 CE2 TRP A 58 -10.835 -3.620 -3.725 1.00 0.00 C ATOM 903 CE3 TRP A 58 -9.080 -2.393 -4.838 1.00 0.00 C ATOM 904 CZ2 TRP A 58 -11.791 -2.678 -4.091 1.00 0.00 C ATOM 905 CZ3 TRP A 58 -10.030 -1.457 -5.203 1.00 0.00 C ATOM 906 CH2 TRP A 58 -11.372 -1.604 -4.830 1.00 0.00 C ATOM 0 H TRP A 58 -5.399 -4.980 -5.181 1.00 0.00 H new ATOM 0 HA TRP A 58 -6.758 -7.018 -3.844 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -6.917 -5.085 -2.662 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -6.820 -4.079 -4.094 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -9.540 -6.292 -2.361 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -11.833 -5.129 -2.604 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -8.047 -2.270 -5.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -12.826 -2.790 -3.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -9.732 -0.598 -5.786 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -12.090 -0.856 -5.131 1.00 0.00 H new ATOM 917 N ARG A 59 -8.268 -6.008 -6.559 1.00 0.00 N ATOM 918 CA ARG A 59 -9.355 -6.315 -7.479 1.00 0.00 C ATOM 919 C ARG A 59 -9.341 -7.789 -7.872 1.00 0.00 C ATOM 920 O ARG A 59 -10.390 -8.402 -8.071 1.00 0.00 O ATOM 921 CB ARG A 59 -9.251 -5.446 -8.731 1.00 0.00 C ATOM 922 CG ARG A 59 -9.652 -4.002 -8.499 1.00 0.00 C ATOM 923 CD ARG A 59 -10.122 -3.341 -9.785 1.00 0.00 C ATOM 924 NE ARG A 59 -11.553 -3.049 -9.760 1.00 0.00 N ATOM 925 CZ ARG A 59 -12.079 -1.954 -9.210 1.00 0.00 C ATOM 926 NH1 ARG A 59 -11.293 -1.045 -8.637 1.00 0.00 N ATOM 927 NH2 ARG A 59 -13.391 -1.770 -9.242 1.00 0.00 N ATOM 0 H ARG A 59 -7.613 -5.305 -6.901 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.295 -6.102 -6.970 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.226 -5.475 -9.100 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.883 -5.870 -9.511 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -10.447 -3.959 -7.755 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.805 -3.449 -8.093 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.566 -2.416 -9.941 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.900 -3.993 -10.630 1.00 0.00 H new ATOM 0 HE ARG A 59 -12.188 -3.723 -10.189 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.283 -1.184 -8.617 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.701 -0.209 -8.218 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.993 -2.464 -9.686 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -13.799 -0.934 -8.823 1.00 0.00 H new ATOM 941 N ARG A 60 -8.145 -8.353 -7.960 1.00 0.00 N ATOM 942 CA ARG A 60 -7.977 -9.741 -8.359 1.00 0.00 C ATOM 943 C ARG A 60 -8.197 -10.673 -7.171 1.00 0.00 C ATOM 944 O ARG A 60 -8.710 -11.783 -7.328 1.00 0.00 O ATOM 945 CB ARG A 60 -6.579 -9.962 -8.948 1.00 0.00 C ATOM 946 CG ARG A 60 -6.136 -8.867 -9.906 1.00 0.00 C ATOM 947 CD ARG A 60 -4.667 -9.004 -10.275 1.00 0.00 C ATOM 948 NE ARG A 60 -4.005 -7.703 -10.377 1.00 0.00 N ATOM 949 CZ ARG A 60 -2.684 -7.527 -10.312 1.00 0.00 C ATOM 950 NH1 ARG A 60 -1.873 -8.572 -10.174 1.00 0.00 N ATOM 951 