USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 462 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 32 TYR OH : rot 65:sc= -2.42! USER MOD Set 1.2: A 65 HIS : no HD1:sc= -3.43! C(o=-5.9!,f=-17!) USER MOD Set 2.1: A 20 TYR OH : rot 23:sc= 0.839 USER MOD Set 2.2: A 62 ASN : amide:sc= 1.46 K(o=2.3,f=0.72) USER MOD Set 3.1: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 11 ASN : amide:sc= -1.15 K(o=-1.2,f=-5.1!) USER MOD Set 4.1: A 6 SER OG : rot 150:sc= -0.544 USER MOD Set 4.2: A 48 MET CE :methyl -138:sc= -1.66 (180deg=-0.466) USER MOD Set 5.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 64 SER OG : rot -47:sc= 0.12 USER MOD Single : A 1 MET CE :methyl 155:sc= -1.43 (180deg=-3.17) USER MOD Single : A 1 MET N :NH3+ -130:sc= -0.768 (180deg=-1.04) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 102:sc= -0.541! USER MOD Single : A 25 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.34) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0518 USER MOD Single : A 36 TYR OH : rot 119:sc= -0.156 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -4.27! C(o=-4.3!,f=-20!) USER MOD Single : A 51 LYS NZ :NH3+ -161:sc= -0.0306 (180deg=-0.413) USER MOD Single : A 54 GLN : amide:sc= -0.0204 K(o=-0.02,f=-1.4!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.272 -0.514 -0.494 1.00 0.00 N ATOM 2 CA MET A 1 3.828 -0.895 -1.823 1.00 0.00 C ATOM 3 C MET A 1 3.867 -2.415 -1.938 1.00 0.00 C ATOM 4 O MET A 1 4.897 -3.041 -1.686 1.00 0.00 O ATOM 5 CB MET A 1 5.241 -0.324 -1.964 1.00 0.00 C ATOM 6 CG MET A 1 5.186 1.202 -1.879 1.00 0.00 C ATOM 7 SD MET A 1 4.157 1.846 -3.222 1.00 0.00 S ATOM 8 CE MET A 1 2.653 2.107 -2.251 1.00 0.00 C ATOM 0 H1 MET A 1 2.516 0.188 -0.622 1.00 0.00 H new ATOM 0 H2 MET A 1 2.885 -1.358 -0.025 1.00 0.00 H new ATOM 0 H3 MET A 1 4.027 -0.106 0.094 1.00 0.00 H new ATOM 0 HA MET A 1 3.198 -0.492 -2.616 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.884 -0.720 -1.178 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.675 -0.630 -2.916 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.779 1.509 -0.916 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.192 1.617 -1.946 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.045 2.880 -2.722 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.085 1.178 -2.203 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.921 2.421 -1.242 1.00 0.00 H new ATOM 16 N THR A 2 2.739 -3.003 -2.324 1.00 0.00 N ATOM 17 CA THR A 2 2.652 -4.451 -2.472 1.00 0.00 C ATOM 18 C THR A 2 2.403 -4.821 -3.931 1.00 0.00 C ATOM 19 O THR A 2 1.518 -4.262 -4.579 1.00 0.00 O ATOM 20 CB THR A 2 1.519 -5.001 -1.603 1.00 0.00 C ATOM 21 OG1 THR A 2 1.774 -4.685 -0.242 1.00 0.00 O ATOM 22 CG2 THR A 2 1.436 -6.519 -1.770 1.00 0.00 C ATOM 0 H THR A 2 1.877 -2.502 -2.539 1.00 0.00 H new ATOM 0 HA THR A 2 3.597 -4.889 -2.151 1.00 0.00 H new ATOM 0 HB THR A 2 0.574 -4.553 -1.910 1.00 0.00 H new ATOM 0 HG1 THR A 2 1.049 -5.035 0.316 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.629 -6.910 -1.151 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.241 -6.760 -2.815 1.00 0.00 H new ATOM 0 HG23 THR A 2 2.379 -6.971 -1.464 1.00 0.00 H new ATOM 30 N THR A 3 3.197 -5.754 -4.447 1.00 0.00 N ATOM 31 CA THR A 3 3.055 -6.174 -5.837 1.00 0.00 C ATOM 32 C THR A 3 2.939 -7.689 -5.939 1.00 0.00 C ATOM 33 O THR A 3 3.510 -8.427 -5.137 1.00 0.00 O ATOM 34 CB THR A 3 4.264 -5.701 -6.647 1.00 0.00 C ATOM 35 OG1 THR A 3 4.046 -5.977 -8.024 1.00 0.00 O ATOM 36 CG2 THR A 3 5.519 -6.434 -6.171 1.00 0.00 C ATOM 0 H THR A 3 3.937 -6.229 -3.931 1.00 0.00 H new ATOM 0 HA THR A 3 2.145 -5.728 -6.237 1.00 0.00 H new ATOM 0 HB THR A 3 4.398 -4.628 -6.507 1.00 0.00 H new ATOM 0 HG1 THR A 3 4.819 -5.673 -8.545 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.379 -6.096 -6.749 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.686 -6.222 -5.115 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.388 -7.507 -6.309 1.00 0.00 H new ATOM 44 N PHE A 4 2.184 -8.139 -6.935 1.00 0.00 N ATOM 45 CA PHE A 4 1.979 -9.565 -7.145 1.00 0.00 C ATOM 46 C PHE A 4 2.545 -9.992 -8.492 1.00 0.00 C ATOM 47 O PHE A 4 2.415 -9.276 -9.487 1.00 0.00 O ATOM 48 CB PHE A 4 0.484 -9.881 -7.098 1.00 0.00 C ATOM 49 CG PHE A 4 -0.065 -9.537 -5.733 1.00 0.00 C ATOM 50 CD1 PHE A 4 -0.614 -8.271 -5.498 1.00 0.00 C ATOM 51 CD2 PHE A 4 -0.028 -10.486 -4.705 1.00 0.00 C ATOM 52 CE1 PHE A 4 -1.124 -7.953 -4.233 1.00 0.00 C ATOM 53 CE2 PHE A 4 -0.538 -10.168 -3.440 1.00 0.00 C ATOM 54 CZ PHE A 4 -1.087 -8.902 -3.205 1.00 0.00 C ATOM 0 H PHE A 4 1.706 -7.539 -7.607 1.00 0.00 H new ATOM 0 HA PHE A 4 2.496 -10.112 -6.356 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.042 -9.314 -7.866 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.318 -10.937 -7.312 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.644 -7.540 -6.292 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.394 -11.463 -4.887 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.546 -6.976 -4.051 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.508 -10.899 -2.646 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.482 -8.657 -2.230 1.00 0.00 H new ATOM 64 N THR A 5 3.176 -11.159 -8.518 1.00 0.00 N ATOM 65 CA THR A 5 3.761 -11.665 -9.751 1.00 0.00 C ATOM 66 C THR A 5 3.311 -13.099 -10.017 1.00 0.00 C ATOM 67 O THR A 5 2.937 -13.825 -9.096 1.00 0.00 O ATOM 68 CB THR A 5 5.286 -11.615 -9.654 1.00 0.00 C ATOM 69 OG1 THR A 5 5.719 -12.449 -8.589 1.00 0.00 O ATOM 70 CG2 THR A 5 5.736 -10.177 -9.393 1.00 0.00 C ATOM 0 H THR A 5 3.295 -11.767 -7.708 1.00 0.00 H new ATOM 0 HA THR A 5 3.424 -11.038 -10.576 1.00 0.00 H new ATOM 0 HB THR A 5 5.721 -11.965 -10.590 1.00 0.00 H new ATOM 0 HG1 THR A 5 6.697 -12.419 -8.527 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.823 -10.143 -9.324 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.404 -9.538 -10.211 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.302 -9.824 -8.458 1.00 0.00 H new ATOM 78 N SER A 6 3.350 -13.495 -11.285 1.00 0.00 N ATOM 79 CA SER A 6 2.942 -14.844 -11.665 1.00 0.00 C ATOM 80 C SER A 6 3.549 -15.243 -13.006 1.00 0.00 C ATOM 81 O SER A 6 3.997 -14.395 -13.776 1.00 0.00 O ATOM 82 CB SER A 6 1.419 -14.921 -11.751 1.00 0.00 C ATOM 83 OG SER A 6 0.967 -14.098 -12.819 1.00 0.00 O ATOM 0 H SER A 6 3.657 -12.908 -12.061 1.00 0.00 H new ATOM 0 HA SER A 6 3.303 -15.535 -10.903 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.104 -15.952 -11.912 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.973 -14.595 -10.811 1.00 0.00 H new ATOM 0 HG SER A 6 0.142 -14.472 -13.194 1.00 0.00 H new ATOM 89 N ILE A 7 3.545 -16.544 -13.278 1.00 0.00 N ATOM 90 CA ILE A 7 4.080 -17.069 -14.528 1.00 0.00 C ATOM 91 C ILE A 7 3.321 -18.336 -14.906 1.00 0.00 C ATOM 92 O ILE A 7 2.686 -18.955 -14.053 1.00 0.00 O ATOM 93 CB ILE A 7 5.570 -17.383 -14.373 1.00 0.00 C ATOM 94 CG1 ILE A 7 6.393 -16.286 -15.052 1.00 0.00 C ATOM 95 CG2 ILE A 7 5.879 -18.729 -15.030 1.00 0.00 C ATOM 96 CD1 ILE A 7 6.893 -15.297 -13.997 1.00 0.00 C ATOM 0 H ILE A 7 3.176 -17.255 -12.647 1.00 0.00 H new ATOM 0 HA ILE A 7 3.960 -16.322 -15.313 1.00 0.00 H new ATOM 0 HB ILE A 7 5.824 -17.429 -13.314 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.237 -16.726 -15.583 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.786 -15.767 -15.794 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.940 -18.953 -14.920 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.291 -19.512 -14.550 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.626 -18.683 -16.089 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.479 -14.515 -14.480 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.041 -14.848 -13.486 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.515 -15.822 -13.272 1.00 0.00 H new ATOM 108 N VAL A 8 3.371 -18.722 -16.176 1.00 0.00 N ATOM 109 CA VAL A 8 2.660 -19.919 -16.603 1.00 0.00 C ATOM 110 C VAL A 8 3.567 -21.144 -16.551 1.00 0.00 C ATOM 111 O VAL A 8 4.417 -21.350 -17.418 1.00 0.00 O ATOM 112 CB VAL A 8 2.134 -19.734 -18.027 1.00 0.00 C ATOM 113 CG1 VAL A 8 1.408 -21.006 -18.470 1.00 0.00 C ATOM 114 CG2 VAL A 8 1.159 -18.555 -18.059 1.00 0.00 C ATOM 0 H VAL A 8 3.884 -18.236 -16.912 1.00 0.00 H new ATOM 0 HA VAL A 8 1.825 -20.077 -15.921 1.00 0.00 H new ATOM 0 HB VAL A 8 2.968 -19.537 -18.701 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.032 -20.876 -19.485 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.100 -21.848 -18.444 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.574 -21.202 -17.797 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.783 -18.421 -19.073 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.325 -18.754 -17.386 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.674 -17.648 -17.741 1.00 0.00 H new ATOM 124 N THR A 9 3.346 -21.964 -15.533 1.00 0.00 N ATOM 125 CA THR A 9 4.098 -23.198 -15.344 1.00 0.00 C ATOM 126 C THR A 9 3.229 -24.176 -14.570 1.00 0.00 C ATOM 127 O THR A 9 2.369 -23.748 -13.800 1.00 0.00 O ATOM 128 CB THR A 9 5.383 -22.927 -14.560 1.00 0.00 C ATOM 129 OG1 THR A 9 6.208 -24.083 -14.594 1.00 0.00 O ATOM 130 CG2 THR A 9 5.030 -22.598 -13.108 1.00 0.00 C ATOM 0 H THR A 9 2.641 -21.793 -14.815 1.00 0.00 H new ATOM 0 HA THR A 9 4.368 -23.612 -16.315 1.00 0.00 H new ATOM 0 HB THR A 9 5.914 -22.086 -15.007 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.033 -23.911 -14.093 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.944 -22.404 -12.546 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.393 -21.714 -13.080 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.502 -23.441 -12.662 1.00 0.00 H new ATOM 138 N THR A 10 3.437 -25.475 -14.737 1.00 0.00 N ATOM 139 CA THR A 10 2.618 -26.408 -13.980 1.00 0.00 C ATOM 140 C THR A 10 3.457 -27.496 -13.316 1.00 0.00 C ATOM 141 O THR A 10 3.747 -28.531 -13.915 1.00 0.00 O ATOM 142 CB THR A 10 1.606 -27.059 -14.923 1.00 0.00 C ATOM 143 OG1 THR A 10 1.308 -28.371 -14.464 1.00 0.00 O ATOM 144 CG2 THR A 10 2.195 -27.128 -16.334 1.00 0.00 C ATOM 0 H THR A 10 4.131 -25.891 -15.358 1.00 0.00 H new ATOM 0 HA THR A 10 2.112 -25.850 -13.192 1.00 0.00 H new ATOM 0 HB THR A 10 0.691 -26.467 -14.942 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.445 -28.367 -14.000 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.474 -27.592 -17.007 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.421 -26.121 -16.683 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.110 -27.720 -16.318 1.00 0.00 H new ATOM 152 N ASN A 11 3.835 -27.243 -12.066 1.00 0.00 N ATOM 153 CA ASN A 11 4.635 -28.196 -11.306 1.00 0.00 C ATOM 154 C ASN A 11 4.554 -27.900 -9.812 1.00 0.00 C ATOM 155 O ASN A 11 5.565 -27.922 -9.111 1.00 0.00 O ATOM 156 CB ASN A 11 6.094 -28.128 -11.762 1.00 0.00 C ATOM 157 CG ASN A 11 6.608 -26.698 -11.646 1.00 0.00 C ATOM 158 OD1 ASN A 11 6.179 -25.952 -10.765 1.00 0.00 O ATOM 159 ND2 ASN A 11 7.505 -26.267 -12.490 1.00 0.00 N ATOM 0 H ASN A 11 3.601 -26.389 -11.560 1.00 0.00 H new ATOM 0 HA ASN A 11 4.241 -29.196 -11.486 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.706 -28.794 -11.153 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.178 -28.471 -12.793 1.00 0.00 H new ATOM 0 HD21 ASN A 11 7.852 -25.310 -12.421 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.859 -26.887 -13.219 1.00 0.00 H new ATOM 166 N PRO A 12 3.379 -27.625 -9.320 1.00 0.00 N ATOM 167 CA PRO A 12 3.168 -27.317 -7.874 1.00 0.00 C ATOM 168 C PRO A 12 3.413 -28.534 -6.985 1.00 0.00 C ATOM 169 O PRO A 12 2.652 -29.501 -7.015 1.00 0.00 O ATOM 170 CB PRO A 12 1.702 -26.879 -7.806 1.00 0.00 C ATOM 171 CG PRO A 12 1.049 -27.487 -9.004 1.00 0.00 C ATOM 172 CD PRO A 12 2.126 -27.571 -10.084 1.00 0.00 C ATOM 0 HA PRO A 12 3.862 -26.558 -7.512 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.232 -27.224 -6.885 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.616 -25.793 -7.821 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.654 -28.476 -8.771 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.209 -26.879 -9.339 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.999 -28.455 -10.709 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.098 -26.706 -10.747 1.00 0.00 H new ATOM 180 N ASP A 13 4.479 -28.473 -6.194 1.00 0.00 N ATOM 181 CA ASP A 13 4.816 -29.570 -5.295 1.00 0.00 C ATOM 182 C ASP A 13 4.174 -29.362 -3.926 1.00 0.00 C ATOM 183 O ASP A 13 3.678 -28.279 -3.621 1.00 0.00 O ATOM 184 CB ASP A 13 6.334 -29.667 -5.137 1.00 0.00 C ATOM 185 CG ASP A 13 6.862 -28.442 -4.401 1.00 0.00 C ATOM 186 OD1 ASP A 13 6.053 -27.620 -4.003 1.00 0.00 O ATOM 187 OD2 ASP A 13 8.068 -28.342 -4.245 1.00 0.00 O ATOM 0 H ASP A 13 5.121 -27.681 -6.157 1.00 0.00 H new ATOM 0 HA ASP A 13 4.434 -30.496 -5.725 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.593 -30.571 -4.587 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.805 -29.744 -6.117 1.00 0.00 H new ATOM 192 N PHE A 14 4.186 -30.410 -3.109 1.00 0.00 N ATOM 193 CA PHE A 14 3.603 -30.336 -1.774 1.00 0.00 C ATOM 194 C PHE A 14 4.696 -30.252 -0.711 1.00 0.00 C ATOM 195 O PHE A 14 4.441 -30.477 0.472 1.00 0.00 O ATOM 196 CB PHE A 14 2.733 -31.568 -1.515 1.00 0.00 C ATOM 197 CG PHE A 14 1.592 -31.598 -2.502 1.00 0.00 C ATOM 198 CD1 PHE A 14 0.409 -30.902 -2.226 1.00 0.00 C ATOM 199 CD2 PHE A 14 1.717 -32.322 -3.694 1.00 0.00 C ATOM 200 CE1 PHE A 14 -0.650 -30.930 -3.142 1.00 0.00 C ATOM 201 CE2 PHE A 14 0.657 -32.351 -4.609 1.00 0.00 C ATOM 202 CZ PHE A 14 -0.526 -31.656 -4.333 1.00 0.00 C ATOM 0 H PHE A 14 4.591 -31.316 -3.346 1.00 0.00 H new ATOM 0 HA PHE A 14 2.989 -29.437 -1.718 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.331 -32.474 -1.608 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.346 -31.545 -0.496 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.313 -30.343 -1.307 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.630 -32.858 -3.908 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.562 -30.392 -2.930 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.753 -32.910 -5.528 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.343 -31.680 -5.039 1.00 0.00 H new ATOM 212 N GLY A 15 5.913 -29.930 -1.140 1.00 0.00 N ATOM 213 CA GLY A 15 7.036 -29.822 -0.214 1.00 0.00 C ATOM 214 C GLY A 15 7.169 -28.401 0.325 1.00 0.00 C ATOM 215 O GLY A 15 8.094 -28.097 1.077 1.00 0.00 O ATOM 0 H GLY A 15 6.146 -29.741 -2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.896 -30.517 0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.957 -30.110 -0.720 1.00 0.00 H new ATOM 219 N GLY A 16 6.242 -27.534 -0.069 1.00 0.00 N ATOM 220 CA GLY A 16 6.270 -26.146 0.379 1.00 0.00 C ATOM 221 C GLY A 16 4.899 -25.502 0.224 1.00 0.00 C ATOM 222 O GLY A 16 3.945 -26.152 -0.206 1.00 0.00 O ATOM 0 H GLY A 16 5.468 -27.765 -0.692 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.582 -26.102 1.422 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.007 -25.587 -0.198 1.00 0.00 H new ATOM 226 N PHE A 17 4.801 -24.224 0.574 1.00 0.00 N ATOM 227 CA PHE A 17 3.533 -23.515 0.463 1.00 0.00 C ATOM 228 C PHE A 17 3.491 -22.700 -0.824 1.00 0.00 C ATOM 229 O PHE A 17 4.304 -21.799 -1.031 1.00 0.00 O ATOM 230 CB PHE A 17 3.349 -22.585 1.665 1.00 0.00 C ATOM 231 CG PHE A 17 4.458 -21.562 1.686 1.00 0.00 C ATOM 232 CD1 PHE A 17 4.294 -20.338 1.026 1.00 0.00 C ATOM 233 CD2 PHE A 17 5.651 -21.835 2.366 1.00 0.00 C ATOM 