USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 759 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 Set 1.1: A 40 THR OG1 : rot 180:sc= -0.0445 USER MOD Set 1.2: A 67 THR OG1 : rot 180:sc= -0.165 USER MOD Set 2.1: A 51 THR OG1 : rot 160:sc= -0.0206 USER MOD Set 2.2: A 57 LYS NZ :NH3+ 175:sc= -0.177 (180deg=-0.275) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0 (180deg=-0.231) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 170:sc= -0.574 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= -0.266 USER MOD Single : A 20 LYS NZ :NH3+ -151:sc= -0.118 (180deg=-1.04) USER MOD Single : A 26 LYS NZ :NH3+ -146:sc= 0.183 (180deg=-0.0806) USER MOD Single : A 29 SER OG : rot 180:sc= -0.0704 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 152:sc= 1.2 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.539 USER MOD Single : A 38 ASN : amide:sc= -1.37! K(o=-1.4!,f=0.16) USER MOD Single : A 41 CYS SG : rot -4:sc= 0.67 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00155) USER MOD Single : A 52 THR OG1 : rot -64:sc= 0.0283 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 180:sc=-0.00238 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 154:sc= 0.105 (180deg=0.0904) USER MOD Single : A 85 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-2.8) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.37 K(o=-0.37,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.629 13.162 -7.228 1.00 0.00 N ATOM 2 CA MET A 1 -4.307 13.973 -6.055 1.00 0.00 C ATOM 3 C MET A 1 -4.168 13.099 -4.815 1.00 0.00 C ATOM 4 O MET A 1 -3.265 13.368 -3.997 1.00 0.00 O ATOM 5 CB MET A 1 -5.361 15.061 -5.844 1.00 0.00 C ATOM 6 CG MET A 1 -4.765 16.459 -5.732 1.00 0.00 C ATOM 7 SD MET A 1 -5.422 17.598 -6.965 1.00 0.00 S ATOM 8 CE MET A 1 -7.117 17.756 -6.389 1.00 0.00 C ATOM 0 H1 MET A 1 -4.471 13.721 -8.091 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.020 12.319 -7.245 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.626 12.868 -7.184 1.00 0.00 H new ATOM 0 HA MET A 1 -3.349 14.462 -6.230 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.068 15.039 -6.674 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.926 14.840 -4.938 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.963 16.855 -4.736 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.682 16.397 -5.841 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.663 18.431 -7.047 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.596 16.777 -6.395 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.121 18.156 -5.375 1.00 0.00 H new ATOM 18 N GLU A 2 -5.004 12.048 -4.748 1.00 0.00 N ATOM 19 CA GLU A 2 -5.008 11.138 -3.598 1.00 0.00 C ATOM 20 C GLU A 2 -4.440 9.792 -3.998 1.00 0.00 C ATOM 21 O GLU A 2 -4.474 9.398 -5.165 1.00 0.00 O ATOM 22 CB GLU A 2 -6.419 10.969 -3.057 1.00 0.00 C ATOM 23 CG GLU A 2 -7.128 12.294 -2.787 1.00 0.00 C ATOM 24 CD GLU A 2 -7.481 12.468 -1.326 1.00 0.00 C ATOM 25 OE1 GLU A 2 -8.466 11.834 -0.869 1.00 0.00 O ATOM 26 OE2 GLU A 2 -6.774 13.249 -0.643 1.00 0.00 O ATOM 0 H GLU A 2 -5.680 11.812 -5.474 1.00 0.00 H new ATOM 0 HA GLU A 2 -4.385 11.568 -2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.006 10.390 -3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.379 10.392 -2.133 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.488 13.117 -3.105 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.037 12.346 -3.387 1.00 0.00 H new ATOM 33 N VAL A 3 -4.037 9.045 -3.002 1.00 0.00 N ATOM 34 CA VAL A 3 -3.347 7.757 -3.244 1.00 0.00 C ATOM 35 C VAL A 3 -2.340 7.788 -4.407 1.00 0.00 C ATOM 36 O VAL A 3 -2.696 7.540 -5.559 1.00 0.00 O ATOM 37 CB VAL A 3 -4.422 6.690 -3.527 1.00 0.00 C ATOM 38 CG1 VAL A 3 -3.785 5.366 -3.907 1.00 0.00 C ATOM 39 CG2 VAL A 3 -5.326 6.541 -2.309 1.00 0.00 C ATOM 0 H VAL A 3 -4.162 9.283 -2.018 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.762 7.530 -2.353 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.028 7.011 -4.374 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.565 4.630 -4.102 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.179 5.498 -4.803 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.154 5.018 -3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.086 5.786 -2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.730 6.236 -1.449 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.809 7.494 -2.096 1.00 0.00 H new ATOM 49 N LYS A 4 -1.078 8.088 -4.106 1.00 0.00 N ATOM 50 CA LYS A 4 -0.044 8.142 -5.138 1.00 0.00 C ATOM 51 C LYS A 4 0.467 6.748 -5.466 1.00 0.00 C ATOM 52 O LYS A 4 1.258 6.185 -4.709 1.00 0.00 O ATOM 53 CB LYS A 4 1.101 9.020 -4.662 1.00 0.00 C ATOM 54 CG LYS A 4 1.613 9.984 -5.728 1.00 0.00 C ATOM 55 CD LYS A 4 3.128 10.145 -5.670 1.00 0.00 C ATOM 56 CE LYS A 4 3.552 10.911 -4.428 1.00 0.00 C ATOM 57 NZ LYS A 4 5.027 11.076 -4.366 1.00 0.00 N ATOM 0 H LYS A 4 -0.748 8.296 -3.163 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.475 8.566 -6.045 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.773 9.592 -3.794 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.923 8.384 -4.333 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.324 9.621 -6.714 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.139 10.957 -5.595 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.601 9.163 -5.674 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.475 10.670 -6.560 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.075 11.891 -4.423 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.206 10.384 -3.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.282 11.603 -3.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.480 10.140 -4.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.353 11.601 -5.203 1.00 0.00 H new ATOM 71 N ILE A 5 0.015 6.202 -6.592 1.00 0.00 N ATOM 72 CA ILE A 5 0.437 4.875 -7.018 1.00 0.00 C ATOM 73 C ILE A 5 1.313 4.963 -8.261 1.00 0.00 C ATOM 74 O ILE A 5 0.911 5.540 -9.273 1.00 0.00 O ATOM 75 CB ILE A 5 -0.774 3.970 -7.307 1.00 0.00 C ATOM 76 CG1 ILE A 5 -1.638 3.821 -6.053 1.00 0.00 C ATOM 77 CG2 ILE A 5 -0.307 2.606 -7.798 1.00 0.00 C ATOM 78 CD1 ILE A 5 -2.861 2.948 -6.260 1.00 0.00 C ATOM 0 H ILE A 5 -0.643 6.659 -7.224 1.00 0.00 H new ATOM 0 HA ILE A 5 1.012 4.438 -6.202 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.377 4.432 -8.088 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.031 3.399 -5.252 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.959 4.809 -5.723 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.173 1.975 -7.999 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.273 2.728 -8.713 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.314 2.137 -7.034 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.426 2.887 -5.330 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.489 3.380 -7.039 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.548 1.948 -6.560 1.00 0.00 H new ATOM 90 N GLU A 6 2.511 4.393 -8.178 1.00 0.00 N ATOM 91 CA GLU A 6 3.436 4.393 -9.305 1.00 0.00 C ATOM 92 C GLU A 6 4.541 3.360 -9.097 1.00 0.00 C ATOM 93 O GLU A 6 4.577 2.667 -8.080 1.00 0.00 O ATOM 94 CB GLU A 6 4.046 5.786 -9.487 1.00 0.00 C ATOM 95 CG GLU A 6 4.558 6.398 -8.187 1.00 0.00 C ATOM 96 CD GLU A 6 5.880 7.128 -8.359 1.00 0.00 C ATOM 97 OE1 GLU A 6 6.743 6.632 -9.116 1.00 0.00 O ATOM 98 OE2 GLU A 6 6.034 8.212 -7.761 1.00 0.00 O ATOM 0 H GLU A 6 2.863 3.926 -7.343 1.00 0.00 H new ATOM 0 HA GLU A 6 2.881 4.128 -10.205 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.869 5.724 -10.199 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.297 6.448 -9.922 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.813 7.093 -7.800 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.677 5.611 -7.443 1.00 0.00 H new ATOM 105 N LYS A 7 5.448 3.265 -10.066 1.00 0.00 N ATOM 106 CA LYS A 7 6.557 2.319 -10.001 1.00 0.00 C ATOM 107 C LYS A 7 7.888 3.053 -9.841 1.00 0.00 C ATOM 108 O LYS A 7 8.626 3.291 -10.810 1.00 0.00 O ATOM 109 CB LYS A 7 6.590 1.440 -11.252 1.00 0.00 C ATOM 110 CG LYS A 7 5.248 0.800 -11.572 1.00 0.00 C ATOM 111 CD LYS A 7 4.397 1.715 -12.442 1.00 0.00 C ATOM 112 CE LYS A 7 3.597 0.908 -13.454 1.00 0.00 C ATOM 113 NZ LYS A 7 3.788 1.441 -14.826 1.00 0.00 N ATOM 0 H LYS A 7 5.435 3.836 -10.911 1.00 0.00 H new ATOM 0 HA LYS A 7 6.405 1.682 -9.130 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.910 2.042 -12.103 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.336 0.656 -11.118 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.407 -0.149 -12.084 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.718 0.577 -10.646 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.719 2.294 -11.815 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.037 2.428 -12.962 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.907 -0.136 -13.419 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.539 0.936 -13.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.233 0.875 -15.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.470 2.431 -14.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.795 1.392 -15.081 1.00 0.00 H new ATOM 127 N PRO A 8 8.228 3.403 -8.593 1.00 0.00 N ATOM 128 CA PRO A 8 9.473 4.109 -8.295 1.00 0.00 C ATOM 129 C PRO A 8 10.697 3.225 -8.508 1.00 0.00 C ATOM 130 O PRO A 8 10.691 2.045 -8.151 1.00 0.00 O ATOM 131 CB PRO A 8 9.328 4.479 -6.819 1.00 0.00 C ATOM 132 CG PRO A 8 8.381 3.466 -6.264 1.00 0.00 C ATOM 133 CD PRO A 8 7.438 3.132 -7.386 1.00 0.00 C ATOM 0 HA PRO A 8 9.624 4.969 -8.947 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.289 4.445 -6.306 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.939 5.491 -6.701 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.913 2.578 -5.923 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.841 3.864 -5.405 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.116 2.092 -7.343 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.538 3.746 -7.350 1.00 0.00 H new ATOM 141 N THR A 9 11.750 3.808 -9.078 1.00 0.00 N ATOM 142 CA THR A 9 12.995 3.087 -9.321 1.00 0.00 C ATOM 143 C THR A 9 13.458 2.348 -8.068 1.00 0.00 C ATOM 144 O THR A 9 13.266 2.811 -6.942 1.00 0.00 O ATOM 145 CB THR A 9 14.111 4.032 -9.806 1.00 0.00 C ATOM 146 OG1 THR A 9 15.385 3.402 -9.658 1.00 0.00 O ATOM 147 CG2 THR A 9 14.105 5.334 -9.019 1.00 0.00 C ATOM 0 H THR A 9 11.764 4.782 -9.381 1.00 0.00 H new ATOM 0 HA THR A 9 12.791 2.359 -10.106 1.00 0.00 H new ATOM 0 HB THR A 9 13.928 4.255 -10.857 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.069 3.936 -10.113 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.903 5.982 -9.382 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.145 5.833 -9.149 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.263 5.121 -7.962 1.00 0.00 H new ATOM 155 N PRO A 10 14.101 1.186 -8.266 1.00 0.00 N ATOM 156 CA PRO A 10 14.622 0.378 -7.166 1.00 0.00 C ATOM 157 C PRO A 10 15.801 1.038 -6.464 1.00 0.00 C ATOM 158 O PRO A 10 16.245 0.564 -5.419 1.00 0.00 O ATOM 159 CB PRO A 10 15.074 -0.921 -7.837 1.00 0.00 C ATOM 160 CG PRO A 10 15.358 -0.530 -9.259 1.00 0.00 C ATOM 161 CD PRO A 10 14.389 0.582 -9.575 1.00 0.00 C ATOM 0 HA PRO A 10 13.867 0.232 -6.393 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.961 -1.330 -7.353 1.00 0.00 H new ATOM 0 HB3 PRO A 10 14.300 -1.686 -7.783 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.389 -0.196 -9.375 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.218 -1.375 -9.933 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.824 1.307 -10.262 