NH2 ARG A 60 -2.177 -6.306 -10.411 1.00 0.00 N ATOM 0 H ARG A 60 -7.272 -7.866 -7.759 1.00 0.00 H new ATOM 0 HA ARG A 60 -8.721 -9.969 -9.122 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -5.859 -10.032 -8.133 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -6.562 -10.918 -9.471 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -6.744 -8.906 -10.810 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -6.307 -7.892 -9.449 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -4.160 -9.611 -9.525 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.579 -9.531 -11.225 1.00 0.00 H new ATOM 0 HE ARG A 60 -4.591 -6.878 -10.506 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.260 -9.514 -10.117 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.864 -8.431 -10.125 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.796 -5.505 -10.536 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.168 -6.167 -10.362 1.00 0.00 H new ATOM 965 N SER A 61 -7.810 -10.220 -5.985 1.00 0.00 N ATOM 966 CA SER A 61 -7.941 -11.026 -4.778 1.00 0.00 C ATOM 967 C SER A 61 -9.386 -11.087 -4.287 1.00 0.00 C ATOM 968 O SER A 61 -9.984 -12.163 -4.235 1.00 0.00 O ATOM 969 CB SER A 61 -7.042 -10.468 -3.677 1.00 0.00 C ATOM 970 OG SER A 61 -5.972 -9.728 -4.232 1.00 0.00 O ATOM 0 H SER A 61 -7.402 -9.297 -5.833 1.00 0.00 H new ATOM 0 HA SER A 61 -7.632 -12.041 -5.026 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.625 -9.831 -3.013 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.650 -11.285 -3.072 1.00 0.00 H new ATOM 0 HG SER A 61 -5.408 -9.377 -3.511 1.00 0.00 H new ATOM 976 N GLU A 62 -9.947 -9.931 -3.944 1.00 0.00 N ATOM 977 CA GLU A 62 -11.268 -9.882 -3.328 1.00 0.00 C ATOM 978 C GLU A 62 -12.362 -10.192 -4.345 1.00 0.00 C ATOM 979 O GLU A 62 -13.328 -10.886 -4.032 1.00 0.00 O ATOM 980 CB GLU A 62 -11.510 -8.502 -2.709 1.00 0.00 C ATOM 981 CG GLU A 62 -11.415 -8.483 -1.192 1.00 0.00 C ATOM 982 CD GLU A 62 -11.530 -7.086 -0.616 1.00 0.00 C ATOM 983 OE1 GLU A 62 -12.440 -6.336 -1.035 1.00 0.00 O ATOM 984 OE2 GLU A 62 -10.708 -6.726 0.257 1.00 0.00 O ATOM 0 H GLU A 62 -9.509 -9.020 -4.082 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.303 -10.640 -2.546 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.784 -7.799 -3.118 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.498 -8.149 -3.006 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.203 -9.110 -0.775 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.465 -8.921 -0.886 1.00 0.00 H new ATOM 991 N GLY A 63 -12.180 -9.720 -5.572 1.00 0.00 N ATOM 992 CA GLY A 63 -13.193 -9.910 -6.594 1.00 0.00 C ATOM 993 C GLY A 63 -14.449 -9.103 -6.310 1.00 0.00 C ATOM 994 O GLY A 63 -15.322 -9.541 -5.557 1.00 0.00 O ATOM 0 H GLY A 63 -11.351 -9.210 -5.878 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.788 -9.620 -7.564 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -13.449 -10.968 -6.658 1.00 0.00 H new ATOM 998 N LEU A 64 -14.533 -7.917 -6.901 1.00 0.00 N ATOM 999 CA LEU A 64 -15.679 -7.041 -6.698 1.00 0.00 C