USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 821 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 38 HIS : no HD1:sc= -0.885 X(o=-1.1,f=-1) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= -0.225 USER MOD Set 2.1: A 75 LYS NZ :NH3+ -176:sc= 1.69 (180deg=1.24) USER MOD Set 2.2: A 85 ASN : amide:sc= -2.43! C(o=-0.74!,f=-5.3!) USER MOD Set 3.1: A 72 ASN : amide:sc= -1.3! C(o=-0.024!,f=-12!) USER MOD Set 3.2: A 91 LYS NZ :NH3+ -169:sc= 1.27 (180deg=-0.0144) USER MOD Set 4.1: A 19 GLN : amide:sc= -0.141 K(o=-0.14,f=-1.1) USER MOD Set 4.2: A 23 ASN : amide:sc= 0 K(o=-0.14,f=-1.4) USER MOD Set 5.1: A 12 LYS NZ :NH3+ 161:sc= -1.29 (180deg=-1.45) USER MOD Set 5.2: A 83 TYR OH : rot 30:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 175:sc= 1.28 (180deg=1.1) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -178:sc= 1.12 (180deg=1.02) USER MOD Single : A 20 ASN : amide:sc= -0.0621 X(o=-0.062,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= 0.0595 (180deg=0.0268) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS :FLIP no HE2:sc= 0.362 F(o=-1.2,f=0.36) USER MOD Single : A 35 GLN : amide:sc= -1.02 K(o=-1,f=-3.2!) USER MOD Single : A 37 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0116) USER MOD Single : A 46 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0706) USER MOD Single : A 50 MET CE :methyl -167:sc= -0.154 (180deg=-0.441) USER MOD Single : A 52 THR OG1 : rot 52:sc= 0.227 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 71:sc= 0.67 USER MOD Single : A 66 MET CE :methyl 180:sc= -1.01 (180deg=-1.01) USER MOD Single : A 69 ASN : amide:sc=-0.00423 X(o=-0.0042,f=-0.027) USER MOD Single : A 78 ASN : amide:sc= -0.0766 K(o=-0.077,f=-1.1) USER MOD Single : A 86 MET CE :methyl 164:sc= -0.0373 (180deg=-0.322) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= 1.09 K(o=1.1,f=-5.4!) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.289 X(o=-0.29,f=-0.17) USER MOD Single : A 100 HIS : no HD1:sc= 0.164 K(o=0.16,f=-1.1) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 4 -12.849 -52.413 15.843 1.00 0.00 N ATOM 2 CA LYS A 4 -14.012 -51.555 16.172 1.00 0.00 C ATOM 3 C LYS A 4 -13.587 -50.197 16.728 1.00 0.00 C ATOM 4 O LYS A 4 -12.504 -49.691 16.406 1.00 0.00 O ATOM 5 CB LYS A 4 -15.007 -52.289 17.118 1.00 0.00 C ATOM 6 CG LYS A 4 -14.458 -52.671 18.491 1.00 0.00 C ATOM 7 CD LYS A 4 -15.492 -53.427 19.308 1.00 0.00 C ATOM 8 CE LYS A 4 -14.948 -53.816 20.673 1.00 0.00 C ATOM 9 NZ LYS A 4 -15.958 -54.559 21.482 1.00 0.00 N ATOM 0 HA LYS A 4 -14.539 -51.354 15.239 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.880 -51.652 17.261 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.351 -53.195 16.620 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.566 -53.286 18.370 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -14.155 -51.772 19.027 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -16.381 -52.809 19.432 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.799 -54.323 18.769 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -14.058 -54.433 20.547 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -14.640 -52.919 21.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -15.549 -54.806 22.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -16.797 -53.961 21.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -16.233 -55.428 20.981 1.00 0.00 H new ATOM 23 N VAL A 5 -14.438 -49.590 17.512 1.00 0.00 N ATOM 24 CA VAL A 5 -14.124 -48.317 18.103 1.00 0.00 C ATOM 25 C VAL A 5 -13.467 -48.531 19.458 1.00 0.00 C ATOM 26 O VAL A 5 -14.008 -49.232 20.316 1.00 0.00 O ATOM 27 CB VAL A 5 -15.393 -47.459 18.276 1.00 0.00 C ATOM 28 CG1 VAL A 5 -15.074 -46.138 18.954 1.00 0.00 C ATOM 29 CG2 VAL A 5 -16.077 -47.225 16.935 1.00 0.00 C ATOM 0 H VAL A 5 -15.357 -49.958 17.757 1.00 0.00 H new ATOM 0 HA VAL A 5 -13.440 -47.790 17.438 1.00 0.00 H new ATOM 0 HB VAL A 5 -16.081 -48.009 18.919 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -15.988 -45.555 19.062 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -14.646 -46.328 19.938 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -14.358 -45.582 18.349 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -16.970 -46.617 17.083 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -15.393 -46.707 16.263 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -16.359 -48.183 16.498 1.00 0.00 H new ATOM 39 N ILE A 6 -12.298 -47.952 19.642 1.00 0.00 N ATOM 40 CA ILE A 6 -11.596 -48.082 20.894 1.00 0.00 C ATOM 41 C ILE A 6 -11.691 -46.782 21.677 1.00 0.00 C ATOM 42 O ILE A 6 -10.903 -45.860 21.468 1.00 0.00 O ATOM 43 CB ILE A 6 -10.101 -48.468 20.689 1.00 0.00 C ATOM 44 CG1 ILE A 6 -9.990 -49.780 19.905 1.00 0.00 C ATOM 45 CG2 ILE A 6 -9.395 -48.599 22.037 1.00 0.00 C ATOM 46 CD1 ILE A 6 -8.564 -50.196 19.598 1.00 0.00 C ATOM 0 H ILE A 6 -11.818 -47.389 18.940 1.00 0.00 H new ATOM 0 HA ILE A 6 -12.070 -48.888 21.455 1.00 0.00 H new ATOM 0 HB ILE A 6 -9.617 -47.677 20.116 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -10.475 -50.573 20.474 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.538 -49.679 18.968 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.351 -48.869 21.876 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -9.446 -47.649 22.568 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.883 -49.373 22.630 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.570 -51.133 19.042 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.080 -49.423 19.001 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.016 -50.331 20.530 1.00 0.00 H new ATOM 58 N ASP A 7 -12.678 -46.709 22.548 1.00 0.00 N ATOM 59 CA ASP A 7 -12.895 -45.537 23.387 1.00 0.00 C ATOM 60 C ASP A 7 -12.072 -45.644 24.648 1.00 0.00 C ATOM 61 O ASP A 7 -12.153 -46.643 25.370 1.00 0.00 O ATOM 62 CB ASP A 7 -14.380 -45.396 23.740 1.00 0.00 C ATOM 63 CG ASP A 7 -14.658 -44.251 24.704 1.00 0.00 C ATOM 64 OD1 ASP A 7 -14.538 -43.076 24.296 1.00 0.00 O ATOM 65 OD2 ASP A 7 -15.034 -44.521 25.861 1.00 0.00 O ATOM 0 H ASP A 7 -13.354 -47.458 22.697 1.00 0.00 H new ATOM 0 HA ASP A 7 -12.584 -44.651 22.833 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -14.952 -45.240 22.825 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -14.733 -46.328 24.181 1.00 0.00 H new ATOM 70 N ILE A 8 -11.258 -44.652 24.896 1.00 0.00 N ATOM 71 CA ILE A 8 -10.443 -44.643 26.081 1.00 0.00 C ATOM 72 C ILE A 8 -11.172 -43.953 27.219 1.00 0.00 C ATOM 73 O ILE A 8 -11.581 -42.792 27.105 1.00 0.00 O ATOM 74 CB ILE A 8 -9.082 -43.984 25.816 1.00 0.00 C ATOM 75 CG1 ILE A 8 -8.314 -44.829 24.799 1.00 0.00 C ATOM 76 CG2 ILE A 8 -8.284 -43.812 27.108 1.00 0.00 C ATOM 77 CD1 ILE A 8 -6.992 -44.251 24.381 1.00 0.00 C ATOM 0 H ILE A 8 -11.142 -43.839 24.292 1.00 0.00 H new ATOM 0 HA ILE A 8 -10.254 -45.676 26.371 1.00 0.00 H new ATOM 0 HB ILE A 8 -9.240 -42.985 25.410 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.146 -45.820 25.222 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.935 -44.962 23.913 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.326 -43.343 26.884 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.843 -43.183 27.800 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.113 -44.788 27.562 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.517 -44.915 23.659 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.150 -43.273 23.926 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.349 -44.145 25.255 1.00 0.00 H new ATOM 89 N LYS A 9 -11.333 -44.675 28.308 1.00 0.00 N ATOM 90 CA LYS A 9 -12.082 -44.181 29.438 1.00 0.00 C ATOM 91 C LYS A 9 -11.230 -43.346 30.342 1.00 0.00 C ATOM 92 O LYS A 9 -10.018 -43.560 30.472 1.00 0.00 O ATOM 93 CB LYS A 9 -12.721 -45.326 30.226 1.00 0.00 C ATOM 94 CG LYS A 9 -13.983 -45.885 29.592 1.00 0.00 C ATOM 95 CD LYS A 9 -13.699 -46.431 28.218 1.00 0.00 C ATOM 96 CE LYS A 9 -14.855 -47.237 27.664 1.00 0.00 C ATOM 97 NZ LYS A 9 -16.050 -46.402 27.420 1.00 0.00 N ATOM 0 H LYS A 9 -10.951 -45.613 28.432 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.876 -43.550 29.040 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.993 -46.131 30.332 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.957 -44.975 31.231 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -14.393 -46.673 30.223 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.739 -45.103 29.527 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.478 -45.606 27.541 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.808 -47.058 28.257 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.550 -47.714 26.732 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -15.107 -48.035 28.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -16.787 -46.976 26.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -16.408 -46.035 28.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -15.797 -45.606 26.800 1.00 0.00 H new ATOM 111 N GLU A 10 -11.862 -42.403 30.959 1.00 0.00 N ATOM 112 CA GLU A 10 -11.196 -41.515 31.868 1.00 0.00 C ATOM 113 C GLU A 10 -11.636 -41.766 33.285 1.00 0.00 C ATOM 114 O GLU A 10 -12.818 -41.614 33.623 1.00 0.00 O ATOM 115 CB GLU A 10 -11.456 -40.064 31.508 1.00 0.00 C ATOM 116 CG GLU A 10 -10.812 -39.628 30.218 1.00 0.00 C ATOM 117 CD GLU A 10 -11.048 -38.175 29.932 1.00 0.00 C ATOM 118 OE1 GLU A 10 -10.636 -37.337 30.747 1.00 0.00 O ATOM 119 OE2 GLU A 10 -11.616 -37.862 28.874 1.00 0.00 O ATOM 0 H GLU A 10 -12.860 -42.222 30.850 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.127 -41.711 31.786 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.532 -39.905 31.437 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.093 -39.429 32.316 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.740 -39.818 30.266 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.205 -40.227 29.397 1.00 0.00 H new ATOM 126 N ILE A 11 -10.702 -42.149 34.106 1.00 0.00 N ATOM 127 CA ILE A 11 -10.955 -42.340 35.502 1.00 0.00 C ATOM 128 C ILE A 11 -10.547 -41.070 36.239 1.00 0.00 C ATOM 129 O ILE A 11 -9.362 -40.833 36.503 1.00 0.00 O ATOM 130 CB ILE A 11 -10.196 -43.592 36.050 1.00 0.00 C ATOM 131 CG1 ILE A 11 -10.783 -44.883 35.452 1.00 0.00 C ATOM 132 CG2 ILE A 11 -10.227 -43.646 37.576 1.00 0.00 C ATOM 133 CD1 ILE A 11 -12.189 -45.203 35.910 1.00 0.00 C ATOM 0 H ILE A 11 -9.740 -42.338 33.824 1.00 0.00 H new ATOM 0 HA ILE A 11 -12.016 -42.529 35.663 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.153 -43.506 35.744 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.778 -44.800 34.365 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.131 -45.717 35.711 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.689 -44.530 37.920 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.753 -42.752 37.981 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -11.261 -43.695 37.917 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -12.523 -46.128 35.440 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.201 -45.322 36.993 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -12.858 -44.390 35.627 1.00 0.00 H new ATOM 145 N LYS A 12 -11.535 -40.227 36.520 1.00 0.00 N ATOM 146 CA LYS A 12 -11.294 -38.950 37.166 1.00 0.00 C ATOM 147 C LYS A 12 -11.150 -39.121 38.662 1.00 0.00 C ATOM 148 O LYS A 12 -11.941 -39.816 39.310 1.00 0.00 O ATOM 149 CB LYS A 12 -12.403 -37.954 36.838 1.00 0.00 C ATOM 150 CG LYS A 12 -12.212 -36.569 37.430 1.00 0.00 C ATOM 151 CD LYS A 12 -13.363 -35.666 37.005 1.00 0.00 C ATOM 152 CE LYS A 12 -13.263 -34.274 37.589 1.00 0.00 C ATOM 153 NZ LYS A 12 -12.116 -33.515 37.052 1.00 0.00 N ATOM 0 H LYS A 12 -12.515 -40.411 36.307 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.357 -38.550 36.779 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.481 -37.863 35.755 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.351 -38.358 37.193 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.168 -36.631 38.517 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.264 -36.148 37.096 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.383 -35.598 35.917 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.306 -36.118 37.313 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.184 -33.729 37.381 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.172 -34.344 38.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.264 -32.499 37.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.244 -33.821 37.