234 CE1 PHE A 17 5.323 -19.388 1.045 1.00 0.00 C ATOM 235 CE2 PHE A 17 6.680 -20.885 2.385 1.00 0.00 C ATOM 236 CZ PHE A 17 6.516 -19.662 1.725 1.00 0.00 C ATOM 0 H PHE A 17 5.574 -23.664 0.933 1.00 0.00 H new ATOM 0 HA PHE A 17 2.726 -24.247 0.444 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.381 -22.086 1.607 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.356 -23.163 2.589 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.374 -20.126 0.502 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.778 -22.778 2.876 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.196 -18.444 0.535 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.600 -21.096 2.909 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.309 -18.930 1.740 1.00 0.00 H new ATOM 246 N GLU A 18 2.522 -23.011 -1.676 1.00 0.00 N ATOM 247 CA GLU A 18 2.355 -22.294 -2.934 1.00 0.00 C ATOM 248 C GLU A 18 0.909 -22.397 -3.402 1.00 0.00 C ATOM 249 O GLU A 18 0.287 -23.452 -3.275 1.00 0.00 O ATOM 250 CB GLU A 18 3.285 -22.875 -4.001 1.00 0.00 C ATOM 251 CG GLU A 18 4.736 -22.543 -3.650 1.00 0.00 C ATOM 252 CD GLU A 18 5.680 -23.230 -4.631 1.00 0.00 C ATOM 253 OE1 GLU A 18 6.859 -22.916 -4.607 1.00 0.00 O ATOM 254 OE2 GLU A 18 5.211 -24.060 -5.391 1.00 0.00 O ATOM 0 H GLU A 18 1.841 -23.754 -1.519 1.00 0.00 H new ATOM 0 HA GLU A 18 2.608 -21.246 -2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.153 -23.955 -4.064 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.034 -22.466 -4.979 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.889 -21.464 -3.681 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.956 -22.867 -2.633 1.00 0.00 H new ATOM 261 N PHE A 19 0.369 -21.311 -3.942 1.00 0.00 N ATOM 262 CA PHE A 19 -1.009 -21.326 -4.416 1.00 0.00 C ATOM 263 C PHE A 19 -1.048 -21.221 -5.937 1.00 0.00 C ATOM 264 O PHE A 19 -0.431 -20.332 -6.524 1.00 0.00 O ATOM 265 CB PHE A 19 -1.793 -20.165 -3.807 1.00 0.00 C ATOM 266 CG PHE A 19 -3.242 -20.281 -4.218 1.00 0.00 C ATOM 267 CD1 PHE A 19 -4.122 -21.057 -3.454 1.00 0.00 C ATOM 268 CD2 PHE A 19 -3.702 -19.625 -5.366 1.00 0.00 C ATOM 269 CE1 PHE A 19 -5.464 -21.175 -3.836 1.00 0.00 C ATOM 270 CE2 PHE A 19 -5.045 -19.743 -5.748 1.00 0.00 C ATOM 271 CZ PHE A 19 -5.924 -20.519 -4.983 1.00 0.00 C ATOM 0 H PHE A 19 0.855 -20.422 -4.061 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.465 -22.267 -4.109 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.707 -20.182 -2.721 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.381 -19.214 -4.145 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.766 -21.565 -2.570 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.022 -19.029 -5.957 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.143 -21.772 -3.246 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.402 -19.236 -6.632 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.959 -20.611 -5.279 1.00 0.00 H new ATOM 281 N TYR A 20 -1.782 -22.129 -6.565 1.00 0.00 N ATOM 282 CA TYR A 20 -1.902 -22.127 -8.019 1.00 0.00 C ATOM 283 C TYR A 20 -3.366 -22.200 -8.435 1.00 0.00 C ATOM 284 O TYR A 20 -4.155 -22.924 -7.828 1.00 0.00 O ATOM 285 CB TYR A 20 -1.146 -23.324 -8.602 1.00 0.00 C ATOM 286 CG TYR A 20 0.317 -23.216 -8.250 1.00 0.00 C ATOM 287 CD1 TYR A 20 0.795 -23.784 -7.063 1.00 0.00 C ATOM 288 CD2 TYR A 20 1.198 -22.552 -9.112 1.00 0.00 C ATOM 289 CE1 TYR A 20 2.154 -23.688 -6.739 1.00 0.00 C ATOM 290 CE2 TYR A 20 2.555 -22.455 -8.788 1.00 0.00 C ATOM 291 CZ TYR A 20 3.034 -23.023 -7.601 1.00 0.00 C ATOM 292 OH TYR A 20 4.372 -22.928 -7.280 1.00 0.00 O ATOM 0 H TYR A 20 -2.300 -22.872 -6.096 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.473 -21.201 -8.401 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.558 -24.254 -8.209 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.269 -23.353 -9.685 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.116 -24.296 -6.397 1.00 0.00 H new ATOM 0 HD2 TYR A 20 0.829 -22.114 -10.028 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.523 -24.127 -5.824 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.234 -21.942 -9.453 1.00 0.00 H new ATOM 0 HH TYR A 20 4.611 -23.646 -6.657 1.00 0.00 H new ATOM 302 N VAL A 21 -3.727 -21.455 -9.476 1.00 0.00 N ATOM 303 CA VAL A 21 -5.103 -21.462 -9.955 1.00 0.00 C ATOM 304 C VAL A 21 -5.279 -22.524 -11.032 1.00 0.00 C ATOM 305 O VAL A 21 -4.640 -22.468 -12.082 1.00 0.00 O ATOM 306 CB VAL A 21 -5.475 -20.093 -10.533 1.00 0.00 C ATOM 307 CG1 VAL A 21 -6.896 -20.148 -11.095 1.00 0.00 C ATOM 308 CG2 VAL A 21 -5.413 -19.032 -9.433 1.00 0.00 C ATOM 0 H VAL A 21 -3.095 -20.847 -9.997 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.757 -21.686 -9.112 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.772 -19.836 -11.326 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.162 -19.175 -11.507 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.947 -20.901 -11.881 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.593 -20.408 -10.298 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.678 -18.060 -9.849 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.113 -19.290 -8.639 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.403 -18.989 -9.026 1.00 0.00 H new ATOM 318 N GLU A 22 -6.153 -23.486 -10.768 1.00 0.00 N ATOM 319 CA GLU A 22 -6.407 -24.551 -11.728 1.00 0.00 C ATOM 320 C GLU A 22 -7.213 -24.008 -12.900 1.00 0.00 C ATOM 321 O GLU A 22 -8.093 -23.166 -12.718 1.00 0.00 O ATOM 322 CB GLU A 22 -7.179 -25.688 -11.056 1.00 0.00 C ATOM 323 CG GLU A 22 -6.316 -26.311 -9.957 1.00 0.00 C ATOM 324 CD GLU A 22 -6.522 -25.562 -8.645 1.00 0.00 C ATOM 325 OE1 GLU A 22 -6.047 -26.044 -7.629 1.00 0.00 O ATOM 326 OE2 GLU A 22 -7.152 -24.518 -8.674 1.00 0.00 O ATOM 0 H GLU A 22 -6.693 -23.551 -9.905 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.454 -24.933 -12.093 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.109 -25.309 -10.632 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.449 -26.444 -11.793 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.577 -27.362 -9.830 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.265 -26.276 -10.244 1.00 0.00 H new ATOM 333 N ALA A 23 -6.908 -24.480 -14.103 1.00 0.00 N ATOM 334 CA ALA A 23 -7.623 -24.007 -15.279 1.00 0.00 C ATOM 335 C ALA A 23 -9.123 -24.050 -15.021 1.00 0.00 C ATOM 336 O ALA A 23 -9.665 -25.081 -14.624 1.00 0.00 O ATOM 337 CB ALA A 23 -7.282 -24.880 -16.489 1.00 0.00 C ATOM 0 H ALA A 23 -6.185 -25.176 -14.287 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.322 -22.980 -15.487 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.822 -24.517 -17.363 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.210 -24.834 -16.680 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.570 -25.911 -16.286 1.00 0.00 H new ATOM 343 N GLY A 24 -9.784 -22.920 -15.235 1.00 0.00 N ATOM 344 CA GLY A 24 -11.221 -22.836 -15.009 1.00 0.00 C ATOM 345 C GLY A 24 -11.524 -22.720 -13.518 1.00 0.00 C ATOM 346 O GLY A 24 -12.671 -22.867 -13.095 1.00 0.00 O ATOM 0 H GLY A 24 -9.353 -22.055 -15.562 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.628 -21.973 -15.537 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.711 -23.720 -15.418 1.00 0.00 H new ATOM 350 N GLN A 25 -10.487 -22.459 -12.723 1.00 0.00 N ATOM 351 CA GLN A 25 -10.654 -22.332 -11.281 1.00 0.00 C ATOM 352 C GLN A 25 -10.529 -20.874 -10.854 1.00 0.00 C ATOM 353 O GLN A 25 -9.600 -20.176 -11.260 1.00 0.00 O ATOM 354 CB GLN A 25 -9.598 -23.170 -10.557 1.00 0.00 C ATOM 355 CG GLN A 25 -9.882 -23.164 -9.053 1.00 0.00 C ATOM 356 CD GLN A 25 -11.240 -23.800 -8.778 1.00 0.00 C ATOM 357 OE1 GLN A 25 -11.485 -24.940 -9.172 1.00 0.00 O ATOM 358 NE2 GLN A 