USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 551 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0713 (180deg=0) USER MOD Single : A 2 SER OG : rot 34:sc= 0.925 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0515 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 49:sc= 0.333 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 40:sc= 1.04 USER MOD Single : A 15 GLN : amide:sc= -0.0261 K(o=-0.026,f=-1.5) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 CYS SG : rot 11:sc= 0.00524 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 45:sc= 0.0824 USER MOD Single : A 36 HIS : no HD1:sc= -0.287 X(o=-0.29,f=-0.26) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -6.63! C(o=-6.6!,f=-7!) USER MOD Single : A 45 HIS : no HE2:sc= -2.78 X(o=-2.8,f=-3.1!) USER MOD Single : A 46 GLN : amide:sc= -1.64! C(o=-1.6!,f=-3!) USER MOD Single : A 50 GLN : amide:sc= -1.04 K(o=-1,f=-3.4!) USER MOD Single : A 51 GLN : amide:sc= -2.57! K(o=-2.6!,f=-0.27) USER MOD Single : A 54 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0179) USER MOD Single : A 55 SER OG : rot 77:sc= 0.271 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 180:sc= -0.0859 USER MOD Single : A 65 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0299) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 160:sc= -2.23 (180deg=-2.7) USER MOD Single : A 72 THR OG1 : rot 147:sc= 0.69 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.123 7.934 3.134 1.00 0.00 N ATOM 2 CA GLY A 1 -21.489 7.624 3.511 1.00 0.00 C ATOM 3 C GLY A 1 -21.696 6.145 3.774 1.00 0.00 C ATOM 4 O GLY A 1 -20.924 5.310 3.304 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.656 8.445 3.910 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.607 7.052 2.941 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.125 8.528 2.280 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.753 8.189 4.405 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.164 7.947 2.718 1.00 0.00 H new ATOM 8 N SER A 2 -22.742 5.820 4.528 1.00 0.00 N ATOM 9 CA SER A 2 -23.045 4.433 4.857 1.00 0.00 C ATOM 10 C SER A 2 -24.484 4.293 5.346 1.00 0.00 C ATOM 11 O SER A 2 -24.893 4.951 6.302 1.00 0.00 O ATOM 12 CB SER A 2 -22.079 3.917 5.925 1.00 0.00 C ATOM 13 OG SER A 2 -20.888 3.421 5.338 1.00 0.00 O ATOM 0 H SER A 2 -23.393 6.499 4.922 1.00 0.00 H new ATOM 0 HA SER A 2 -22.927 3.837 3.952 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.838 4.721 6.621 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.559 3.128 6.504 1.00 0.00 H new ATOM 0 HG SER A 2 -20.668 3.953 4.545 1.00 0.00 H new ATOM 19 N SER A 3 -25.246 3.429 4.682 1.00 0.00 N ATOM 20 CA SER A 3 -26.640 3.205 5.046 1.00 0.00 C ATOM 21 C SER A 3 -26.926 1.714 5.206 1.00 0.00 C ATOM 22 O SER A 3 -26.300 0.877 4.557 1.00 0.00 O ATOM 23 CB SER A 3 -27.569 3.803 3.987 1.00 0.00 C ATOM 24 OG SER A 3 -27.747 5.193 4.193 1.00 0.00 O ATOM 0 H SER A 3 -24.922 2.874 3.890 1.00 0.00 H new ATOM 0 HA SER A 3 -26.824 3.698 6.000 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.154 3.629 2.994 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.536 3.300 4.021 1.00 0.00 H new ATOM 0 HG SER A 3 -28.343 5.552 3.503 1.00 0.00 H new ATOM 30 N GLY A 4 -27.879 1.391 6.076 1.00 0.00 N ATOM 31 CA GLY A 4 -28.232 0.002 6.306 1.00 0.00 C ATOM 32 C GLY A 4 -28.230 -0.360 7.778 1.00 0.00 C ATOM 33 O GLY A 4 -27.194 -0.724 8.334 1.00 0.00 O ATOM 0 H GLY A 4 -28.412 2.066 6.625 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -29.220 -0.193 5.888 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.529 -0.641 5.776 1.00 0.00 H new ATOM 37 N SER A 5 -29.394 -0.258 8.413 1.00 0.00 N ATOM 38 CA SER A 5 -29.522 -0.572 9.831 1.00 0.00 C ATOM 39 C SER A 5 -28.762 -1.850 10.174 1.00 0.00 C ATOM 40 O SER A 5 -28.052 -1.912 11.178 1.00 0.00 O ATOM 41 CB SER A 5 -30.996 -0.724 10.211 1.00 0.00 C ATOM 42 OG SER A 5 -31.579 -1.837 9.556 1.00 0.00 O ATOM 0 H SER A 5 -30.262 0.040 7.967 1.00 0.00 H new ATOM 0 HA SER A 5 -29.091 0.251 10.401 1.00 0.00 H new ATOM 0 HB2 SER A 5 -31.086 -0.845 11.291 1.00 0.00 H new ATOM 0 HB3 SER A 5 -31.539 0.183 9.946 1.00 0.00 H new ATOM 0 HG SER A 5 -32.521 -1.914 9.817 1.00 0.00 H new ATOM 48 N SER