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.032 -33.690 36.030 1.00 0.00 H new ATOM 167 N LEU A 13 -10.159 -38.472 39.196 1.00 0.00 N ATOM 168 CA LEU A 13 -9.816 -38.587 40.583 1.00 0.00 C ATOM 169 C LEU A 13 -9.686 -37.212 41.211 1.00 0.00 C ATOM 170 O LEU A 13 -9.720 -36.191 40.512 1.00 0.00 O ATOM 171 CB LEU A 13 -8.495 -39.324 40.691 1.00 0.00 C ATOM 172 CG LEU A 13 -8.497 -40.749 40.155 1.00 0.00 C ATOM 173 CD1 LEU A 13 -7.085 -41.257 40.038 1.00 0.00 C ATOM 174 CD2 LEU A 13 -9.322 -41.656 41.056 1.00 0.00 C ATOM 0 H LEU A 13 -9.556 -37.837 38.672 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.599 -39.133 41.109 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.735 -38.754 40.156 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.196 -39.348 41.739 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.951 -40.752 39.164 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.096 -42.277 39.654 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.524 -40.618 39.356 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.611 -41.244 41.020 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.312 -42.671 40.658 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.897 -41.656 42.060 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.349 -41.292 41.097 1.00 0.00 H new ATOM 186 N SER A 14 -9.547 -37.185 42.511 1.00 0.00 N ATOM 187 CA SER A 14 -9.359 -35.963 43.226 1.00 0.00 C ATOM 188 C SER A 14 -8.416 -36.204 44.384 1.00 0.00 C ATOM 189 O SER A 14 -8.346 -37.308 44.902 1.00 0.00 O ATOM 190 CB SER A 14 -10.709 -35.431 43.719 1.00 0.00 C ATOM 191 OG SER A 14 -11.447 -36.447 44.381 1.00 0.00 O ATOM 0 H SER A 14 -9.562 -38.017 43.100 1.00 0.00 H new ATOM 0 HA SER A 14 -8.922 -35.213 42.567 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.548 -34.593 44.398 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.284 -35.051 42.875 1.00 0.00 H new ATOM 0 HG SER A 14 -12.303 -36.082 44.688 1.00 0.00 H new ATOM 197 N VAL A 15 -7.671 -35.187 44.757 1.00 0.00 N ATOM 198 CA VAL A 15 -6.776 -35.276 45.891 1.00 0.00 C ATOM 199 C VAL A 15 -7.594 -35.482 47.164 1.00 0.00 C ATOM 200 O VAL A 15 -7.227 -36.274 48.033 1.00 0.00 O ATOM 201 CB VAL A 15 -5.859 -34.027 45.987 1.00 0.00 C ATOM 202 CG1 VAL A 15 -5.001 -34.048 47.239 1.00 0.00 C ATOM 203 CG2 VAL A 15 -4.975 -33.955 44.764 1.00 0.00 C ATOM 0 H VAL A 15 -7.667 -34.281 44.288 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.116 -36.133 45.760 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.499 -33.146 46.040 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.375 -33.156 47.266 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.643 -34.068 48.120 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.368 -34.935 47.231 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.331 -33.078 44.832 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.360 -34.853 44.706 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.595 -33.882 43.871 1.00 0.00 H new ATOM 213 N LYS A 16 -8.717 -34.775 47.258 1.00 0.00 N ATOM 214 CA LYS A 16 -9.625 -34.941 48.380 1.00 0.00 C ATOM 215 C LYS A 16 -10.617 -36.062 48.059 1.00 0.00 C ATOM 216 O LYS A 16 -11.810 -35.823 47.857 1.00 0.00 O ATOM 217 CB LYS A 16 -10.387 -33.644 48.669 1.00 0.00 C ATOM 218 CG LYS A 16 -9.505 -32.418 48.767 1.00 0.00 C ATOM 219 CD LYS A 16 -10.294 -31.188 49.191 1.00 0.00 C ATOM 220 CE LYS A 16 -9.469 -29.917 49.039 1.00 0.00 C ATOM 221 NZ LYS A 16 -8.093 -30.060 49.590 1.00 0.00 N ATOM 0 H LYS A 16 -9.016 -34.084 46.570 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.044 -35.196 49.266 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.125 -33.486 47.882 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.937 -33.759 49.603 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.705 -32.602 49.484 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.032 -32.232 47.803 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.199 -31.110 48.589 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.610 -31.297 50.229 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.408 -29.651 47.984 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.976 -29.096 49.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.585 -29.158 49.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.147 -30.320 50.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.585 -30.802 49.067 1.00 0.00 H new ATOM 235 N ILE A 17 -10.102 -37.268 47.976 1.00 0.00 N ATOM 236 CA ILE A 17 -10.899 -38.443 47.656 1.00 0.00 C ATOM 237 C ILE A 17 -10.875 -39.436 48.821 1.00 0.00 C ATOM 238 O ILE A 17 -9.940 -39.446 49.623 1.00 0.00 O ATOM 239 CB ILE A 17 -10.355 -39.130 46.372 1.00 0.00 C ATOM 240 CG1 ILE A 17 -11.346 -40.167 45.840 1.00 0.00 C ATOM 241 CG2 ILE A 17 -8.994 -39.767 46.634 1.00 0.00 C ATOM 242 CD1 ILE A 17 -10.956 -40.740 44.493 1.00 0.00 C ATOM 0 H ILE A 17 -9.114 -37.468 48.128 1.00 0.00 H new ATOM 0 HA ILE A 17 -11.927 -38.124 47.482 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.231 -38.362 45.608 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.431 -40.980 46.561 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.331 -39.708 45.759 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.633 -40.242 45.722 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.287 -38.999 46.948 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.088 -40.516 47.420 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.703 -41.468 44.177 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -10.899 -39.937 43.759 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.985 -41.228 44.573 1.00 0.00 H new ATOM 254 N ALA A 18 -11.924 -40.231 48.939 1.00 0.00 N ATOM 255 CA ALA A 18 -12.002 -41.233 49.980 1.00 0.00 C ATOM 256 C ALA A 18 -11.297 -42.509 49.537 1.00 0.00 C ATOM 257 O ALA A 18 -11.190 -42.781 48.338 1.00 0.00 O ATOM 258 CB ALA A 18 -13.452 -41.515 50.342 1.00 0.00 C ATOM 0 H ALA A 18 -12.736 -40.199 48.322 1.00 0.00 H new ATOM 0 HA ALA A 18 -11.499 -40.853 50.869 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.491 -42.271 51.126 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.923 -40.599 50.698 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.983 -41.878 49.462 1.00 0.00 H new ATOM 264 N GLN A 19 -10.833 -43.294 50.497 1.00 0.00 N ATOM 265 CA GLN A 19 -10.101 -44.524 50.202 1.00 0.00 C ATOM 266 C GLN A 19 -10.985 -45.526 49.466 1.00 0.00 C ATOM 267 O GLN A 19 -10.527 -46.228 48.560 1.00 0.00 O ATOM 268 CB GLN A 19 -9.547 -45.147 51.489 1.00 0.00 C ATOM 269 CG GLN A 19 -8.726 -46.403 51.249 1.00 0.00 C ATOM 270 CD GLN A 19 -7.482 -46.135 50.420 1.00 0.00 C ATOM 271 OE1 GLN A 19 -6.880 -45.066 50.507 1.00 0.00 O ATOM 272 NE2 GLN A 19 -7.106 -47.093 49.594 1.00 0.00 N ATOM 0 H GLN A 19 -10.949 -43.103 51.492 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.265 -44.266 49.552 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.929 -44.411 52.003 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.377 -45.386 52.154 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.434 -46.831 52.208 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.343 -47.145 50.743 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.632 -47.966 49.552 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.289 -46.961 48.998 1.00 0.00 H new ATOM 281 N ASN A 20 -12.251 -45.574 49.845 1.00 0.00 N ATOM 282 CA ASN A 20 -13.208 -46.467 49.199 1.00 0.00 C ATOM 283 C ASN A 20 -13.319 -46.130 47.717 1.00 0.00 C ATOM 284 O ASN A 20 -13.345 -47.016 46.859 1.00 0.00 O ATOM 285 CB ASN A 20 -14.584 -46.340 49.866 1.00 0.00 C ATOM 286 CG ASN A 20 -15.652 -47.200 49.200 1.00 0.00 C ATOM 287 OD1 ASN A 20 -15.844 -48.360 49.558 1.00 0.00 O ATOM 288 ND2 ASN A 20 -16.367 -46.629 48.241 1.00 0.00 N ATOM 0 H ASN A 20 -12.643 -45.007 50.596 1.00 0.00 H new ATOM 0 HA ASN A 20 -12.856 -47.493 49.306 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -14.500 -46.623 50.915 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -14.898 -45.297 49.841 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -17.105 -47.155 47.773 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -16.179 -45.664 47.971 1.00 0.00 H new ATOM 295 N ASP A 21 -13.367 -44.839 47.435 1.00 0.00 N ATOM 296 CA ASP A 21 -13.445 -44.338 46.078 1.00 0.00 C ATOM 297 C ASP A 21 -12.203 -44.709 45.289 1.00 0.00 C ATOM 298 O ASP A 21 -12.296 -45.080 44.122 1.00 0.00 O ATOM 299 CB ASP A 21 -13.649 -42.821 46.068 1.00 0.00 C ATOM 300 CG ASP A 21 -15.042 -42.420 46.480 1.00 0.00 C ATOM 301 OD1 ASP A 21 -15.274 -42.243 47.680 1.00 0.00 O ATOM 302 OD2 ASP A 21 -15.914 -42.272 45.596 1.00 0.00 O ATOM 0 H ASP A 21 -13.353 -44.108 48.146 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.306 -44.805 45.600 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.928 -42.357 46.740 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.445 -42.437 45.068 1.00 0.00 H new ATOM 307 N ILE A 22 -11.032 -44.616 45.934 1.00 0.00 N ATOM 308 CA ILE A 22 -9.783 -44.972 45.279 1.00 0.00 C ATOM 309 C ILE A 22 -9.813 -46.438 44.878 1.00 0.00 C ATOM 310 O ILE A 22 -9.554 -46.782 43.733 1.00 0.00 O ATOM 311 CB ILE A 22 -8.551 -44.748 46.200 1.00 0.00 C ATOM 312 CG1 ILE A 22 -8.471 -43.300 46.676 1.00 0.00 C ATOM 313 CG2 ILE A 22 -7.265 -45.142 45.483 1.00 0.00 C ATOM 314 CD1 ILE A 22 -7.357 -43.058 47.683 1.00 0.00 C ATOM 0 H ILE A 22 -10.932 -44.300 46.899 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.687 -44.327 44.406 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.672 -45.385 47.076 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.320 -42.650 45.814 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.424 -43.019 47.124 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.415 -44.978 46.145 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.311 -46.195 45.206 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.149 -44.535 44.585 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.356 -42.009 47.980 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.518 -43.683 48.561 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.397 -43.308 47.231 1.00 0.00 H new ATOM 326 N ASN A 23 -10.196 -47.285 45.820 1.00 0.00 N ATOM 327 CA ASN A 23 -10.221 -48.729 45.601 1.00 0.00 C ATOM 328 C ASN A 23 -11.169 -49.101 44.480 1.00 0.00 C ATOM 329 O ASN A 23 -10.823 -49.863 43.581 1.00 0.00 O ATOM 330 CB ASN A 23 -10.695 -49.426 46.873 1.00 0.00 C ATOM 331 CG ASN A 23 -9.655 -49.451 47.971 1.00 0.00 C ATOM 332 OD1 ASN A 23 -8.453 -49.441 47.710 1.00 0.00 O ATOM 333 ND2 ASN A 23 -10.111 -49.493 49.207 1.00 0.00 N ATOM 0 H ASN A 23 -10.497 -46.998 46.751 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.212 -49.043 45.334 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.589 -48.923 47.242 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.982 -50.450 46.632 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.459 -49.519 49.991 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.116 -49.500 49.380 1.00 0.00 H new ATOM 340 N TYR A 24 -12.346 -48.544 44.544 1.00 0.00 N ATOM 341 CA TYR A 24 -13.397 -48.802 43.586 1.00 0.00 C ATOM 342 C TYR A 24 -13.022 -48.369 42.168 1.00 0.00 C ATOM 343 O TYR A 24 -13.176 -49.139 41.224 1.00 0.00 O ATOM 344 CB TYR A 24 -14.671 -48.107 44.068 1.00 0.00 C ATOM 345 CG TYR A 24 -15.794 -48.049 43.068 1.00 0.00 C ATOM 346 CD1 TYR A 24 -16.597 -49.147 42.844 1.00 0.00 C ATOM 347 CD2 TYR A 24 -16.059 -46.882 42.368 1.00 0.00 C ATOM 348 CE1 TYR A 24 -17.639 -49.099 41.942 1.00 0.00 C ATOM 349 CE2 TYR A 24 -17.100 -46.815 41.458 1.00 0.00 C ATOM 350 CZ TYR A 24 -17.888 -47.927 41.248 1.00 0.00 C ATOM 351 OH TYR A 24 -18.933 -47.868 40.347 1.00 0.00 O ATOM 0 H TYR A 24 -12.612 -47.885 45.275 1.00 0.00 H new ATOM 0 HA TYR A 24 -13.561 -49.878 43.526 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -15.029 -48.620 44.961 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -14.419 -47.089 44.365 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -16.406 -50.062 43.385 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -15.443 -46.011 42.535 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -18.257 -49.970 41.778 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -17.293 -45.900 40.917 1.00 0.00 H new ATOM 0 HH TYR A 24 -18.970 -46.974 39.947 1.00 0.00 H new ATOM 361 N LYS A 25 -12.524 -47.153 42.025 1.00 0.00 N ATOM 362 CA LYS A 25 -12.172 -46.618 40.714 1.00 0.00 C ATOM 363 C LYS A 25 -11.010 -47.376 40.067 1.00 0.00 C ATOM 364 O LYS A 25 -11.046 -47.673 38.877 1.00 0.00 O ATOM 365 CB LYS A 25 -11.882 -45.123 40.822 1.00 0.00 C ATOM 366 CG LYS A 25 -13.118 -44.320 41.182 1.00 0.00 C ATOM 367 CD LYS A 25 -12.820 -42.843 41.331 1.00 0.00 C ATOM 368 CE LYS A 25 -14.086 -42.080 41.697 1.00 0.00 C ATOM 369 NZ LYS A 25 -13.839 -40.629 41.878 1.00 0.00 N ATOM 0 H LYS A 25 -12.353 -46.513 42.801 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.027 -46.760 40.053 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.112 -44.958 41.576 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.482 -44.764 39.874 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.876 -44.460 40.412 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.537 -44.700 42.114 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.063 -42.694 42.101 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.409 -42.453 40.400 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.832 -42.224 40.916 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.503 -42.492 42.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.744 -40.117 41.