25 -12.144 -23.127 -8.121 1.00 0.00 N ATOM 0 H GLN A 25 -9.530 -22.333 -13.053 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.648 -22.693 -11.016 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.608 -24.192 -10.935 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.604 -22.768 -10.751 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.101 -23.711 -8.525 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.866 -22.142 -8.675 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.940 -22.182 -7.795 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.055 -23.545 -7.933 1.00 0.00 H new ATOM 367 N GLN A 26 -11.472 -20.418 -10.035 1.00 0.00 N ATOM 368 CA GLN A 26 -11.453 -19.039 -9.565 1.00 0.00 C ATOM 369 C GLN A 26 -10.496 -18.882 -8.389 1.00 0.00 C ATOM 370 O GLN A 26 -10.616 -19.572 -7.377 1.00 0.00 O ATOM 371 CB GLN A 26 -12.856 -18.610 -9.136 1.00 0.00 C ATOM 372 CG GLN A 26 -12.836 -17.138 -8.718 1.00 0.00 C ATOM 373 CD GLN A 26 -14.243 -16.683 -8.347 1.00 0.00 C ATOM 374 OE1 GLN A 26 -15.198 -17.448 -8.477 1.00 0.00 O ATOM 375 NE2 GLN A 26 -14.429 -15.474 -7.893 1.00 0.00 N ATOM 0 H GLN A 26 -12.251 -20.977 -9.687 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.112 -18.407 -10.385 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -13.559 -18.756 -9.956 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -13.199 -19.229 -8.307 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.165 -17.001 -7.870 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.449 -16.525 -9.532 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.636 -14.842 -7.786 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -15.368 -15.161 -7.645 1.00 0.00 H new ATOM 384 N PHE A 27 -9.547 -17.967 -8.536 1.00 0.00 N ATOM 385 CA PHE A 27 -8.567 -17.718 -7.486 1.00 0.00 C ATOM 386 C PHE A 27 -9.253 -17.245 -6.214 1.00 0.00 C ATOM 387 O PHE A 27 -10.026 -16.288 -6.230 1.00 0.00 O ATOM 388 CB PHE A 27 -7.584 -16.641 -7.944 1.00 0.00 C ATOM 389 CG PHE A 27 -6.564 -16.389 -6.858 1.00 0.00 C ATOM 390 CD1 PHE A 27 -6.835 -15.455 -5.851 1.00 0.00 C ATOM 391 CD2 PHE A 27 -5.345 -17.074 -6.864 1.00 0.00 C ATOM 392 CE1 PHE A 27 -5.889 -15.210 -4.849 1.00 0.00 C ATOM 393 CE2 PHE A 27 -4.399 -16.831 -5.862 1.00 0.00 C ATOM 394 CZ PHE A 27 -4.671 -15.899 -4.854 1.00 0.00 C ATOM 0 H PHE A 27 -9.435 -17.387 -9.368 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.038 -18.649 -7.284 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.084 -16.957 -8.860 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.120 -15.720 -8.174 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.775 -14.923 -5.847 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.133 -17.792 -7.643 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.099 -14.490 -4.072 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.459 -17.363 -5.866 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.941 -15.712 -4.080 1.00 0.00 H new ATOM 404 N ASP A 28 -8.961 -17.921 -5.111 1.00 0.00 N ATOM 405 CA ASP A 28 -9.551 -17.558 -3.835 1.00 0.00 C ATOM 406 C ASP A 28 -8.723 -16.466 -3.169 1.00 0.00 C ATOM 407 O ASP A 28 -7.630 -16.721 -2.664 1.00 0.00 O ATOM 408 CB ASP A 28 -9.612 -18.786 -2.929 1.00 0.00 C ATOM 409 CG ASP A 28 -10.684 -19.750 -3.428 1.00 0.00 C ATOM 410 OD1 ASP A 28 -11.475 -19.344 -4.264 1.00 0.00 O ATOM 411 OD2 ASP A 28 -10.699 -20.879 -2.966 1.00 0.00 O ATOM 0 H ASP A 28 -8.324 -18.717 -5.076 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.561 -17.184 -4.003 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.643 -19.284 -2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.832 -18.482 -1.906 1.00 0.00 H new ATOM 416 N ASP A 29 -9.248 -15.245 -3.182 1.00 0.00 N ATOM 417 CA ASP A 29 -8.546 -14.118 -2.585 1.00 0.00 C ATOM 418 C ASP A 29 -8.518 -14.229 -1.065 1.00 0.00 C ATOM 419 O ASP A 29 -7.595 -13.735 -0.418 1.00 0.00 O ATOM 420 CB ASP A 29 -9.226 -12.808 -2.991 1.00 0.00 C ATOM 421 CG ASP A 29 -10.672 -12.801 -2.510 1.00 0.00 C ATOM 422 OD1 ASP A 29 -11.072 -13.766 -1.880 1.00 0.00 O ATOM 423 OD2 ASP A 29 -11.360 -11.829 -2.779 1.00 0.00 O ATOM 0 H ASP A 29 -10.151 -15.013 -3.597 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.519 -14.128 -2.949 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.688 -11.962 -2.564 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.194 -12.692 -4.074 1.00 0.00 H new ATOM 428 N SER A 30 -9.528 -14.880 -0.497 1.00 0.00 N ATOM 429 CA SER A 30 -9.589 -15.041 0.950 1.00 0.00 C ATOM 430 C SER A 30 -8.495 -15.985 1.439 1.00 0.00 C ATOM 431 O SER A 30 -7.868 -15.742 2.469 1.00 0.00 O ATOM 432 CB SER A 30 -10.956 -15.592 1.357 1.00 0.00 C ATOM 433 OG SER A 30 -11.130 -16.884 0.788 1.00 0.00 O ATOM 0 H SER A 30 -10.305 -15.299 -1.008 1.00 0.00 H new ATOM 0 HA SER A 30 -9.437 -14.063 1.407 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.030 -15.647 2.443 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.747 -14.923 1.017 1.00 0.00 H new ATOM 0 HG SER A 30 -12.005 -17.241 1.048 1.00 0.00 H new ATOM 439 N ALA A 31 -8.267 -17.061 0.691 1.00 0.00 N ATOM 440 CA ALA A 31 -7.243 -18.035 1.056 1.00 0.00 C ATOM 441 C ALA A 31 -5.856 -17.415 0.977 1.00 0.00 C ATOM 442 O ALA A 31 -4.993 -17.684 1.812 1.00 0.00 O ATOM 443 CB ALA A 31 -7.319 -19.250 0.131 1.00 0.00 C ATOM 0 H ALA A 31 -8.774 -17.280 -0.167 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.425 -18.352 2.083 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.551 -19.970 0.412 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.301 -19.714 0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.159 -18.933 -0.900 1.00 0.00 H new ATOM 449 N TYR A 32 -5.653 -16.588 -0.038 1.00 0.00 N ATOM 450 CA TYR A 32 -4.370 -15.934 -0.232 1.00 0.00 C ATOM 451 C TYR A 32 -4.030 -15.099 0.995 1.00 0.00 C ATOM 452 O TYR A 32 -2.873 -15.020 1.410 1.00 0.00 O ATOM 453 CB TYR A 32 -4.424 -15.033 -1.467 1.00 0.00 C ATOM 454 CG TYR A 32 -3.036 -14.540 -1.794 1.00 0.00 C ATOM 455 CD1 TYR A 32 -2.551 -13.366 -1.205 1.00 0.00 C ATOM 456 CD2 TYR A 32 -2.235 -15.253 -2.693 1.00 0.00 C ATOM 457 CE1 TYR A 32 -1.264 -12.908 -1.514 1.00 0.00 C ATOM 458 CE2 TYR A 32 -0.948 -14.796 -3.002 1.00 0.00 C ATOM 459 CZ TYR A 32 -0.463 -13.624 -2.412 1.00 0.00 C ATOM 460 OH TYR A 32 0.805 -13.172 -2.717 1.00 0.00 O ATOM 0 H TYR A 32 -6.358 -16.355 -0.737 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.602 -16.694 -0.378 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.834 -15.583 -2.314 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.088 -14.188 -1.284 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.169 -12.814 -0.513 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.610 -16.157 -3.149 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.889 -12.003 -1.060 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.330 -15.348 -3.695 1.00 0.00 H new ATOM 0 HH TYR A 32 1.366 -13.205 -1.914 1.00 0.00 H new ATOM 470 N GLU A 33 -5.052 -14.473 1.565 1.00 0.00 N ATOM 471 CA GLU A 33 -4.868 -13.635 2.742 1.00 0.00 C ATOM 472 C GLU A 33 -4.346 -14.463 3.913 1.00 0.00 C ATOM 473 O GLU A 33 -3.462 -14.028 4.651 1.00 0.00 O ATOM 474 CB GLU A 33 -6.209 -13.018 3.133 1.00 0.00 C ATOM 475 CG GLU A 33 -6.654 -12.044 2.047 1.00 0.00 C ATOM 476 CD GLU A 33 -7.993 -11.418 2.421 1.00 0.00 C ATOM 477 OE1 GLU A 33 -8.428 -10.528 1.707 1.00 0.00 O ATOM 478 OE2 GLU A 33 -8.564 -11.836 3.414 1.00 0.00 O ATOM 0 H GLU A 33 -6.014 -14.530 1.232 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.144 -12.855 2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.957 -13.800 3.265 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.119 -12.499 4.087 