ATOM 1000 C LEU A 64 -16.899 -7.581 -7.435 1.00 0.00 C ATOM 1001 O LEU A 64 -16.827 -7.864 -8.634 1.00 0.00 O ATOM 1002 CB LEU A 64 -15.361 -5.629 -7.183 1.00 0.00 C ATOM 1003 CG LEU A 64 -14.430 -4.825 -6.278 1.00 0.00 C ATOM 1004 CD1 LEU A 64 -12.996 -4.902 -6.780 1.00 0.00 C ATOM 1005 CD2 LEU A 64 -14.888 -3.379 -6.201 1.00 0.00 C ATOM 0 H LEU A 64 -13.820 -7.540 -7.525 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.900 -7.006 -5.631 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -14.911 -5.695 -8.174 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -16.297 -5.081 -7.294 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.466 -5.255 -5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.348 -4.323 -6.122 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.669 -5.942 -6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.942 -4.497 -7.790 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.215 -2.818 -5.552 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -14.879 -2.941 -7.199 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -15.899 -3.339 -5.796 1.00 0.00 H new ATOM 1017 N PRO A 65 -18.041 -7.708 -6.738 1.00 0.00 N ATOM 1018 CA PRO A 65 -19.258 -8.332 -7.284 1.00 0.00 C ATOM 1019 C PRO A 65 -19.978 -7.469 -8.322 1.00 0.00 C ATOM 1020 O PRO A 65 -21.189 -7.586 -8.502 1.00 0.00 O ATOM 1021 CB PRO A 65 -20.153 -8.529 -6.047 1.00 0.00 C ATOM 1022 CG PRO A 65 -19.290 -8.232 -4.867 1.00 0.00 C ATOM 1023 CD PRO A 65 -18.244 -7.275 -5.351 1.00 0.00 C ATOM 0 HA PRO A 65 -19.016 -9.253 -7.815 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -21.015 -7.862 -6.078 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -20.539 -9.547 -6.002 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -19.874 -7.795 -4.057 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -18.835 -9.143 -4.477 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -18.582 -6.240 -5.293 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -17.327 -7.344 -4.765 1.00 0.00 H new ATOM 1031 N SER A 66 -19.238 -6.604 -8.998 1.00 0.00 N ATOM 1032 CA SER A 66 -19.808 -5.766 -10.044 1.00 0.00 C ATOM 1033 C SER A 66 -18.944 -5.811 -11.301 1.00 0.00 C ATOM 1034 O SER A 66 -19.231 -5.136 -12.292 1.00 0.00 O ATOM 1035 CB SER A 66 -19.954 -4.331 -9.545 1.00 0.00 C ATOM 1036 OG SER A 66 -19.745 -4.265 -8.143 1.00 0.00 O ATOM 0 H SER A 66 -18.240 -6.463 -8.841 1.00 0.00 H new ATOM 0 HA SER A 66 -20.796 -6.150 -10.298 1.00 0.00 H new ATOM 0 HB2 SER A 66 -19.237 -3.688 -10.055 1.00 0.00 H new ATOM 0 HB3 SER A 66 -20.948 -3.955 -9.788 1.00 0.00 H new ATOM 0 HG SER A 66 -19.841 -3.338 -7.841 1.00 0.00 H new ATOM 1042 N GLU A 67 -17.882 -6.607 -11.254 1.00 0.00 N ATOM 1043 CA GLU A 67 -17.007 -6.787 -12.403 1.00 0.00 C ATOM 1044 C GLU A 67 -17.268 -8.153 -13.026 1.00 0.00 C ATOM 1045 O GLU A 67 -16.535 -9.110 -12.770 1.00 0.00 O ATOM 1046 CB GLU A 67 -15.533 -6.655 -11.993 1.00 0.00 C ATOM 1047 CG GLU A 67 -15.316 -5.861 -10.713 1.00 0.00 C ATOM 1048 CD GLU A 67 -14.319 -4.731 -10.879 1.00 0.00 C