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.373 -40.468 42.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.227 -40.283 41.112 1.00 0.00 H new ATOM 383 N VAL A 26 -9.997 -47.691 40.861 1.00 0.00 N ATOM 384 CA VAL A 26 -8.834 -48.445 40.376 1.00 0.00 C ATOM 385 C VAL A 26 -9.259 -49.852 39.955 1.00 0.00 C ATOM 386 O VAL A 26 -8.855 -50.352 38.903 1.00 0.00 O ATOM 387 CB VAL A 26 -7.744 -48.541 41.468 1.00 0.00 C ATOM 388 CG1 VAL A 26 -6.546 -49.289 40.956 1.00 0.00 C ATOM 389 CG2 VAL A 26 -7.337 -47.162 41.929 1.00 0.00 C ATOM 0 H VAL A 26 -9.950 -47.438 41.848 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.422 -47.916 39.517 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.158 -49.087 42.316 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.790 -49.346 41.739 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.843 -50.297 40.665 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.134 -48.768 40.092 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.569 -47.247 42.698 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.943 -46.597 41.084 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.204 -46.645 42.339 1.00 0.00 H new ATOM 399 N LYS A 27 -10.091 -50.471 40.780 1.00 0.00 N ATOM 400 CA LYS A 27 -10.593 -51.815 40.519 1.00 0.00 C ATOM 401 C LYS A 27 -11.431 -51.824 39.241 1.00 0.00 C ATOM 402 O LYS A 27 -11.322 -52.727 38.419 1.00 0.00 O ATOM 403 CB LYS A 27 -11.426 -52.289 41.717 1.00 0.00 C ATOM 404 CG LYS A 27 -11.852 -53.746 41.666 1.00 0.00 C ATOM 405 CD LYS A 27 -12.581 -54.138 42.946 1.00 0.00 C ATOM 406 CE LYS A 27 -12.981 -55.603 42.933 1.00 0.00 C ATOM 407 NZ LYS A 27 -13.619 -56.007 44.207 1.00 0.00 N ATOM 0 H LYS A 27 -10.437 -50.059 41.646 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.754 -52.497 40.380 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.850 -52.126 42.628 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.318 -51.667 41.789 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.502 -53.910 40.806 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.977 -54.382 41.530 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.940 -53.943 43.805 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.470 -53.518 43.064 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.669 -55.785 42.107 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.100 -56.219 42.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.879 -57.013 44.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.953 -55.856 44.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.474 -55.436 44.364 1.00 0.00 H new ATOM 421 N HIS A 28 -12.258 -50.797 39.089 1.00 0.00 N ATOM 422 CA HIS A 28 -13.104 -50.636 37.909 1.00 0.00 C ATOM 423 C HIS A 28 -12.250 -50.374 36.661 1.00 0.00 C ATOM 424 O HIS A 28 -12.570 -50.842 35.571 1.00 0.00 O ATOM 425 CB HIS A 28 -14.112 -49.500 38.139 1.00 0.00 C ATOM 426 CG HIS A 28 -15.133 -49.344 37.053 1.00 0.00 C ATOM 427 ND1 HIS A 28 -15.735 -50.257 36.256 1.00 0.00 N flip ATOM 428 CD2 HIS A 28 -15.674 -48.122 36.702 1.00 0.00 C flip ATOM 429 CE1 HIS A 28 -16.619 -49.578 35.453 1.00 0.00 C flip ATOM 430 NE2 HIS A 28 -16.563 -48.293 35.744 1.00 0.00 N flip ATOM 0 H HIS A 28 -12.362 -50.052 39.778 1.00 0.00 H new ATOM 0 HA HIS A 28 -13.658 -51.560 37.742 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -14.628 -49.675 39.083 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -13.566 -48.563 38.244 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -15.564 -51.263 36.252 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -15.409 -47.173 37.144 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -17.257 -50.024 34.704 1.00 0.00 H new ATOM 438 N ALA A 29 -11.162 -49.627 36.840 1.00 0.00 N ATOM 439 CA ALA A 29 -10.235 -49.313 35.752 1.00 0.00 C ATOM 440 C ALA A 29 -9.635 -50.586 35.168 1.00 0.00 C ATOM 441 O ALA A 29 -9.391 -50.678 33.961 1.00 0.00 O ATOM 442 CB ALA A 29 -9.126 -48.393 36.251 1.00 0.00 C ATOM 0 H ALA A 29 -10.898 -49.223 37.739 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.792 -48.803 34.966 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.444 -48.168 35.431 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.562 -47.467 36.625 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.578 -48.886 37.054 1.00 0.00 H new ATOM 448 N LEU A 30 -9.421 -51.566 36.034 1.00 0.00 N ATOM 449 CA LEU A 30 -8.852 -52.849 35.638 1.00 0.00 C ATOM 450 C LEU A 30 -9.754 -53.544 34.632 1.00 0.00 C ATOM 451 O LEU A 30 -9.280 -54.169 33.681 1.00 0.00 O ATOM 452 CB LEU A 30 -8.660 -53.743 36.864 1.00 0.00 C ATOM 453 CG LEU A 30 -7.627 -53.261 37.885 1.00 0.00 C ATOM 454 CD1 LEU A 30 -7.638 -54.148 39.120 1.00 0.00 C ATOM 455 CD2 LEU A 30 -6.237 -53.229 37.266 1.00 0.00 C ATOM 0 H LEU A 30 -9.636 -51.496 37.029 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.883 -52.666 35.174 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.621 -53.847 37.369 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.370 -54.737 36.523 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.894 -52.248 38.187 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.896 -53.788 39.833 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.626 -54.120 39.579 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.399 -55.172 38.834 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.516 -52.884 38.007 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.964 -54.230 36.933 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.234 -52.550 36.413 1.00 0.00 H new ATOM 467 N GLU A 31 -11.061 -53.420 34.839 1.00 0.00 N ATOM 468 CA GLU A 31 -12.040 -54.050 33.976 1.00 0.00 C ATOM 469 C GLU A 31 -11.931 -53.520 32.538 1.00 0.00 C ATOM 470 O GLU A 31 -12.112 -54.273 31.574 1.00 0.00 O ATOM 471 CB GLU A 31 -13.450 -53.837 34.529 1.00 0.00 C ATOM 472 CG GLU A 31 -13.634 -54.375 35.941 1.00 0.00 C ATOM 473 CD GLU A 31 -15.064 -54.287 36.426 1.00 0.00 C ATOM 474 OE1 GLU A 31 -15.472 -53.217 36.924 1.00 0.00 O ATOM 475 OE2 GLU A 31 -15.789 -55.303 36.316 1.00 0.00 O ATOM 0 H GLU A 31 -11.464 -52.882 35.606 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.836 -55.120 33.951 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.678 -52.771 34.522 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.169 -54.321 33.867 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -13.309 -55.415 35.973 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.990 -53.819 36.622 1.00 0.00 H new ATOM 482 N PHE A 32 -11.647 -52.233 32.396 1.00 0.00 N ATOM 483 CA PHE A 32 -11.469 -51.635 31.073 1.00 0.00 C ATOM 484 C PHE A 32 -10.187 -52.148 30.420 1.00 0.00 C ATOM 485 O PHE A 32 -10.129 -52.352 29.201 1.00 0.00 O ATOM 486 CB PHE A 32 -11.446 -50.107 31.150 1.00 0.00 C ATOM 487 CG PHE A 32 -12.742 -49.508 31.603 1.00 0.00 C ATOM 488 CD1 PHE A 32 -13.805 -49.391 30.728 1.00 0.00 C ATOM 489 CD2 PHE A 32 -12.900 -49.072 32.904 1.00 0.00 C ATOM 490 CE1 PHE A 32 -15.003 -48.849 31.145 1.00 0.00 C ATOM 491 CE2 PHE A 32 -14.092 -48.529 33.326 1.00 0.00 C ATOM 492 CZ PHE A 32 -15.148 -48.417 32.445 1.00 0.00 C ATOM 0 H PHE A 32 -11.535 -51.583 33.174 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.321 -51.930 30.460 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.655 -49.798 31.833 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -11.194 -49.706 30.168 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -13.697 -49.727 29.707 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -12.078 -49.158 33.599 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -15.827 -48.763 30.452 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -14.201 -48.191 34.346 1.00 0.00 H new ATOM 0 HZ PHE A 32 -16.085 -47.992 32.773 1.00 0.00 H new ATOM 502 N LEU A 33 -9.165 -52.356 31.243 1.00 0.00 N ATOM 503 CA LEU A 33 -7.874 -52.853 30.777 1.00 0.00 C ATOM 504 C LEU A 33 -8.024 -54.244 30.185 1.00 0.00 C ATOM 505 O LEU A 33 -7.440 -54.559 29.156 1.00 0.00 O ATOM 506 CB LEU A 33 -6.870 -52.866 31.930 1.00 0.00 C ATOM 507 CG LEU A 33 -6.444 -51.494 32.456 1.00 0.00 C ATOM 508 CD1 LEU A 33 -5.496 -51.643 33.633 1.00 0.00 C ATOM 509 CD2 LEU A 33 -5.800 -50.671 31.351 1.00 0.00 C ATOM 0 H LEU A 33 -9.207 -52.186 32.248 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.502 -52.188 29.998 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.300 -53.433 32.755 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.979 -53.403 31.605 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.335 -50.968 32.798 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.205 -50.656 33.993 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.994 -52.189 34.434 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.608 -52.191 33.318 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.504 -49.699 31.746 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.920 -51.193 30.975 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.513 -50.531 30.539 1.00 0.00 H new ATOM 521 N GLU A 34 -8.826 -55.060 30.844 1.00 0.00 N ATOM 522 CA GLU A 34 -9.132 -56.419 30.393 1.00 0.00 C ATOM 523 C GLU A 34 -9.634 -56.428 28.946 1.00 0.00 C ATOM 524 O GLU A 34 -9.397 -57.379 28.205 1.00 0.00 O ATOM 525 CB GLU A 34 -10.220 -57.034 31.270 1.00 0.00 C ATOM 526 CG GLU A 34 -9.881 -57.165 32.739 1.00 0.00 C ATOM 527 CD GLU A 34 -10.983 -57.869 33.508 1.00 0.00 C ATOM 528 OE1 GLU A 34 -11.975 -57.209 33.875 1.00 0.00 O ATOM 529 OE2 GLU A 34 -10.868 -59.098 33.730 1.00 0.00 O ATOM 0 H GLU A 34 -9.291 -54.803 31.715 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.209 -56.995 30.462 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.122 -56.429 31.176 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.458 -58.024 30.881 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.949 -57.719 32.849 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.716 -56.175 33.164 1.00 0.00 H new ATOM 536 N GLN A 35 -10.338 -55.370 28.563 1.00 0.00 N ATOM 537 CA GLN A 35 -10.911 -55.259 27.232 1.00 0.00 C ATOM 538 C GLN A 35 -9.857 -54.865 26.198 1.00 0.00 C ATOM 539 O GLN A 35 -10.119 -54.883 24.991 1.00 0.00 O ATOM 540 CB GLN A 35 -12.037 -54.234 27.235 1.00 0.00 C ATOM 541 CG GLN A 35 -13.206 -54.606 28.131 1.00 0.00 C ATOM 542 CD GLN A 35 -14.322 -53.583 28.089 1.00 0.00 C ATOM 543 OE1 GLN A 35 -14.578 -52.964 27.055 1.00 0.00 O ATOM 544 NE2 GLN A 35 -14.987 -53.396 29.213 1.00 0.00 N ATOM 0 H GLN A 35 -10.526 -54.569 29.165 1.00 0.00 H new ATOM 0 HA GLN A 35 -11.305 -56.237 26.956 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -11.638 -53.272 27.556 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.400 -54.105 26.215 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.597 -55.577 27.827 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -12.853 -54.711 29.157 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.741 -53.931 30.046 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.747 -52.717 29.249 1.00 0.00 H new ATOM 553 N GLY A 36 -8.674 -54.514 26.672 1.00 0.00 N ATOM 554 CA GLY A 36 -7.605 -54.109 25.780 1.00 0.00 C ATOM 555 C GLY A 36 -7.586 -52.618 25.542 1.00 0.00 C ATOM 556 O GLY A 36 -6.861 -52.127 24.674 1.00 0.00 O ATOM 0 H GLY A 36 -8.432 -54.502 27.663 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.648 -54.419 26.200 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.717 -54.625 24.826 1.00 0.00 H new ATOM 560 N LYS A 37 -8.372 -51.890 26.318 1.00 0.00 N ATOM 561 CA LYS A 37 -8.444 -50.451 26.170 1.00 0.00 C ATOM 562 C LYS A 37 -7.484 -49.778 27.132 1.00 0.00 C ATOM 563 O LYS A 37 -6.738 -50.441 27.847 1.00 0.00 O ATOM 564 CB LYS A 37 -9.860 -49.940 26.415 1.00 0.00 C ATOM 565 CG LYS A 37 -10.917 -50.580 25.537 1.00 0.00 C ATOM 566 CD LYS A 37 -12.264 -49.923 25.756 1.00 0.00 C ATOM 567 CE LYS A 37 -13.396 -50.731 25.121 1.00 0.00 C ATOM 568 NZ LYS A 37 -13.224 -50.919 23.658 1.00 0.00 N ATOM 0 H LYS A 37 -8.966 -52.273 27.054 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.163 -50.206 25.146 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.120 -50.112 27.460 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.877 -48.862 26.256 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.629 -50.491 24.489 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.986 -51.645 25.759 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.448 -49.817 26.825 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.252 -48.918 25.333 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.453 -51.707 25.603 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.344 -50.227 25.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.061 -51.399 23.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.112 -49.992 23.