A 6 -28.917 -2.868 9.333 1.00 0.00 N ATOM 49 CA SER A 6 -28.249 -4.146 9.549 1.00 0.00 C ATOM 50 C SER A 6 -26.740 -3.958 9.665 1.00 0.00 C ATOM 51 O SER A 6 -26.111 -4.453 10.600 1.00 0.00 O ATOM 52 CB SER A 6 -28.568 -5.111 8.405 1.00 0.00 C ATOM 53 OG SER A 6 -29.760 -5.832 8.664 1.00 0.00 O ATOM 0 H SER A 6 -29.499 -2.832 8.496 1.00 0.00 H new ATOM 0 HA SER A 6 -28.617 -4.567 10.484 1.00 0.00 H new ATOM 0 HB2 SER A 6 -28.671 -4.554 7.473 1.00 0.00 H new ATOM 0 HB3 SER A 6 -27.740 -5.807 8.271 1.00 0.00 H new ATOM 0 HG SER A 6 -29.943 -6.440 7.918 1.00 0.00 H new ATOM 59 N GLY A 7 -26.164 -3.237 8.708 1.00 0.00 N ATOM 60 CA GLY A 7 -24.733 -2.996 8.720 1.00 0.00 C ATOM 61 C GLY A 7 -23.991 -3.858 7.718 1.00 0.00 C ATOM 62 O GLY A 7 -23.513 -3.365 6.695 1.00 0.00 O ATOM 0 H GLY A 7 -26.663 -2.815 7.925 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -24.543 -1.945 8.502 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -24.344 -3.189 9.720 1.00 0.00 H new ATOM 66 N THR A 8 -23.891 -5.151 8.011 1.00 0.00 N ATOM 67 CA THR A 8 -23.199 -6.083 7.130 1.00 0.00 C ATOM 68 C THR A 8 -24.117 -7.225 6.709 1.00 0.00 C ATOM 69 O THR A 8 -24.524 -8.044 7.534 1.00 0.00 O ATOM 70 CB THR A 8 -21.945 -6.670 7.806 1.00 0.00 C ATOM 71 OG1 THR A 8 -21.404 -7.725 7.004 1.00 0.00 O ATOM 72 CG2 THR A 8 -22.276 -7.200 9.194 1.00 0.00 C ATOM 0 H THR A 8 -24.281 -5.576 8.852 1.00 0.00 H new ATOM 0 HA THR A 8 -22.896 -5.519 6.248 1.00 0.00 H new ATOM 0 HB THR A 8 -21.207 -5.874 7.904 1.00 0.00 H new ATOM 0 HG1 THR A 8 -20.607 -8.091 7.440 1.00 0.00 H new ATOM 0 HG21 THR A 8 -21.375 -7.609 9.651 1.00 0.00 H new ATOM 0 HG22 THR A 8 -22.660 -6.388 9.812 1.00 0.00 H new ATOM 0 HG23 THR A 8 -23.030 -7.983 9.114 1.00 0.00 H new ATOM 80 N SER A 9 -24.438 -7.275 5.420 1.00 0.00 N ATOM 81 CA SER A 9 -25.311 -8.316 4.890 1.00 0.00 C ATOM 82 C SER A 9 -24.701 -8.954 3.645 1.00 0.00 C ATOM 83 O SER A 9 -24.408 -10.150 3.628 1.00 0.00 O ATOM 84 CB SER A 9 -26.687 -7.737 4.557 1.00 0.00 C ATOM 85 OG SER A 9 -27.643 -8.767 4.373 1.00 0.00 O ATOM 0 H SER A 9 -24.107 -6.607 4.724 1.00 0.00 H new ATOM 0 HA SER A 9 -25.424 -9.085 5.654 1.00 0.00 H new ATOM 0 HB2 SER A 9 -27.011 -7.075 5.361 1.00 0.00 H new ATOM 0 HB3 SER A 9 -26.621 -7.132 3.653 1.00 0.00 H new ATOM 0 HG SER A 9 -28.514 -8.371 4.163 1.00 0.00 H new ATOM 91 N ILE A 10 -24.512 -8.148 2.607 1.00 0.00 N ATOM 92 CA ILE A 10 -23.936 -8.632 1.358 1.00 0.00 C ATOM 93 C ILE A 10 -22.823 -9.640 1.621 1.00 0.00 C ATOM 94 O ILE A 10 -22.068 -9.512 2.586 1.00 0.00 O ATOM 95 CB ILE A 10 -23.376 -7.475 0.510 1.00 0.00 C ATOM 96 CG1 ILE A 10 -22.882 -7.997 -0.841 1.00 0.00 C ATOM 97 CG2 ILE A 10 -22.253 -6.769 1.254 1.00 0.00 C ATOM 98 CD1 ILE A 10 -23.996 -8.461 -1.753 1.00 0.00 C ATOM 0 H ILE A 10 -24.749 -7.156 2.605 1.00 0.00 H new ATOM 0 HA ILE A 10 -24.741 -9.118 0.807 1.00 0.00 H new ATOM 0 HB ILE A 10 -24.175 -6.756 0.330 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -22.318 -7.210 -1.341 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -22.193 -8.825 -0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -21.867 -5.954 0.642 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -22.634 -6.369 2.193 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -21.451 -7.478 1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -23.573 -8.818 -2.692 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -24.546 -9.270 -1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -24.673 -7.630 -1.952 1.00 0.00 H new ATOM 110 N THR A 11 -22.724 -10.644 0.755 1.00 0.00 N ATOM 111 CA THR A 11 -21.702 -11.674 0.893 1.00 0.00 C ATOM 112 C THR A 11 -20.791 -11.712 -0.329 1.00 0.00 C ATOM 113 O THR A 11 -21.004 -12.478 -1.268 1.00 0.00 O ATOM 114 CB THR A 11 -22.332 -13.066 1.093 1.00 0.00 C ATOM 115 OG1 THR A 11 -23.308 -13.313 0.074 1.00 0.00 O ATOM 116 CG2 THR A 11 -22.983 -13.174 2.463 1.00 0.00 C ATOM 0 H THR A 11 -23.339 -10.766 -0.049 1.00 0.00 H new ATOM 0 HA THR A 11 -21.113 -11.419 1.774 1.00 0.00 H new ATOM 0 HB THR A 11 -21.540 -13.812 1.025 1.00 0.00 H new ATOM 0 HG1 THR A 11 -22.923 -13.111 -0.804 1.00 0.00 H new ATOM 0 HG21 THR A 11 -23.421 -14.165 2.581 1.00 0.00 H new ATOM 0 HG22 