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.483 0.200 -10.046 1.00 0.00 H new ATOM 169 N GLU A 11 16.305 2.125 -7.041 1.00 0.00 N ATOM 170 CA GLU A 11 17.437 2.841 -6.471 1.00 0.00 C ATOM 171 C GLU A 11 16.995 3.688 -5.282 1.00 0.00 C ATOM 172 O GLU A 11 17.571 3.602 -4.198 1.00 0.00 O ATOM 173 CB GLU A 11 18.096 3.713 -7.542 1.00 0.00 C ATOM 174 CG GLU A 11 19.200 2.953 -8.325 1.00 0.00 C ATOM 175 CD GLU A 11 18.989 3.126 -9.827 1.00 0.00 C ATOM 176 OE1 GLU A 11 19.498 4.133 -10.379 1.00 0.00 O ATOM 177 OE2 GLU A 11 18.309 2.243 -10.428 1.00 0.00 O ATOM 0 H GLU A 11 15.945 2.529 -7.906 1.00 0.00 H new ATOM 0 HA GLU A 11 18.167 2.115 -6.113 1.00 0.00 H new ATOM 0 HB2 GLU A 11 17.336 4.064 -8.240 1.00 0.00 H new ATOM 0 HB3 GLU A 11 18.530 4.596 -7.072 1.00 0.00 H new ATOM 0 HG2 GLU A 11 20.183 3.330 -8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 11 19.178 1.894 -8.066 1.00 0.00 H new ATOM 184 N LYS A 12 15.954 4.491 -5.481 1.00 0.00 N ATOM 185 CA LYS A 12 15.436 5.349 -4.420 1.00 0.00 C ATOM 186 C LYS A 12 14.976 4.518 -3.225 1.00 0.00 C ATOM 187 O LYS A 12 15.094 4.948 -2.077 1.00 0.00 O ATOM 188 CB LYS A 12 14.274 6.194 -4.954 1.00 0.00 C ATOM 189 CG LYS A 12 13.669 7.120 -3.906 1.00 0.00 C ATOM 190 CD LYS A 12 14.184 8.542 -4.062 1.00 0.00 C ATOM 191 CE LYS A 12 14.339 9.226 -2.712 1.00 0.00 C ATOM 192 NZ LYS A 12 15.513 10.143 -2.686 1.00 0.00 N ATOM 0 H LYS A 12 15.453 4.566 -6.366 1.00 0.00 H new ATOM 0 HA LYS A 12 16.237 6.009 -4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.625 6.790 -5.796 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.497 5.531 -5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.583 7.113 -3.995 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.910 6.751 -2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.144 8.529 -4.577 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.496 9.114 -4.685 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.434 9.789 -2.484 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.450 8.472 -1.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.584 10.589 -1.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.380 9.602 -2.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.395 10.878 -3.412 1.00 0.00 H new ATOM 206 N LEU A 13 14.443 3.331 -3.501 1.00 0.00 N ATOM 207 CA LEU A 13 13.962 2.444 -2.447 1.00 0.00 C ATOM 208 C LEU A 13 15.104 2.020 -1.532 1.00 0.00 C ATOM 209 O LEU A 13 14.948 1.988 -0.311 1.00 0.00 O ATOM 210 CB LEU A 13 13.311 1.205 -3.063 1.00 0.00 C ATOM 211 CG LEU A 13 11.888 1.404 -3.596 1.00 0.00 C ATOM 212 CD1 LEU A 13 11.681 0.601 -4.875 1.00 0.00 C ATOM 213 CD2 LEU A 13 10.867 0.999 -2.539 1.00 0.00 C ATOM 0 H LEU A 13 14.333 2.962 -4.445 1.00 0.00 H new ATOM 0 HA LEU A 13 13.225 2.986 -1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.941 0.853 -3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.292 0.415 -2.313 1.00 0.00 H new ATOM 0 HG LEU A 13 11.747 2.460 -3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.665 0.754 -5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.392 0.932 -5.632 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.837 -0.458 -4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.860 1.145 -2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.007 -0.051 -2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.003 1.612 -1.648 1.00 0.00 H new ATOM 225 N LYS A 14 16.247 1.688 -2.128 1.00 0.00 N ATOM 226 CA LYS A 14 17.418 1.279 -1.364 1.00 0.00 C ATOM 227 C LYS A 14 17.831 2.362 -0.378 1.00 0.00 C ATOM 228 O LYS A 14 18.315 2.032 0.708 1.00 0.00 O ATOM 229 CB LYS A 14 18.582 0.954 -2.309 1.00 0.00 C ATOM 230 CG LYS A 14 18.854 -0.536 -2.438 1.00 0.00 C ATOM 231 CD LYS A 14 17.891 -1.191 -3.416 1.00 0.00 C ATOM 232 CE LYS A 14 18.289 -2.629 -3.709 1.00 0.00 C ATOM 233 NZ LYS A 14 17.842 -3.544 -2.628 1.00 0.00 N ATOM 0 H LYS A 14 16.385 1.695 -3.139 1.00 0.00 H new ATOM 0 HA LYS A 14 17.158 0.384 -0.799 1.00 0.00 H new ATOM 0 HB2 LYS A 14 18.365 1.363 -3.296 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.483 1.451 -1.949 1.00 0.00 H new ATOM 0 HG2 LYS A 14 19.879 -0.693 -2.774 1.00 0.00 H new ATOM 0 HG3 LYS A 14 18.762 -1.011 -1.461 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.882 -1.168 -3.005 1.00 0.00 H new ATOM 0 HD3 LYS A 14 17.870 -0.621 -4.345 1.00 0.00 H new ATOM 0 HE2 LYS A 14 17.853 -2.943 -4.657 1.00 0.00 H new ATOM 0 HE3 LYS A 14 19.372 -2.694 -3.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.128 -4.517 -2.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 18.278 -3.257 -1.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.807 -3.499 -2.541 1.00 0.00 H new ATOM 247 N GLU A 15 17.639 3.622 -0.765 1.00 0.00 N ATOM 248 CA GLU A 15 18.010 4.750 0.081 1.00 0.00 C ATOM 249 C GLU A 15 16.969 4.960 1.180 1.00 0.00 C ATOM 250 O GLU A 15 17.310 5.254 2.325 1.00 0.00 O ATOM 251 CB GLU A 15 18.138 6.021 -0.760 1.00 0.00 C ATOM 252 CG GLU A 15 18.921 5.833 -2.051 1.00 0.00 C ATOM 253 CD GLU A 15 19.832 7.013 -2.348 1.00 0.00 C ATOM 254 OE1 GLU A 15 19.306 8.144 -2.442 1.00 0.00 O ATOM 255 OE2 GLU A 15 21.056 6.797 -2.482 1.00 0.00 O ATOM 0 H GLU A 15 17.228 3.885 -1.661 1.00 0.00 H new ATOM 0 HA GLU A 15 18.972 4.530 0.545 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.140 6.386 -1.002 1.00 0.00 H new ATOM 0 HB3 GLU A 15 18.623 6.793 -0.162 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.518 4.924 -1.982 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.225 5.696 -2.879 1.00 0.00 H new ATOM 262 N LEU A 16 15.696 4.783 0.826 1.00 0.00 N ATOM 263 CA LEU A 16 14.580 4.905 1.770 1.00 0.00 C ATOM 264 C LEU A 16 14.724 3.917 2.924 1.00 0.00 C ATOM 265 O LEU A 16 14.116 4.099 3.976 1.00 0.00 O ATOM 266 CB LEU A 16 13.245 4.742 1.076 1.00 0.00 C ATOM 267 CG LEU A 16 12.421 6.035 0.983 1.00 0.00 C ATOM 268 CD1 LEU A 16 13.241 7.203 0.430 1.00 0.00 C ATOM 269 CD2 LEU A 16 11.226 5.792 0.078 1.00 0.00 C ATOM 0 H LEU A 16 15.407 4.551 -0.124 1.00 0.00 H new ATOM 0 HA LEU A 16 14.612 5.912 2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.416 4.360 0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.661 3.990 1.607 1.00 0.00 H new ATOM 0 HG LEU A 16 12.101 6.303 1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.617 8.095 0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.093 7.391 1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.598 6.956 -0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 16 10.634 6.704 0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.574 5.504 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.612 4.993 0.493 1.00 0.00 H new ATOM 281 N SER A 17 15.530 2.880 2.713 1.00 0.00 N ATOM 282 CA SER A 17 15.735 1.849 3.718 1.00 0.00 C ATOM 283 C SER A 17 14.428 1.113 4.002 1.00 0.00 C ATOM 284 O SER A 17 14.103 0.826 5.152 1.00 0.00 O ATOM 285 CB SER A 17 16.298 2.463 5.002 1.00 0.00 C ATOM 286 OG SER A 17 16.906 3.721 4.774 1.00 0.00 O ATOM 0 H SER A 17 16.053 2.734 1.849 1.00 0.00 H new ATOM 0 HA SER A 17 16.457 1.128 3.335 1.00 0.00 H new ATOM 0 HB2 SER A 17 15.495 2.577 5.730 1.00 0.00 H new ATOM 0 HB3 SER A 17 17.029 1.782 5.438 1.00 0.00 H new ATOM 0 HG SER A 17 17.250 4.076 5.620 1.00 0.00 H new ATOM 292 N VAL A 18 13.687 0.790 2.944 1.00 0.00 N ATOM 293 CA VAL A 18 12.416 0.087 3.089 1.00 0.00 C ATOM 294 C VAL A 18 12.603 -1.231 3.836 1.00 0.00 C ATOM 295 O VAL A 18 11.669 -1.754 4.439 1.00 0.00 O ATOM 296 CB VAL A 18 11.773 -0.190 1.718 1.00 0.00 C ATOM 297 CG1 VAL A 18 10.373 -0.757 1.882 1.00 0.00 C ATOM 298 CG2 VAL A 18 11.753 1.073 0.868 1.00 0.00 C ATOM 0 H VAL A 18 13.944 1.003 1.980 1.00 0.00 H new ATOM 0 HA VAL A 18 11.754 0.733 3.665 1.00 0.00 H new ATOM 0 HB VAL A 18 12.378 -0.935 1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.939 -0.945 0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.422 -1.691 2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.752 -0.043 2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.295 0.855 -0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.177 1.845 1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.773 1.424 0.714 1.00 0.00 H new ATOM 308 N GLU A 19 13.823 -1.762 3.800 1.00 0.00 N ATOM 309 CA GLU A 19 14.135 -3.015 4.476 1.00 0.00 C ATOM 310 C GLU A 19 14.175 -2.836 5.990 1.00 0.00 C ATOM 311 O GLU A 19 14.031 -3.803 6.744 1.00 0.00 O ATOM 312 CB GLU A 19 15.475 -3.571 3.987 1.00 0.00 C ATOM 313 CG GLU A 19 16.608 -2.557 4.071 1.00 0.00 C ATOM 314 CD GLU A 19 17.960 -3.219 4.253 1.00 0.00 C ATOM 315 OE1 GLU A 19 18.563 -3.611 3.230 1.00 0.00 O ATOM 316 OE2 GLU A 19 18.408 -3.315 5.416 1.00 0.00 O ATOM 0 H GLU A 19 14.612 -1.342 3.308 1.00 0.00 H new ATOM 0 HA GLU A 19 13.342 -3.723 4.234 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.736 -4.448 4.579 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.369 -3.904 2.954 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.621 -1.954 3.163 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.424 -1.877 4.903 1.00 0.00 H new ATOM 323 N LYS A 20 14.332 -1.593 6.429 1.00 0.00 N ATOM 324 CA LYS A 20 14.368 -1.286 7.849 1.00 0.00 C ATOM 325 C LYS A 20 12.968 -1.001 8.379 1.00 0.00 C ATOM 326 O LYS A 20 12.781 -0.875 9.588 1.00 0.00 O ATOM 327 CB LYS A 20 15.284 -0.087 8.093 1.00 0.00 C ATOM 328 CG LYS A 20 16.568 -0.120 7.276 1.00 0.00 C ATOM 329 CD LYS A 20 17.577 0.893 7.796 1.00 0.00 C ATOM 330 CE LYS A 20 18.473 0.287 8.865 1.00 0.00 C ATOM 331 NZ LYS A 20 17.878 0.416 10.221 1.00 0.00 N ATOM 0 H LYS A 20 14.436 -0.782 5.819 1.00 0.00 H new ATOM 0 HA LYS A 20 14.760 -2.151 8.384 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.739 0.828 7.860 1.00 0.00 H new ATOM 0 HB3 LYS A 20 15.539 -0.046 9.152 1.00 0.00 H new ATOM 0 HG2 LYS A 20 17.000 -1.120 7.313 1.00 0.00 H new ATOM 0 HG3 LYS A 20 16.343 0.091 6.231 1.00 0.00 H new ATOM 0 HD2 LYS A 20 18.188 1.256 6.970 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.051 1.755 8.206 1.00 0.00 H new ATOM 0 HE2 LYS A 20 18.644 -0.766 8.642 1.00 0.00 H new ATOM 0 HE3 LYS A 20 19.445 0.779 8.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 18.637 0.468 10.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.302 1.281 10.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.277 -0.410 10.417 1.00 0.00 H new ATOM 345 N TRP A 21 11.994 -0.916 7.478 1.00 0.00 N ATOM 346 CA TRP A 21 10.616 -0.628 7.863 1.00 0.00 C ATOM 347 C TRP A 21 9.930 -1.883 8.388 1.00 0.00 C ATOM 348 O TRP A 21 10.316 -3.004 8.049 1.00 0.00 O ATOM 349 CB TRP A 21 9.845 -0.072 6.666 1.00 0.00 C ATOM 350 CG TRP A 21 10.419 1.205 6.136 1.00 0.00 C ATOM 351 CD1 TRP A 21 11.492 1.890 6.640 1.00 0.00 C ATOM 352 CD2 TRP A 21 9.946 1.944 4.995 1.00 0.00 C ATOM 353 NE1 TRP A 21 11.683 3.008 5.889 1.00 0.00 N ATOM 354 CE2 TRP A 21 10.774 3.074 4.864 1.00 0.00 C ATOM 355 CE3 TRP A 21 8.909 1.766 4.072 1.00 0.00 C ATOM 356 CZ2 TRP A 21 10.600 4.016 3.844 1.00 0.00 C ATOM 357 CZ3 TRP A 21 8.729 2.699 3.063 1.00 0.00 C ATOM 358 CH2 TRP A 21 9.571 3.815 2.952 1.00 0.00 C ATOM 0 H TRP A 21 12.133 -1.043 6.476 1.00 0.00 H new ATOM 0 HA TRP A 21 10.628 0.117 8.659 1.00 0.00 H new ATOM 0 HB2 TRP A 21 9.836 -0.817 5.870 1.00 0.00 H new ATOM 0 HB3 TRP A 21 8.808 0.096 6.956 1.00 0.00 H new ATOM 0 HD1 TRP A 21 12.087 1.593 7.491 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.407 3.705 6.065 1.00 0.00 H new ATOM 0 HE3 TRP A 21 8.255 0.910 4.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 11.252 4.873 3.