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.379 -51.498 23.479 1.00 0.00 H new ATOM 582 N HIS A 38 -7.505 -48.464 27.148 1.00 0.00 N ATOM 583 CA HIS A 38 -6.628 -47.700 28.015 1.00 0.00 C ATOM 584 C HIS A 38 -7.446 -46.917 29.019 1.00 0.00 C ATOM 585 O HIS A 38 -8.616 -46.605 28.771 1.00 0.00 O ATOM 586 CB HIS A 38 -5.773 -46.712 27.205 1.00 0.00 C ATOM 587 CG HIS A 38 -4.758 -47.332 26.284 1.00 0.00 C ATOM 588 ND1 HIS A 38 -3.584 -46.700 25.936 1.00 0.00 N ATOM 589 CD2 HIS A 38 -4.756 -48.511 25.611 1.00 0.00 C ATOM 590 CE1 HIS A 38 -2.909 -47.456 25.092 1.00 0.00 C ATOM 591 NE2 HIS A 38 -3.596 -48.559 24.881 1.00 0.00 N ATOM 0 H HIS A 38 -8.123 -47.897 26.568 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.973 -48.404 28.528 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.439 -46.084 26.613 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.252 -46.055 27.901 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.524 -49.269 25.644 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.955 -47.212 24.649 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -3.311 -49.326 24.272 1.00 0.00 H new ATOM 599 N VAL A 39 -6.845 -46.614 30.151 1.00 0.00 N ATOM 600 CA VAL A 39 -7.480 -45.773 31.138 1.00 0.00 C ATOM 601 C VAL A 39 -6.653 -44.531 31.343 1.00 0.00 C ATOM 602 O VAL A 39 -5.453 -44.607 31.634 1.00 0.00 O ATOM 603 CB VAL A 39 -7.676 -46.491 32.502 1.00 0.00 C ATOM 604 CG1 VAL A 39 -7.983 -45.486 33.597 1.00 0.00 C ATOM 605 CG2 VAL A 39 -8.805 -47.493 32.419 1.00 0.00 C ATOM 0 H VAL A 39 -5.914 -46.940 30.409 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.470 -45.521 30.759 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.748 -47.011 32.740 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.117 -46.009 34.544 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.157 -44.781 33.686 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.896 -44.945 33.349 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.926 -47.985 33.384 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.729 -46.979 32.155 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.575 -48.239 31.658 1.00 0.00 H new ATOM 615 N ARG A 40 -7.284 -43.396 31.186 1.00 0.00 N ATOM 616 CA ARG A 40 -6.626 -42.139 31.392 1.00 0.00 C ATOM 617 C ARG A 40 -7.046 -41.571 32.719 1.00 0.00 C ATOM 618 O ARG A 40 -8.208 -41.206 32.917 1.00 0.00 O ATOM 619 CB ARG A 40 -6.935 -41.171 30.234 1.00 0.00 C ATOM 620 CG ARG A 40 -6.325 -39.788 30.387 1.00 0.00 C ATOM 621 CD ARG A 40 -6.465 -38.966 29.104 1.00 0.00 C ATOM 622 NE ARG A 40 -7.864 -38.733 28.706 1.00 0.00 N ATOM 623 CZ ARG A 40 -8.278 -38.633 27.427 1.00 0.00 C ATOM 624 NH1 ARG A 40 -7.414 -38.791 26.432 1.00 0.00 N ATOM 625 NH2 ARG A 40 -9.554 -38.382 27.151 1.00 0.00 N ATOM 0 H ARG A 40 -8.264 -43.321 30.913 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.546 -42.288 31.407 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.576 -41.611 29.304 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.016 -41.069 30.142 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.811 -39.264 31.210 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.271 -39.881 30.647 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.970 -38.005 29.242 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.946 -39.479 28.295 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.563 -38.642 29.444 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.434 -38.989 26.634 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.730 -38.715 25.465 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.226 -38.264 27.909 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.861 -38.308 26.181 1.00 0.00 H new ATOM 639 N PHE A 41 -6.109 -41.514 33.636 1.00 0.00 N ATOM 640 CA PHE A 41 -6.395 -41.019 34.970 1.00 0.00 C ATOM 641 C PHE A 41 -6.305 -39.505 34.974 1.00 0.00 C ATOM 642 O PHE A 41 -5.320 -38.928 34.504 1.00 0.00 O ATOM 643 CB PHE A 41 -5.428 -41.633 36.001 1.00 0.00 C ATOM 644 CG PHE A 41 -5.570 -43.133 36.157 1.00 0.00 C ATOM 645 CD1 PHE A 41 -4.835 -43.994 35.356 1.00 0.00 C ATOM 646 CD2 PHE A 41 -6.438 -43.684 37.100 1.00 0.00 C ATOM 647 CE1 PHE A 41 -4.961 -45.366 35.486 1.00 0.00 C ATOM 648 CE2 PHE A 41 -6.561 -45.051 37.231 1.00 0.00 C ATOM 649 CZ PHE A 41 -5.829 -45.894 36.426 1.00 0.00 C ATOM 0 H PHE A 41 -5.142 -41.803 33.487 1.00 0.00 H new ATOM 0 HA PHE A 41 -7.405 -41.315 35.253 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -4.404 -41.403 35.706 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -5.595 -41.159 36.968 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.155 -43.589 34.621 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.020 -43.032 37.735 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.383 -46.024 34.855 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.235 -45.462 37.968 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.932 -46.964 36.528 1.00 0.00 H new ATOM 659 N ARG A 42 -7.342 -38.862 35.476 1.00 0.00 N ATOM 660 CA ARG A 42 -7.423 -37.413 35.458 1.00 0.00 C ATOM 661 C ARG A 42 -7.805 -36.890 36.836 1.00 0.00 C ATOM 662 O ARG A 42 -8.939 -37.027 37.256 1.00 0.00 O ATOM 663 CB ARG A 42 -8.485 -36.981 34.441 1.00 0.00 C ATOM 664 CG ARG A 42 -8.255 -37.502 33.016 1.00 0.00 C ATOM 665 CD ARG A 42 -7.314 -36.610 32.218 1.00 0.00 C ATOM 666 NE ARG A 42 -7.903 -35.286 31.995 1.00 0.00 N ATOM 667 CZ ARG A 42 -7.787 -34.571 30.863 1.00 0.00 C ATOM 668 NH1 ARG A 42 -7.014 -35.001 29.866 1.00 0.00 N ATOM 669 NH2 ARG A 42 -8.440 -33.422 30.741 1.00 0.00 N ATOM 0 H ARG A 42 -8.145 -39.323 35.904 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.451 -37.005 35.180 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.460 -37.324 34.786 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.521 -35.892 34.414 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.844 -38.510 33.062 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.212 -37.572 32.498 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.368 -36.506 32.750 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.090 -37.078 31.259 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.442 -34.876 32.758 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.504 -35.880 29.958 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.932 -34.451 29.011 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.027 -33.085 31.504 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.355 -32.876 29.884 1.00 0.00 H new ATOM 683 N VAL A 43 -6.869 -36.291 37.524 1.00 0.00 N ATOM 684 CA VAL A 43 -7.129 -35.759 38.851 1.00 0.00 C ATOM 685 C VAL A 43 -7.147 -34.240 38.823 1.00 0.00 C ATOM 686 O VAL A 43 -6.273 -33.607 38.227 1.00 0.00 O ATOM 687 CB VAL A 43 -6.102 -36.267 39.909 1.00 0.00 C ATOM 688 CG1 VAL A 43 -4.695 -35.855 39.556 1.00 0.00 C ATOM 689 CG2 VAL A 43 -6.460 -35.773 41.299 1.00 0.00 C ATOM 0 H VAL A 43 -5.914 -36.155 37.193 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.111 -36.125 39.152 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.148 -37.356 39.905 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.006 -36.226 40.315 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.426 -36.273 38.586 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.635 -34.768 39.512 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.727 -36.142 42.016 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.460 -34.683 41.309 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.450 -36.138 41.571 1.00 0.00 H new ATOM 699 N PHE A 44 -8.159 -33.664 39.446 1.00 0.00 N ATOM 700 CA PHE A 44 -8.310 -32.227 39.480 1.00 0.00 C ATOM 701 C PHE A 44 -7.980 -31.699 40.857 1.00 0.00 C ATOM 702 O PHE A 44 -8.423 -32.256 41.870 1.00 0.00 O ATOM 703 CB PHE A 44 -9.735 -31.827 39.088 1.00 0.00 C ATOM 704 CG PHE A 44 -9.949 -30.341 39.011 1.00 0.00 C ATOM 705 CD1 PHE A 44 -9.529 -29.629 37.899 1.00 0.00 C ATOM 706 CD2 PHE A 44 -10.576 -29.657 40.045 1.00 0.00 C ATOM 707 CE1 PHE A 44 -9.728 -28.264 37.816 1.00 0.00 C ATOM 708 CE2 PHE A 44 -10.776 -28.293 39.972 1.00 0.00 C ATOM 709 CZ PHE A 44 -10.353 -27.593 38.856 1.00 0.00 C ATOM 0 H PHE A 44 -8.891 -34.176 39.937 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.618 -31.790 38.760 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.973 -32.270 38.121 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.433 -32.248 39.812 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.040 -30.147 37.087 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -10.911 -30.199 40.917 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.397 -27.721 36.943 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.262 -27.773 40.785 1.00 0.00 H new ATOM 0 HZ PHE A 44 -10.509 -26.526 38.795 1.00 0.00 H new ATOM 719 N LEU A 45 -7.198 -30.642 40.900 1.00 0.00 N ATOM 720 CA LEU A 45 -6.810 -30.048 42.170 1.00 0.00 C ATOM 721 C LEU A 45 -7.781 -28.907 42.490 1.00 0.00 C ATOM 722 O LEU A 45 -7.830 -27.897 41.774 1.00 0.00 O ATOM 723 CB LEU A 45 -5.369 -29.542 42.081 1.00 0.00 C ATOM 724 CG LEU A 45 -4.365 -30.551 41.488 1.00 0.00 C ATOM 725 CD1 LEU A 45 -2.971 -29.972 41.445 1.00 0.00 C ATOM 726 CD2 LEU A 45 -4.371 -31.848 42.262 1.00 0.00 C ATOM 0 H LEU A 45 -6.818 -30.175 40.077 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.856 -30.787 42.970 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.354 -28.636 41.475 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.035 -29.262 43.080 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.680 -30.762 40.466 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.285 -30.706 41.022 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.969 -29.075 40.826 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.652 -29.717 42.455 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.653 -32.539 41.820 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.097 -31.654 43.299 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.367 -32.288 42.226 1.00 0.00 H new ATOM 738 N LYS A 46 -8.547 -29.070 43.560 1.00 0.00 N ATOM 739 CA LYS A 46 -9.636 -28.149 43.870 1.00 0.00 C ATOM 740 C LYS A 46 -9.327 -27.227 45.055 1.00 0.00 C ATOM 741 O LYS A 46 -9.237 -26.007 44.892 1.00 0.00 O ATOM 742 CB LYS A 46 -10.921 -28.952 44.126 1.00 0.00 C ATOM 743 CG LYS A 46 -12.150 -28.106 44.389 1.00 0.00 C ATOM 744 CD LYS A 46 -13.387 -28.978 44.519 1.00 0.00 C ATOM 745 CE LYS A 46 -14.638 -28.152 44.768 1.00 0.00 C ATOM 746 NZ LYS A 46 -14.610 -27.499 46.102 1.00 0.00 N ATOM 0 H LYS A 46 -8.436 -29.831 44.229 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.768 -27.495 43.008 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.113 -29.590 43.264 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.759 -29.610 44.980 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -12.010 -27.527 45.302 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.286 -27.392 43.577 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -13.515 -29.565 43.610 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -13.249 -29.684 45.338 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -14.732 -27.392 43.993 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -15.517 -28.792 44.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -15.527 -27.043 46.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -14.427 -28.214 46.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -13.857 -26.782 46.122 1.00 0.00 H new ATOM 760 N GLY A 47 -9.172 -27.805 46.235 1.00 0.00 N ATOM 761 CA GLY A 47 -8.913 -27.006 47.420 1.00 0.00 C ATOM 762 C GLY A 47 -7.465 -26.670 47.526 1.00 0.00 C ATOM 763 O GLY A 47 -6.709 -27.388 48.187 1.00 0.00 O ATOM 0 H GLY A 47 -9.220 -28.811 46.397 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.502 -26.089 47.382 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.230 -27.552 48.309 1.00 0.00 H new ATOM 767 N ARG A 48 -7.083 -25.558 46.901 1.00 0.00 N ATOM 768 CA ARG A 48 -5.691 -25.187 46.753 1.00 0.00 C ATOM 769 C ARG A 48 -5.022 -26.295 45.947 1.00 0.00 C ATOM 770 O ARG A 48 -5.355 -26.466 44.778 1.00 0.00 O ATOM 771 CB ARG A 48 -5.003 -24.972 48.117 1.00 0.00 C ATOM 772 CG ARG A 48 -3.640 -24.301 48.015 1.00 0.00 C ATOM 773 CD ARG A 48 -2.973 -24.173 49.372 1.00 0.00 C ATOM 774 NE ARG A 48 -3.803 -23.453 50.340 1.00 0.00 N ATOM 775 CZ ARG A 48 -3.400 -23.119 51.569 1.00 0.00 C ATOM 776 NH1 ARG A 48 -2.152 -23.372 51.951 1.00 0.00 N ATOM 777 NH2 ARG A 48 -4.237 -22.520 52.405 1.00 0.00 N ATOM 0 H ARG A 48 -7.736 -24.893 46.485 1.00 0.00 H new ATOM 0 HA ARG A 48 -5.604 -24.232 46.235 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.651 -24.365 48.749 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.888 -25.936 48.612 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.000 -24.878 47.348 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.754 -23.312 47.571 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -2.750 -25.167 49.759 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -2.021 -23.654 49.258 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.747 -23.190 50.058 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.502 -23.821 51.306 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.844 -23.117 52.889 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.191 -22.313 52.110 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.927 -22.266 53.343 1.00 0.00 H new ATOM 791 N GLU A 49 -4.127 -27.069 46.589 1.00 0.00 N ATOM 792 CA GLU A 49 -3.508 -28.248 46.009 1.00 0.00 C ATOM 793 C GLU A 49 -2.625 -27.971 44.770 1.00 0.00 C ATOM 794 O GLU A 49 -1.534 -28.515 44.665 1.00 0.00 O ATOM 795 CB GLU A 49 -4.588 -29.264 45.711 1.00 0.00 C ATOM 796 CG GLU A 49 -5.275 -29.772 46.969 1.00 0.00 C ATOM 797 CD GLU A 49 -6.510 -30.609 46.699 1.00 0.00 C ATOM 798 OE1 GLU A 49 -7.151 -30.429 45.637 1.00 0.00 O ATOM 799 OE2 GLU A 49 -6.862 -31.431 47.574 1.00 0.00 O ATOM 0 H GLU A 49 -3.817 -26.878 47.542 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.807 -28.641 46.746 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.331 -28.816 45.051 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.151 -30.106 45.174 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.565 -30.365 47.545 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.554 -28.920 47.588 1.00 0.00 H new ATOM 806 N MET A 50 -3.092 -27.120 43.863 1.00 0.00 N ATOM 807 CA MET A 50 -2.389 -26.809 42.637 1.00 0.00 C ATOM 808 C MET A 50 -1.046 -26.134 42.907 1.00 0.00 C ATOM 809 O MET A 50 -0.160 -26.123 42.051 1.00 0.00 O ATOM 810 CB MET A 50 -3.277 -25.949 41.737 1.00 0.00 C ATOM 811 CG MET A 50 -2.748 -25.805 40.332 1.00 0.00 C ATOM 812 SD MET A 50 -3.962 -25.117 39.189 1.00 0.00 S ATOM 813 CE MET A 50 -5.101 -26.495 39.048 1.00 0.00 C ATOM 0 H MET A 50 -3.978 -26.625 43.965 1.00 0.00 H new ATOM 0 HA MET A 50 -2.167 -27.744 42.122 1.00 0.00 H new ATOM 0 HB2 MET A 50 -4.274 -26.387 41.698 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.381 -24.959 42.181 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.866 -25.165 40.346 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.427 -26.781 39.969 1.00 0.00 H new ATOM 0 HE1 MET A 50 -5.777 -26.324 38.210 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.540 -27.415 38.880 1.00 0.00 H new ATOM 0 HE3 MET A 50 -5.679 -26.585 39.968 1.00 0.00 H new ATOM 823 N ALA A 51 -0.898 -25.566 44.100 1.00 0.00 N ATOM 824 CA ALA A 51 0.369 -24.981 44.508 1.00 0.00 C ATOM 825 C ALA A 51 1.448 -26.065 44.552 1.00 0.00 C ATOM 826 O ALA A 51 2.626 -25.801 44.314 1.00 0.00 O ATOM 827 CB ALA A 51 0.233 -24.308 45.867 1.00 0.00 C ATOM 0 H ALA A 51 -1.639 -25.500 44.798 1.00 0.00 H new ATOM 0 HA ALA A 51 0.659 -24.222 43.781 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.191 -23.876 46.156 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.518 -23.520 45.809 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.071 -25.046 46.610 1.00 0.00 H new ATOM 833 N THR A 52 1.019 -27.289 44.853 1.00 0.00 N ATOM 834 CA THR A 52 1.904 -28.440 44.888 1.00 0.00 C ATOM 835 C THR A 52 1.351 -29.559 44.005 1.00 0.00 C ATOM 836 O THR A 52 0.551 -30.384 44.455 1.00 0.00 O ATOM 837 CB THR A 52 2.100 -28.961 46.329 1.00 0.00 C ATOM 838 OG1 THR A 52 0.820 -29.082 46.981 1.00 0.00 O ATOM 839 CG2 THR A 52 2.996 -28.026 47.132 1.00 0.00 C ATOM 0 H THR A 52 0.048 -27.505 45.079 1.00 0.00 H new ATOM 0 HA THR A 52 2.875 -28.122 44.507 1.00 0.00 H new ATOM 0 HB THR A 52 2.581 -29.938 46.277 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.215 -29.610 46.419 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.117 -28.417 48.142 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.972 -27.955 46.651 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.541 -27.036 47.178 1.00 0.00 H new ATOM 847 N PRO A 53 1.781 -29.596 42.733 1.00 0.00 N ATOM 848 CA PRO A 53 1.291 -30.563 41.734 1.00 0.00 C ATOM 849 C PRO A 53 1.614 -32.006 42.109 1.00 0.00 C ATOM 850 O PRO A 53 0.977 -32.946 41.619 1.00 0.00 O ATOM 851 CB PRO A 53 2.040 -30.160 40.456 1.00 0.00 C ATOM 852 CG PRO A 53 2.468 -28.757 40.704 1.00 0.00 C ATOM 853 CD PRO A 53 2.788 -28.695 42.157 1.00 0.00 C ATOM 0 HA PRO A 53 0.206 -30.534 41.638 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.896 -30.810 40.275 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.396 -30.230 39.579 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.337 -28.498 40.099 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.677 -28.053 40.445 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.803 -29.032 42.365 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.701 -27.682 42.551 1.00 0.00 H new ATOM 861 N GLU A 54 2.601 -32.173 42.981 1.00 0.00 N ATOM 862 CA GLU A 54 3.026 -33.494 43.427 1.00 0.00 C ATOM 863 C GLU A 54 1.891 -34.237 44.133 1.00 0.00 C ATOM 864 O GLU A 54 1.884 -35.464 44.182 1.00 0.00 O ATOM 865 CB GLU A 54 4.236 -33.384 44.350 1.00 0.00 C ATOM 866 CG GLU A 54 4.846 -34.722 44.722 1.00 0.00 C ATOM 867 CD GLU A 54 6.044 -34.580 45.625 1.00 0.00 C ATOM 868 OE1 GLU A 54 5.860 -34.501 46.857 1.00 0.00 O ATOM 869 OE2 GLU A 54 7.181 -34.534 45.102 1.00 0.00 O ATOM 0 H GLU A 54 3.126 -31.403 43.396 1.00 0.00 H new ATOM 0 HA GLU A 54 3.306 -34.067 42.543 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.996 -32.771 43.866 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.940 -32.864 45.261 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.093 -35.336 45.217 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.140 -35.248 43.814 1.00 0.00 H new ATOM 876 N ALA A 55 0.928 -33.493 44.667 1.00 0.00 N ATOM 877 CA ALA A 55 -0.212 -34.098 45.348 1.00 0.00 C ATOM 878 C ALA A 55 -0.986 -35.003 44.390 1.00 0.00 C ATOM 879 O ALA A 55 -1.409 -36.101 44.756 1.00 0.00 O ATOM 880 CB ALA A 55 -1.117 -33.023 45.922 1.00 0.00 C ATOM 0 H ALA A 55 0.914 -32.473 44.642 1.00 0.00 H new ATOM 0 HA ALA A 55 0.158 -34.709 46.171 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.963 -33.490 46.427 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.557 -32.419 46.636 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.482 -32.386 45.116 1.00 0.00 H new ATOM 886 N GLY A 56 -1.146 -34.536 43.156 1.00 0.00 N ATOM 887 CA GLY A 56 -1.809 -35.324 42.140 1.00 0.00 C ATOM 888 C GLY A 56 -0.995 -36.534 41.769 1.00 0.00 C ATOM 889 O GLY A 56 -1.533 -37.626 41.571 1.00 0.00 O ATOM 0 H GLY A 56 -0.825 -33.620 42.843 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.788 -35.639 42.502 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.978 -34.711 41.254 1.00 0.00 H new ATOM 893 N VAL A 57 0.312 -36.338 41.692 1.00 0.00 N ATOM 894 CA VAL A 57 1.238 -37.397 41.342 1.00 0.00 C ATOM 895 C VAL A 57 1.235 -38.487 42.409 1.00 0.00 C ATOM 896 O VAL A 57 1.182 -39.670 42.098 1.00 0.00 O ATOM 897 CB VAL A 57 2.674 -36.842 41.179 1.00 0.00 C ATOM 898 CG1 VAL A 57 3.657 -37.952 40.840 1.00 0.00 C ATOM 899 CG2 VAL A 57 2.707 -35.758 40.116 1.00 0.00 C ATOM 0 H VAL A 57 0.758 -35.438 41.871 1.00 0.00 H new ATOM 0 HA VAL A 57 0.912 -37.822 40.393 1.00 0.00 H new ATOM 0 HB VAL A 57 2.976 -36.406 42.131 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.657 -37.532 40.732 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.659 -38.693 41.640 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.360 -38.428 39.905 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.724 -35.379 40.014 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.377 -36.172 39.163 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.043 -34.943 40.406 1.00 0.00 H new ATOM 909 N ALA A 58 1.261 -38.071 43.667 1.00 0.00 N ATOM 910 CA ALA A 58 1.282 -38.995 44.795 1.00 0.00 C ATOM 911 C ALA A 58 0.053 -39.894 44.795 1.00 0.00 C ATOM 912 O ALA A 58 0.147 -41.089 45.092 1.00 0.00 O ATOM 913 CB ALA A 58 1.373 -38.222 46.104 1.00 0.00 C ATOM 0 H ALA A 58 1.268 -37.087 43.935 1.00 0.00 H new ATOM 0 HA ALA A 58 2.162 -39.631 44.696 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.388 -38.922 46.940 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.286 -37.627 46.113 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.510 -37.563 46.198 1.00 0.00 H new ATOM 919 N LEU A 59 -1.090 -39.313 44.460 1.00 0.00 N ATOM 920 CA LEU A 59 -2.342 -40.057 44.378 1.00 0.00 C ATOM 921 C LEU A 59 -2.246 -41.131 43.298 1.00 0.00 C ATOM 922 O LEU A 59 -2.602 -42.291 43.522 1.00 0.00 O ATOM 923 CB LEU A 59 -3.484 -39.096 44.036 1.00 0.00 C ATOM 924 CG LEU A 59 -4.870 -39.717 43.869 1.00 0.00 C ATOM 925 CD1 LEU A 59 -5.419 -40.185 45.200 1.00 0.00 C ATOM 926 CD2 LEU A 59 -5.818 -38.730 43.219 1.00 0.00 C ATOM 0 H LEU A 59 -1.178 -38.321 44.239 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.535 -40.534 45.339 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.541 -38.341 44.820 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.229 -38.578 43.112 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.776 -40.587 43.219 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.406 -40.623 45.053 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.750 -40.933 45.627 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.496 -39.337 45.880 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.801 -39.189 43.108 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.901 -37.840 43.843 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.435 -38.450 42.238 1.00 0.00 H new ATOM 938 N LEU A 60 -1.734 -40.734 42.138 1.00 0.00 N ATOM 939 CA LEU A 60 -1.590 -41.629 41.002 1.00 0.00 C ATOM 940 C LEU A 60 -0.583 -42.740 41.295 1.00 0.00 C ATOM 941 O LEU A 60 -0.795 -43.891 40.923 1.00 0.00 O ATOM 942 CB LEU A 60 -1.175 -40.848 39.758 1.00 0.00 C ATOM 943 CG LEU A 60 -2.181 -39.801 39.263 1.00 0.00 C ATOM 944 CD1 LEU A 60 -1.645 -39.076 38.048 1.00 0.00 C ATOM 945 CD2 LEU A 60 -3.527 -40.434 38.950 1.00 0.00 C ATOM 0 H LEU A 60 -1.408 -39.784 41.962 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.558 -42.095 40.818 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.229 -40.347 39.965 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.990 -41.557 38.951 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.326 -39.077 40.065 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.374 -38.338 37.713 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.713 -38.574 38.306 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.461 -39.793 37.248 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.218 -39.666 38.602 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.402 -41.189 38.174 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.927 -40.901 39.850 1.00 0.00 H new ATOM 957 N GLU A 61 0.514 -42.381 41.961 1.00 0.00 N ATOM 958 CA GLU A 61 1.552 -43.348 42.330 1.00 0.00 C ATOM 959 C GLU A 61 0.985 -44.469 43.188 1.00 0.00 C ATOM 960 O GLU A 61 1.342 -45.632 43.011 1.00 0.00 O ATOM 961 CB GLU A 61 2.691 -42.640 43.068 1.00 0.00 C ATOM 962 CG GLU A 61 3.509 -41.730 42.176 1.00 0.00 C ATOM 963 CD GLU A 61 4.360 -42.501 41.196 1.00 0.00 C ATOM 964 OE1 GLU A 61 5.363 -43.106 41.628 1.00 0.00 O ATOM 965 OE2 GLU A 61 4.035 -42.515 39.992 1.00 0.00 O ATOM 0 H GLU A 61 0.709 -41.425 42.258 1.00 0.00 H new ATOM 0 HA GLU A 61 1.940 -43.792 41.414 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.275 -42.055 43.888 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.348 -43.388 43.512 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.841 -41.065 41.629 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.150 -41.100 42.793 1.00 0.00 H new ATOM 972 N LYS A 62 0.095 -44.117 44.102 1.00 0.00 N ATOM 973 CA LYS A 62 -0.545 -45.101 44.962 1.00 0.00 C ATOM 974 C LYS A 62 -1.352 -46.085 44.130 1.00 0.00 C ATOM 975 O LYS A 62 -1.314 -47.296 44.352 1.00 0.00 O ATOM 976 CB LYS A 62 -1.433 -44.407 45.990 1.00 0.00 C ATOM 977 CG LYS A 62 -2.059 -45.352 46.991 1.00 0.00 C ATOM 978 CD LYS A 62 -2.687 -44.590 48.139 1.00 0.00 C ATOM 979 CE LYS A 62 -1.608 -43.960 49.008 1.00 0.00 C ATOM 980 NZ LYS A 62 -2.142 -43.402 50.269 1.00 0.00 N ATOM 0 H LYS A 62 -0.201 -43.155 44.268 1.00 0.00 H new ATOM 0 HA LYS A 62 0.227 -45.656 45.495 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.841 -43.665 46.526 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.224 -43.868 45.469 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.816 -45.961 46.497 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.301 -46.035 47.375 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.349 -43.816 47.751 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.300 -45.263 48.739 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.851 -44.709 49.239 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.112 -43.168 48.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.365 -42.986 50.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.845 -42.667 50.