THR A 11 -22.232 -13.015 3.236 1.00 0.00 H new ATOM 0 HG23 THR A 11 -23.764 -12.419 2.555 1.00 0.00 H new ATOM 124 N PRO A 12 -19.751 -10.865 -0.318 1.00 0.00 N ATOM 125 CA PRO A 12 -18.786 -10.783 -1.418 1.00 0.00 C ATOM 126 C PRO A 12 -17.902 -12.023 -1.507 1.00 0.00 C ATOM 127 O PRO A 12 -17.884 -12.851 -0.596 1.00 0.00 O ATOM 128 CB PRO A 12 -17.947 -9.553 -1.063 1.00 0.00 C ATOM 129 CG PRO A 12 -18.060 -9.432 0.417 1.00 0.00 C ATOM 130 CD PRO A 12 -19.437 -9.923 0.769 1.00 0.00 C ATOM 0 HA PRO A 12 -19.278 -10.715 -2.388 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -16.909 -9.679 -1.372 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -18.322 -8.660 -1.563 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -17.295 -10.026 0.917 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -17.921 -8.399 0.736 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -19.452 -10.413 1.742 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -20.156 -9.105 0.813 1.00 0.00 H new ATOM 138 N SER A 13 -17.169 -12.144 -2.609 1.00 0.00 N ATOM 139 CA SER A 13 -16.285 -13.285 -2.818 1.00 0.00 C ATOM 140 C SER A 13 -14.888 -12.823 -3.221 1.00 0.00 C ATOM 141 O SER A 13 -14.630 -11.626 -3.347 1.00 0.00 O ATOM 142 CB SER A 13 -16.858 -14.211 -3.893 1.00 0.00 C ATOM 143 OG SER A 13 -17.888 -15.029 -3.365 1.00 0.00 O ATOM 0 H SER A 13 -17.170 -11.466 -3.371 1.00 0.00 H new ATOM 0 HA SER A 13 -16.211 -13.833 -1.879 1.00 0.00 H new ATOM 0 HB2 SER A 13 -17.249 -13.617 -4.719 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.064 -14.837 -4.299 1.00 0.00 H new ATOM 0 HG SER A 13 -18.239 -15.610 -4.072 1.00 0.00 H new ATOM 149 N SER A 14 -13.990 -13.782 -3.421 1.00 0.00 N ATOM 150 CA SER A 14 -12.617 -13.475 -3.806 1.00 0.00 C ATOM 151 C SER A 14 -12.587 -12.487 -4.968 1.00 0.00 C ATOM 152 O SER A 14 -12.795 -12.863 -6.121 1.00 0.00 O ATOM 153 CB SER A 14 -11.874 -14.755 -4.191 1.00 0.00 C ATOM 154 OG SER A 14 -12.466 -15.367 -5.325 1.00 0.00 O ATOM 0 H SER A 14 -14.188 -14.778 -3.323 1.00 0.00 H new ATOM 0 HA SER A 14 -12.119 -13.019 -2.950 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.830 -14.524 -4.402 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.883 -15.451 -3.352 1.00 0.00 H new ATOM 0 HG SER A 14 -12.736 -14.676 -5.966 1.00 0.00 H new ATOM 160 N GLN A 15 -12.326 -11.222 -4.655 1.00 0.00 N ATOM 161 CA GLN A 15 -12.269 -10.179 -5.672 1.00 0.00 C ATOM 162 C GLN A 15 -11.016 -9.325 -5.507 1.00 0.00 C ATOM 163 O GLN A 15 -10.614 -9.004 -4.389 1.00 0.00 O ATOM 164 CB GLN A 15 -13.516 -9.296 -5.598 1.00 0.00 C ATOM 165 CG GLN A 15 -14.679 -9.814 -6.428 1.00 0.00 C ATOM 166 CD GLN A 15 -16.021 -9.327 -5.919 1.00 0.00 C ATOM 167 OE1 GLN A 15 -16.091 -8.490 -5.019 1.00 0.00 O ATOM 168 NE2 GLN A 15 -17.098 -9.850 -6.495 1.00 0.00 N ATOM 0 H GLN A 15 -12.151 -10.895 -3.705 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.232 -10.661 -6.649 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.831 -9.214 -4.558 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.260 -8.291 -5.934 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.551 -9.498 -7.463 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.667 -10.904 -6.424 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -16.994 -10.541 -7.238 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -18.029 -9.560 -6.194 1.00 0.00 H new ATOM 177 N ASP A 16 -10.402 -8.962 -6.628 1.00 0.00 N ATOM 178 CA ASP A 16 -9.195 -8.144 -6.608 1.00 0.00 C ATOM 179 C ASP A 16 -9.533 -6.671 -6.810 1.00 0.00 C ATOM 180 O ASP A 16 -9.676 -6.206 -7.941 1.00 0.00 O ATOM 181 CB ASP A 16 -8.220 -8.610 -7.691 1.00 0.00 C ATOM 182 CG ASP A 16 -8.251 -10.113 -7.891 1.00 0.00 C ATOM 183 OD1 ASP A 16 -9.233 -10.613 -8.477 1.00 0.00 O ATOM 184 OD2 ASP A 16 -7.293 -10.788 -7.460 1.00 0.00 O ATOM 0 H ASP A 16 -10.720 -9.221 -7.562 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.724 -8.259 -5.632 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -8.464 -8.116 -8.632 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.209 -8.303 -7.422 1.00 0.00 H new ATOM 189 N ILE A 17 -9.659 -5.941 -5.706 1.00 0.00 N ATOM 190 CA ILE A 17 -9.980 -4.521 -5.763 1.00 0.00 C ATOM 191 C ILE A 