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.928 2.565 2.351 1.00 0.00 H new ATOM 0 HH2 TRP A 21 9.410 4.527 2.156 1.00 0.00 H new ATOM 369 N PRO A 22 8.901 -1.703 9.226 1.00 0.00 N ATOM 370 CA PRO A 22 8.154 -2.819 9.801 1.00 0.00 C ATOM 371 C PRO A 22 7.309 -3.548 8.758 1.00 0.00 C ATOM 372 O PRO A 22 6.575 -2.926 7.989 1.00 0.00 O ATOM 373 CB PRO A 22 7.267 -2.141 10.846 1.00 0.00 C ATOM 374 CG PRO A 22 7.108 -0.734 10.366 1.00 0.00 C ATOM 375 CD PRO A 22 8.398 -0.400 9.674 1.00 0.00 C ATOM 0 HA PRO A 22 8.808 -3.587 10.214 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.302 -2.641 10.929 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.727 -2.171 11.834 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.262 -0.645 9.684 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.921 -0.054 11.197 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.238 0.277 8.835 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.100 0.089 10.350 1.00 0.00 H new ATOM 383 N ILE A 23 7.414 -4.873 8.737 1.00 0.00 N ATOM 384 CA ILE A 23 6.645 -5.682 7.798 1.00 0.00 C ATOM 385 C ILE A 23 5.223 -5.894 8.306 1.00 0.00 C ATOM 386 O ILE A 23 5.007 -6.097 9.501 1.00 0.00 O ATOM 387 CB ILE A 23 7.316 -7.049 7.561 1.00 0.00 C ATOM 388 CG1 ILE A 23 8.625 -6.869 6.783 1.00 0.00 C ATOM 389 CG2 ILE A 23 6.366 -7.981 6.809 1.00 0.00 C ATOM 390 CD1 ILE A 23 9.374 -8.185 6.572 1.00 0.00 C ATOM 0 H ILE A 23 8.022 -5.408 9.357 1.00 0.00 H new ATOM 0 HA ILE A 23 6.610 -5.141 6.853 1.00 0.00 H new ATOM 0 HB ILE A 23 7.548 -7.499 8.526 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.408 -6.420 5.814 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.269 -6.172 7.320 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.852 -8.943 6.648 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.459 -8.126 7.396 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.109 -7.539 5.846 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.292 -7.996 6.016 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.619 -8.623 7.539 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.745 -8.876 6.010 1.00 0.00 H new ATOM 402 N TRP A 24 4.261 -5.859 7.389 1.00 0.00 N ATOM 403 CA TRP A 24 2.862 -6.076 7.735 1.00 0.00 C ATOM 404 C TRP A 24 2.174 -6.930 6.677 1.00 0.00 C ATOM 405 O TRP A 24 2.073 -6.535 5.515 1.00 0.00 O ATOM 406 CB TRP A 24 2.146 -4.734 7.880 1.00 0.00 C ATOM 407 CG TRP A 24 0.688 -4.858 8.194 1.00 0.00 C ATOM 408 CD1 TRP A 24 0.125 -4.909 9.435 1.00 0.00 C ATOM 409 CD2 TRP A 24 -0.392 -4.954 7.254 1.00 0.00 C ATOM 410 NE1 TRP A 24 -1.242 -5.043 9.321 1.00 0.00 N ATOM 411 CE2 TRP A 24 -1.588 -5.069 7.993 1.00 0.00 C ATOM 412 CE3 TRP A 24 -0.465 -4.953 5.857 1.00 0.00 C ATOM 413 CZ2 TRP A 24 -2.833 -5.175 7.376 1.00 0.00 C ATOM 414 CZ3 TRP A 24 -1.701 -5.061 5.240 1.00 0.00 C ATOM 415 CH2 TRP A 24 -2.873 -5.166 6.002 1.00 0.00 C ATOM 0 H TRP A 24 4.426 -5.682 6.398 1.00 0.00 H new ATOM 0 HA TRP A 24 2.817 -6.607 8.686 1.00 0.00 H new ATOM 0 HB2 TRP A 24 2.630 -4.158 8.668 1.00 0.00 H new ATOM 0 HB3 TRP A 24 2.262 -4.169 6.955 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.668 -4.853 10.367 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -1.895 -5.112 10.102 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.434 -4.869 5.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.738 -5.262 7.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.762 -5.064 4.162 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.826 -5.241 5.500 1.00 0.00 H new ATOM 426 N GLU A 25 1.709 -8.105 7.088 1.00 0.00 N ATOM 427 CA GLU A 25 1.010 -9.012 6.188 1.00 0.00 C ATOM 428 C GLU A 25 -0.433 -9.217 6.640 1.00 0.00 C ATOM 429 O GLU A 25 -0.745 -9.101 7.829 1.00 0.00 O ATOM 430 CB GLU A 25 1.740 -10.354 6.125 1.00 0.00 C ATOM 431 CG GLU A 25 2.350 -10.784 7.454 1.00 0.00 C ATOM 432 CD GLU A 25 2.273 -12.282 7.669 1.00 0.00 C ATOM 433 OE1 GLU A 25 2.122 -13.007 6.659 1.00 0.00 O ATOM 434 OE2 GLU A 25 2.409 -12.726 8.831 1.00 0.00 O ATOM 0 H GLU A 25 1.805 -8.451 8.043 1.00 0.00 H new ATOM 0 HA GLU A 25 0.997 -8.568 5.193 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.042 -11.122 5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.530 -10.293 5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.392 -10.468 7.491 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.834 -10.276 8.269 1.00 0.00 H new ATOM 441 N LYS A 26 -1.302 -9.543 5.683 1.00 0.00 N ATOM 442 CA LYS A 26 -2.710 -9.789 5.971 1.00 0.00 C ATOM 443 C LYS A 26 -3.203 -11.042 5.255 1.00 0.00 C ATOM 444 O LYS A 26 -2.566 -11.518 4.316 1.00 0.00 O ATOM 445 CB LYS A 26 -3.548 -8.577 5.551 1.00 0.00 C ATOM 446 CG LYS A 26 -4.297 -7.939 6.710 1.00 0.00 C ATOM 447 CD LYS A 26 -5.456 -8.808 7.164 1.00 0.00 C ATOM 448 CE LYS A 26 -6.396 -8.037 8.081 1.00 0.00 C ATOM 449 NZ LYS A 26 -6.625 -8.767 9.358 1.00 0.00 N ATOM 0 H LYS A 26 -1.052 -9.642 4.699 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.819 -9.946 7.044 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.896 -7.833 5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.264 -8.884 4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.613 -7.778 7.543 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.670 -6.960 6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.006 -9.168 6.295 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.074 -9.685 7.685 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.976 -7.054 8.292 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.348 -7.875 7.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.597 -8.597 9.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.484 -9.786 9.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.954 -8.428 10.077 1.00 0.00 H new ATOM 463 N GLU A 27 -4.342 -11.564 5.705 1.00 0.00 N ATOM 464 CA GLU A 27 -4.936 -12.750 5.099 1.00 0.00 C ATOM 465 C GLU A 27 -5.484 -12.444 3.712 1.00 0.00 C ATOM 466 O GLU A 27 -5.466 -11.294 3.272 1.00 0.00 O ATOM 467 CB GLU A 27 -6.043 -13.310 5.992 1.00 0.00 C ATOM 468 CG GLU A 27 -7.185 -12.332 6.228 1.00 0.00 C ATOM 469 CD GLU A 27 -7.230 -11.818 7.659 1.00 0.00 C ATOM 470 OE1 GLU A 27 -6.155 -11.711 8.286 1.00 0.00 O ATOM 471 OE2 GLU A 27 -8.332 -11.487 8.142 1.00 0.00 O ATOM 0 H GLU A 27 -4.872 -11.182 6.489 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.152 -13.500 4.996 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.440 -14.218 5.538 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.615 -13.595 6.953 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.082 -11.488 5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.131 -12.820 5.991 1.00 0.00 H new ATOM 478 N VAL A 28 -5.985 -13.473 3.036 1.00 0.00 N ATOM 479 CA VAL A 28 -6.550 -13.308 1.700 1.00 0.00 C ATOM 480 C VAL A 28 -7.947 -12.696 1.758 1.00 0.00 C ATOM 481 O VAL A 28 -8.572 -12.427 0.732 1.00 0.00 O ATOM 482 CB VAL A 28 -6.620 -14.657 0.965 1.00 0.00 C ATOM 483 CG1 VAL A 28 -7.066 -14.470 -0.480 1.00 0.00 C ATOM 484 CG2 VAL A 28 -5.274 -15.366 1.019 1.00 0.00 C ATOM 0 H VAL A 28 -6.012 -14.429 3.390 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.892 -12.632 1.155 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.360 -15.278 1.470 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.107 -15.439 -0.977 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.054 -14.010 -0.499 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.356 -13.826 -0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.343 -16.319 0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.516 -14.744 0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.998 -15.544 2.058 1.00 0.00 H new ATOM 494 N SER A 29 -8.452 -12.500 2.968 1.00 0.00 N ATOM 495 CA SER A 29 -9.771 -11.907 3.120 1.00 0.00 C ATOM 496 C SER A 29 -9.749 -10.407 2.902 1.00 0.00 C ATOM 497 O SER A 29 -8.691 -9.814 2.727 1.00 0.00 O ATOM 498 CB SER A 29 -10.290 -12.164 4.475 1.00 0.00 C ATOM 499 OG SER A 29 -11.664 -12.018 4.498 1.00 0.00 O ATOM 0 H SER A 29 -7.980 -12.737 3.841 1.00 0.00 H new ATOM 0 HA SER A 29 -10.411 -12.365 2.366 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.019 -13.172 4.790 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.832 -11.474 5.184 1.00 0.00 H new ATOM 0 HG SER A 29 -11.996 -12.193 5.403 1.00 0.00 H new ATOM 505 N GLU A 30 -10.930 -9.801 2.900 1.00 0.00 N ATOM 506 CA GLU A 30 -11.054 -8.376 2.653 1.00 0.00 C ATOM 507 C GLU A 30 -11.408 -7.641 3.939 1.00 0.00 C ATOM 508 O GLU A 30 -11.652 -8.264 4.975 1.00 0.00 O ATOM 509 CB GLU A 30 -12.119 -8.114 1.586 1.00 0.00 C ATOM 510 CG GLU A 30 -13.441 -8.819 1.859 1.00 0.00 C ATOM 511 CD GLU A 30 -13.627 -10.045 0.983 1.00 0.00 C ATOM 512 OE1 GLU A 30 -12.875 -11.026 1.169 1.00 0.00 O ATOM 513 OE2 GLU A 30 -14.509 -10.009 0.098 1.00 0.00 O ATOM 0 H GLU A 30 -11.816 -10.279 3.067 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.095 -8.003 2.292 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.296 -7.041 1.517 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.738 -8.437 0.617 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.484 -9.113 2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.264 -8.124 1.689 1.00 0.00 H new ATOM 520 N PHE A 31 -11.437 -6.311 3.860 1.00 0.00 N ATOM 521 CA PHE A 31 -11.726 -5.477 5.026 1.00 0.00 C ATOM 522 C PHE A 31 -11.657 -3.999 4.650 1.00 0.00 C ATOM 523 O PHE A 31 -11.389 -3.643 3.502 1.00 0.00 O ATOM 524 CB PHE A 31 -10.749 -5.765 6.176 1.00 0.00 C ATOM 525 CG PHE A 31 -9.299 -5.715 5.780 1.00 0.00 C ATOM 526 CD1 PHE A 31 -8.651 -4.502 5.594 1.00 0.00 C ATOM 527 CD2 PHE A 31 -8.598 -6.890 5.554 1.00 0.00 C ATOM 528 CE1 PHE A 31 -7.323 -4.467 5.199 1.00 0.00 C ATOM 529 CE2 PHE A 31 -7.269 -6.861 5.166 1.00 0.00 C ATOM 530 CZ PHE A 31 -6.630 -5.646 4.985 1.00 0.00 C ATOM 0 H PHE A 31 -11.264 -5.788 3.001 1.00 0.00 H new ATOM 0 HA PHE A 31 -12.734 -5.718 5.364 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.921 -5.043 6.974 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -10.968 -6.751 6.586 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.186 -3.578 5.758 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.095 -7.840 5.682 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.828 -3.518 5.058 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.732 -7.784 5.005 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.595 -5.618 4.678 1.00 0.00 H new ATOM 540 N ASP A 32 -11.906 -3.137 5.629 1.00 0.00 N ATOM 541 CA ASP A 32 -11.896 -1.693 5.418 1.00 0.00 C ATOM 542 C ASP A 32 -10.847 -1.012 6.298 1.00 0.00 C ATOM 543 O ASP A 32 -10.973 -1.024 7.517 1.00 0.00 O ATOM 544 CB ASP A 32 -13.288 -1.109 5.695 1.00 0.00 C ATOM 545 CG ASP A 32 -13.947 -1.708 6.923 1.00 0.00 C ATOM 546 OD1 ASP A 32 -14.445 -2.852 6.825 1.00 0.00 O ATOM 547 OD2 ASP A 32 -13.979 -1.020 7.964 1.00 0.00 O ATOM 0 H ASP A 32 -12.119 -3.416 6.586 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.633 -1.504 4.377 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.204 -0.030 5.824 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.926 -1.278 4.828 1.00 0.00 H new ATOM 552 N TRP A 33 -9.802 -0.472 5.696 1.00 0.00 N ATOM 553 CA TRP A 33 -8.734 0.205 6.449 1.00 0.00 C ATOM 554 C TRP A 33 -8.963 1.695 6.451 1.00 0.00 C ATOM 555 O TRP A 33 -9.540 2.246 5.514 1.00 0.00 O ATOM 556 CB TRP A 33 -7.320 -0.033 5.840 1.00 0.00 C ATOM 557 CG TRP A 33 -6.233 -0.025 6.817 1.00 0.00 C ATOM 558 CD1 TRP A 33 -5.403 1.026 7.003 1.00 0.00 C ATOM 559 CD2 TRP A 33 -5.861 -1.031 7.787 1.00 0.00 C ATOM 560 NE1 TRP A 33 -4.503 0.738 7.997 1.00 0.00 N ATOM 561 CE2 TRP A 33 -4.758 -0.514 8.502 1.00 0.00 C ATOM 562 CE3 TRP A 33 -6.316 -2.319 8.112 1.00 0.00 C ATOM 563 CZ2 TRP A 33 -4.118 -1.231 9.513 1.00 0.00 C ATOM 564 CZ3 TRP A 33 -5.679 -3.033 9.118 1.00 0.00 C ATOM 565 CH2 TRP A 33 -4.588 -2.487 9.812 1.00 0.00 C ATOM 0 H TRP A 33 -9.660 -0.484 4.686 1.00 0.00 H new ATOM 0 HA TRP A 33 -8.768 -0.214 7.455 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -7.318 -0.991 5.320 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -7.126 0.736 5.092 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -5.443 1.954 6.451 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -3.758 1.359 8.313 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -7.154 -2.750 7.