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.903 -11.265 1.917 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.741 -12.565 1.094 1.00 0.00 H new ATOM 485 N GLU A 34 -4.905 -15.656 4.075 1.00 0.00 N ATOM 486 CA GLU A 34 -4.505 -16.549 5.156 1.00 0.00 C ATOM 487 C GLU A 34 -3.234 -17.317 4.800 1.00 0.00 C ATOM 488 O GLU A 34 -2.471 -17.712 5.682 1.00 0.00 O ATOM 489 CB GLU A 34 -5.632 -17.539 5.460 1.00 0.00 C ATOM 490 CG GLU A 34 -5.240 -18.402 6.659 1.00 0.00 C ATOM 491 CD GLU A 34 -6.378 -19.356 7.009 1.00 0.00 C ATOM 492 OE1 GLU A 34 -6.222 -20.114 7.951 1.00 0.00 O ATOM 493 OE2 GLU A 34 -7.390 -19.314 6.327 1.00 0.00 O ATOM 0 H GLU A 34 -5.638 -16.028 3.471 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.303 -15.939 6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.556 -17.001 5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.822 -18.169 4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.337 -18.968 6.430 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.010 -17.767 7.515 1.00 0.00 H new ATOM 500 N ALA A 35 -3.015 -17.530 3.506 1.00 0.00 N ATOM 501 CA ALA A 35 -1.833 -18.257 3.052 1.00 0.00 C ATOM 502 C ALA A 35 -0.664 -17.309 2.803 1.00 0.00 C ATOM 503 O ALA A 35 0.485 -17.743 2.702 1.00 0.00 O ATOM 504 CB ALA A 35 -2.158 -19.018 1.764 1.00 0.00 C ATOM 0 H ALA A 35 -3.633 -17.213 2.759 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.545 -18.959 3.834 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.274 -19.559 1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.966 -19.725 1.953 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.466 -18.312 0.992 1.00 0.00 H new ATOM 510 N TYR A 36 -0.958 -16.018 2.704 1.00 0.00 N ATOM 511 CA TYR A 36 0.083 -15.022 2.465 1.00 0.00 C ATOM 512 C TYR A 36 0.028 -13.919 3.513 1.00 0.00 C ATOM 513 O TYR A 36 0.944 -13.102 3.617 1.00 0.00 O ATOM 514 CB TYR A 36 -0.089 -14.426 1.068 1.00 0.00 C ATOM 515 CG TYR A 36 0.075 -15.522 0.042 1.00 0.00 C ATOM 516 CD1 TYR A 36 -1.037 -16.259 -0.378 1.00 0.00 C ATOM 517 CD2 TYR A 36 1.341 -15.805 -0.487 1.00 0.00 C ATOM 518 CE1 TYR A 36 -0.887 -17.278 -1.325 1.00 0.00 C ATOM 519 CE2 TYR A 36 1.492 -16.824 -1.436 1.00 0.00 C ATOM 520 CZ TYR A 36 0.379 -17.561 -1.855 1.00 0.00 C ATOM 521 OH TYR A 36 0.526 -18.566 -2.788 1.00 0.00 O ATOM 0 H TYR A 36 -1.901 -15.637 2.785 1.00 0.00 H new ATOM 0 HA TYR A 36 1.055 -15.510 2.535 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.073 -13.966 0.973 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.648 -13.640 0.901 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.013 -16.041 0.029 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.201 -15.237 -0.163 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.747 -17.846 -1.647 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.468 -17.041 -1.844 1.00 0.00 H new ATOM 0 HH TYR A 36 0.868 -18.188 -3.625 1.00 0.00 H new ATOM 531 N GLY A 37 -1.050 -13.895 4.289 1.00 0.00 N ATOM 532 CA GLY A 37 -1.201 -12.879 5.321 1.00 0.00 C ATOM 533 C GLY A 37 -1.200 -11.502 4.679 1.00 0.00 C ATOM 534 O GLY A 37 -0.832 -10.508 5.306 1.00 0.00 O ATOM 0 H GLY A 37 -1.822 -14.558 4.224 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.130 -13.036 5.868 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.389 -12.956 6.044 1.00 0.00 H new ATOM 538 N VAL A 38 -1.598 -11.459 3.413 1.00 0.00 N ATOM 539 CA VAL A 38 -1.629 -10.215 2.661 1.00 0.00 C ATOM 540 C VAL A 38 -2.922 -10.112 1.856 1.00 0.00 C ATOM 541 O VAL A 38 -3.337 -11.074 1.211 1.00 0.00 O ATOM 542 CB VAL A 38 -0.424 -10.180 1.724 1.00 0.00 C ATOM 543 CG1 VAL A 38 -0.771 -9.398 0.462 1.00 0.00 C ATOM 544 CG2 VAL A 38 0.754 -9.507 2.432 1.00 0.00 C ATOM 0 H VAL A 38 -1.905 -12.276 2.886 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.589 -9.371 3.349 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.153 -11.200 1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.093 -9.377 -0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.607 -9.879 -0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.047 -8.378 0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.614 -9.482 1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.479 -8.489 2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.009 -10.070 3.330 1.00 0.00 H new ATOM 554 N SER A 39 -3.562 -8.948 1.907 1.00 0.00 N ATOM 555 CA SER A 39 -4.813 -8.758 1.182 1.00 0.00 C ATOM 556 C SER A 39 -4.576 -8.723 -0.325 1.00 0.00 C ATOM 557 O SER A 39 -3.597 -8.144 -0.798 1.00 0.00 O ATOM 558 CB SER A 39 -5.477 -7.453 1.623 1.00 0.00 C ATOM 559 OG SER A 39 -4.660 -6.356 1.235 1.00 0.00 O ATOM 0 H SER A 39 -3.242 -8.135 2.433 1.00 0.00 H new ATOM 0 HA SER A 39 -5.466 -9.600 1.410 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.465 -7.363 1.171 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.619 -7.451 2.704 1.00 0.00 H new ATOM 0 HG SER A 39 -5.084 -5.518 1.515 1.00 0.00 H new ATOM 565 N VAL A 40 -5.476 -9.358 -1.073 1.00 0.00 N ATOM 566 CA VAL A 40 -5.358 -9.408 -2.525 1.00 0.00 C ATOM 567 C VAL A 40 -6.399 -8.510 -3.183 1.00 0.00 C ATOM 568 O VAL A 40 -7.596 -8.788 -3.125 1.00 0.00 O ATOM 569 CB VAL A 40 -5.558 -10.845 -3.010 1.00 0.00 C ATOM 570 CG1 VAL A 40 -5.402 -10.899 -4.530 1.00 0.00 C ATOM 571 CG2 VAL A 40 -4.518 -11.756 -2.356 1.00 0.00 C ATOM 0 H VAL A 40 -6.291 -9.843 -0.698 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.363 -9.057 -2.800 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.558 -11.183 -2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.545 -11.923 -4.874 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.146 -10.253 -4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.404 -10.559 -4.806 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.662 -12.779 -2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.517 -11.419 -2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.633 -11.720 -1.273 1.00 0.00 H new ATOM 581 N PRO A 41 -5.967 -7.451 -3.812 1.00 0.00 N ATOM 582 CA PRO A 41 -6.884 -6.498 -4.506 1.00 0.00 C ATOM 583 C PRO A 41 -7.730 -7.207 -5.560 1.00 0.00 C ATOM 584 O PRO A 41 -7.243 -8.090 -6.265 1.00 0.00 O ATOM 585 CB PRO A 41 -5.929 -5.492 -5.160 1.00 0.00 C ATOM 586 CG PRO A 41 -4.671 -5.581 -4.363 1.00 0.00 C ATOM 587 CD PRO A 41 -4.560 -7.039 -3.931 1.00 0.00 C ATOM 0 HA PRO A 41 -7.596 -6.032 -3.825 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.752 -5.739 -6.207 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.341 -4.483 -5.136 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.808 -5.282 -4.958 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.707 -4.918 -3.499 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.024 -7.639 -4.666 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.027 -7.141 -2.986 1.00 0.00 H new ATOM 595 N SER A 42 -9.003 -6.836 -5.648 1.00 0.00 N ATOM 596 CA SER A 42 -9.904 -7.471 -6.602 1.00 0.00 C ATOM 597 C SER A 42 -9.397 -7.309 -8.032 1.00 0.00 C ATOM 598 O SER A 42 -9.541 -8.213 -8.853 1.00 0.00 O ATOM 599 CB SER A 42 -11.299 -6.855 -6.485 1.00 0.00 C ATOM 600 OG SER A 42 -11.231 -5.474 -6.815 1.00 0.00 O ATOM 0 H SER A 42 -9.430 -6.107 -5.077 1.00 0.00 H new ATOM 0 HA SER A 42 -9.947 -8.535 -6.370 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.992 -7.367 -7.153 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.681 -6.980 -5.472 1.00 0.00 H new ATOM 0 HG SER A 42 -12.124 -5.076 -6.743 1.00 0.00 H new ATOM 606 N ALA A 43 -8.811 -6.158 -8.335 1.00 0.00 N ATOM 607 CA ALA A 43 -8.299 -5.916 -9.678 1.00 0.00 C ATOM 608 C ALA A 43 -7.193 -6.909 -10.031 1.00 0.00 C ATOM 609 O ALA A 43 -7.143 -7.424 -11.148 1.00 0.00 O ATOM 610 CB ALA A 43 -7.755 -4.490 -9.778 