17 -9.081 -3.717 -4.830 1.00 0.00 C ATOM 192 O ILE A 17 -8.479 -4.264 -3.906 1.00 0.00 O ATOM 193 CB ILE A 17 -11.452 -4.261 -5.390 1.00 0.00 C ATOM 194 CG1 ILE A 17 -11.825 -5.039 -4.126 1.00 0.00 C ATOM 195 CG2 ILE A 17 -12.366 -4.643 -6.544 1.00 0.00 C ATOM 196 CD1 ILE A 17 -11.678 -4.233 -2.855 1.00 0.00 C ATOM 0 H ILE A 17 -9.544 -6.310 -4.762 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.812 -4.200 -6.791 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.579 -3.197 -5.189 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -12.856 -5.383 -4.212 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -11.198 -5.928 -4.058 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -13.403 -4.454 -6.265 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.112 -4.049 -7.422 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.240 -5.701 -6.773 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.959 -4.848 -2.000 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -10.642 -3.912 -2.746 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.326 -3.358 -2.902 1.00 0.00 H new ATOM 208 N CYS A 18 -8.996 -2.414 -5.077 1.00 0.00 N ATOM 209 CA CYS A 18 -8.172 -1.532 -4.259 1.00 0.00 C ATOM 210 C CYS A 18 -8.213 -1.954 -2.793 1.00 0.00 C ATOM 211 O CYS A 18 -9.164 -2.597 -2.348 1.00 0.00 O ATOM 212 CB CYS A 18 -8.645 -0.084 -4.397 1.00 0.00 C ATOM 213 SG CYS A 18 -7.452 1.150 -3.787 1.00 0.00 S ATOM 0 H CYS A 18 -9.488 -1.945 -5.838 1.00 0.00 H new ATOM 0 HA CYS A 18 -7.143 -1.606 -4.612 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.857 0.119 -5.447 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -9.583 0.034 -3.854 1.00 0.00 H new ATOM 218 N ARG A 19 -7.175 -1.589 -2.048 1.00 0.00 N ATOM 219 CA ARG A 19 -7.091 -1.930 -0.634 1.00 0.00 C ATOM 220 C ARG A 19 -7.204 -0.681 0.235 1.00 0.00 C ATOM 221 O ARG A 19 -7.398 -0.771 1.448 1.00 0.00 O ATOM 222 CB ARG A 19 -5.775 -2.652 -0.338 1.00 0.00 C ATOM 223 CG ARG A 19 -4.592 -1.713 -0.163 1.00 0.00 C ATOM 224 CD ARG A 19 -3.526 -2.322 0.735 1.00 0.00 C ATOM 225 NE ARG A 19 -3.719 -1.956 2.136 1.00 0.00 N ATOM 226 CZ ARG A 19 -3.263 -0.829 2.671 1.00 0.00 C ATOM 227 NH1 ARG A 19 -2.592 0.039 1.926 1.00 0.00 N ATOM 228 NH2 ARG A 19 -3.478 -0.567 3.954 1.00 0.00 N ATOM 0 H ARG A 19 -6.380 -1.057 -2.401 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.923 -2.593 -0.397 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.893 -3.248 0.567 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.560 -3.346 -1.151 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.161 -1.484 -1.137 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.934 -0.770 0.264 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.546 -3.407 0.637 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.541 -1.990 0.406 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.232 -2.601 2.736 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.425 -0.158 0.939 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.243 0.904 2.340 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.994 -1.231 4.531 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.127 0.299 4.363 1.00 0.00 H new ATOM 242 N ILE A 20 -7.082 0.484 -0.394 1.00 0.00 N ATOM 243 CA ILE A 20 -7.172 1.750 0.322 1.00 0.00 C ATOM 244 C ILE A 20 -8.577 2.335 0.230 1.00 0.00 C ATOM 245 O ILE A 20 -9.114 2.845 1.214 1.00 0.00 O ATOM 246 CB ILE A 20 -6.164 2.778 -0.226 1.00 0.00 C ATOM 247 CG1 ILE A 20 -4.733 2.262 -0.058 1.00 0.00 C ATOM 248 CG2 ILE A 20 -6.336 4.116 0.479 1.00 0.00 C ATOM 249 CD1 ILE A 20 -3.698 3.107 -0.767 1.00 0.00 C ATOM 0 H ILE A 20 -6.921 0.577 -1.397 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.936 1.540 1.365 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.356 2.922 -1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.492 2.223 1.004 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.677 1.241 -0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.617 4.832 0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.347 4.487 0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.167 3.988 1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.708 2.682 -0.604 