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.277 -0.811 10.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -6.028 -4.023 9.370 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -4.111 -3.062 10.592 1.00 0.00 H new ATOM 576 N TYR A 34 -8.477 2.341 7.501 1.00 0.00 N ATOM 577 CA TYR A 34 -8.614 3.786 7.623 1.00 0.00 C ATOM 578 C TYR A 34 -7.274 4.420 7.977 1.00 0.00 C ATOM 579 O TYR A 34 -6.750 4.197 9.075 1.00 0.00 O ATOM 580 CB TYR A 34 -9.663 4.130 8.683 1.00 0.00 C ATOM 581 CG TYR A 34 -10.147 5.563 8.606 1.00 0.00 C ATOM 582 CD1 TYR A 34 -9.281 6.624 8.860 1.00 0.00 C ATOM 583 CD2 TYR A 34 -11.467 5.855 8.280 1.00 0.00 C ATOM 584 CE1 TYR A 34 -9.719 7.934 8.780 1.00 0.00 C ATOM 585 CE2 TYR A 34 -11.917 7.159 8.206 1.00 0.00 C ATOM 586 CZ TYR A 34 -11.033 8.198 8.444 1.00 0.00 C ATOM 587 OH TYR A 34 -11.455 9.521 8.338 1.00 0.00 O ATOM 0 H TYR A 34 -7.988 1.892 8.275 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.942 4.187 6.664 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.515 3.460 8.571 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.243 3.949 9.672 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.253 6.421 9.123 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.154 5.046 8.081 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.037 8.747 8.979 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.949 7.366 7.965 1.00 0.00 H new ATOM 0 HH TYR A 34 -12.404 9.543 8.094 1.00 0.00 H new ATOM 597 N TYR A 35 -6.730 5.200 7.048 1.00 0.00 N ATOM 598 CA TYR A 35 -5.457 5.874 7.266 1.00 0.00 C ATOM 599 C TYR A 35 -5.676 7.267 7.845 1.00 0.00 C ATOM 600 O TYR A 35 -6.524 8.023 7.368 1.00 0.00 O ATOM 601 CB TYR A 35 -4.681 5.974 5.952 1.00 0.00 C ATOM 602 CG TYR A 35 -4.473 4.638 5.274 1.00 0.00 C ATOM 603 CD1 TYR A 35 -3.499 3.752 5.731 1.00 0.00 C ATOM 604 CD2 TYR A 35 -5.255 4.264 4.184 1.00 0.00 C ATOM 605 CE1 TYR A 35 -3.306 2.527 5.115 1.00 0.00 C ATOM 606 CE2 TYR A 35 -5.071 3.039 3.563 1.00 0.00 C ATOM 607 CZ TYR A 35 -4.094 2.175 4.033 1.00 0.00 C ATOM 608 OH TYR A 35 -3.902 0.959 3.423 1.00 0.00 O ATOM 0 H TYR A 35 -7.152 5.380 6.137 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.878 5.288 7.980 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.215 6.638 5.273 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.710 6.430 6.146 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.886 4.025 6.577 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.015 4.938 3.818 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.546 1.851 5.476 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.684 2.759 2.719 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.744 0.658 3.021 1.00 0.00 H new ATOM 618 N ASP A 36 -4.889 7.607 8.860 1.00 0.00 N ATOM 619 CA ASP A 36 -4.986 8.907 9.514 1.00 0.00 C ATOM 620 C ASP A 36 -3.637 9.614 9.525 1.00 0.00 C ATOM 621 O ASP A 36 -3.408 10.504 10.343 1.00 0.00 O ATOM 622 CB ASP A 36 -5.510 8.751 10.943 1.00 0.00 C ATOM 623 CG ASP A 36 -4.707 7.751 11.750 1.00 0.00 C ATOM 624 OD1 ASP A 36 -3.513 8.017 12.011 1.00 0.00 O ATOM 625 OD2 ASP A 36 -5.295 6.723 12.144 1.00 0.00 O ATOM 0 H ASP A 36 -4.172 6.995 9.250 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.689 9.517 8.946 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.486 9.719 11.443 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.552 8.434 10.912 1.00 0.00 H new ATOM 630 N THR A 37 -2.761 9.233 8.597 1.00 0.00 N ATOM 631 CA THR A 37 -1.426 9.813 8.505 1.00 0.00 C ATOM 632 C THR A 37 -0.644 9.198 7.353 1.00 0.00 C ATOM 633 O THR A 37 -0.859 8.042 6.990 1.00 0.00 O ATOM 634 CB THR A 37 -0.630 9.627 9.811 1.00 0.00 C ATOM 635 OG1 THR A 37 -1.266 8.635 10.624 1.00 0.00 O ATOM 636 CG2 THR A 37 -0.530 10.938 10.583 1.00 0.00 C ATOM 0 H THR A 37 -2.956 8.520 7.894 1.00 0.00 H new ATOM 0 HA THR A 37 -1.559 10.880 8.327 1.00 0.00 H new ATOM 0 HB THR A 37 0.379 9.303 9.556 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.758 8.517 11.454 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.037 10.778 11.500 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.024 11.684 9.970 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.531 11.291 10.832 1.00 0.00 H new ATOM 644 N ASN A 38 0.263 9.983 6.779 1.00 0.00 N ATOM 645 CA ASN A 38 1.087 9.525 5.667 1.00 0.00 C ATOM 646 C ASN A 38 1.769 8.204 6.008 1.00 0.00 C ATOM 647 O ASN A 38 2.737 8.173 6.765 1.00 0.00 O ATOM 648 CB ASN A 38 2.138 10.577 5.305 1.00 0.00 C ATOM 649 CG ASN A 38 1.561 11.977 5.281 1.00 0.00 C ATOM 650 OD1 ASN A 38 1.132 12.469 4.236 1.00 0.00 O ATOM 651 ND2 ASN A 38 1.516 12.618 6.446 1.00 0.00 N ATOM 0 H ASN A 38 0.446 10.944 7.068 1.00 0.00 H new ATOM 0 HA ASN A 38 0.435 9.370 4.807 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.955 10.535 6.025 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.562 10.344 4.328 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.115 13.554 6.498 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.883 12.173 7.287 1.00 0.00 H new ATOM 658 N GLU A 39 1.259 7.114 5.443 1.00 0.00 N ATOM 659 CA GLU A 39 1.805 5.787 5.701 1.00 0.00 C ATOM 660 C GLU A 39 2.212 5.127 4.388 1.00 0.00 C ATOM 661 O GLU A 39 1.445 4.370 3.792 1.00 0.00 O ATOM 662 CB GLU A 39 0.783 4.922 6.445 1.00 0.00 C ATOM 663 CG GLU A 39 1.277 3.503 6.691 1.00 0.00 C ATOM 664 CD GLU A 39 0.419 2.754 7.696 1.00 0.00 C ATOM 665 OE1 GLU A 39 -0.704 3.219 8.005 1.00 0.00 O ATOM 666 OE2 GLU A 39 0.866 1.681 8.153 1.00 0.00 O ATOM 0 H GLU A 39 0.466 7.125 4.802 1.00 0.00 H new ATOM 0 HA GLU A 39 2.689 5.887 6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.545 5.390 7.401 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.142 4.885 5.870 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.287 2.957 5.748 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.306 3.537 7.050 1.00 0.00 H new ATOM 673 N THR A 40 3.417 5.445 3.923 1.00 0.00 N ATOM 674 CA THR A 40 3.922 4.868 2.683 1.00 0.00 C ATOM 675 C THR A 40 4.002 3.349 2.778 1.00 0.00 C ATOM 676 O THR A 40 4.271 2.799 3.847 1.00 0.00 O ATOM 677 CB THR A 40 5.313 5.426 2.340 1.00 0.00 C ATOM 678 OG1 THR A 40 5.259 6.851 2.249 1.00 0.00 O ATOM 679 CG2 THR A 40 5.811 4.866 1.019 1.00 0.00 C ATOM 0 H THR A 40 4.056 6.094 4.382 1.00 0.00 H new ATOM 0 HA THR A 40 3.222 5.141 1.893 1.00 0.00 H new ATOM 0 HB THR A 40 5.999 5.129 3.133 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.149 7.199 2.032 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.797 5.276 0.799 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.876 3.780 1.086 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.118 5.140 0.223 1.00 0.00 H new ATOM 687 N CYS A 41 3.783 2.680 1.648 1.00 0.00 N ATOM 688 CA CYS A 41 3.832 1.226 1.589 1.00 0.00 C ATOM 689 C CYS A 41 4.367 0.755 0.242 1.00 0.00 C ATOM 690 O CYS A 41 3.927 1.223 -0.809 1.00 0.00 O ATOM 691 CB CYS A 41 2.435 0.636 1.841 1.00 0.00 C ATOM 692 SG CYS A 41 1.103 1.439 0.945 1.00 0.00 S ATOM 0 H CYS A 41 3.569 3.128 0.757 1.00 0.00 H new ATOM 0 HA CYS A 41 4.510 0.876 2.368 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.449 -0.420 1.573 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.220 0.691 2.908 1.00 0.00 H new ATOM 0 HG CYS A 41 1.572 2.465 0.298 1.00 0.00 H new ATOM 698 N TYR A 42 5.295 -0.195 0.279 1.00 0.00 N ATOM 699 CA TYR A 42 5.894 -0.733 -0.941 1.00 0.00 C ATOM 700 C TYR A 42 5.563 -2.207 -1.104 1.00 0.00 C ATOM 701 O TYR A 42 5.940 -3.038 -0.276 1.00 0.00 O ATOM 702 CB TYR A 42 7.412 -0.541 -0.922 1.00 0.00 C ATOM 703 CG TYR A 42 8.113 -1.158 -2.111 1.00 0.00 C ATOM 704 CD1 TYR A 42 7.855 -0.737 -3.403 1.00 0.00 C ATOM 705 CD2 TYR A 42 9.056 -2.163 -1.955 1.00 0.00 C ATOM 706 CE1 TYR A 42 8.467 -1.295 -4.499 1.00 0.00 C ATOM 707 CE2 TYR A 42 9.716 -2.706 -3.040 1.00 0.00 C ATOM 708 CZ TYR A 42 9.415 -2.274 -4.316 1.00 0.00 C ATOM 709 OH TYR A 42 10.043 -2.834 -5.421 1.00 0.00 O ATOM 0 H TYR A 42 5.650 -0.610 1.140 1.00 0.00 H new ATOM 0 HA TYR A 42 5.477 -0.188 -1.788 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.635 0.526 -0.892 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.814 -0.976 -0.007 1.00 0.00 H new ATOM 0 HD1 TYR A 42 7.144 0.062 -3.556 1.00 0.00 H new ATOM 0 HD2 TYR A 42 9.279 -2.529 -0.964 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.206 -0.968 -5.495 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.467 -3.468 -2.890 1.00 0.00 H new ATOM 0 HH TYR A 42 10.687 -3.510 -5.124 1.00 0.00 H new ATOM 719 N ILE A 43 4.827 -2.535 -2.165 1.00 0.00 N ATOM 720 CA ILE A 43 4.436 -3.913 -2.429 1.00 0.00 C ATOM 721 C ILE A 43 5.597 -4.702 -3.012 1.00 0.00 C ATOM 722 O ILE A 43 6.294 -4.214 -3.902 1.00 0.00 O ATOM 723 CB ILE A 43 3.249 -3.978 -3.405 1.00 0.00 C ATOM 724 CG1 ILE A 43 2.131 -3.031 -2.959 1.00 0.00 C ATOM 725 CG2 ILE A 43 2.731 -5.410 -3.508 1.00 0.00 C ATOM 726 CD1 ILE A 43 1.506 -3.417 -1.632 1.00 0.00 C ATOM 0 H ILE A 43 4.491 -1.863 -2.854 1.00 0.00 H new ATOM 0 HA ILE A 43 4.139 -4.351 -1.476 1.00 0.00 H new ATOM 0 HB ILE A 43 3.591 -3.659 -4.390 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.531 -2.020 -2.883 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.356 -3.011 -3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.891 -5.444 -4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.527 -6.060 -3.871 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.404 -5.750 -2.525 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.722 -2.703 -1.378 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.076 -4.416 -1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.270 -3.410 -0.854 1.00 0.00 H new ATOM 738 N LEU A 44 5.788 -5.922 -2.514 1.00 0.00 N ATOM 739 CA LEU A 44 6.861 -6.795 -2.978 1.00 0.00 C ATOM 740 C LEU A 44 6.313 -8.099 -3.539 1.00 0.00 C ATOM 741 O LEU A 44 6.910 -8.697 -4.432 1.00 0.00 O ATOM 742 CB LEU A 44 7.843 -7.089 -1.846 1.00 0.00 C ATOM 743 CG LEU A 44 8.419 -5.866 -1.129 1.00 0.00 C ATOM 744 CD1 LEU A 44 8.129 -5.952 0.362 1.00 0.00 C ATOM 745 CD2 LEU A 44 9.917 -5.753 -1.368 1.00 0.00 C ATOM 0 H LEU A 44 5.207 -6.330 -1.782 1.00 0.00 H new ATOM 0 HA LEU A 44 7.385 -6.272 -3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.341 -7.716 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.670 -7.672 -2.250 1.00 0.00 H new ATOM 0 HG LEU A 44 7.942 -4.973 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.543 -5.077 0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.051 -5.986 0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.585 -6.854 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.303 -4.876 -0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.414 -6.647 -0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.109 -5.655 -2.437 1.00 0.00 H new ATOM 757 N GLU A 45 5.175 -8.533 -3.011 1.00 0.00 N ATOM 758 CA GLU A 45 4.548 -9.769 -3.457 1.00 0.00 C ATOM 759 C GLU A 45 3.088 -9.805 -3.029 1.00 0.00 C ATOM 760 O