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.592 -44.160 50.821 1.00 0.00 H new ATOM 994 N ILE A 63 -2.073 -45.552 43.172 1.00 0.00 N ATOM 995 CA ILE A 63 -2.866 -46.352 42.263 1.00 0.00 C ATOM 996 C ILE A 63 -1.977 -47.228 41.394 1.00 0.00 C ATOM 997 O ILE A 63 -2.265 -48.409 41.193 1.00 0.00 O ATOM 998 CB ILE A 63 -3.741 -45.452 41.380 1.00 0.00 C ATOM 999 CG1 ILE A 63 -4.790 -44.759 42.243 1.00 0.00 C ATOM 1000 CG2 ILE A 63 -4.397 -46.251 40.262 1.00 0.00 C ATOM 1001 CD1 ILE A 63 -5.594 -43.727 41.512 1.00 0.00 C ATOM 0 H ILE A 63 -2.128 -44.548 42.999 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.511 -46.998 42.858 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.110 -44.697 40.912 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.466 -45.511 42.649 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.294 -44.285 43.090 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.011 -45.588 39.653 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.627 -46.706 39.640 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.024 -47.032 40.692 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.318 -43.280 42.193 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.930 -42.952 41.129 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.120 -44.197 40.681 1.00 0.00 H new ATOM 1013 N TRP A 64 -0.895 -46.646 40.890 1.00 0.00 N ATOM 1014 CA TRP A 64 0.022 -47.361 40.017 1.00 0.00 C ATOM 1015 C TRP A 64 0.579 -48.594 40.712 1.00 0.00 C ATOM 1016 O TRP A 64 0.699 -49.643 40.107 1.00 0.00 O ATOM 1017 CB TRP A 64 1.155 -46.450 39.528 1.00 0.00 C ATOM 1018 CG TRP A 64 2.175 -47.177 38.699 1.00 0.00 C ATOM 1019 CD1 TRP A 64 3.509 -47.274 38.935 1.00 0.00 C ATOM 1020 CD2 TRP A 64 1.925 -47.935 37.510 1.00 0.00 C ATOM 1021 NE1 TRP A 64 4.102 -48.033 37.950 1.00 0.00 N ATOM 1022 CE2 TRP A 64 3.153 -48.454 37.081 1.00 0.00 C ATOM 1023 CE3 TRP A 64 0.784 -48.224 36.770 1.00 0.00 C ATOM 1024 CZ2 TRP A 64 3.273 -49.245 35.951 1.00 0.00 C ATOM 1025 CZ3 TRP A 64 0.911 -49.010 35.644 1.00 0.00 C ATOM 1026 CH2 TRP A 64 2.145 -49.511 35.252 1.00 0.00 C ATOM 0 H TRP A 64 -0.633 -45.677 41.073 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.540 -47.687 39.142 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.731 -45.635 38.941 1.00 0.00 H new ATOM 0 HB3 TRP A 64 1.649 -45.999 40.389 1.00 0.00 H new ATOM 0 HD1 TRP A 64 4.027 -46.824 39.769 1.00 0.00 H new ATOM 0 HE1 TRP A 64 5.098 -48.244 37.886 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -0.180 -47.841 37.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 4.231 -49.635 35.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.035 -49.240 35.056 1.00 0.00 H new ATOM 0 HH2 TRP A 64 2.206 -50.128 34.368 1.00 0.00 H new ATOM 1037 N THR A 65 0.877 -48.464 41.989 1.00 0.00 N ATOM 1038 CA THR A 65 1.382 -49.580 42.774 1.00 0.00 C ATOM 1039 C THR A 65 0.389 -50.756 42.744 1.00 0.00 C ATOM 1040 O THR A 65 0.781 -51.925 42.682 1.00 0.00 O ATOM 1041 CB THR A 65 1.643 -49.143 44.236 1.00 0.00 C ATOM 1042 OG1 THR A 65 2.415 -47.934 44.235 1.00 0.00 O ATOM 1043 CG2 THR A 65 2.390 -50.218 45.013 1.00 0.00 C ATOM 0 H THR A 65 0.779 -47.593 42.510 1.00 0.00 H new ATOM 0 HA THR A 65 2.324 -49.906 42.333 1.00 0.00 H new ATOM 0 HB THR A 65 0.681 -48.980 44.722 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.858 -47.191 43.922 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.557 -49.878 46.035 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.799 -51.134 45.027 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.350 -50.412 44.534 1.00 0.00 H new ATOM 1051 N MET A 66 -0.896 -50.433 42.785 1.00 0.00 N ATOM 1052 CA MET A 66 -1.948 -51.432 42.788 1.00 0.00 C ATOM 1053 C MET A 66 -2.211 -52.050 41.399 1.00 0.00 C ATOM 1054 O MET A 66 -2.549 -53.227 41.306 1.00 0.00 O ATOM 1055 CB MET A 66 -3.239 -50.842 43.358 1.00 0.00 C ATOM 1056 CG MET A 66 -3.139 -50.477 44.826 1.00 0.00 C ATOM 1057 SD MET A 66 -4.702 -49.910 45.523 1.00 0.00 S ATOM 1058 CE MET A 66 -4.910 -48.344 44.673 1.00 0.00 C ATOM 0 H MET A 66 -1.235 -49.472 42.817 1.00 0.00 H new ATOM 0 HA MET A 66 -1.599 -52.244 43.426 1.00 0.00 H new ATOM 0 HB2 MET A 66 -3.506 -49.952 42.788 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.048 -51.560 43.224 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.792 -51.345 45.387 1.00 0.00 H new ATOM 0 HG3 MET A 66 -2.389 -49.696 44.950 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.837 -47.872 45.001 1.00 0.00 H new ATOM 0 HE2 MET A 66 -4.069 -47.690 44.904 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.951 -48.516 43.598 1.00 0.00 H new ATOM 1068 N ILE A 67 -2.066 -51.261 40.328 1.00 0.00 N ATOM 1069 CA ILE A 67 -2.407 -51.749 38.972 1.00 0.00 C ATOM 1070 C ILE A 67 -1.186 -52.230 38.168 1.00 0.00 C ATOM 1071 O ILE A 67 -1.338 -52.886 37.138 1.00 0.00 O ATOM 1072 CB ILE A 67 -3.155 -50.661 38.150 1.00 0.00 C ATOM 1073 CG1 ILE A 67 -2.289 -49.411 37.981 1.00 0.00 C ATOM 1074 CG2 ILE A 67 -4.454 -50.314 38.813 1.00 0.00 C ATOM 1075 CD1 ILE A 67 -2.907 -48.350 37.093 1.00 0.00 C ATOM 0 H ILE A 67 -1.723 -50.301 40.363 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.058 -52.608 39.134 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.363 -51.063 37.158 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.095 -48.980 38.963 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.325 -49.703 37.564 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.969 -49.551 38.228 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.079 -51.205 38.878 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.260 -49.933 39.816 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.233 -47.496 37.023 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.076 -48.762 36.098 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.857 -48.028 37.518 1.00 0.00 H new ATOM 1087 N GLU A 68 0.008 -51.935 38.652 1.00 0.00 N ATOM 1088 CA GLU A 68 1.249 -52.258 37.928 1.00 0.00 C ATOM 1089 C GLU A 68 1.420 -53.763 37.661 1.00 0.00 C ATOM 1090 O GLU A 68 2.124 -54.151 36.733 1.00 0.00 O ATOM 1091 CB GLU A 68 2.468 -51.730 38.682 1.00 0.00 C ATOM 1092 CG GLU A 68 2.653 -52.346 40.053 1.00 0.00 C ATOM 1093 CD GLU A 68 3.933 -51.920 40.722 1.00 0.00 C ATOM 1094 OE1 GLU A 68 5.013 -52.277 40.223 1.00 0.00 O ATOM 1095 OE2 GLU A 68 3.872 -51.248 41.763 1.00 0.00 O ATOM 0 H GLU A 68 0.156 -51.470 39.548 1.00 0.00 H new ATOM 0 HA GLU A 68 1.170 -51.765 36.959 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.361 -51.918 38.086 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.377 -50.649 38.789 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.810 -52.070 40.686 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.641 -53.432 39.962 1.00 0.00 H new ATOM 1102 N ASN A 69 0.778 -54.597 38.470 1.00 0.00 N ATOM 1103 CA ASN A 69 0.916 -56.056 38.332 1.00 0.00 C ATOM 1104 C ASN A 69 0.340 -56.561 37.012 1.00 0.00 C ATOM 1105 O ASN A 69 0.823 -57.542 36.454 1.00 0.00 O ATOM 1106 CB ASN A 69 0.265 -56.804 39.515 1.00 0.00 C ATOM 1107 CG ASN A 69 -1.259 -56.837 39.461 1.00 0.00 C ATOM 1108 OD1 ASN A 69 -1.845 -57.790 38.948 1.00 0.00 O ATOM 1109 ND2 ASN A 69 -1.903 -55.808 39.991 1.00 0.00 N ATOM 0 H ASN A 69 0.160 -54.299 39.225 1.00 0.00 H new ATOM 0 HA ASN A 69 1.985 -56.266 38.338 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.640 -57.827 39.536 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.576 -56.331 40.447 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.923 -55.786 39.984 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.379 -55.038 40.407 1.00 0.00 H new ATOM 1116 N GLU A 70 -0.682 -55.887 36.513 1.00 0.00 N ATOM 1117 CA GLU A 70 -1.334 -56.313 35.279 1.00 0.00 C ATOM 1118 C GLU A 70 -1.421 -55.181 34.245 1.00 0.00 C ATOM 1119 O GLU A 70 -1.969 -55.359 33.151 1.00 0.00 O ATOM 1120 CB GLU A 70 -2.719 -56.876 35.597 1.00 0.00 C ATOM 1121 CG GLU A 70 -3.618 -55.915 36.361 1.00 0.00 C ATOM 1122 CD GLU A 70 -4.872 -56.586 36.878 1.00 0.00 C ATOM 1123 OE1 GLU A 70 -5.705 -57.023 36.056 1.00 0.00 O ATOM 1124 OE2 GLU A 70 -5.017 -56.708 38.118 1.00 0.00 O ATOM 0 H GLU A 70 -1.079 -55.048 36.937 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.723 -57.095 34.829 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.210 -57.153 34.664 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.603 -57.790 36.180 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.064 -55.492 37.199 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.895 -55.086 35.710 1.00 0.00 H new ATOM 1131 N ALA A 71 -0.852 -54.036 34.576 1.00 0.00 N ATOM 1132 CA ALA A 71 -0.870 -52.893 33.677 1.00 0.00 C ATOM 1133 C ALA A 71 0.523 -52.321 33.473 1.00 0.00 C ATOM 1134 O ALA A 71 1.407 -52.475 34.321 1.00 0.00 O ATOM 1135 CB ALA A 71 -1.813 -51.818 34.198 1.00 0.00 C ATOM 0 H ALA A 71 -0.371 -53.871 35.460 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.232 -53.241 32.710 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.813 -50.971 33.512 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.822 -52.224 34.273 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.480 -51.488 35.182 1.00 0.00 H new ATOM 1141 N ASN A 72 0.713 -51.687 32.337 1.00 0.00 N ATOM 1142 CA ASN A 72 1.970 -51.051 31.998 1.00 0.00 C ATOM 1143 C ASN A 72 1.768 -49.553 31.977 1.00 0.00 C ATOM 1144 O ASN A 72 0.674 -49.072 31.663 1.00 0.00 O ATOM 1145 CB ASN A 72 2.459 -51.500 30.622 1.00 0.00 C ATOM 1146 CG ASN A 72 2.663 -52.990 30.518 1.00 0.00 C ATOM 1147 OD1 ASN A 72 3.000 -53.651 31.494 1.00 0.00 O ATOM 1148 ND2 ASN A 72 2.469 -53.527 29.331 1.00 0.00 N ATOM 0 H ASN A 72 -0.004 -51.597 31.617 1.00 0.00 H new ATOM 0 HA ASN A 72 2.715 -51.333 32.742 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.738 -51.186 29.868 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.398 -50.995 30.395 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.599 -54.530 29.198 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.189 -52.940 28.545 1.00 0.00 H new ATOM 1155 N ARG A 73 2.797 -48.817 32.303 1.00 0.00 N ATOM 1156 CA ARG A 73 2.714 -47.396 32.345 1.00 0.00 C ATOM 1157 C ARG A 73 3.048 -46.792 30.982 1.00 0.00 C ATOM 1158 O ARG A 73 4.201 -46.801 30.549 1.00 0.00 O ATOM 1159 CB ARG A 73 3.627 -46.845 33.451 1.00 0.00 C ATOM 1160 CG ARG A 73 3.893 -45.372 33.339 1.00 0.00 C ATOM 1161 CD ARG A 73 4.593 -44.799 34.576 1.00 0.00 C ATOM 1162 NE ARG A 73 3.691 -44.677 35.736 1.00 0.00 N ATOM 1163 CZ ARG A 73 4.070 -44.210 36.943 1.00 0.00 C ATOM 1164 NH1 ARG A 73 5.351 -43.972 37.196 1.00 0.00 N ATOM 1165 NH2 ARG A 73 3.166 -44.004 37.897 1.00 0.00 N ATOM 0 H ARG A 73 3.713 -49.194 32.546 1.00 0.00 H new ATOM 0 HA ARG A 73 1.690 -47.109 32.582 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.172 -47.050 34.420 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.577 -47.379 33.425 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.509 -45.185 32.459 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.950 -44.848 33.185 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.434 -45.439 34.841 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.002 -43.818 34.335 1.00 0.00 H new ATOM 0 HE ARG A 73 2.719 -44.964 35.618 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.053 -44.142 36.476 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.633 -43.619 38.110 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.181 -44.199 37.717 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.458 -43.651 38.808 1.00 0.00 H new ATOM 1179 N ASP A 74 2.024 -46.308 30.298 1.00 0.00 N ATOM 1180 CA ASP A 74 2.198 -45.676 28.991 1.00 0.00 C ATOM 1181 C ASP A 74 2.769 -44.282 29.142 1.00 0.00 C ATOM 1182 O ASP A 74 3.652 -43.862 28.386 1.00 0.00 O ATOM 1183 CB ASP A 74 0.873 -45.627 28.229 1.00 0.00 C ATOM 1184 CG ASP A 74 1.035 -45.089 26.820 1.00 0.00 C ATOM 1185 OD1 ASP A 74 1.467 -45.855 25.933 1.00 0.00 O ATOM 1186 OD2 ASP A 74 0.730 -43.906 26.586 1.00 0.00 O ATOM 0 H ASP A 74 1.058 -46.339 30.624 1.00 0.00 H new ATOM 0 HA ASP A 74 2.902 -46.279 28.418 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.445 -46.628 28.185 1.00 0.00 H new ATOM 0 HB3 ASP A 74 0.166 -45.002 28.775 1.00 0.00 H new ATOM 1191 N LYS A 75 2.273 -43.568 30.136 1.00 0.00 N ATOM 1192 CA LYS A 75 2.720 -42.212 30.409 1.00 0.00 C ATOM 1193 C LYS A 75 2.900 -42.014 31.903 1.00 0.00 C ATOM 1194 O LYS A 75 2.203 -42.642 32.710 1.00 0.00 O ATOM 1195 CB LYS A 75 1.719 -41.185 29.861 1.00 0.00 C ATOM 1196 CG LYS A 75 2.168 -39.735 30.039 1.00 0.00 C ATOM 1197 CD LYS A 75 1.137 -38.762 29.504 1.00 0.00 C ATOM 1198 CE LYS A 75 1.590 -37.311 29.668 1.00 0.00 C ATOM 1199 NZ LYS A 75 0.577 -36.357 29.140 1.00 0.00 N ATOM 0 H LYS A 75 1.553 -43.908 30.774 1.00 0.00 H new ATOM 0 HA LYS A 75 3.677 -42.060 29.909 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.557 -41.378 28.801 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.760 -41.323 30.360 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.344 -39.535 31.096 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.116 -39.581 29.524 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.954 -38.969 28.450 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.192 -38.909 30.027 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.771 -37.103 30.722 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.536 -37.164 29.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.946 -35.387 29.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.372 -36.583 28.