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.914 3.126 -1.835 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.726 4.123 -0.373 1.00 0.00 H new ATOM 261 N CYS A 21 -9.169 2.257 -0.957 1.00 0.00 N ATOM 262 CA CYS A 21 -10.513 2.777 -1.178 1.00 0.00 C ATOM 263 C CYS A 21 -11.511 1.639 -1.373 1.00 0.00 C ATOM 264 O CYS A 21 -12.706 1.797 -1.122 1.00 0.00 O ATOM 265 CB CYS A 21 -10.531 3.700 -2.398 1.00 0.00 C ATOM 266 SG CYS A 21 -10.455 2.824 -3.994 1.00 0.00 S ATOM 0 H CYS A 21 -8.739 1.838 -1.781 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.805 3.346 -0.296 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.438 4.304 -2.370 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.688 4.388 -2.333 1.00 0.00 H new ATOM 271 N HIS A 22 -11.011 0.491 -1.821 1.00 0.00 N ATOM 272 CA HIS A 22 -11.859 -0.674 -2.048 1.00 0.00 C ATOM 273 C HIS A 22 -12.850 -0.413 -3.178 1.00 0.00 C ATOM 274 O HIS A 22 -14.060 -0.558 -3.000 1.00 0.00 O ATOM 275 CB HIS A 22 -12.610 -1.042 -0.769 1.00 0.00 C ATOM 276 CG HIS A 22 -11.710 -1.336 0.391 1.00 0.00 C ATOM 277 ND1 HIS A 22 -11.808 -0.686 1.604 1.00 0.00 N ATOM 278 CD2 HIS A 22 -10.691 -2.218 0.520 1.00 0.00 C ATOM 279 CE1 HIS A 22 -10.887 -1.155 2.427 1.00 0.00 C ATOM 280 NE2 HIS A 22 -10.196 -2.086 1.794 1.00 0.00 N ATOM 0 H HIS A 22 -10.024 0.343 -2.034 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.219 -1.508 -2.336 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -13.278 -0.223 -0.501 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -13.236 -1.913 -0.963 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.334 -2.899 -0.238 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.726 -0.832 3.445 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.421 -2.620 2.187 1.00 0.00 H new ATOM 288 N CYS A 23 -12.330 -0.026 -4.337 1.00 0.00 N ATOM 289 CA CYS A 23 -13.170 0.258 -5.495 1.00 0.00 C ATOM 290 C CYS A 23 -12.575 -0.351 -6.761 1.00 0.00 C ATOM 291 O CYS A 23 -11.366 -0.564 -6.849 1.00 0.00 O ATOM 292 CB CYS A 23 -13.340 1.767 -5.671 1.00 0.00 C ATOM 293 SG CYS A 23 -14.347 2.552 -4.391 1.00 0.00 S ATOM 0 H CYS A 23 -11.331 0.098 -4.500 1.00 0.00 H new ATOM 0 HA CYS A 23 -14.148 -0.192 -5.322 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -12.355 2.234 -5.680 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.793 1.960 -6.643 1.00 0.00 H new ATOM 0 HG CYS A 23 -14.557 1.707 -3.425 1.00 0.00 H new ATOM 299 N GLU A 24 -13.433 -0.629 -7.738 1.00 0.00 N ATOM 300 CA GLU A 24 -12.991 -1.215 -8.997 1.00 0.00 C ATOM 301 C GLU A 24 -11.780 -0.469 -9.550 1.00 0.00 C ATOM 302 O GLU A 24 -11.614 0.727 -9.314 1.00 0.00 O ATOM 303 CB GLU A 24 -14.127 -1.195 -10.022 1.00 0.00 C ATOM 304 CG GLU A 24 -14.982 -2.451 -10.007 1.00 0.00 C ATOM 305 CD GLU A 24 -15.975 -2.494 -11.153 1.00 0.00 C ATOM 306 OE1 GLU A 24 -17.098 -1.975 -10.985 1.00 0.00 O ATOM 307 OE2 GLU A 24 -15.628 -3.048 -12.217 1.00 0.00 O ATOM 0 H GLU A 24 -14.437 -0.458 -7.681 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.703 -2.248 -8.805 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.763 -0.331 -9.831 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.704 -1.065 -11.018 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.335 -3.327 -10.058 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.521 -2.508 -9.061 1.00 0.00 H new ATOM 314 N GLY A 25 -10.936 -1.184 -10.287 1.00 0.00 N ATOM 315 CA GLY A 25 -9.751 -0.574 -10.861 1.00 0.00 C ATOM 316 C GLY A 25 -10.075 0.331 -12.033 1.00 0.00 C ATOM 317 O GLY A 25 -10.905 -0.008 -12.876 1.00 0.00 O ATOM 0 H GLY A 25 -11.052 -2.175 -10.497 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.234 0.002 -10.093 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.066 -1.356 -11.188 1.00 0.00 H new ATOM 321 N ASP A 26 -9.419 1.485 -12.086 1.00 0.00 N ATOM 322 CA ASP A 26 -9.642 2.442 -13.163 1.00 0.00 C ATOM 323 C ASP A 26 -8.602 2.272 -14.265 1.00 0.00 C ATOM 324 O ASP A 26 -7.576 1.619 -14.069 1.00 0.00 O ATOM 325 CB ASP A 26 -9.600 3.872 -12.621 1.00 0.00 C ATOM 326 CG ASP A 26 -10.746 4.166 -11.673 1.00 0.00 C ATOM 327 OD1 ASP A 26 -11.876 4.387 -12.159 1.00 0.00 O ATOM 328 OD2 ASP A 26 -10.514 4.175 -10.447 1.00 0.00 O ATOM 0 H ASP