GLU A 45 2.710 -9.152 -2.056 1.00 0.00 O ATOM 761 CB GLU A 45 5.291 -10.978 -2.887 1.00 0.00 C ATOM 762 CG GLU A 45 5.442 -10.940 -1.373 1.00 0.00 C ATOM 763 CD GLU A 45 6.302 -12.073 -0.857 1.00 0.00 C ATOM 764 OE1 GLU A 45 6.333 -13.131 -1.527 1.00 0.00 O ATOM 765 OE2 GLU A 45 6.933 -11.885 0.207 1.00 0.00 O ATOM 0 H GLU A 45 4.668 -8.046 -2.272 1.00 0.00 H new ATOM 0 HA GLU A 45 4.597 -9.808 -4.545 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.759 -11.887 -3.168 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.280 -11.034 -3.341 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.882 -9.988 -1.077 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.457 -10.993 -0.910 1.00 0.00 H new ATOM 772 N GLY A 46 2.281 -10.574 -3.756 1.00 0.00 N ATOM 773 CA GLY A 46 0.868 -10.691 -3.446 1.00 0.00 C ATOM 774 C GLY A 46 0.015 -9.775 -4.303 1.00 0.00 C ATOM 775 O GLY A 46 0.532 -9.035 -5.143 1.00 0.00 O ATOM 0 H GLY A 46 2.585 -11.122 -4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.550 -11.723 -3.593 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.708 -10.455 -2.394 1.00 0.00 H new ATOM 779 N LYS A 47 -1.297 -9.824 -4.086 1.00 0.00 N ATOM 780 CA LYS A 47 -2.233 -8.998 -4.836 1.00 0.00 C ATOM 781 C LYS A 47 -3.139 -8.212 -3.895 1.00 0.00 C ATOM 782 O LYS A 47 -3.208 -8.493 -2.699 1.00 0.00 O ATOM 783 CB LYS A 47 -3.081 -9.872 -5.767 1.00 0.00 C ATOM 784 CG LYS A 47 -2.863 -9.586 -7.245 1.00 0.00 C ATOM 785 CD LYS A 47 -3.194 -8.142 -7.592 1.00 0.00 C ATOM 786 CE LYS A 47 -4.687 -7.881 -7.477 1.00 0.00 C ATOM 787 NZ LYS A 47 -5.380 -8.266 -8.724 1.00 0.00 N ATOM 0 H LYS A 47 -1.735 -10.431 -3.393 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.658 -8.290 -5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.855 -10.920 -5.572 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.134 -9.724 -5.529 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.826 -9.795 -7.507 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.484 -10.255 -7.841 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.652 -7.471 -6.926 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.860 -7.923 -8.606 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.097 -8.444 -6.638 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.862 -6.826 -7.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.396 -8.065 -8.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.989 -7.723 -9.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.243 -9.282 -8.898 1.00 0.00 H new ATOM 801 N VAL A 48 -3.843 -7.229 -4.452 1.00 0.00 N ATOM 802 CA VAL A 48 -4.714 -6.360 -3.675 1.00 0.00 C ATOM 803 C VAL A 48 -5.503 -5.425 -4.571 1.00 0.00 C ATOM 804 O VAL A 48 -4.967 -4.926 -5.558 1.00 0.00 O ATOM 805 CB VAL A 48 -3.938 -5.550 -2.617 1.00 0.00 C ATOM 806 CG1 VAL A 48 -2.495 -5.297 -3.047 1.00 0.00 C ATOM 807 CG2 VAL A 48 -4.658 -4.249 -2.305 1.00 0.00 C ATOM 0 H VAL A 48 -3.824 -7.016 -5.449 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.411 -7.013 -3.149 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.900 -6.145 -1.704 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.981 -4.724 -2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.986 -6.250 -3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.487 -4.737 -3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.095 -3.692 -1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.742 -3.653 -3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.654 -4.468 -1.921 1.00 0.00 H new ATOM 817 N GLU A 49 -6.763 -5.187 -4.216 1.00 0.00 N ATOM 818 CA GLU A 49 -7.601 -4.282 -4.992 1.00 0.00 C ATOM 819 C GLU A 49 -8.320 -3.296 -4.061 1.00 0.00 C ATOM 820 O GLU A 49 -9.413 -3.567 -3.553 1.00 0.00 O ATOM 821 CB GLU A 49 -8.643 -5.091 -5.775 1.00 0.00 C ATOM 822 CG GLU A 49 -8.407 -5.065 -7.271 1.00 0.00 C ATOM 823 CD GLU A 49 -9.528 -5.735 -8.049 1.00 0.00 C ATOM 824 OE1 GLU A 49 -10.470 -6.272 -7.423 1.00 0.00 O ATOM 825 OE2 GLU A 49 -9.434 -5.739 -9.295 1.00 0.00 O ATOM 0 H GLU A 49 -7.221 -5.604 -3.405 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.970 -3.725 -5.685 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.629 -6.124 -5.428 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.637 -4.697 -5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.307 -4.031 -7.602 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.464 -5.564 -7.496 1.00 0.00 H new ATOM 832 N VAL A 50 -7.696 -2.151 -3.818 1.00 0.00 N ATOM 833 CA VAL A 50 -8.267 -1.120 -2.963 1.00 0.00 C ATOM 834 C VAL A 50 -9.332 -0.324 -3.706 1.00 0.00 C ATOM 835 O VAL A 50 -9.025 0.438 -4.623 1.00 0.00 O ATOM 836 CB VAL A 50 -7.180 -0.161 -2.445 1.00 0.00 C ATOM 837 CG1 VAL A 50 -7.783 0.873 -1.502 1.00 0.00 C ATOM 838 CG2 VAL A 50 -6.072 -0.938 -1.752 1.00 0.00 C ATOM 0 H VAL A 50 -6.784 -1.912 -4.206 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.727 -1.624 -2.113 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.749 0.365 -3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.999 1.542 -1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.540 1.451 -2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.241 0.367 -0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.312 -0.245 -1.392 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.487 -1.491 -0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.621 -1.636 -2.457 1.00 0.00 H new ATOM 848 N THR A 51 -10.589 -0.498 -3.309 1.00 0.00 N ATOM 849 CA THR A 51 -11.698 0.215 -3.933 1.00 0.00 C ATOM 850 C THR A 51 -12.245 1.290 -2.999 1.00 0.00 C ATOM 851 O THR A 51 -12.927 0.985 -2.018 1.00 0.00 O ATOM 852 CB THR A 51 -12.827 -0.753 -4.328 1.00 0.00 C ATOM 853 OG1 THR A 51 -12.366 -1.701 -5.294 1.00 0.00 O ATOM 854 CG2 THR A 51 -14.012 0.011 -4.905 1.00 0.00 C ATOM 0 H THR A 51 -10.865 -1.128 -2.556 1.00 0.00 H new ATOM 0 HA THR A 51 -11.315 0.691 -4.836 1.00 0.00 H new ATOM 0 HB THR A 51 -13.141 -1.281 -3.428 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.960 -2.480 -5.297 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.800 -0.691 -5.178 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.392 0.710 -4.160 1.00 0.00 H new ATOM 0 HG23 THR A 51 -13.694 0.561 -5.790 1.00 0.00 H new ATOM 862 N THR A 52 -11.935 2.548 -3.305 1.00 0.00 N ATOM 863 CA THR A 52 -12.411 3.670 -2.503 1.00 0.00 C ATOM 864 C THR A 52 -13.930 3.777 -2.563 1.00 0.00 C ATOM 865 O THR A 52 -14.552 3.327 -3.526 1.00 0.00 O ATOM 866 CB THR A 52 -11.777 4.995 -2.965 1.00 0.00 C ATOM 867 OG1 THR A 52 -12.259 5.337 -4.266 1.00 0.00 O ATOM 868 CG2 THR A 52 -10.257 4.892 -2.988 1.00 0.00 C ATOM 0 H THR A 52 -11.357 2.815 -4.102 1.00 0.00 H new ATOM 0 HA THR A 52 -12.111 3.483 -1.472 1.00 0.00 H new ATOM 0 HB THR A 52 -12.058 5.775 -2.257 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.967 4.660 -4.911 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.833 5.841 -3.318 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.893 4.660 -1.987 1.00 0.00 H new ATOM 0 HG23 THR A 52 -9.956 4.102 -3.676 1.00 0.00 H new ATOM 876 N GLU A 53 -14.520 4.376 -1.530 1.00 0.00 N ATOM 877 CA GLU A 53 -15.966 4.563 -1.474 1.00 0.00 C ATOM 878 C GLU A 53 -16.482 5.225 -2.748 1.00 0.00 C ATOM 879 O GLU A 53 -17.548 4.860 -3.247 1.00 0.00 O ATOM 880 CB GLU A 53 -16.349 5.407 -0.256 1.00 0.00 C ATOM 881 CG GLU A 53 -17.848 5.623 -0.086 1.00 0.00 C ATOM 882 CD GLU A 53 -18.185 6.996 0.553 1.00 0.00 C ATOM 883 OE1 GLU A 53 -17.750 7.298 1.671 1.00 0.00 O ATOM 884 OE2 GLU A 53 -18.926 7.803 -0.030 1.00 0.00 O ATOM 0 H GLU A 53 -14.017 4.740 -0.721 1.00 0.00 H new ATOM 0 HA GLU A 53 -16.428 3.580 -1.385 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.960 4.926 0.641 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.861 6.378 -0.334 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -18.334 5.550 -1.059 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -18.258 4.827 0.536 1.00 0.00 H new ATOM 891 N ASP A 54 -15.709 6.174 -3.275 1.00 0.00 N ATOM 892 CA ASP A 54 -16.083 6.884 -4.491 1.00 0.00 C ATOM 893 C ASP A 54 -16.411 5.903 -5.614 1.00 0.00 C ATOM 894 O ASP A 54 -17.212 6.189 -6.502 1.00 0.00 O ATOM 895 CB ASP A 54 -14.954 7.823 -4.921 1.00 0.00 C ATOM 896 CG ASP A 54 -15.476 8.978 -5.748 1.00 0.00 C ATOM 897 OD1 ASP A 54 -15.864 8.701 -6.904 1.00 0.00 O ATOM 898 OD2 ASP A 54 -15.491 10.129 -5.244 1.00 0.00 O ATOM 0 H ASP A 54 -14.818 6.467 -2.875 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.975 7.475 -4.283 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.444 8.208 -4.038 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.216 7.266 -5.498 1.00 0.00 H new ATOM 903 N GLY A 55 -15.779 4.734 -5.582 1.00 0.00 N ATOM 904 CA GLY A 55 -16.016 3.718 -6.596 1.00 0.00 C ATOM 905 C GLY A 55 -14.786 3.470 -7.454 1.00 0.00 C ATOM 906 O GLY A 55 -14.809 2.644 -8.366 1.00 0.00 O ATOM 0 H GLY A 55 -15.102 4.469 -4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -16.315 2.787 -6.113 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -16.845 4.028 -7.232 1.00 0.00 H new ATOM 910 N LYS A 56 -13.701 4.181 -7.160 1.00 0.00 N ATOM 911 CA LYS A 56 -12.460 4.031 -7.913 1.00 0.00 C ATOM 912 C LYS A 56 -11.638 2.875 -7.360 1.00 0.00 C ATOM 913 O LYS A 56 -11.208 2.908 -6.206 1.00 0.00 O ATOM 914 CB LYS A 56 -11.641 5.321 -7.855 1.00 0.00 C ATOM 915 CG LYS A 56 -12.289 6.469 -8.608 1.00 0.00 C ATOM 916 CD LYS A 56 -11.440 6.904 -9.792 1.00 0.00 C ATOM 917 CE LYS A 56 -12.233 7.822 -10.713 1.00 0.00 C ATOM 918 NZ LYS A 56 -11.412 8.960 -11.184 1.00 0.00 N ATOM 0 H LYS A 56 -13.656 4.866 -6.406 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.715 3.819 -8.951 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.501 5.610 -6.813 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.650 5.135 -8.270 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.276 6.166 -8.958 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.435 7.313 -7.933 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.548 7.419 -9.437 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.103 6.028 -10.346 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.595 7.254 -11.570 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.110 8.198 -10.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.983 9.565 -11.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.087 9.515 -10.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.589 8.601 -11.708 1.00 0.00 H new ATOM 932 N LYS A 57 -11.444 1.846 -8.180 1.00 0.00 N ATOM 933 CA LYS A 57 -10.661 0.688 -7.774 1.00 0.00 C ATOM 934 C LYS A 57 -9.170 0.972 -7.893 1.00 0.00 C ATOM 935 O LYS A 57 -8.752 1.832 -8.670 1.00 0.00 O ATOM 936 CB LYS A 57 -11.021 -0.526 -8.628 1.00 0.00 C ATOM 937 CG LYS A 57 -12.502 -0.685 -8.884 1.00 0.00 C ATOM 938 CD LYS A 57 -12.982 -2.109 -8.695 1.00 0.00 C ATOM 939 CE LYS A 57 -14.498 -2.157 -8.567 1.00 0.00 C ATOM 940 NZ LYS A 57 -14.922 -2.733 -7.264 1.00 0.00 N ATOM 0 H LYS A 57 -11.818 1.792 -9.127 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.895 0.475 -6.731 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.504 -0.449 -9.585 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.650 -1.425 -8.136 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.055 -0.028 -8.212 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.727 -0.363 -9.901 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.665 -2.720 -9.540 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.524 -2.536 -7.803 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.904 -1.151 -8.669 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.913 -2.752 -9.