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.297 -36.433 29.699 1.00 0.00 H new ATOM 1213 N GLU A 76 3.823 -41.145 32.268 1.00 0.00 N ATOM 1214 CA GLU A 76 4.102 -40.862 33.668 1.00 0.00 C ATOM 1215 C GLU A 76 3.141 -39.797 34.171 1.00 0.00 C ATOM 1216 O GLU A 76 2.624 -39.010 33.373 1.00 0.00 O ATOM 1217 CB GLU A 76 5.538 -40.359 33.834 1.00 0.00 C ATOM 1218 CG GLU A 76 6.601 -41.305 33.317 1.00 0.00 C ATOM 1219 CD GLU A 76 8.001 -40.815 33.632 1.00 0.00 C ATOM 1220 OE1 GLU A 76 8.489 -39.898 32.933 1.00 0.00 O ATOM 1221 OE2 GLU A 76 8.623 -41.347 34.584 1.00 0.00 O ATOM 0 H GLU A 76 4.398 -40.618 31.611 1.00 0.00 H new ATOM 0 HA GLU A 76 3.976 -41.780 34.243 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.637 -39.405 33.317 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.723 -40.169 34.891 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.454 -42.291 33.758 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.491 -41.419 32.239 1.00 0.00 H new ATOM 1228 N PRO A 77 2.872 -39.757 35.487 1.00 0.00 N ATOM 1229 CA PRO A 77 2.016 -38.733 36.062 1.00 0.00 C ATOM 1230 C PRO A 77 2.627 -37.350 35.885 1.00 0.00 C ATOM 1231 O PRO A 77 3.697 -37.043 36.429 1.00 0.00 O ATOM 1232 CB PRO A 77 1.938 -39.096 37.541 1.00 0.00 C ATOM 1233 CG PRO A 77 3.136 -39.955 37.785 1.00 0.00 C ATOM 1234 CD PRO A 77 3.377 -40.693 36.504 1.00 0.00 C ATOM 0 HA PRO A 77 1.037 -38.697 35.585 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.955 -38.205 38.169 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.015 -39.629 37.770 1.00 0.00 H new ATOM 0 HG2 PRO A 77 4.002 -39.351 38.057 1.00 0.00 H new ATOM 0 HG3 PRO A 77 2.959 -40.648 38.608 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.434 -40.916 36.359 1.00 0.00 H new ATOM 0 HD3 PRO A 77 2.844 -41.644 36.479 1.00 0.00 H new ATOM 1242 N ASN A 78 1.961 -36.535 35.128 1.00 0.00 N ATOM 1243 CA ASN A 78 2.447 -35.205 34.827 1.00 0.00 C ATOM 1244 C ASN A 78 1.328 -34.201 34.937 1.00 0.00 C ATOM 1245 O ASN A 78 0.174 -34.504 34.614 1.00 0.00 O ATOM 1246 CB ASN A 78 3.057 -35.161 33.412 1.00 0.00 C ATOM 1247 CG ASN A 78 3.620 -33.791 33.048 1.00 0.00 C ATOM 1248 OD1 ASN A 78 4.119 -33.058 33.905 1.00 0.00 O ATOM 1249 ND2 ASN A 78 3.530 -33.435 31.777 1.00 0.00 N ATOM 0 H ASN A 78 1.065 -36.763 34.697 1.00 0.00 H new ATOM 0 HA ASN A 78 3.222 -34.951 35.550 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.851 -35.904 33.341 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.294 -35.439 32.685 1.00 0.00 H new ATOM 0 HD21 ASN A 78 3.880 -32.526 31.476 1.00 0.00 H new ATOM 0 HD22 ASN A 78 3.110 -34.070 31.098 1.00 0.00 H new ATOM 1256 N PHE A 79 1.661 -33.015 35.402 1.00 0.00 N ATOM 1257 CA PHE A 79 0.701 -31.951 35.505 1.00 0.00 C ATOM 1258 C PHE A 79 0.564 -31.290 34.145 1.00 0.00 C ATOM 1259 O PHE A 79 1.480 -30.616 33.671 1.00 0.00 O ATOM 1260 CB PHE A 79 1.151 -30.935 36.560 1.00 0.00 C ATOM 1261 CG PHE A 79 0.235 -29.752 36.711 1.00 0.00 C ATOM 1262 CD1 PHE A 79 -0.940 -29.861 37.435 1.00 0.00 C ATOM 1263 CD2 PHE A 79 0.561 -28.527 36.146 1.00 0.00 C ATOM 1264 CE1 PHE A 79 -1.777 -28.774 37.595 1.00 0.00 C ATOM 1265 CE2 PHE A 79 -0.269 -27.437 36.296 1.00 0.00 C ATOM 1266 CZ PHE A 79 -1.442 -27.559 37.023 1.00 0.00 C ATOM 0 H PHE A 79 2.600 -32.768 35.716 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.266 -32.348 35.814 1.00 0.00 H new ATOM 0 HB2 PHE A 79 1.234 -31.441 37.522 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.148 -30.577 36.301 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.206 -30.808 37.880 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.476 -28.427 35.582 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.690 -28.872 38.164 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -0.006 -26.490 35.848 1.00 0.00 H new ATOM 0 HZ PHE A 79 -2.094 -26.707 37.143 1.00 0.00 H new ATOM 1276 N GLU A 80 -0.569 -31.496 33.524 1.00 0.00 N ATOM 1277 CA GLU A 80 -0.810 -31.002 32.189 1.00 0.00 C ATOM 1278 C GLU A 80 -2.285 -30.682 32.017 1.00 0.00 C ATOM 1279 O GLU A 80 -3.146 -31.540 32.235 1.00 0.00 O ATOM 1280 CB GLU A 80 -0.367 -32.061 31.175 1.00 0.00 C ATOM 1281 CG GLU A 80 -0.498 -31.647 29.723 1.00 0.00 C ATOM 1282 CD GLU A 80 -0.041 -32.734 28.764 1.00 0.00 C ATOM 1283 OE1 GLU A 80 0.743 -33.630 29.179 1.00 0.00 O ATOM 1284 OE2 GLU A 80 -0.462 -32.702 27.587 1.00 0.00 O ATOM 0 H GLU A 80 -1.352 -32.011 33.928 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.239 -30.089 32.023 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.674 -32.319 31.372 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.955 -32.965 31.335 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.537 -31.395 29.513 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.090 -30.745 29.551 1.00 0.00 H new ATOM 1291 N GLY A 81 -2.578 -29.444 31.647 1.00 0.00 N ATOM 1292 CA GLY A 81 -3.951 -29.035 31.459 1.00 0.00 C ATOM 1293 C GLY A 81 -4.671 -28.821 32.771 1.00 0.00 C ATOM 1294 O GLY A 81 -5.886 -28.997 32.845 1.00 0.00 O ATOM 0 H GLY A 81 -1.886 -28.715 31.474 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.977 -28.113 30.878 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.477 -29.792 30.878 1.00 0.00 H new ATOM 1298 N ARG A 82 -3.905 -28.446 33.817 1.00 0.00 N ATOM 1299 CA ARG A 82 -4.440 -28.223 35.179 1.00 0.00 C ATOM 1300 C ARG A 82 -4.813 -29.543 35.853 1.00 0.00 C ATOM 1301 O ARG A 82 -5.318 -29.564 36.977 1.00 0.00 O ATOM 1302 CB ARG A 82 -5.630 -27.276 35.143 1.00 0.00 C ATOM 1303 CG ARG A 82 -5.262 -25.879 34.676 1.00 0.00 C ATOM 1304 CD ARG A 82 -6.487 -25.041 34.431 1.00 0.00 C ATOM 1305 NE ARG A 82 -7.243 -25.531 33.276 1.00 0.00 N ATOM 1306 CZ ARG A 82 -8.325 -24.935 32.766 1.00 0.00 C ATOM 1307 NH1 ARG A 82 -8.768 -23.795 33.288 1.00 0.00 N ATOM 1308 NH2 ARG A 82 -8.958 -25.474 31.732 1.00 0.00 N ATOM 0 H ARG A 82 -2.900 -28.289 33.743 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.653 -27.759 35.774 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -6.393 -27.685 34.481 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -6.070 -27.216 36.138 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.634 -25.397 35.425 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -4.674 -25.943 33.760 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -7.122 -25.054 35.317 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.194 -24.004 34.264 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.920 -26.389 32.829 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -8.282 -23.374 34.079 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.594 -23.342 32.897 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.619 -26.345 31.324 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.784 -25.017 31.345 1.00 0.00 H new ATOM 1322 N TYR A 83 -4.546 -30.630 35.166 1.00 0.00 N ATOM 1323 CA TYR A 83 -4.801 -31.955 35.676 1.00 0.00 C ATOM 1324 C TYR A 83 -3.510 -32.741 35.747 1.00 0.00 C ATOM 1325 O TYR A 83 -2.627 -32.568 34.911 1.00 0.00 O ATOM 1326 CB TYR A 83 -5.773 -32.712 34.762 1.00 0.00 C ATOM 1327 CG TYR A 83 -7.215 -32.274 34.835 1.00 0.00 C ATOM 1328 CD1 TYR A 83 -7.670 -31.148 34.163 1.00 0.00 C ATOM 1329 CD2 TYR A 83 -8.132 -33.010 35.569 1.00 0.00 C ATOM 1330 CE1 TYR A 83 -8.998 -30.769 34.229 1.00 0.00 C ATOM 1331 CE2 TYR A 83 -9.448 -32.643 35.638 1.00 0.00 C ATOM 1332 CZ TYR A 83 -9.880 -31.527 34.971 1.00 0.00 C ATOM 1333 OH TYR A 83 -11.205 -31.165 35.049 1.00 0.00 O ATOM 0 H TYR A 83 -4.142 -30.618 34.229 1.00 0.00 H new ATOM 0 HA TYR A 83 -5.237 -31.851 36.669 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.432 -32.606 33.732 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.722 -33.773 35.007 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.977 -30.560 33.580 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -7.801 -33.892 36.097 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.341 -29.889 33.705 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -10.145 -33.231 36.217 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.468 -30.705 34.224 1.00 0.00 H new ATOM 1343 N VAL A 84 -3.394 -33.582 36.735 1.00 0.00 N ATOM 1344 CA VAL A 84 -2.275 -34.488 36.813 1.00 0.00 C ATOM 1345 C VAL A 84 -2.735 -35.794 36.201 1.00 0.00 C ATOM 1346 O VAL A 84 -3.627 -36.457 36.732 1.00 0.00 O ATOM 1347 CB VAL A 84 -1.804 -34.702 38.273 1.00 0.00 C ATOM 1348 CG1 VAL A 84 -0.658 -35.695 38.342 1.00 0.00 C ATOM 1349 CG2 VAL A 84 -1.384 -33.380 38.895 1.00 0.00 C ATOM 0 H VAL A 84 -4.061 -33.662 37.502 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.419 -34.077 36.279 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.643 -35.110 38.836 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.350 -35.824 39.380 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.983 -36.654 37.938 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.183 -35.321 37.758 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.056 -33.548 39.921 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.565 -32.950 38.318 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.229 -32.692 38.893 1.00 0.00 H new ATOM 1359 N ASN A 85 -2.173 -36.138 35.071 1.00 0.00 N ATOM 1360 CA ASN A 85 -2.654 -37.279 34.322 1.00 0.00 C ATOM 1361 C ASN A 85 -1.623 -38.378 34.205 1.00 0.00 C ATOM 1362 O ASN A 85 -0.418 -38.129 34.198 1.00 0.00 O ATOM 1363 CB ASN A 85 -3.131 -36.850 32.921 1.00 0.00 C ATOM 1364 CG ASN A 85 -2.018 -36.274 32.052 1.00 0.00 C ATOM 1365 OD1 ASN A 85 -1.322 -37.004 31.343 1.00 0.00 O ATOM 1366 ND2 ASN A 85 -1.853 -34.963 32.090 1.00 0.00 N ATOM 0 H ASN A 85 -1.385 -35.649 34.647 1.00 0.00 H new ATOM 0 HA ASN A 85 -3.496 -37.685 34.882 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -3.568 -37.711 32.415 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.921 -36.107 33.026 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -1.130 -34.523 31.520 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -2.448 -34.391 32.689 1.00 0.00 H new ATOM 1373 N MET A 86 -2.123 -39.592 34.142 1.00 0.00 N ATOM 1374 CA MET A 86 -1.317 -40.776 33.941 1.00 0.00 C ATOM 1375 C MET A 86 -2.080 -41.724 33.032 1.00 0.00 C ATOM 1376 O MET A 86 -3.293 -41.897 33.190 1.00 0.00 O ATOM 1377 CB MET A 86 -0.997 -41.467 35.275 1.00 0.00 C ATOM 1378 CG MET A 86 -0.127 -42.712 35.131 1.00 0.00 C ATOM 1379 SD MET A 86 0.246 -43.502 36.712 1.00 0.00 S ATOM 1380 CE MET A 86 -1.381 -44.079 37.205 1.00 0.00 C ATOM 0 H MET A 86 -3.120 -39.788 34.231 1.00 0.00 H new ATOM 0 HA MET A 86 -0.369 -40.491 33.485 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.492 -40.756 35.930 1.00 0.00 H new ATOM 0 HB3 MET A 86 -1.931 -41.743 35.764 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.633 -43.429 34.484 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.806 -42.441 34.638 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.280 -44.819 37.999 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.971 -43.237 37.567 1.00 0.00 H new ATOM 0 HE3 MET A 86 -1.881 -44.532 36.349 1.00 0.00 H new ATOM 1390 N LEU A 87 -1.397 -42.311 32.082 1.00 0.00 N ATOM 1391 CA LEU A 87 -2.035 -43.228 31.166 1.00 0.00 C ATOM 1392 C LEU A 87 -1.420 -44.602 31.276 1.00 0.00 C ATOM 1393 O LEU A 87 -0.200 -44.742 31.420 1.00 0.00 O ATOM 1394 CB LEU A 87 -1.944 -42.716 29.735 1.00 0.00 C ATOM 1395 CG LEU A 87 -2.677 -43.548 28.677 1.00 0.00 C ATOM 1396 CD1 LEU A 87 -4.156 -43.652 28.989 1.00 0.00 C ATOM 1397 CD2 LEU A 87 -2.486 -42.938 27.323 1.00 0.00 C ATOM 0 H LEU A 87 -0.399 -42.172 31.921 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.089 -43.298 31.436 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.339 -41.700 29.708 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.892 -42.657 29.457 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.255 -44.553 28.686 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.649 -44.248 28.221 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.290 -44.129 29.960 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.594 -42.654 29.011 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.010 -43.536 26.577 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.885 -41.924 27.321 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.423 -42.910 27.083 1.00 0.00 H new ATOM 1409 N VAL A 88 -2.256 -45.614 31.213 1.00 0.00 N ATOM 1410 CA VAL A 88 -1.803 -46.980 31.354 1.00 0.00 C ATOM 1411 C VAL A 88 -2.336 -47.853 30.236 1.00 0.00 C ATOM 1412 O VAL A 88 -3.289 -47.493 29.548 1.00 0.00 O ATOM 1413 CB VAL A 88 -2.210 -47.590 32.717 1.00 0.00 C ATOM 1414 CG1 VAL A 88 -1.562 -46.820 33.860 1.00 0.00 C ATOM 1415 CG2 VAL A 88 -3.726 -47.599 32.872 1.00 0.00 C ATOM 0 H VAL A 88 -3.260 -45.516 31.064 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.715 -46.950 31.301 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.857 -48.621 32.750 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.859 -47.262 34.811 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.477 -46.866 33.761 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.885 -45.780 33.827 