ATOM 1049 OE1 GLU A 67 -13.117 -5.011 -11.076 1.00 0.00 O ATOM 1050 OE2 GLU A 67 -14.731 -3.553 -10.808 1.00 0.00 O ATOM 0 H GLU A 67 -17.607 -7.139 -10.429 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.219 -6.009 -13.137 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -15.111 -7.652 -11.866 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.982 -6.177 -12.803 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.270 -5.451 -10.380 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.967 -6.534 -9.929 1.00 0.00 H new ATOM 1057 N CYS A 68 -18.327 -8.234 -13.831 1.00 0.00 N ATOM 1058 CA CYS A 68 -18.791 -9.503 -14.391 1.00 0.00 C ATOM 1059 C CYS A 68 -19.134 -10.473 -13.258 1.00 0.00 C ATOM 1060 O CYS A 68 -19.478 -10.043 -12.154 1.00 0.00 O ATOM 1061 CB CYS A 68 -17.736 -10.103 -15.325 1.00 0.00 C ATOM 1062 SG CYS A 68 -16.981 -8.904 -16.450 1.00 0.00 S ATOM 0 H CYS A 68 -18.884 -7.427 -14.112 1.00 0.00 H new ATOM 0 HA CYS A 68 -19.690 -9.321 -14.981 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -16.953 -10.564 -14.723 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -18.196 -10.898 -15.913 1.00 0.00 H new ATOM 0 HG CYS A 68 -16.102 -9.504 -17.197 1.00 0.00 H new ATOM 1068 N ARG A 69 -19.048 -11.772 -13.516 1.00 0.00 N ATOM 1069 CA ARG A 69 -19.278 -12.740 -12.456 1.00 0.00 C ATOM 1070 C ARG A 69 -18.018 -12.892 -11.613 1.00 0.00 C ATOM 1071 O ARG A 69 -17.156 -13.724 -11.898 1.00 0.00 O ATOM 1072 CB ARG A 69 -19.719 -14.102 -13.013 1.00 0.00 C ATOM 1073 CG ARG A 69 -19.309 -14.357 -14.456 1.00 0.00 C ATOM 1074 CD ARG A 69 -18.002 -15.128 -14.538 1.00 0.00 C ATOM 1075 NE ARG A 69 -18.146 -16.520 -14.112 1.00 0.00 N ATOM 1076 CZ ARG A 69 -17.337 -17.119 -13.239 1.00 0.00 C ATOM 1077 NH1 ARG A 69 -16.366 -16.435 -12.647 1.00 0.00 N ATOM 1078 NH2 ARG A 69 -17.512 -18.399 -12.945 1.00 0.00 N ATOM 0 H ARG A 69 -18.826 -12.171 -14.428 1.00 0.00 H new ATOM 0 HA ARG A 69 -20.089 -12.368 -11.830 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -19.301 -14.889 -12.385 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -20.804 -14.177 -12.938 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -20.094 -14.916 -14.965 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -19.205 -13.406 -14.979 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -17.632 -15.101 -15.563 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -17.254 -14.636 -13.916 1.00 0.00 H new ATOM 0 HE ARG A 69 -18.912 -17.065 -14.507 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -16.236 -15.446 -12.859 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -15.750 -16.898 -11.979 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -18.266 -18.925 -13.387 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -16.893 -18.858 -12.277 1.00 0.00 H new ATOM 1092 N SER A 70 -17.914 -12.067 -10.588 1.00 0.00 N ATOM 1093 CA SER A 70 -16.807 -12.133 -9.646 1.00 0.00 C ATOM 1094 C SER A 70 -17.326 -11.834 -8.250 1.00 0.00 C ATOM 1095 O SER A 70 -17.453 -10.678 -7.859 1.00 0.00 O ATOM 1096 CB SER