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.957 -2.672 -7.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.629 -3.729 -7.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.478 -2.201 -6.488 1.00 0.00 H new ATOM 954 N TYR A 58 -8.372 0.223 -7.139 1.00 0.00 N ATOM 955 CA TYR A 58 -6.927 0.393 -7.141 1.00 0.00 C ATOM 956 C TYR A 58 -6.219 -0.927 -6.879 1.00 0.00 C ATOM 957 O TYR A 58 -5.996 -1.306 -5.730 1.00 0.00 O ATOM 958 CB TYR A 58 -6.503 1.430 -6.102 1.00 0.00 C ATOM 959 CG TYR A 58 -7.030 2.820 -6.371 1.00 0.00 C ATOM 960 CD1 TYR A 58 -6.378 3.664 -7.263 1.00 0.00 C ATOM 961 CD2 TYR A 58 -8.175 3.292 -5.734 1.00 0.00 C ATOM 962 CE1 TYR A 58 -6.854 4.938 -7.514 1.00 0.00 C ATOM 963 CE2 TYR A 58 -8.661 4.564 -5.985 1.00 0.00 C ATOM 964 CZ TYR A 58 -7.998 5.384 -6.877 1.00 0.00 C ATOM 965 OH TYR A 58 -8.478 6.648 -7.135 1.00 0.00 O ATOM 0 H TYR A 58 -8.706 -0.512 -6.516 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.637 0.748 -8.130 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.846 1.106 -5.119 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.414 1.466 -6.063 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.487 3.320 -7.767 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.693 2.655 -5.032 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.334 5.583 -8.206 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.553 4.913 -5.486 1.00 0.00 H new ATOM 0 HH TYR A 58 -9.289 6.804 -6.607 1.00 0.00 H new ATOM 975 N VAL A 59 -5.880 -1.634 -7.950 1.00 0.00 N ATOM 976 CA VAL A 59 -5.191 -2.912 -7.841 1.00 0.00 C ATOM 977 C VAL A 59 -3.683 -2.711 -7.696 1.00 0.00 C ATOM 978 O VAL A 59 -3.040 -2.086 -8.539 1.00 0.00 O ATOM 979 CB VAL A 59 -5.471 -3.810 -9.056 1.00 0.00 C ATOM 980 CG1 VAL A 59 -5.358 -3.010 -10.334 1.00 0.00 C ATOM 981 CG2 VAL A 59 -4.516 -4.997 -9.082 1.00 0.00 C ATOM 0 H VAL A 59 -6.073 -1.341 -8.908 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.575 -3.404 -6.948 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.488 -4.195 -8.974 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.559 -3.658 -11.188 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.082 -2.195 -10.319 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.352 -2.600 -10.419 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.732 -5.619 -9.950 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.489 -4.637 -9.141 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.642 -5.586 -8.173 1.00 0.00 H new ATOM 991 N ILE A 60 -3.121 -3.259 -6.625 1.00 0.00 N ATOM 992 CA ILE A 60 -1.702 -3.161 -6.354 1.00 0.00 C ATOM 993 C ILE A 60 -1.024 -4.522 -6.440 1.00 0.00 C ATOM 994 O ILE A 60 -1.604 -5.537 -6.057 1.00 0.00 O ATOM 995 CB ILE A 60 -1.475 -2.546 -4.967 1.00 0.00 C ATOM 996 CG1 ILE A 60 -2.711 -2.559 -4.113 1.00 0.00 C ATOM 997 CG2 ILE A 60 -1.059 -1.135 -5.101 1.00 0.00 C ATOM 998 CD1 ILE A 60 -3.470 -1.248 -4.142 1.00 0.00 C ATOM 0 H ILE A 60 -3.642 -3.783 -5.922 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.258 -2.517 -7.113 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.706 -3.155 -4.491 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.369 -3.360 -4.450 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.432 -2.787 -3.084 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.900 -0.707 -4.111 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.132 -1.082 -5.672 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.837 -0.574 -5.618 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.351 -1.324 -3.505 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.827 -0.447 -3.778 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.779 -1.029 -5.164 1.00 0.00 H new ATOM 1010 N GLU A 61 0.205 -4.530 -6.945 1.00 0.00 N ATOM 1011 CA GLU A 61 0.956 -5.769 -7.076 1.00 0.00 C ATOM 1012 C GLU A 61 2.418 -5.547 -6.707 1.00 0.00 C ATOM 1013 O GLU A 61 2.791 -4.469 -6.243 1.00 0.00 O ATOM 1014 CB GLU A 61 0.860 -6.299 -8.511 1.00 0.00 C ATOM 1015 CG GLU A 61 -0.386 -7.130 -8.758 1.00 0.00 C ATOM 1016 CD GLU A 61 -0.183 -8.175 -9.840 1.00 0.00 C ATOM 1017 OE1 GLU A 61 0.709 -9.035 -9.671 1.00 0.00 O ATOM 1018 OE2 GLU A 61 -0.912 -8.118 -10.852 1.00 0.00 O ATOM 0 H GLU A 61 0.698 -3.697 -7.268 1.00 0.00 H new ATOM 0 HA GLU A 61 0.527 -6.504 -6.395 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.871 -5.458 -9.204 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.741 -6.903 -8.728 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.679 -7.623 -7.831 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.207 -6.472 -9.042 1.00 0.00 H new ATOM 1025 N LYS A 62 3.242 -6.570 -6.914 1.00 0.00 N ATOM 1026 CA LYS A 62 4.670 -6.491 -6.620 1.00 0.00 C ATOM 1027 C LYS A 62 5.387 -5.556 -7.588 1.00 0.00 C ATOM 1028 O LYS A 62 6.200 -5.989 -8.405 1.00 0.00 O ATOM 1029 CB LYS A 62 5.291 -7.885 -6.672 1.00 0.00 C ATOM 1030 CG LYS A 62 5.105 -8.617 -7.984 1.00 0.00 C ATOM 1031 CD LYS A 62 4.507 -9.998 -7.784 1.00 0.00 C ATOM 1032 CE LYS A 62 3.016 -10.042 -8.106 1.00 0.00 C ATOM 1033 NZ LYS A 62 2.465 -11.418 -7.989 1.00 0.00 N ATOM 0 H LYS A 62 2.942 -7.471 -7.287 1.00 0.00 H new ATOM 0 HA LYS A 62 4.787 -6.083 -5.616 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.358 -7.799 -6.469 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.862 -8.488 -5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.457 -8.032 -8.637 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.067 -8.708 -8.488 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.033 -10.713 -8.416 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.662 -10.311 -6.752 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.479 -9.377 -7.430 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.852 -9.670 -9.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.450 -11.406 -8.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.960 -12.048 -8.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.599 -11.764 -7.017 1.00 0.00 H new ATOM 1047 N GLY A 63 5.074 -4.269 -7.499 1.00 0.00 N ATOM 1048 CA GLY A 63 5.692 -3.296 -8.377 1.00 0.00 C ATOM 1049 C GLY A 63 4.898 -2.015 -8.465 1.00 0.00 C ATOM 1050 O GLY A 63 4.816 -1.422 -9.540 1.00 0.00 O ATOM 0 H GLY A 63 4.403 -3.883 -6.835 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.697 -3.074 -8.018 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.797 -3.725 -9.374 1.00 0.00 H new ATOM 1054 N ASP A 64 4.313 -1.582 -7.347 1.00 0.00 N ATOM 1055 CA ASP A 64 3.526 -0.362 -7.302 1.00 0.00 C ATOM 1056 C ASP A 64 3.512 0.227 -5.893 1.00 0.00 C ATOM 1057 O ASP A 64 2.802 -0.266 -5.006 1.00 0.00 O ATOM 1058 CB ASP A 64 2.095 -0.635 -7.774 1.00 0.00 C ATOM 1059 CG ASP A 64 2.037 -1.118 -9.217 1.00 0.00 C ATOM 1060 OD1 ASP A 64 2.165 -0.318 -10.186 1.00 0.00 O ATOM 1061 OD2 ASP A 64 1.804 -2.328 -9.425 1.00 0.00 O ATOM 0 H ASP A 64 4.375 -2.070 -6.453 1.00 0.00 H new ATOM 0 HA ASP A 64 3.987 0.364 -7.972 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.639 -1.383 -7.126 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.504 0.275 -7.675 1.00 0.00 H new ATOM 1066 N LEU A 65 4.298 1.274 -5.680 1.00 0.00 N ATOM 1067 CA LEU A 65 4.388 1.923 -4.376 1.00 0.00 C ATOM 1068 C LEU A 65 3.214 2.864 -4.166 1.00 0.00 C ATOM 1069 O LEU A 65 2.939 3.710 -5.017 1.00 0.00 O ATOM 1070 CB LEU A 65 5.692 2.709 -4.271 1.00 0.00 C ATOM 1071 CG LEU A 65 6.438 2.518 -2.966 1.00 0.00 C ATOM 1072 CD1 LEU A 65 7.962 2.471 -3.254 1.00 0.00 C ATOM 1073 CD2 LEU A 65 6.065 3.643 -1.910 1.00 0.00 C ATOM 0 H LEU A 65 4.887 1.695 -6.398 1.00 0.00 H new ATOM 0 HA LEU A 65 4.366 1.151 -3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.345 2.417 -5.094 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.474 3.769 -4.398 1.00 0.00 H new ATOM 0 HG LEU A 65 6.138 1.571 -2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.505 2.334 -2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.180 1.640 -3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.273 3.406 -3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.619 3.473 -0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.324 4.622 -2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.995 3.607 -1.703 1.00 0.00 H new ATOM 1085 N VAL A 66 2.538 2.714 -3.031 1.00 0.00 N ATOM 1086 CA VAL A 66 1.392 3.556 -2.713 1.00 0.00 C ATOM 1087 C VAL A 66 1.657 4.372 -1.450 1.00 0.00 C ATOM 1088 O VAL A 66 2.345 3.919 -0.534 1.00 0.00 O ATOM 1089 CB VAL A 66 0.114 2.713 -2.531 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -1.119 3.608 -2.522 1.00 0.00 C ATOM 1091 CG2 VAL A 66 0.004 1.663 -3.628 1.00 0.00 C ATOM 0 H VAL A 66 2.764 2.019 -2.319 1.00 0.00 H new ATOM 0 HA VAL A 66 1.241 4.236 -3.551 1.00 0.00 H new ATOM 0 HB VAL A 66 0.175 2.200 -1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.012 2.996 -2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.045 4.321 -1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.183 4.148 -3.466 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.904 1.078 -3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.033 2.155 -4.600 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.871 1.003 -3.588 1.00 0.00 H new ATOM 1101 N THR A 67 1.101 5.580 -1.405 1.00 0.00 N ATOM 1102 CA THR A 67 1.258 6.454 -0.248 1.00 0.00 C ATOM 1103 C THR A 67 -0.028 7.238 0.024 1.00 0.00 C ATOM 1104 O THR A 67 -0.314 8.227 -0.685 1.00 0.00 O ATOM 1105 CB THR A 67 2.425 7.437 -0.456 1.00 0.00 C ATOM 1106 OG1 THR A 67 3.621 6.750 -0.833 1.00 0.00 O ATOM 1107 CG2 THR A 67 2.678 8.235 0.815 1.00 0.00 C ATOM 0 H THR A 67 0.537 5.975 -2.158 1.00 0.00 H new ATOM 0 HA THR A 67 1.476 5.822 0.613 1.00 0.00 H new ATOM 0 HB THR A 67 2.146 8.115 -1.262 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.345 7.399 -0.960 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.506 8.925 0.652 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.782 8.798 1.076 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.928 7.554 1.628 1.00 0.00 H new ATOM 1115 N PHE A 68 -0.796 6.765 1.020 1.00 0.00 N ATOM 1116 CA PHE A 68 -2.033 7.435 1.397 1.00 0.00 C ATOM 1117 C PHE A 68 -1.754 8.689 2.224 1.00 0.00 C ATOM 1118 O PHE A 68 -0.793 8.757 2.986 1.00 0.00 O ATOM 1119 CB PHE A 68 -2.926 6.480 2.190 1.00 0.00 C ATOM 1120 CG PHE A 68 -3.158 5.171 1.489 1.00 0.00 C ATOM 1121 CD1 PHE A 68 -4.068 5.076 0.445 1.00 0.00 C ATOM 1122 CD2 PHE A 68 -2.469 4.037 1.882 1.00 0.00 C ATOM 1123 CE1 PHE A 68 -4.287 3.867 -0.197 1.00 0.00 C ATOM 1124 CE2 PHE A 68 -2.686 2.823 1.248 1.00 0.00 C ATOM 1125 CZ PHE A 68 -3.582 2.743 0.200 1.00 0.00 C ATOM 0 H PHE A 68 -0.579 5.932 1.567 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.544 7.736 0.483 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.471 6.289 3.162 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.886 6.961 2.377 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.612 5.954 0.129 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.755 4.098 2.690 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.004 3.802 -1.002 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.155 1.941 1.573 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.733 1.803 -0.310 1.00 0.00 H new ATOM 1135 N PRO A 69 -2.610 9.703 2.077 1.00 0.00 N ATOM 1136 CA PRO A 69 -2.485 10.973 2.787 1.00 0.00 C ATOM 1137 C PRO A 69 -2.804 10.831 4.268 1.00 0.00 C ATOM 1138 O PRO A 69 -2.879 9.722 4.795 1.00 0.00 O ATOM 1139 CB PRO A 69 -3.508 11.876 2.098 1.00 0.00 C ATOM 1140 CG PRO A 69 -4.522 10.932 1.538 1.00 0.00 C ATOM 1141 CD PRO A 69 -3.754 9.687 1.175 1.00 0.00 C ATOM 0 HA PRO A 69 -1.469 11.365 2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -3.961 12.573 2.803 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -3.045 12.473 1.312 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.301 10.714 2.269 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -5.015 11.358 0.664 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.359 8.791 1.313 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.440 9.702 0.131 1.00 0.00 H new ATOM 1149 N LYS A 70 -2.992 11.966 4.934 1.00 0.00 N ATOM 1150 CA LYS A 70 -3.317 11.976 6.353 1.00 0.00 C ATOM 1151 C LYS A 70 -4.824 12.072 6.564 1.00 0.00 C ATOM 1152 O LYS A 70 -5.320 13.081 7.063 1.00 0.00 O ATOM 1153 CB LYS A 70 -2.601 13.140 7.043 1.00 0.00 C ATOM 1154 CG LYS A 70 -2.853 13.197 8.541 1.00 0.00 C ATOM 1155 CD LYS A 70 -1.724 13.924 9.266 1.00 0.00 C ATOM 1156 CE LYS A 70 -2.091 14.210 10.697 1.00 0.00 C ATOM 1157 NZ LYS A 70 -2.344 15.668 10.918 1.00 0.00 N ATOM 0 H LYS A 70 -2.924 12.892 4.511 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.976 11.040 6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.529 13.055 6.865 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.926 14.077 6.591 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.798 13.705 8.734 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.949 12.185 8.935 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.818 13.318 9.234 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.500 14.859 8.751 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.981 13.641 10.966 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.288 13.876 11.