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.991 -48.032 33.837 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.103 -46.578 32.817 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.170 -48.194 32.074 1.00 0.00 H new ATOM 1425 N THR A 89 -1.704 -48.985 30.056 1.00 0.00 N ATOM 1426 CA THR A 89 -2.073 -49.938 29.038 1.00 0.00 C ATOM 1427 C THR A 89 -2.020 -51.339 29.629 1.00 0.00 C ATOM 1428 O THR A 89 -1.120 -51.644 30.394 1.00 0.00 O ATOM 1429 CB THR A 89 -1.087 -49.849 27.861 1.00 0.00 C ATOM 1430 OG1 THR A 89 -0.930 -48.480 27.465 1.00 0.00 O ATOM 1431 CG2 THR A 89 -1.556 -50.661 26.668 1.00 0.00 C ATOM 0 H THR A 89 -0.906 -49.276 30.621 1.00 0.00 H new ATOM 0 HA THR A 89 -3.080 -49.719 28.683 1.00 0.00 H new ATOM 0 HB THR A 89 -0.135 -50.259 28.198 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.300 -48.426 26.716 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.831 -50.571 25.859 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.651 -51.708 26.955 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.523 -50.288 26.332 1.00 0.00 H new ATOM 1439 N PRO A 90 -2.983 -52.197 29.309 1.00 0.00 N ATOM 1440 CA PRO A 90 -3.008 -53.568 29.819 1.00 0.00 C ATOM 1441 C PRO A 90 -1.857 -54.377 29.214 1.00 0.00 C ATOM 1442 O PRO A 90 -1.499 -54.178 28.048 1.00 0.00 O ATOM 1443 CB PRO A 90 -4.381 -54.064 29.339 1.00 0.00 C ATOM 1444 CG PRO A 90 -4.591 -53.311 28.078 1.00 0.00 C ATOM 1445 CD PRO A 90 -4.103 -51.937 28.386 1.00 0.00 C ATOM 0 HA PRO A 90 -2.881 -53.656 30.898 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.384 -55.141 29.170 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.163 -53.854 30.069 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.035 -53.755 27.252 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.642 -53.305 27.788 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.776 -51.412 27.489 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.877 -51.325 28.849 1.00 0.00 H new ATOM 1453 N LYS A 91 -1.259 -55.260 30.004 1.00 0.00 N ATOM 1454 CA LYS A 91 -0.127 -56.041 29.530 1.00 0.00 C ATOM 1455 C LYS A 91 -0.556 -56.979 28.393 1.00 0.00 C ATOM 1456 O LYS A 91 -1.468 -57.792 28.570 1.00 0.00 O ATOM 1457 CB LYS A 91 0.477 -56.860 30.678 1.00 0.00 C ATOM 1458 CG LYS A 91 1.094 -56.019 31.785 1.00 0.00 C ATOM 1459 CD LYS A 91 1.667 -56.884 32.897 1.00 0.00 C ATOM 1460 CE LYS A 91 2.241 -56.039 34.026 1.00 0.00 C ATOM 1461 NZ LYS A 91 3.426 -55.255 33.600 1.00 0.00 N ATOM 0 H LYS A 91 -1.537 -55.451 30.967 1.00 0.00 H new ATOM 0 HA LYS A 91 0.627 -55.351 29.151 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.301 -57.492 31.107 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.240 -57.525 30.273 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.883 -55.392 31.369 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.339 -55.350 32.197 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.887 -57.536 33.290 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.447 -57.529 32.492 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.472 -55.359 34.394 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.518 -56.688 34.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.890 -54.846 34.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.094 -55.878 33.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.126 -54.491 32.962 1.00 0.00 H new ATOM 1475 N LYS A 92 0.122 -56.859 27.242 1.00 0.00 N ATOM 1476 CA LYS A 92 -0.164 -57.676 26.051 1.00 0.00 C ATOM 1477 C LYS A 92 -1.599 -57.451 25.546 1.00 0.00 C ATOM 1478 O LYS A 92 -2.505 -58.236 25.835 1.00 0.00 O ATOM 1479 CB LYS A 92 0.077 -59.167 26.334 1.00 0.00 C ATOM 1480 CG LYS A 92 1.516 -59.505 26.686 1.00 0.00 C ATOM 1481 CD LYS A 92 1.672 -60.978 27.047 1.00 0.00 C ATOM 1482 CE LYS A 92 1.435 -61.880 25.848 1.00 0.00 C ATOM 1483 NZ LYS A 92 1.604 -63.315 26.193 1.00 0.00 N ATOM 0 H LYS A 92 0.884 -56.194 27.110 1.00 0.00 H new ATOM 0 HA LYS A 92 0.523 -57.358 25.267 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.570 -59.480 27.154 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -0.217 -59.745 25.458 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.164 -59.265 25.843 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.841 -58.888 27.523 1.00 0.00 H new ATOM 0 HD2 LYS A 92 2.674 -61.152 27.440 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.969 -61.235 27.840 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.429 -61.715 25.463 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.129 -61.614 25.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.434 -63.897 25.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 2.572 -63.478 26.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.925 -63.576 26.936 1.00 0.00 H new ATOM 1497 N ALA A 93 -1.792 -56.363 24.809 1.00 0.00 N ATOM 1498 CA ALA A 93 -3.111 -56.009 24.285 1.00 0.00 C ATOM 1499 C ALA A 93 -3.392 -56.657 22.925 1.00 0.00 C ATOM 1500 O ALA A 93 -4.499 -57.137 22.674 1.00 0.00 O ATOM 1501 CB ALA A 93 -3.250 -54.496 24.189 1.00 0.00 C ATOM 0 H ALA A 93 -1.051 -55.708 24.559 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.851 -56.397 24.984 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.236 -54.245 23.798 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -3.130 -54.056 25.179 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.484 -54.102 23.521 1.00 0.00 H new ATOM 1507 N GLU A 94 -2.386 -56.668 22.049 1.00 0.00 N ATOM 1508 CA GLU A 94 -2.548 -57.224 20.699 1.00 0.00 C ATOM 1509 C GLU A 94 -2.779 -58.720 20.752 1.00 0.00 C ATOM 1510 O GLU A 94 -3.653 -59.256 20.056 1.00 0.00 O ATOM 1511 CB GLU A 94 -1.317 -56.950 19.838 1.00 0.00 C ATOM 1512 CG GLU A 94 -1.075 -55.497 19.515 1.00 0.00 C ATOM 1513 CD GLU A 94 0.181 -55.312 18.704 1.00 0.00 C ATOM 1514 OE1 GLU A 94 0.224 -55.796 17.552 1.00 0.00 O ATOM 1515 OE2 GLU A 94 1.150 -54.711 19.221 1.00 0.00 O ATOM 0 H GLU A 94 -1.455 -56.301 22.246 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.416 -56.736 20.256 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.439 -57.344 20.350 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.415 -57.503 18.904 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.927 -55.099 18.964 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.999 -54.926 20.440 1.00 0.00 H new ATOM 1522 N GLY A 95 -1.986 -59.395 21.571 1.00 0.00 N ATOM 1523 CA GLY A 95 -2.093 -60.830 21.680 1.00 0.00 C ATOM 1524 C GLY A 95 -1.726 -61.524 20.381 1.00 0.00 C ATOM 1525 O GLY A 95 -2.582 -62.131 19.733 1.00 0.00 O ATOM 0 H GLY A 95 -1.270 -58.971 22.162 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.440 -61.183 22.478 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -3.112 -61.098 21.960 1.00 0.00 H new ATOM 1529 N HIS A 96 -0.454 -61.421 19.988 1.00 0.00 N ATOM 1530 CA HIS A 96 0.016 -62.049 18.751 1.00 0.00 C ATOM 1531 C HIS A 96 -0.127 -63.552 18.854 1.00 0.00 C ATOM 1532 O HIS A 96 -0.430 -64.228 17.880 1.00 0.00 O ATOM 1533 CB HIS A 96 1.476 -61.673 18.439 1.00 0.00 C ATOM 1534 CG HIS A 96 1.670 -60.232 18.054 1.00 0.00 C ATOM 1535 ND1 HIS A 96 2.906 -59.687 17.765 1.00 0.00 N ATOM 1536 CD2 HIS A 96 0.781 -59.219 17.926 1.00 0.00 C ATOM 1537 CE1 HIS A 96 2.760 -58.404 17.479 1.00 0.00 C ATOM 1538 NE2 HIS A 96 1.486 -58.102 17.570 1.00 0.00 N ATOM 0 H HIS A 96 0.264 -60.913 20.504 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.600 -61.679 17.931 1.00 0.00 H new ATOM 0 HB2 HIS A 96 2.091 -61.890 19.313 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.838 -62.306 17.629 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -0.287 -59.281 18.077 1.00 0.00 H new ATOM 0 HE1 HIS A 96 3.554 -57.721 17.215 1.00 0.00 H new ATOM 0 HE2 HIS A 96 1.085 -57.179 17.402 1.00 0.00 H new ATOM 1546 N HIS A 97 0.102 -64.063 20.036 1.00 0.00 N ATOM 1547 CA HIS A 97 -0.080 -65.473 20.306 1.00 0.00 C ATOM 1548 C HIS A 97 -1.287 -65.644 21.198 1.00 0.00 C ATOM 1549 O HIS A 97 -1.403 -64.979 22.233 1.00 0.00 O ATOM 1550 CB HIS A 97 1.159 -66.067 20.986 1.00 0.00 C ATOM 1551 CG HIS A 97 2.402 -65.966 20.161 1.00 0.00 C ATOM 1552 ND1 HIS A 97 3.450 -65.131 20.479 1.00 0.00 N ATOM 1553 CD2 HIS A 97 2.761 -66.593 19.020 1.00 0.00 C ATOM 1554 CE1 HIS A 97 4.397 -65.250 19.569 1.00 0.00 C ATOM 1555 NE2 HIS A 97 4.005 -66.129 18.674 1.00 0.00 N ATOM 0 H HIS A 97 0.419 -63.519 20.839 1.00 0.00 H new ATOM 0 HA HIS A 97 -0.230 -66.000 19.364 1.00 0.00 H new ATOM 0 HB2 HIS A 97 1.321 -65.557 21.936 1.00 0.00 H new ATOM 0 HB3 HIS A 97 0.970 -67.116 21.215 1.00 0.00 H new ATOM 0 HD2 HIS A 97 2.177 -67.324 18.480 1.00 0.00 H new ATOM 0 HE1 HIS A 97 5.336 -64.716 19.561 1.00 0.00 H new ATOM 0 HE2 HIS A 97 4.539 -66.419 17.855 1.00 0.00 H new ATOM 1563 N HIS A 98 -2.190 -66.515 20.809 1.00 0.00 N ATOM 1564 CA HIS A 98 -3.400 -66.723 21.575 1.00 0.00 C ATOM 1565 C HIS A 98 -3.109 -67.565 22.802 1.00 0.00 C ATOM 1566 O HIS A 98 -2.861 -68.765 22.699 1.00 0.00 O ATOM 1567 CB HIS A 98 -4.485 -67.377 20.712 1.00 0.00 C ATOM 1568 CG HIS A 98 -5.794 -67.558 21.421 1.00 0.00 C ATOM 1569 ND1 HIS A 98 -6.554 -66.501 21.872 1.00 0.00 N ATOM 1570 CD2 HIS A 98 -6.470 -68.675 21.767 1.00 0.00 C ATOM 1571 CE1 HIS A 98 -7.640 -66.963 22.467 1.00 0.00 C ATOM 1572 NE2 HIS A 98 -7.611 -68.276 22.415 1.00 0.00 N ATOM 0 H HIS A 98 -2.111 -67.090 19.970 1.00 0.00 H new ATOM 0 HA HIS A 98 -3.771 -65.752 21.903 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -4.645 -66.768 19.823 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -4.129 -68.349 20.372 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -6.168 -69.693 21.570 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -8.418 -66.365 22.918 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -8.323 -68.899 22.796 1.00 0.00 H new ATOM 1580 N HIS A 99 -3.130 -66.927 23.956 1.00 0.00 N ATOM 1581 CA HIS A 99 -2.863 -67.609 25.207 1.00 0.00 C ATOM 1582 C HIS A 99 -3.981 -68.598 25.528 1.00 0.00 C ATOM 1583 O HIS A 99 -5.134 -68.220 25.690 1.00 0.00 O ATOM 1584 CB HIS A 99 -2.660 -66.599 26.363 1.00 0.00 C ATOM 1585 CG HIS A 99 -3.878 -65.783 26.724 1.00 0.00 C ATOM 1586 ND1 HIS A 99 -4.535 -65.906 27.927 1.00 0.00 N ATOM 1587 CD2 HIS A 99 -4.545 -64.821 26.038 1.00 0.00 C ATOM 1588 CE1 HIS A 99 -5.549 -65.063 27.965 1.00 0.00 C ATOM 1589 NE2 HIS A 99 -5.577 -64.393 26.833 1.00 0.00 N ATOM 0 H HIS A 99 -3.330 -65.932 24.053 1.00 0.00 H new ATOM 0 HA HIS A 99 -1.935 -68.170 25.096 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -2.333 -67.145 27.248 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -1.853 -65.918 26.092 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -4.307 -64.459 25.049 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -6.240 -64.943 28.787 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -6.256 -63.673 26.587 1.00 0.00 H new ATOM 1597 N HIS A 100 -3.629 -69.866 25.577 1.00 0.00 N ATOM 1598 CA HIS A 100 -4.590 -70.922 25.873 1.00 0.00 C ATOM 1599 C HIS A 100 -4.572 -71.249 27.352 1.00 0.00 C ATOM 1600 O HIS A 100 -5.491 -71.881 27.865 1.00 0.00 O ATOM 1601 CB HIS A 100 -4.266 -72.182 25.051 1.00 0.00 C ATOM 1602 CG HIS A 100 -2.962 -72.838 25.422 1.00 0.00 C ATOM 1603 ND1 HIS A 100 -1.734 -72.298 25.103 1.00 0.00 N ATOM 1604 CD2 HIS A 100 -2.703 -73.983 26.094 1.00 0.00 C ATOM 1605 CE1 HIS A 100 -0.776 -73.084 25.564 1.00 0.00 C ATOM 1606 NE2 HIS A 100 -1.338 -74.110 26.169 1.00 0.00 N ATOM 0 H HIS A 100 -2.678 -70.198 25.415 1.00 0.00 H new ATOM 0 HA HIS A 100 -5.586 -70.571 25.603 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -5.073 -72.904 25.178 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -4.240 -71.917 23.994 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -3.434 -74.669 26.496 1.00 0.00 H new ATOM 0 HE1 HIS A 100 0.286 -72.914 25.462 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -0.839 -74.876 26.621 1.00 0.00 H new ATOM 1614 N HIS A 101 -3.509 -70.798 28.019 1.00 0.00 N ATOM 1615 CA HIS A 101 -3.288 -71.051 29.440 1.00 0.00 C ATOM 1616 C HIS A 101 -3.319 -72.554 29.722 1.00 0.00 C ATOM 1617 O HIS A 101 -4.347 -73.053 30.220 1.00 0.00 O ATOM 1618 CB HIS A 101 -4.320 -70.299 30.307 1.00 0.00 C ATOM 1619 CG HIS A 101 -4.019 -70.337 31.785 1.00 0.00 C ATOM 1620 ND1 HIS A 101 -3.164 -69.447 32.400 1.00 0.00 N ATOM 1621 CD2 HIS A 101 -4.455 -71.166 32.767 1.00 0.00 C ATOM 1622 CE1 HIS A 101 -3.082 -69.729 33.689 1.00 0.00 C ATOM 1623 NE2 HIS A 101 -3.855 -70.763 33.939 1.00 0.00 N ATOM 1624 OXT HIS A 101 -2.317 -73.238 29.412 1.00 0.00 O ATOM 0 H HIS A 101 -2.773 -70.243 27.583 1.00 0.00 H new ATOM 0 HA HIS A 101 -2.301 -70.673 29.707 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -4.365 -69.260 29.982 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -5.307 -70.729 30.136 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -5.145 -71.989 32.651 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -2.482 -69.200 34.414 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -3.988 -71.196 34.853 1.00 0.00 H new TER 1632 HIS A 101