A 26 -8.729 1.780 -11.396 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.628 2.251 -13.586 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.654 4.034 -12.104 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.632 4.574 -13.454 1.00 0.00 H new ATOM 333 N ASP A 27 -8.873 2.862 -15.424 1.00 0.00 N ATOM 334 CA ASP A 27 -7.960 2.776 -16.558 1.00 0.00 C ATOM 335 C ASP A 27 -6.637 3.467 -16.245 1.00 0.00 C ATOM 336 O ASP A 27 -5.567 2.957 -16.574 1.00 0.00 O ATOM 337 CB ASP A 27 -8.596 3.403 -17.800 1.00 0.00 C ATOM 338 CG ASP A 27 -9.761 2.589 -18.328 1.00 0.00 C ATOM 339 OD1 ASP A 27 -10.899 2.816 -17.868 1.00 0.00 O ATOM 340 OD2 ASP A 27 -9.534 1.725 -19.201 1.00 0.00 O ATOM 0 H ASP A 27 -9.718 3.405 -15.603 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.761 1.722 -16.753 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.939 4.409 -17.560 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.842 3.501 -18.581 1.00 0.00 H new ATOM 345 N GLU A 28 -6.719 4.631 -15.607 1.00 0.00 N ATOM 346 CA GLU A 28 -5.528 5.392 -15.252 1.00 0.00 C ATOM 347 C GLU A 28 -5.027 5.002 -13.864 1.00 0.00 C ATOM 348 O GLU A 28 -3.839 5.121 -13.565 1.00 0.00 O ATOM 349 CB GLU A 28 -5.822 6.893 -15.297 1.00 0.00 C ATOM 350 CG GLU A 28 -6.089 7.419 -16.697 1.00 0.00 C ATOM 351 CD GLU A 28 -5.942 8.925 -16.792 1.00 0.00 C ATOM 352 OE1 GLU A 28 -4.849 9.437 -16.473 1.00 0.00 O ATOM 353 OE2 GLU A 28 -6.922 9.592 -17.186 1.00 0.00 O ATOM 0 H GLU A 28 -7.597 5.067 -15.326 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.750 5.160 -15.979 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.686 7.104 -14.668 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.977 7.433 -14.870 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.400 6.946 -17.396 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.097 7.136 -17.001 1.00 0.00 H new ATOM 360 N SER A 29 -5.943 4.537 -13.020 1.00 0.00 N ATOM 361 CA SER A 29 -5.597 4.134 -11.662 1.00 0.00 C ATOM 362 C SER A 29 -5.926 2.662 -11.432 1.00 0.00 C ATOM 363 O SER A 29 -6.630 2.297 -10.490 1.00 0.00 O ATOM 364 CB SER A 29 -6.342 5.000 -10.644 1.00 0.00 C ATOM 365 OG SER A 29 -5.921 6.352 -10.720 1.00 0.00 O ATOM 0 H SER A 29 -6.930 4.430 -13.253 1.00 0.00 H new ATOM 0 HA SER A 29 -4.524 4.274 -11.530 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.415 4.939 -10.826 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.167 4.617 -9.639 1.00 0.00 H new ATOM 0 HG SER A 29 -6.413 6.885 -10.061 1.00 0.00 H new ATOM 371 N PRO A 30 -5.406 1.796 -12.313 1.00 0.00 N ATOM 372 CA PRO A 30 -5.630 0.349 -12.228 1.00 0.00 C ATOM 373 C PRO A 30 -4.913 -0.279 -11.037 1.00 0.00 C ATOM 374 O PRO A 30 -4.133 0.381 -10.350 1.00 0.00 O ATOM 375 CB PRO A 30 -5.048 -0.178 -13.541 1.00 0.00 C ATOM 376 CG PRO A 30 -4.031 0.836 -13.939 1.00 0.00 C ATOM 377 CD PRO A 30 -4.557 2.160 -13.460 1.00 0.00 C ATOM 0 HA PRO A 30 -6.683 0.107 -12.086 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.596 -1.161 -13.407 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.821 -0.284 -14.302 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.063 0.615 -13.489 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.887 0.841 -15.019 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.749 2.830 -13.165 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.127 2.670 -14.236 1.00 0.00 H new ATOM 385 N LEU A 31 -5.181 -1.558 -10.799 1.00 0.00 N ATOM 386 CA LEU A 31 -4.561 -2.277 -9.692 1.00 0.00 C ATOM 387 C LEU A 31 -3.146 -2.717 -10.053 1.00 0.00 C ATOM 388 O LEU A 31 -2.956 -3.623 -10.865 1.00 0.00 O ATOM 389 CB LEU A 31 -5.405 -3.494 -9.311 1.00 0.00 C ATOM 390 CG LEU A 31 -6.885 -3.225 -9.035 1.00 0.00 C ATOM 391 CD1 LEU A 31 -7.648 -4.533 -8.895 1.00 0.00 C ATOM 392 CD2 LEU A 31 -7.047 -2.374 -7.784 1.00 0.00 C ATOM 0 H LEU A 31 -5.824 -2.119 -11.358 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.505 -1.601 -8.839 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.333 -4.227 -10.115 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.968 -3.951 -8.423 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.299 -2.676 -9.880 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.699 -4.322 -8.699 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.559 -5.107 -9.818 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.233 -5.109 -8.068 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.106 -2.192 -7.602 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.617 -2.897 -6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.534 -1.422 -7.922 1.00 0.00 H new ATOM 404 N ILE A 32 -2.157 -2.073 -9.442 1.00 0.00 N ATOM 405 CA ILE A 32 -0.760 -2.401 -9.697 1.00 0.00 C ATOM 406 C ILE A 32 -0.017 -2.691 -8.397 1.00 0.00 C ATOM 407 O ILE A 32 -0.442 -2.272 -7.319 1.00 0.00 O ATOM 408 CB ILE A 32 -0.041 -1.262 -10.443 1.00 0.00 C ATOM 409 CG1 ILE A 32 -0.281 0.072 -9.734 1.00 0.00 C ATOM 410 CG2 ILE A 32 -0.515 -1.193 -11.887 1.00 0.00 C ATOM 411 CD1 ILE A 32 0.745 1.131 -10.075 1.00 0.00 C ATOM 0 H ILE A 32 -2.298 -1.321 -8.767 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.755 -3.294 -10.323 1.00 0.00 H new ATOM 0 HB ILE A 32 1.030 -1.465 -10.442 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.273 0.441 -9.997 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.277 -0.093 -8.657 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.002 -0.383 -12.401 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.298 -2.137 -12.387 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.589 -1.009 -11.909 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.512 2.050 -9.537 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.737 0.783 -9.787 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.726 1.324 -11.148 1.00 0.00 H new ATOM 423 N THR A 33 1.097 -3.409 -8.505 1.00 0.00 N ATOM 424 CA THR A 33 1.900 -3.753 -7.339 1.00 0.00 C ATOM 425 C THR A 33 2.890 -2.644 -7.006 1.00 0.00 C ATOM 426 O THR A 33 3.830 -2.372 -7.753 1.00 0.00 O ATOM 427 CB THR A 33 2.673 -5.068 -7.558 1.00 0.00 C ATOM 428 OG1 THR A 33 3.243 -5.087 -8.872 1.00 0.00 O ATOM 429 CG2 THR A 33 1.759 -6.270 -7.378 1.00 0.00 C ATOM 0 H THR A 33 1.463 -3.763 -9.389 1.00 0.00 H new ATOM 0 HA THR A 33 1.209 -3.880 -6.506 1.00 0.00 H new ATOM 0 HB THR A 33 3.469 -5.124 -6.816 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.666 -4.223 -9.058 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.327 -7.186 -7.538 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.350 -6.268 -6.368 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.944 -6.218 -8.100 1.00 0.00 H new ATOM 437 N PRO A 34 2.679 -1.986 -5.856 1.00 0.00 N ATOM 438 CA PRO A 34 3.544 -0.895 -5.397 1.00 0.00 C ATOM 439 C PRO A 34 4.924 -1.389 -4.974 1.00 0.00 C ATOM 440 O PRO A 34 5.935 -0.741 -5.245 1.00 0.00 O ATOM 441 CB PRO A 34 2.788 -0.326 -4.194 1.00 0.00 C ATOM 442 CG PRO A 34 1.955 -1.457 -3.699 1.00 0.00 C ATOM 443 CD PRO A 34 1.578 -2.257 -4.915 1.00 0.00 C ATOM 0 HA PRO A 34 3.732 -0.165 -6.184 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.476 0.025 -3.425 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.170 0.525 -4.481 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.510 -2.068 -2.987 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.068 -1.091 -3.182 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.496 -3.320 -4.687 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.616 -1.943 -5.320 1.00 0.00 H new ATOM 451 N CYS A 35 4.958 -2.539 -4.311 1.00 0.00 N ATOM 452 CA CYS A 35 6.213 -3.120 -3.851 1.00 0.00 C ATOM 453 C CYS A 35 6.178 -4.642 -3.952 1.00 0.00 C ATOM 454 O CYS A 35 5.217 -5.219 -4.462 1.00 0.00 O ATOM 455 CB CYS A 35 6.494 -2.701 -2.406 1.00 0.00 C ATOM 456 SG CYS A 35 5.162 -3.121 -1.238 1.00 0.00 S ATOM 0 H CYS A 35 4.130 -3.088 -4.080 1.00 0.00 H new ATOM 0 HA CYS A 35 7.012 -2.749 -4.493 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.417 -3.176 -2.074 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.662 -1.624 -2.377 1.00 0.00 H new ATOM 461 N HIS A 36 7.233 -5.287 -3.464 1.00 0.00 N ATOM 462 CA HIS A 36 7.322 -6.743 -3.498 1.00 0.00 C ATOM 463 C HIS A 36 6.297 -7.373 -2.561 1.00 0.00 C ATOM 464 O HIS A 36 5.675 -8.383 -2.893 1.00 0.00 O ATOM 465 CB HIS A 36 8.730 -7.197 -3.112 1.00 0.00 C ATOM 466 CG HIS A 36 9.817 -6.431 -3.801 1.00 0.00 C ATOM 467 ND1 HIS A 36 10.368 -6.823 -5.003 1.00 0.00 