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.594 15.830 11.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.487 16.208 10.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.127 15.981 10.309 1.00 0.00 H new ATOM 1171 N GLY A 71 -5.548 11.025 6.179 1.00 0.00 N ATOM 1172 CA GLY A 71 -6.989 11.016 6.361 1.00 0.00 C ATOM 1173 C GLY A 71 -7.716 10.489 5.141 1.00 0.00 C ATOM 1174 O GLY A 71 -8.210 11.264 4.322 1.00 0.00 O ATOM 0 H GLY A 71 -5.164 10.185 5.746 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.241 10.402 7.225 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.333 12.027 6.578 1.00 0.00 H new ATOM 1178 N LEU A 72 -7.797 9.168 5.027 1.00 0.00 N ATOM 1179 CA LEU A 72 -8.477 8.533 3.902 1.00 0.00 C ATOM 1180 C LEU A 72 -9.140 7.229 4.334 1.00 0.00 C ATOM 1181 O LEU A 72 -8.626 6.523 5.202 1.00 0.00 O ATOM 1182 CB LEU A 72 -7.483 8.264 2.772 1.00 0.00 C ATOM 1183 CG LEU A 72 -8.017 7.404 1.608 1.00 0.00 C ATOM 1184 CD1 LEU A 72 -9.157 8.099 0.915 1.00 0.00 C ATOM 1185 CD2 LEU A 72 -6.872 7.124 0.627 1.00 0.00 C ATOM 0 H LEU A 72 -7.399 8.514 5.701 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.252 9.211 3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.149 9.221 2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.606 7.771 3.192 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.395 6.459 1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.520 7.476 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.965 8.270 1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.814 9.055 0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.241 6.516 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.486 8.067 0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.074 6.589 1.142 1.00 0.00 H new ATOM 1197 N ARG A 73 -10.272 6.912 3.715 1.00 0.00 N ATOM 1198 CA ARG A 73 -10.988 5.686 4.016 1.00 0.00 C ATOM 1199 C ARG A 73 -11.243 4.909 2.738 1.00 0.00 C ATOM 1200 O ARG A 73 -11.642 5.484 1.724 1.00 0.00 O ATOM 1201 CB ARG A 73 -12.297 6.017 4.753 1.00 0.00 C ATOM 1202 CG ARG A 73 -13.208 6.978 3.997 1.00 0.00 C ATOM 1203 CD ARG A 73 -13.042 8.408 4.495 1.00 0.00 C ATOM 1204 NE ARG A 73 -13.650 9.374 3.580 1.00 0.00 N ATOM 1205 CZ ARG A 73 -13.776 10.671 3.856 1.00 0.00 C ATOM 1206 NH1 ARG A 73 -13.334 11.155 5.011 1.00 0.00 N ATOM 1207 NH2 ARG A 73 -14.345 11.483 2.975 1.00 0.00 N ATOM 0 H ARG A 73 -10.712 7.492 3.000 1.00 0.00 H new ATOM 0 HA ARG A 73 -10.385 5.057 4.671 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.840 5.091 4.942 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.056 6.449 5.724 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -12.982 6.934 2.932 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.246 6.668 4.116 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.496 8.505 5.481 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.982 8.633 4.609 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.996 9.036 2.682 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.896 10.533 5.691 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.432 12.149 5.219 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.686 11.114 2.087 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -14.442 12.476 3.185 1.00 0.00 H new ATOM 1221 N CYS A 74 -11.140 3.590 2.819 1.00 0.00 N ATOM 1222 CA CYS A 74 -11.432 2.718 1.683 1.00 0.00 C ATOM 1223 C CYS A 74 -11.245 1.250 2.059 1.00 0.00 C ATOM 1224 O CYS A 74 -10.814 0.928 3.166 1.00 0.00 O ATOM 1225 CB CYS A 74 -10.531 3.081 0.500 1.00 0.00 C ATOM 1226 SG CYS A 74 -8.801 3.244 0.940 1.00 0.00 S ATOM 0 H CYS A 74 -10.855 3.095 3.664 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.473 2.864 1.396 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.631 2.316 -0.270 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.877 4.019 0.065 1.00 0.00 H new ATOM 0 HG CYS A 74 -8.111 3.550 -0.119 1.00 0.00 H new ATOM 1232 N ARG A 75 -11.577 0.360 1.129 1.00 0.00 N ATOM 1233 CA ARG A 75 -11.439 -1.075 1.358 1.00 0.00 C ATOM 1234 C ARG A 75 -10.114 -1.590 0.813 1.00 0.00 C ATOM 1235 O ARG A 75 -9.515 -0.960 -0.057 1.00 0.00 O ATOM 1236 CB ARG A 75 -12.599 -1.825 0.698 1.00 0.00 C ATOM 1237 CG ARG A 75 -13.698 -2.194 1.680 1.00 0.00 C ATOM 1238 CD ARG A 75 -14.396 -0.963 2.247 1.00 0.00 C ATOM 1239 NE ARG A 75 -15.228 -0.305 1.239 1.00 0.00 N ATOM 1240 CZ ARG A 75 -16.441 -0.732 0.892 1.00 0.00 C ATOM 1241 NH1 ARG A 75 -16.967 -1.805 1.472 1.00 0.00 N ATOM 1242 NH2 ARG A 75 -17.139 -0.077 -0.030 1.00 0.00 N ATOM 0 H ARG A 75 -11.944 0.607 0.210 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.460 -1.251 2.433 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.020 -1.208 -0.096 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.218 -2.732 0.228 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.431 -2.829 1.182 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.273 -2.778 2.497 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.014 -1.253 3.097 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.651 -0.260 2.620 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.859 0.526 0.777 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -16.442 -2.307 2.188 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -17.896 -2.127 1.202 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.746 0.754 -0.473 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.068 -0.405 -0.295 1.00 0.00 H new ATOM 1256 N TRP A 76 -9.675 -2.744 1.305 1.00 0.00 N ATOM 1257 CA TRP A 76 -8.417 -3.337 0.864 1.00 0.00 C ATOM 1258 C TRP A 76 -8.602 -4.810 0.525 1.00 0.00 C ATOM 1259 O TRP A 76 -8.263 -5.685 1.326 1.00 0.00 O ATOM 1260 CB TRP A 76 -7.348 -3.172 1.947 1.00 0.00 C ATOM 1261 CG TRP A 76 -6.380 -2.071 1.655 1.00 0.00 C ATOM 1262 CD1 TRP A 76 -6.624 -0.733 1.730 1.00 0.00 C ATOM 1263 CD2 TRP A 76 -5.009 -2.215 1.250 1.00 0.00 C ATOM 1264 NE1 TRP A 76 -5.491 -0.034 1.380 1.00 0.00 N ATOM 1265 CE2 TRP A 76 -4.470 -0.915 1.119 1.00 0.00 C ATOM 1266 CE3 TRP A 76 -4.176 -3.314 0.999 1.00 0.00 C ATOM 1267 CZ2 TRP A 76 -3.124 -0.679 0.788 1.00 0.00 C ATOM 1268 CZ3 TRP A 76 -2.858 -3.094 0.628 1.00 0.00 C ATOM 1269 CH2 TRP A 76 -2.348 -1.789 0.508 1.00 0.00 C ATOM 0 H TRP A 76 -10.172 -3.288 2.010 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.090 -2.818 -0.037 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -7.835 -2.975 2.902 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -6.801 -4.109 2.055 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -7.564 -0.288 2.020 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -5.420 0.982 1.323 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.556 -4.320 1.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -2.716 0.320 0.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -2.214 -3.937 0.428 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.325 -1.650 0.189 1.00 0.00 H new ATOM 1280 N LYS A 77 -9.161 -5.086 -0.650 1.00 0.00 N ATOM 1281 CA LYS A 77 -9.388 -6.461 -1.081 1.00 0.00 C ATOM 1282 C LYS A 77 -8.071 -7.221 -1.200 1.00 0.00 C ATOM 1283 O LYS A 77 -7.414 -7.176 -2.239 1.00 0.00 O ATOM 1284 CB LYS A 77 -10.119 -6.469 -2.426 1.00 0.00 C ATOM 1285 CG LYS A 77 -10.289 -7.861 -3.012 1.00 0.00 C ATOM 1286 CD LYS A 77 -11.755 -8.195 -3.238 1.00 0.00 C ATOM 1287 CE LYS A 77 -12.030 -9.661 -2.940 1.00 0.00 C ATOM 1288 NZ LYS A 77 -12.791 -10.311 -4.039 1.00 0.00 N ATOM 0 H LYS A 77 -9.464 -4.378 -1.319 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.002 -6.959 -0.331 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.101 -6.013 -2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.569 -5.849 -3.134 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.750 -7.928 -3.957 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.847 -8.596 -2.340 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.378 -7.567 -2.601 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.028 -7.972 -4.269 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.086 -10.185 -2.791 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.591 -9.744 -2.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.960 -11.309 -3.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.702 -9.826 -4.