A 70 -15.702 -11.135 -10.023 1.00 0.00 C ATOM 1097 OG SER A 70 -15.453 -11.133 -11.423 1.00 0.00 O ATOM 0 H SER A 70 -18.592 -11.333 -10.383 1.00 0.00 H new ATOM 0 HA SER A 70 -16.377 -13.134 -9.675 1.00 0.00 H new ATOM 0 HB2 SER A 70 -15.991 -10.134 -9.703 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.785 -11.388 -9.490 1.00 0.00 H new ATOM 0 HG SER A 70 -15.749 -10.281 -11.807 1.00 0.00 H new ATOM 1103 N VAL A 71 -17.648 -12.875 -7.508 1.00 0.00 N ATOM 1104 CA VAL A 71 -18.271 -12.707 -6.211 1.00 0.00 C ATOM 1105 C VAL A 71 -17.255 -12.897 -5.097 1.00 0.00 C ATOM 1106 O VAL A 71 -16.428 -13.810 -5.143 1.00 0.00 O ATOM 1107 CB VAL A 71 -19.440 -13.698 -6.008 1.00 0.00 C ATOM 1108 CG1 VAL A 71 -20.335 -13.252 -4.860 1.00 0.00 C ATOM 1109 CG2 VAL A 71 -20.250 -13.848 -7.291 1.00 0.00 C ATOM 0 H VAL A 71 -17.489 -13.845 -7.781 1.00 0.00 H new ATOM 0 HA VAL A 71 -18.665 -11.691 -6.175 1.00 0.00 H new ATOM 0 HB VAL A 71 -19.018 -14.670 -5.754 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -21.150 -13.965 -4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -19.751 -13.205 -3.941 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -20.745 -12.266 -5.080 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -21.067 -14.550 -7.125 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -20.657 -12.879 -7.580 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -19.606 -14.223 -8.086 1.00 0.00 H new ATOM 1119 N THR A 72 -17.294 -12.013 -4.115 1.00 0.00 N ATOM 1120 CA THR A 72 -16.493 -12.176 -2.917 1.00 0.00 C ATOM 1121 C THR A 72 -17.102 -13.260 -2.034 1.00 0.00 C ATOM 1122 O THR A 72 -17.730 -12.973 -1.015 1.00 0.00 O ATOM 1123 CB THR A 72 -16.414 -10.854 -2.133 1.00 0.00 C ATOM 1124 OG1 THR A 72 -16.622 -9.751 -3.029 1.00 0.00 O ATOM 1125 CG2 THR A 72 -15.069 -10.706 -1.442 1.00 0.00 C ATOM 0 H THR A 72 -17.874 -11.174 -4.125 1.00 0.00 H new ATOM 0 HA THR A 72 -15.485 -12.468 -3.211 1.00 0.00 H new ATOM 0 HB THR A 72 -17.191 -10.861 -1.368 1.00 0.00 H new ATOM 0 HG1 THR A 72 -16.044 -9.853 -3.814 1.00 0.00 H new ATOM 0 HG21 THR A 72 -15.042 -9.763 -0.896 1.00 0.00 H new ATOM 0 HG22 THR A 72 -14.925 -11.532 -0.746 1.00 0.00 H new ATOM 0 HG23 THR A 72 -14.274 -10.716 -2.187 1.00 0.00 H new ATOM 1133 N ASP A 73 -16.921 -14.506 -2.448 1.00 0.00 N ATOM 1134 CA ASP A 73 -17.510 -15.646 -1.759 1.00 0.00 C ATOM 1135 C ASP A 73 -16.794 -15.897 -0.443 1.00 0.00 C ATOM 1136 O ASP A 73 -15.557 -16.026 -0.459 1.00 0.00 O ATOM 1137 CB ASP A 73 -17.437 -16.891 -2.647 1.00 0.00 C ATOM 1138 CG ASP A 73 -18.483 -17.926 -2.288 1.00 0.00 C ATOM 1139 OD1 ASP A 73 -19.674 -17.708 -2.596 1.00 0.00 O ATOM 1140 OD2 ASP A 73 -18.120 -18.971 -1.714 1.00 0.00 O ATOM 1141 OXT ASP A 73 -17.467 -15.939 0.606 1.00 0.00 O ATOM 0 H ASP A 73 -16.365 -14.755 -3.266 1.00 0.00 H new ATOM 0 HA ASP A 73 -18.556 -15.424 -1.547 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -17.565 -16.597 -3.689 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -16.446 -17.337 -2.561 1.00 0.00 H new TER 1146 ASP A 73