1.00 0.00 C ATOM 0 H ALA A 43 -8.679 -5.387 -7.680 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.120 -6.047 -10.383 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.374 -4.316 -10.784 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.554 -3.780 -9.565 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.949 -4.357 -9.057 1.00 0.00 H new ATOM 616 N VAL A 44 -6.306 -7.170 -9.074 1.00 0.00 N ATOM 617 CA VAL A 44 -5.200 -8.098 -9.295 1.00 0.00 C ATOM 618 C VAL A 44 -5.687 -9.543 -9.398 1.00 0.00 C ATOM 619 O VAL A 44 -5.238 -10.300 -10.258 1.00 0.00 O ATOM 620 CB VAL A 44 -4.193 -7.984 -8.150 1.00 0.00 C ATOM 621 CG1 VAL A 44 -3.141 -9.088 -8.282 1.00 0.00 C ATOM 622 CG2 VAL A 44 -3.506 -6.618 -8.212 1.00 0.00 C ATOM 0 H VAL A 44 -6.331 -6.755 -8.143 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.727 -7.831 -10.240 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.713 -8.089 -7.198 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.423 -9.006 -7.466 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.629 -10.062 -8.240 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.621 -8.983 -9.234 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.788 -6.535 -7.396 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.987 -6.515 -9.165 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.254 -5.830 -8.119 1.00 0.00 H new ATOM 632 N VAL A 45 -6.593 -9.922 -8.503 1.00 0.00 N ATOM 633 CA VAL A 45 -7.120 -11.286 -8.483 1.00 0.00 C ATOM 634 C VAL A 45 -7.900 -11.593 -9.756 1.00 0.00 C ATOM 635 O VAL A 45 -7.868 -12.720 -10.250 1.00 0.00 O ATOM 636 CB VAL A 45 -8.032 -11.468 -7.271 1.00 0.00 C ATOM 637 CG1 VAL A 45 -9.383 -10.808 -7.542 1.00 0.00 C ATOM 638 CG2 VAL A 45 -8.237 -12.957 -7.002 1.00 0.00 C ATOM 0 H VAL A 45 -6.978 -9.309 -7.784 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.278 -11.975 -8.421 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.570 -11.003 -6.400 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.032 -10.939 -6.676 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.237 -9.744 -7.729 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.845 -11.269 -8.415 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.888 -13.084 -6.137 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.696 -13.424 -7.873 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.274 -13.427 -6.803 1.00 0.00 H new ATOM 648 N GLU A 46 -8.600 -10.596 -10.286 1.00 0.00 N ATOM 649 CA GLU A 46 -9.375 -10.806 -11.502 1.00 0.00 C ATOM 650 C GLU A 46 -8.458 -11.177 -12.661 1.00 0.00 C ATOM 651 O GLU A 46 -8.762 -12.084 -13.438 1.00 0.00 O ATOM 652 CB GLU A 46 -10.161 -9.540 -11.851 1.00 0.00 C ATOM 653 CG GLU A 46 -11.290 -9.344 -10.839 1.00 0.00 C ATOM 654 CD GLU A 46 -11.954 -7.988 -11.054 1.00 0.00 C ATOM 655 OE1 GLU A 46 -13.021 -7.778 -10.501 1.00 0.00 O ATOM 656 OE2 GLU A 46 -11.385 -7.179 -11.769 1.00 0.00 O ATOM 0 H GLU A 46 -8.647 -9.652 -9.902 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.073 -11.625 -11.328 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.498 -8.675 -11.844 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.571 -9.620 -12.858 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.027 -10.140 -10.945 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.896 -9.408 -9.825 1.00 0.00 H new ATOM 663 N GLU A 47 -7.340 -10.469 -12.781 1.00 0.00 N ATOM 664 CA GLU A 47 -6.394 -10.732 -13.858 1.00 0.00 C ATOM 665 C GLU A 47 -5.869 -12.160 -13.772 1.00 0.00 C ATOM 666 O GLU A 47 -5.780 -12.859 -14.781 1.00 0.00 O ATOM 667 CB GLU A 47 -5.224 -9.750 -13.777 1.00 0.00 C ATOM 668 CG GLU A 47 -4.237 -10.037 -14.910 1.00 0.00 C ATOM 669 CD GLU A 47 -4.910 -9.813 -16.259 1.00 0.00 C ATOM 670 OE1 GLU A 47 -4.408 -10.330 -17.243 1.00 0.00 O ATOM 671 OE2 GLU A 47 -5.919 -9.127 -16.289 1.00 0.00 O ATOM 0 H GLU A 47 -7.068 -9.714 -12.151 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.910 -10.603 -14.809 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.590 -8.726 -13.850 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.724 -9.842 -12.813 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.366 -9.388 -14.817 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.879 -11.064 -14.839 1.00 0.00 H new ATOM 678 N MET A 48 -5.531 -12.594 -12.563 1.00 0.00 N ATOM 679 CA MET A 48 -5.027 -13.946 -12.368 1.00 0.00 C ATOM 680 C MET A 48 -6.107 -14.958 -12.736 1.00 0.00 C ATOM 681 O MET A 48 -5.832 -15.983 -13.359 1.00 0.00 O ATOM 682 CB MET A 48 -4.609 -14.145 -10.909 1.00 0.00 C ATOM 683 CG MET A 48 -3.379 -13.288 -10.611 1.00 0.00 C ATOM 684 SD MET A 48 -2.003 -13.819 -11.660 1.00 0.00 S ATOM 685 CE MET A 48 -0.820 -12.552 -11.138 1.00 0.00 C ATOM 0 H MET A 48 -5.596 -12.035 -11.712 1.00 0.00 H new ATOM 0 HA MET A 48 -4.159 -14.096 -13.010 1.00 0.00 H new ATOM 0 HB2 MET A 48 -5.427 -13.869 -10.244 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.387 -15.196 -10.723 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.603 -12.237 -10.792 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.105 -13.380 -9.560 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.282 -12.176 -12.008 1.00 0.00 H new ATOM 0 HE2 MET A 48 -1.354 -11.731 -10.658 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.111 -12.985 -10.433 1.00 0.00 H new ATOM 695 N ASN A 49 -7.342 -14.643 -12.357 1.00 0.00 N ATOM 696 CA ASN A 49 -8.472 -15.512 -12.664 1.00 0.00 C ATOM 697 C ASN A 49 -8.685 -15.590 -14.172 1.00 0.00 C ATOM 698 O ASN A 49 -8.988 -16.654 -14.714 1.00 0.00 O ATOM 699 CB ASN A 49 -9.740 -14.977 -11.994 1.00 0.00 C ATOM 700 CG ASN A 49 -9.659 -15.191 -10.487 1.00 0.00 C ATOM 701 OD1 ASN A 49 -8.889 -16.030 -10.020 1.00 0.00 O ATOM 702 ND2 ASN A 49 -10.414 -14.481 -9.695 1.00 0.00 N ATOM 0 H ASN A 49 -7.584 -13.798 -11.840 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.256 -16.510 -12.284 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.858 -13.916 -12.214 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.617 -15.485 -12.396 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.367 -14.620 -8.686 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.051 -13.786 -10.085 1.00 0.00 H new ATOM 709 N ALA A 50 -8.523 -14.452 -14.840 1.00 0.00 N ATOM 710 CA ALA A 50 -8.698 -14.395 -16.287 1.00 0.00 C ATOM 711 C ALA A 50 -7.686 -15.296 -16.984 1.00 0.00 C ATOM 712 O ALA A 50 -8.019 -15.998 -17.939 1.00 0.00 O ATOM 713 CB ALA A 50 -8.526 -12.956 -16.777 1.00 0.00 C ATOM 0 H ALA A 50 -8.273 -13.563 -14.406 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.703 -14.743 -16.527 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.658 -12.922 -17.858 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.270 -12.318 -16.300 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.527 -12.602 -16.522 1.00 0.00 H new ATOM 719 N LYS A 51 -6.445 -15.264 -16.507 1.00 0.00 N ATOM 720 CA LYS A 51 -5.392 -16.076 -17.099 1.00 0.00 C ATOM 721 C LYS A 51 -5.727 -17.558 -16.980 1.00 0.00 C ATOM 722 O LYS A 51 -5.512 -18.329 -17.913 1.00 0.00 O ATOM 723 CB LYS A 51 -4.074 -15.793 -16.383 1.00 0.00 C ATOM 724 CG LYS A 51 -3.620 -14.373 -16.716 1.00 0.00 C ATOM 725 CD LYS A 51 -2.343 -14.052 -15.943 1.00 0.00 C ATOM 726 CE LYS A 51 -1.926 -12.612 -16.237 1.00 0.00 C ATOM 727 NZ LYS A 51 -1.550 -12.484 -17.674 1.00 0.00 N ATOM 0 H LYS A 51 -6.148 -14.689 -15.719 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.304 -15.822 -18.155 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.199 -15.905 -15.306 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.316 -16.513 -16.692 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.443 -14.278 -17.787 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.403 -13.660 -16.458 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.508 -14.184 -14.874 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.547 -14.739 -16.230 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.744 -11.931 -16.003 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.085 -12.330 -15.