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.244 -10.253 -4.922 1.00 0.00 H new ATOM 1302 N VAL A 78 -7.690 -7.921 -0.137 1.00 0.00 N ATOM 1303 CA VAL A 78 -6.459 -8.697 -0.118 1.00 0.00 C ATOM 1304 C VAL A 78 -6.623 -9.986 -0.912 1.00 0.00 C ATOM 1305 O VAL A 78 -6.601 -11.080 -0.354 1.00 0.00 O ATOM 1306 CB VAL A 78 -6.035 -9.034 1.324 1.00 0.00 C ATOM 1307 CG1 VAL A 78 -4.542 -9.332 1.378 1.00 0.00 C ATOM 1308 CG2 VAL A 78 -6.384 -7.894 2.271 1.00 0.00 C ATOM 0 H VAL A 78 -8.224 -7.966 0.731 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.682 -8.087 -0.578 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.581 -9.921 1.644 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.255 -9.569 2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.317 -10.181 0.733 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.984 -8.460 1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.075 -8.155 3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.867 -6.988 1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.460 -7.722 2.253 1.00 0.00 H new ATOM 1318 N LEU A 79 -6.783 -9.857 -2.221 1.00 0.00 N ATOM 1319 CA LEU A 79 -6.945 -11.015 -3.091 1.00 0.00 C ATOM 1320 C LEU A 79 -5.894 -12.076 -2.800 1.00 0.00 C ATOM 1321 O LEU A 79 -6.149 -13.263 -2.996 1.00 0.00 O ATOM 1322 CB LEU A 79 -6.841 -10.594 -4.555 1.00 0.00 C ATOM 1323 CG LEU A 79 -7.944 -9.660 -5.048 1.00 0.00 C ATOM 1324 CD1 LEU A 79 -7.585 -9.088 -6.428 1.00 0.00 C ATOM 1325 CD2 LEU A 79 -9.280 -10.399 -5.104 1.00 0.00 C ATOM 0 H LEU A 79 -6.804 -8.960 -2.706 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.931 -11.438 -2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.879 -10.105 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.844 -11.491 -5.174 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.037 -8.831 -4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.381 -8.424 -6.765 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.652 -8.529 -6.359 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.467 -9.904 -7.141 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.057 -9.721 -5.457 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.199 -11.245 -5.787 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.538 -10.759 -4.108 1.00 0.00 H new ATOM 1337 N GLU A 80 -4.725 -11.642 -2.338 1.00 0.00 N ATOM 1338 CA GLU A 80 -3.646 -12.556 -1.992 1.00 0.00 C ATOM 1339 C GLU A 80 -2.852 -12.039 -0.796 1.00 0.00 C ATOM 1340 O GLU A 80 -2.945 -10.871 -0.423 1.00 0.00 O ATOM 1341 CB GLU A 80 -2.715 -12.731 -3.194 1.00 0.00 C ATOM 1342 CG GLU A 80 -2.965 -14.012 -3.977 1.00 0.00 C ATOM 1343 CD GLU A 80 -2.474 -13.922 -5.404 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -3.217 -13.411 -6.268 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -1.347 -14.416 -5.645 1.00 0.00 O ATOM 0 H GLU A 80 -4.502 -10.657 -2.195 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.083 -13.517 -1.722 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.833 -11.878 -3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.682 -12.723 -2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.468 -14.843 -3.477 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.033 -14.232 -3.976 1.00 0.00 H new ATOM 1352 N PRO A 81 -2.040 -12.920 -0.194 1.00 0.00 N ATOM 1353 CA PRO A 81 -1.205 -12.582 0.960 1.00 0.00 C ATOM 1354 C PRO A 81 -0.073 -11.625 0.597 1.00 0.00 C ATOM 1355 O PRO A 81 1.041 -12.049 0.284 1.00 0.00 O ATOM 1356 CB PRO A 81 -0.644 -13.935 1.410 1.00 0.00 C ATOM 1357 CG PRO A 81 -0.654 -14.774 0.171 1.00 0.00 C ATOM 1358 CD PRO A 81 -1.858 -14.316 -0.610 1.00 0.00 C ATOM 0 HA PRO A 81 -1.773 -12.067 1.735 1.00 0.00 H new ATOM 0 HB2 PRO A 81 0.364 -13.833 1.812 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -1.257 -14.378 2.195 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.262 -14.638 -0.403 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -0.723 -15.834 0.415 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.690 -14.394 -1.684 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.736 -14.919 -0.380 1.00 0.00 H new ATOM 1366 N VAL A 82 -0.362 -10.328 0.648 1.00 0.00 N ATOM 1367 CA VAL A 82 0.635 -9.314 0.329 1.00 0.00 C ATOM 1368 C VAL A 82 1.568 -9.074 1.512 1.00 0.00 C ATOM 1369 O VAL A 82 1.171 -9.228 2.668 1.00 0.00 O ATOM 1370 CB VAL A 82 -0.032 -7.986 -0.079 1.00 0.00 C ATOM 1371 CG1 VAL A 82 -0.551 -7.247 1.146 1.00 0.00 C ATOM 1372 CG2 VAL A 82 0.942 -7.112 -0.859 1.00 0.00 C ATOM 0 H VAL A 82 -1.276 -9.956 0.907 1.00 0.00 H new ATOM 0 HA VAL A 82 1.218 -9.687 -0.513 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.879 -8.215 -0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.018 -6.312 0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.285 -7.867 1.661 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.278 -7.032 1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.451 -6.179 -1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.811 -6.893 -0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.261 -7.637 -1.759 1.00 0.00 H new ATOM 1382 N ARG A 83 2.802 -8.672 1.218 1.00 0.00 N ATOM 1383 CA ARG A 83 3.788 -8.401 2.258 1.00 0.00 C ATOM 1384 C ARG A 83 4.550 -7.117 1.957 1.00 0.00 C ATOM 1385 O ARG A 83 5.754 -7.143 1.711 1.00 0.00 O ATOM 1386 CB ARG A 83 4.756 -9.582 2.379 1.00 0.00 C ATOM 1387 CG ARG A 83 5.169 -9.844 3.823 1.00 0.00 C ATOM 1388 CD ARG A 83 5.726 -11.267 3.950 1.00 0.00 C ATOM 1389 NE ARG A 83 6.773 -11.355 4.963 1.00 0.00 N ATOM 1390 CZ ARG A 83 7.147 -12.492 5.543 1.00 0.00 C ATOM 1391 NH1 ARG A 83 6.550 -13.637 5.232 1.00 0.00 N ATOM 1392 NH2 ARG A 83 8.109 -12.476 6.456 1.00 0.00 N ATOM 0 H ARG A 83 3.142 -8.527 0.267 1.00 0.00 H new ATOM 0 HA ARG A 83 3.268 -8.271 3.207 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.287 -10.477 1.969 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.644 -9.384 1.779 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.922 -9.119 4.134 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.312 -9.718 4.485 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.917 -11.952 4.204 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.125 -11.588 2.988 1.00 0.00 H new ATOM 0 HE ARG A 83 7.245 -10.495 5.242 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.798 -13.649 4.543 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.844 -14.504 5.682 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.557 -11.595 6.709 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.401 -13.344 6.905 1.00 0.00 H new ATOM 1406 N LYS A 84 3.837 -5.996 1.954 1.00 0.00 N ATOM 1407 CA LYS A 84 4.453 -4.699 1.697 1.00 0.00 C ATOM 1408 C LYS A 84 5.201 -4.191 2.928 1.00 0.00 C ATOM 1409 O LYS A 84 5.151 -4.807 3.993 1.00 0.00 O ATOM 1410 CB LYS A 84 3.385 -3.691 1.265 1.00 0.00 C ATOM 1411 CG LYS A 84 2.720 -2.971 2.425 1.00 0.00 C ATOM 1412 CD LYS A 84 2.029 -3.936 3.374 1.00 0.00 C ATOM 1413 CE LYS A 84 0.839 -4.614 2.708 1.00 0.00 C ATOM 1414 NZ LYS A 84 -0.283 -3.666 2.481 1.00 0.00 N ATOM 0 H LYS A 84 2.832 -5.959 2.127 1.00 0.00 H new ATOM 0 HA LYS A 84 5.178 -4.816 0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.840 -2.953 0.604 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.622 -4.210 0.685 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.468 -2.398 2.972 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.991 -2.258 2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.740 -4.692 3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.694 -3.399 4.261 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.151 -5.042 1.755 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.496 -5.440 3.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.859 -3.995 1.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.874 -3.616 3.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.098 -2.722 2.268 1.00 0.00 H new ATOM 1428 N HIS A 85 5.850 -3.038 2.786 1.00 0.00 N ATOM 1429 CA HIS A 85 6.584 -2.428 3.890 1.00 0.00 C ATOM 1430 C HIS A 85 5.972 -1.083 4.263 1.00 0.00 C ATOM 1431 O HIS A 85 6.170 -0.092 3.559 1.00 0.00 O ATOM 1432 CB HIS A 85 8.050 -2.245 3.507 1.00 0.00 C ATOM 1433 CG HIS A 85 8.960 -3.277 4.098 1.00 0.00 C ATOM 1434 ND1 HIS A 85 9.667 -4.191 3.347 1.00 0.00 N ATOM 1435 CD2 HIS A 85 9.269 -3.523 5.394 1.00 0.00 C ATOM 1436 CE1 HIS A 85 10.379 -4.957 4.161 1.00 0.00 C ATOM 1437 NE2 HIS A 85 10.157 -4.575 5.410 1.00 0.00 N ATOM 0 H HIS A 85 5.882 -2.507 1.916 1.00 0.00 H new ATOM 0 HA HIS A 85 6.521 -3.090 4.754 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.139 -2.274 2.421 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.379 -1.257 3.827 1.00 0.00 H new ATOM 0 HD2 HIS A 85 8.889 -2.992 6.255 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.033 -5.761 3.856 1.00 0.00 H new ATOM 0 HE2 HIS A 85 10.574 -4.990 6.243 1.00 0.00 H new ATOM 1445 N TYR A 86 5.214 -1.063 5.354 1.00 0.00 N ATOM 1446 CA TYR A 86 4.584 0.164 5.831 1.00 0.00 C ATOM 1447 C TYR A 86 5.536 0.962 6.717 1.00 0.00 C ATOM 1448 O TYR A 86 6.443 0.398 7.327 1.00 0.00 O ATOM 1449 CB TYR A 86 3.305 -0.168 6.601 1.00 0.00 C ATOM 1450 CG TYR A 86 3.545 -0.574 8.040 1.00 0.00 C ATOM 1451 CD1 TYR A 86 3.840 -1.895 8.366 1.00 0.00 C ATOM 1452 CD2 TYR A 86 3.481 0.365 9.068 1.00 0.00 C ATOM 1453 CE1 TYR A 86 4.056 -2.273 9.682 1.00 0.00 C ATOM 1454 CE2 TYR A 86 3.698 -0.004 10.386 1.00 0.00 C ATOM 1455 CZ TYR A 86 3.981 -1.326 10.691 1.00 0.00 C ATOM 1456 OH TYR A 86 4.198 -1.699 11.997 1.00 0.00 O ATOM 0 H TYR A 86 5.020 -1.885 5.926 1.00 0.00 H new ATOM 0 HA TYR A 86 4.333 0.776 4.965 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.646 0.700 6.583 1.00 0.00 H new ATOM 0 HB3 TYR A 86 2.783 -0.975 6.088 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.901 -2.636 7.582 1.00 0.00 H new ATOM 0 HD2 TYR A 86 3.259 1.396 8.834 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.282 -3.302 9.920 1.00 0.00 H new ATOM 0 HE2 TYR A 86 3.647 0.735 11.172 1.00 0.00 H new ATOM 0 HH TYR A 86 4.110 -0.916 12.580 1.00 0.00 H new ATOM 1466 N ASN A 87 5.319 2.273 6.787 1.00 0.00 N ATOM 1467 CA ASN A 87 6.154 3.143 7.608 1.00 0.00 C ATOM 1468 C ASN A 87 5.458 4.476 7.857 1.00 0.00 C ATOM 1469 O ASN A 87 5.382 5.321 6.964 1.00 0.00 O ATOM 1470 CB ASN A 87 7.504 3.379 6.926 1.00 0.00 C ATOM 1471 CG ASN A 87 8.626 3.553 7.931 1.00 0.00 C ATOM 1472 OD1 ASN A 87 8.606 2.966 9.012 1.00 0.00 O ATOM 1473 ND2 ASN A 87 9.611 4.370 7.585 1.00 0.00 N ATOM 0 H ASN A 87 4.573 2.755 6.286 1.00 0.00 H new ATOM 0 HA ASN A 87 6.321 2.652 8.567 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.731 2.538 6.271 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.441 4.266 6.295 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.389 4.530 8.225 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.591 4.838 6.679 1.00 0.00 H new ATOM 1480 N LEU A 88 4.939 4.654 9.068 1.00 0.00 N ATOM 1481 CA LEU A 88 4.238 5.883 9.433 1.00 0.00 C ATOM 1482 C LEU A 88 5.209 7.057 9.500 1.00 0.00 C ATOM 1483 O LEU A 88 6.387 6.883 9.828 1.00 0.00 O ATOM 1484 CB LEU A 88 3.541 5.716 10.787 1.00 0.00 C ATOM 1485 CG LEU A 88 2.736 4.425 10.966 1.00 0.00 C ATOM 1486 CD1 LEU A 88 2.349 4.233 12.427 1.00 0.00 C ATOM 1487 CD2 LEU A 88 1.495 4.445 10.083 1.00 0.00 C ATOM 0 H LEU A 88 4.990 3.962 9.815 1.00 0.00 H new ATOM 0 HA LEU A 88 3.490 6.087 8.667 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.296 5.763 11.572 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.872 6.563 10.937 1.00 0.00 H new ATOM 0 HG LEU A 88 3.361 3.585 10.664 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.778 3.311 12.534 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.250 4.175 13.037 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.742 5.076 12.756 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.934 3.521 10.222 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.868 5.294 10.356 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.793 4.535 9.038 1.00 0.00 H new ATOM 1499 N PHE A 89 4.717 8.256 9.196 1.00 0.00 N ATOM 1500 CA PHE A 89 5.545 9.456 9.224 1.00 0.00 C ATOM 1501 C PHE A 89 4.689 10.706 9.051 1.00 0.00 C ATOM 1502 O PHE A 89 4.353 11.341 10.057 1.00 0.00 O ATOM 1503 CB PHE A 89 6.625 9.387 8.139 1.00 0.00 C ATOM 1504 CG PHE A 89 6.101 9.612 6.751 1.00 0.00 C ATOM 1505 CD1 PHE A 89 5.535 8.563 6.035 1.00 0.00 C ATOM 1506 CD2 PHE A 89 6.163 10.869 6.170 1.00 0.00 C ATOM 1507 CE1 PHE A 89 5.039 8.767 4.758 1.00 0.00 C ATOM 1508 CE2 PHE A 89 5.680 11.076 4.885 1.00 0.00 C ATOM 1509 CZ PHE A 89 5.118 10.024 4.178 1.00 0.00 C ATOM 0 H PHE A 89 3.747 8.421 8.927 1.00 0.00 H new ATOM 0 HA PHE A 89 6.036 9.512 10.196 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.391 10.132 8.354 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.108 8.411 8.182 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.482 7.580 6.479 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.590 11.694 6.721 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.591 7.948 4.215 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.742 12.056 4.436 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.743 10.183 3.178 1.00 0.00 H new TER 1519 PHE A 89