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.975 -11.628 -17.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.002 -13.318 -17.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.411 -12.416 -18.253 1.00 0.00 H new ATOM 741 N ALA A 52 -6.265 -17.946 -15.828 1.00 0.00 N ATOM 742 CA ALA A 52 -6.637 -19.337 -15.590 1.00 0.00 C ATOM 743 C ALA A 52 -7.693 -19.794 -16.589 1.00 0.00 C ATOM 744 O ALA A 52 -7.687 -20.941 -17.034 1.00 0.00 O ATOM 745 CB ALA A 52 -7.177 -19.495 -14.167 1.00 0.00 C ATOM 0 H ALA A 52 -6.453 -17.319 -15.046 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.748 -19.955 -15.715 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.453 -20.536 -13.996 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.409 -19.201 -13.452 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.054 -18.861 -14.038 1.00 0.00 H new ATOM 751 N ALA A 53 -8.593 -18.884 -16.940 1.00 0.00 N ATOM 752 CA ALA A 53 -9.652 -19.193 -17.893 1.00 0.00 C ATOM 753 C ALA A 53 -9.065 -19.577 -19.247 1.00 0.00 C ATOM 754 O ALA A 53 -9.585 -20.459 -19.932 1.00 0.00 O ATOM 755 CB ALA A 53 -10.573 -17.982 -18.059 1.00 0.00 C ATOM 0 H ALA A 53 -8.611 -17.930 -16.581 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.224 -20.037 -17.508 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.362 -18.220 -18.772 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.018 -17.729 -17.097 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.996 -17.133 -18.426 1.00 0.00 H new ATOM 761 N GLN A 54 -7.980 -18.910 -19.626 1.00 0.00 N ATOM 762 CA GLN A 54 -7.331 -19.191 -20.902 1.00 0.00 C ATOM 763 C GLN A 54 -6.373 -20.373 -20.777 1.00 0.00 C ATOM 764 O GLN A 54 -5.908 -20.913 -21.780 1.00 0.00 O ATOM 765 CB GLN A 54 -6.562 -17.957 -21.376 1.00 0.00 C ATOM 766 CG GLN A 54 -7.550 -16.854 -21.761 1.00 0.00 C ATOM 767 CD GLN A 54 -6.800 -15.556 -22.037 1.00 0.00 C ATOM 768 OE1 GLN A 54 -5.740 -15.314 -21.460 1.00 0.00 O ATOM 769 NE2 GLN A 54 -7.290 -14.698 -22.890 1.00 0.00 N ATOM 0 H GLN A 54 -7.534 -18.177 -19.074 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.102 -19.444 -21.629 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.897 -17.605 -20.587 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.935 -18.212 -22.230 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.115 -17.152 -22.644 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.271 -16.703 -20.957 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.168 -14.899 -23.368 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.794 -13.827 -23.079 1.00 0.00 H new ATOM 778 N LEU A 55 -6.076 -20.769 -19.542 1.00 0.00 N ATOM 779 CA LEU A 55 -5.166 -21.887 -19.309 1.00 0.00 C ATOM 780 C LEU A 55 -5.813 -23.218 -19.672 1.00 0.00 C ATOM 781 O LEU A 55 -6.980 -23.463 -19.366 1.00 0.00 O ATOM 782 CB LEU A 55 -4.729 -21.919 -17.843 1.00 0.00 C ATOM 783 CG LEU A 55 -3.769 -20.762 -17.566 1.00 0.00 C ATOM 784 CD1 LEU A 55 -3.530 -20.646 -16.060 1.00 0.00 C ATOM 785 CD2 LEU A 55 -2.438 -21.030 -18.271 1.00 0.00 C ATOM 0 H LEU A 55 -6.447 -20.338 -18.696 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.296 -21.740 -19.949 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.600 -21.845 -17.192 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.243 -22.869 -17.619 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.201 -19.833 -17.938 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.845 -19.821 -15.863 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.478 -20.460 -15.554 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.096 -21.574 -15.688 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.751 -20.207 -18.076 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.008 -21.959 -17.896 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.606 -21.116 -19.345 1.00 0.00 H new ATOM 797 N LYS A 56 -5.034 -24.073 -20.323 1.00 0.00 N ATOM 798 CA LYS A 56 -5.513 -25.389 -20.728 1.00 0.00 C ATOM 799 C LYS A 56 -5.202 -26.418 -19.645 1.00 0.00 C ATOM 800 O LYS A 56 -4.466 -26.133 -18.700 1.00 0.00 O ATOM 801 CB LYS A 56 -4.851 -25.808 -22.041 1.00 0.00 C ATOM 802 CG LYS A 56 -4.962 -24.669 -23.057 1.00 0.00 C ATOM 803 CD LYS A 56 -6.419 -24.519 -23.499 1.00 0.00 C ATOM 804 CE LYS A 56 -6.541 -24.857 -24.986 1.00 0.00 C ATOM 805 NZ LYS A 56 -6.602 -26.336 -25.156 1.00 0.00 N ATOM 0 H LYS A 56 -4.067 -23.879 -20.582 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.592 -25.338 -20.872 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.803 -26.055 -21.869 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.330 -26.706 -22.432 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.607 -23.738 -22.615 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.328 -24.874 -23.920 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.058 -25.179 -22.912 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.762 -23.500 -23.318 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.436 -24.395 -25.403 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.689 -24.452 -25.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.685 -26.566 -26.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.736 -26.765 -24.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.428 -26.710 -24.647 1.00 0.00 H new ATOM 819 N ASP A 57 -5.761 -27.614 -19.788 1.00 0.00 N ATOM 820 CA ASP A 57 -5.529 -28.673 -18.814 1.00 0.00 C ATOM 821 C ASP A 57 -4.047 -29.032 -18.767 1.00 0.00 C ATOM 822 O ASP A 57 -3.339 -28.910 -19.767 1.00 0.00 O ATOM 823 CB ASP A 57 -6.346 -29.913 -19.183 1.00 0.00 C ATOM 824 CG ASP A 57 -7.827 -29.659 -18.919 1.00 0.00 C ATOM 825 OD1 ASP A 57 -8.131 -28.680 -18.258 1.00 0.00 O ATOM 826 OD2 ASP A 57 -8.635 -30.449 -19.380 1.00 0.00 O ATOM 0 H ASP A 57 -6.373 -27.873 -20.562 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.840 -28.316 -17.832 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.193 -30.161 -20.233 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.006 -30.769 -18.601 1.00 0.00 H new ATOM 831 N GLY A 58 -3.583 -29.474 -17.602 1.00 0.00 N ATOM 832 CA GLY A 58 -2.183 -29.845 -17.445 1.00 0.00 C ATOM 833 C GLY A 58 -1.307 -28.615 -17.223 1.00 0.00 C ATOM 834 O GLY A 58 -0.086 -28.688 -17.338 1.00 0.00 O ATOM 0 H GLY A 58 -4.150 -29.583 -16.761 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.077 -30.527 -16.601 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.844 -30.380 -18.332 1.00 0.00 H new ATOM 838 N GLU A 59 -1.940 -27.490 -16.901 1.00 0.00 N ATOM 839 CA GLU A 59 -1.205 -26.251 -16.656 1.00 0.00 C ATOM 840 C GLU A 59 -1.648 -25.608 -15.347 1.00 0.00 C ATOM 841 O GLU A 59 -2.786 -25.786 -14.912 1.00 0.00 O ATOM 842 CB GLU A 59 -1.419 -25.271 -17.810 1.00 0.00 C ATOM 843 CG GLU A 59 -0.707 -25.798 -19.056 1.00 0.00 C ATOM 844 CD GLU A 59 -1.029 -24.913 -20.255 1.00 0.00 C ATOM 845 OE1 GLU A 59 -0.384 -25.076 -21.278 1.00 0.00 O ATOM 846 OE2 GLU A 59 -1.917 -24.084 -20.133 1.00 0.00 O ATOM 0 H GLU A 59 -2.952 -27.410 -16.804 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.145 -26.495 -16.584 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.484 -25.151 -18.008 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.032 -24.287 -17.544 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.370 -25.819 -18.888 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.018 -26.823 -19.256 1.00 0.00 H new ATOM 853 N TRP A 60 -0.743 -24.860 -14.719 1.00 0.00 N ATOM 854 CA TRP A 60 -1.060 -24.200 -13.460 1.00 0.00 C ATOM 855 C TRP A 60 -0.502 -22.781 -13.440 1.00 0.00 C ATOM 856 O TRP A 60 0.517 -22.494 -14.069 1.00 0.00 O ATOM 857 CB TRP A 60 -0.478 -24.994 -12.288 1.00 0.00 C ATOM 858 CG TRP A 60 -0.899 -26.425 -12.398 1.00 0.00 C ATOM 859 CD1 TRP A 60 -0.055 -27.469 -12.555 1.00 0.00 C ATOM 860 CD2 TRP A 60 -2.244 -26.985 -12.379 1.00 0.00 C ATOM 861 NE1 TRP A 60 -0.795 -28.636 -12.623 1.00 0.00 N ATOM 862 CE2 TRP A 60 -2.149 -28.389 -12.521 1.00 0.00 C ATOM 863 CE3 TRP A 60 -3.525 -26.417 -12.252 1.00 0.00 C ATOM 864 CZ2 TRP A 60 -3.282 -29.203 -12.535 1.00 0.00 C ATOM 865 CZ3 TRP A 60 -4.669 -27.234 -12.268 1.00 0.00 C ATOM 866 CH2 TRP A 60 -4.547 -28.623 -12.408 1.00 0.00 C ATOM 0 H TRP A 60 0.205 -24.698 -15.059 1.00 0.00 H new ATOM 0 HA TRP A 60 -2.145 -24.153 -13.364 1.00 0.00 H new ATOM 0 HB2 TRP A 60 0.610 -24.922 -12.291 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -0.823 -24.574 -11.343 1.00 0.00 H new ATOM 0 HD1 TRP A 60 1.021 -27.403 -12.617 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.389 -29.565 -12.735 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.630 -25.348 -12.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -3.182 -30.273 -12.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -5.648 -26.788 -12.172 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -5.430 -29.245 -12.418 1.00 0.00 H new ATOM 877 N LEU A 61 -1.174 -21.900 -12.710 1.00 0.00 N ATOM 878 CA LEU A 61 -0.740 -20.512 -12.603 1.00 0.00 C ATOM 879 C LEU A 61 -0.088 -20.281 -11.242 1.00 0.00 C ATOM 880 O LEU A 61 -0.553 -20.806 -10.230 1.00 0.00 O ATOM 881 CB LEU A 61 -1.936 -19.575 -12.773 1.00 0.00 C ATOM 882 CG LEU A 61 -1.455 -18.127 -12.706 1.00 0.00 C ATOM 883 CD1 LEU A 61 -0.453 -17.879 -13.835 1.00 0.00 C ATOM 884 CD2 LEU A 61 -2.651 -17.186 -12.869 1.00 0.00 C ATOM 0 H LEU A 61 -2.020 -22.121 -12.184 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.014 -20.303 -13.389 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.428 -19.763 -13.727 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.673 -19.762 -11.992 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.977 -17.942 -11.744 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.106 -16.847 -13.793 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.396 -18.553 -13.722 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.935 -18.061 -14.796 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.310 -16.152 -12.821 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.128 -17.367 -13.832 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.369 -17.368 -12.069 1.00 0.00 H new ATOM 896 N ASN A 62 0.989 -19.502 -11.216 1.00 0.00 N ATOM 897 CA ASN A 62 1.688 -19.226 -9.965 1.00 0.00 C ATOM 898 C ASN A 62 1.315 -17.849 -9.420 1.00 0.00 C ATOM 899 O ASN A 62 1.415 -16.845 -10.124 1.00 0.00 O ATOM 900 CB ASN A 62 3.201 -19.292 -10.186 1.00 0.00 C ATOM 901 CG ASN A 62 3.933 -18.938 -8.895 1.00 0.00 C ATOM 902 OD1 ASN A 62 4.343 -17.793 -8.707 1.00 0.00 O ATOM 903 ND2 ASN A 62 4.125 -19.859 -7.990 1.00 0.00 N ATOM 0 H ASN A 62 1.394 -19.054 -12.038 1.00 0.00 H new ATOM 0 HA ASN A 62 1.389 -19.981 -9.238 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.486 -20.292 -10.513 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.491 -18.603 -10.979 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.615 -19.630 -7.125 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.785 -20.808 -8.147 1.00 0.00 H new ATOM 910 N VAL A 63 0.892 -17.812 -8.161 1.00 0.00 N ATOM 911 CA VAL A 63 0.512 -16.556 -7.524 1.00 0.00 C ATOM 912 C VAL A 63 1.422 -16.271 -6.333 1.00 0.00 C ATOM 913 O VAL A 63 1.604 -17.123 -5.463 1.00 0.00 O ATOM 914 CB VAL A 63 -0.942 -16.624 -7.055 1.00 0.00 C ATOM 915 CG1 VAL A 63 -1.316 -15.315 -6.358 1.00 0.00 C ATOM 916 CG2 VAL A 63 -1.857 -16.838 -8.262 1.00 0.00 C ATOM 0 H VAL A 63 0.804 -18.634 -7.563 1.00 0.00 H new ATOM 0 HA VAL A 63 0.617 -15.752 -8.252 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.060 -17.453 -6.357 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.352 -15.364 -6.024 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.664 -15.162 -5.498 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.198 -14.485 -7.055 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.894 -16.887 -7.929 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.739 -16.009 -8.960 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.592 -17.771 -8.759 1.00 0.00 H new ATOM 926 N SER A 64 1.998 -15.073 -6.302 1.00 0.00 N ATOM 927 CA SER A 64 2.895 -14.689 -5.216 1.00 0.00 C ATOM 928 C SER A 64 2.879 -13.174 -5.029 1.00 0.00 C ATOM 929 O SER A 64 2.292 -12.450 -5.834 1.00 0.00 O ATOM 930 CB SER A 64 4.319 -15.152 -5.525 1.00 0.00 C ATOM 931 OG SER A 64 4.815 -14.430 -6.644 1.00 0.00 O ATOM 0 H SER A 64 1.861 -14.354 -7.013 1.00 0.00 H new ATOM 0 HA SER A 64 2.553 -15.165 -4.297 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.962 -14.991 -4.660 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.329 -16.222 -5.734 1.00 0.00 H new ATOM 0 HG SER A 64 4.142 -14.429 -7.357 1.00 0.00 H new ATOM 937 N HIS A 65 3.521 -12.697 -3.966 1.00 0.00 N ATOM 938 CA HIS A 65 3.563 -11.264 -3.697 1.00 0.00 C ATOM 939 C HIS A 65 4.887 -10.888 -3.039 1.00 0.00 C ATOM 940 O HIS A 65 5.591 -11.747 -2.509 1.00 0.00 O ATOM 941 CB HIS A 65 2.413 -10.872 -2.768 1.00 0.00 C ATOM 942 CG HIS A 65 2.674 -11.411 -1.388 1.00 0.00 C ATOM 943 ND1 HIS A 65 2.442 -12.735 -1.052 1.00 0.00 N ATOM 944 CD2 HIS A 65 3.148 -10.812 -0.247 1.00 0.00 C ATOM 945 CE1 HIS A 65 2.775 -12.889 0.243 1.00 0.00 C ATOM 946 NE2 HIS A 65 3.211 -11.747 0.781 1.00 0.00 N ATOM 0 H HIS A 65 4.014 -13.274 -3.285 1.00 0.00 H new ATOM 0 HA HIS A 65 3.466 -10.732 -4.644 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.314 -9.787 -2.733 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.472 -11.266 -3.151 1.00 0.00 H new ATOM 0 HD2 HIS A 65 3.429 -9.773 -0.161 1.00 0.00 H new ATOM 0 HE1 HIS A 65 2.699 -13.822 0.781 1.00 0.00 H new ATOM 0 HE2 HIS A 65 3.523 -11.593 1.740 1.00 0.00 H new ATOM 954 N GLU A 66 5.221 -9.602 -3.076 1.00 0.00 N ATOM 955 CA GLU A 66 6.464 -9.128 -2.479 1.00 0.00 C ATOM 956 C GLU A 66 6.180 -8.389 -1.176 1.00 0.00 C ATOM 957 O GLU A 66 5.324 -7.506 -1.128 1.00 0.00 O ATOM 958 CB GLU A 66 7.183 -8.192 -3.452 1.00 0.00 C ATOM 959 CG GLU A 66 8.470 -7.674 -2.806 1.00 0.00 C ATOM 960 CD GLU A 66 9.416 -8.835 -2.523 1.00 0.00 C ATOM 961 OE1 GLU A 66 10.307 -8.662 -1.708 1.00 0.00 O ATOM 962 OE2 GLU A 66 9.236 -9.881 -3.125 1.00 0.00 O ATOM 0 H GLU A 66 4.653 -8.874 -3.510 1.00 0.00 H new ATOM 0 HA GLU A 66 7.098 -9.989 -2.266 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.415 -8.720 -4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.534 -7.357 -3.716 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.953 -6.953 -3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.236 -7.151 -1.879 1.00 0.00 H new ATOM 969 N ALA A 67 6.901 -8.755 -0.122 1.00 0.00 N ATOM 970 CA ALA A 67 6.715 -8.117 1.175 1.00 0.00 C ATOM 971 C ALA A 67 8.059 -7.694 1.762 1.00 0.00 C ATOM 972 O ALA A 67 8.257 -6.503 1.938 1.00 0.00 O ATOM 973 CB ALA A 67 6.016 -9.080 2.137 1.00 0.00 C ATOM 0 H ALA A 67 7.614 -9.484 -0.140 1.00 0.00 H new ATOM 0 HA ALA A 67 6.096 -7.230 1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.881 -8.595 3.104 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.043 -9.357 1.731 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.625 -9.975 2.262 1.00 0.00 H new TER 979 ALA A 67