N ATOM 468 CD2 HIS A 36 10.454 -5.289 -3.451 1.00 0.00 C ATOM 469 CE1 HIS A 36 11.298 -5.956 -5.362 1.00 0.00 C ATOM 470 NE2 HIS A 36 11.369 -5.015 -4.437 1.00 0.00 N ATOM 0 H HIS A 36 8.038 -4.825 -3.041 1.00 0.00 H new ATOM 0 HA HIS A 36 7.108 -7.072 -4.515 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.853 -7.095 -2.034 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.838 -8.256 -3.347 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.276 -4.703 -2.562 1.00 0.00 H new ATOM 0 HE1 HIS A 36 11.898 -6.008 -6.259 1.00 0.00 H new ATOM 0 HE2 HIS A 36 12.001 -4.215 -4.453 1.00 0.00 H new ATOM 478 N CYS A 37 6.125 -6.771 -1.389 1.00 0.00 N ATOM 479 CA CYS A 37 5.176 -7.273 -0.402 1.00 0.00 C ATOM 480 C CYS A 37 3.981 -7.932 -1.084 1.00 0.00 C ATOM 481 O CYS A 37 3.311 -7.320 -1.917 1.00 0.00 O ATOM 482 CB CYS A 37 4.699 -6.136 0.502 1.00 0.00 C ATOM 483 SG CYS A 37 5.976 -5.501 1.635 1.00 0.00 S ATOM 0 H CYS A 37 6.631 -5.934 -1.099 1.00 0.00 H new ATOM 0 HA CYS A 37 5.684 -8.022 0.206 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.341 -5.316 -0.121 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.849 -6.485 1.089 1.00 0.00 H new ATOM 488 N THR A 38 3.717 -9.185 -0.724 1.00 0.00 N ATOM 489 CA THR A 38 2.603 -9.927 -1.301 1.00 0.00 C ATOM 490 C THR A 38 1.701 -10.497 -0.213 1.00 0.00 C ATOM 491 O THR A 38 2.177 -11.080 0.760 1.00 0.00 O ATOM 492 CB THR A 38 3.099 -11.078 -2.196 1.00 0.00 C ATOM 493 OG1 THR A 38 1.983 -11.789 -2.743 1.00 0.00 O ATOM 494 CG2 THR A 38 3.981 -12.036 -1.408 1.00 0.00 C ATOM 0 H THR A 38 4.260 -9.707 -0.036 1.00 0.00 H new ATOM 0 HA THR A 38 2.035 -9.223 -1.909 1.00 0.00 H new ATOM 0 HB THR A 38 3.689 -10.650 -3.006 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.307 -12.518 -3.312 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.319 -12.840 -2.061 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.845 -11.498 -1.018 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.411 -12.457 -0.579 1.00 0.00 H new ATOM 502 N GLY A 39 0.394 -10.326 -0.384 1.00 0.00 N ATOM 503 CA GLY A 39 -0.555 -10.830 0.591 1.00 0.00 C ATOM 504 C GLY A 39 -1.920 -11.096 -0.011 1.00 0.00 C ATOM 505 O GLY A 39 -2.078 -11.997 -0.835 1.00 0.00 O ATOM 0 H GLY A 39 -0.025 -9.847 -1.181 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.168 -11.751 1.027 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.654 -10.110 1.403 1.00 0.00 H new ATOM 509 N SER A 40 -2.911 -10.311 0.401 1.00 0.00 N ATOM 510 CA SER A 40 -4.271 -10.470 -0.099 1.00 0.00 C ATOM 511 C SER A 40 -4.684 -9.266 -0.940 1.00 0.00 C ATOM 512 O SER A 40 -4.879 -9.377 -2.151 1.00 0.00 O ATOM 513 CB SER A 40 -5.247 -10.653 1.065 1.00 0.00 C ATOM 514 OG SER A 40 -5.028 -11.887 1.725 1.00 0.00 O ATOM 0 H SER A 40 -2.797 -9.558 1.080 1.00 0.00 H new ATOM 0 HA SER A 40 -4.299 -11.359 -0.730 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.131 -9.833 1.773 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.271 -10.612 0.695 1.00 0.00 H new ATOM 0 HG SER A 40 -5.663 -11.979 2.466 1.00 0.00 H new ATOM 520 N LEU A 41 -4.816 -8.116 -0.290 1.00 0.00 N ATOM 521 CA LEU A 41 -5.207 -6.889 -0.976 1.00 0.00 C ATOM 522 C LEU A 41 -3.991 -6.010 -1.253 1.00 0.00 C ATOM 523 O LEU A 41 -3.997 -4.814 -0.960 1.00 0.00 O ATOM 524 CB LEU A 41 -6.229 -6.117 -0.140 1.00 0.00 C ATOM 525 CG LEU A 41 -7.512 -6.869 0.215 1.00 0.00 C ATOM 526 CD1 LEU A 41 -8.134 -7.480 -1.031 1.00 0.00 C ATOM 527 CD2 LEU A 41 -7.229 -7.944 1.254 1.00 0.00 C ATOM 0 H LEU A 41 -4.658 -8.007 0.712 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.660 -7.163 -1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.748 -5.803 0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.501 -5.211 -0.681 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.222 -6.159 0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.046 -8.011 -0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.373 -6.690 -1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.430 -8.177 -1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.153 -8.469 1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.502 -8.652 0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.829 -7.482 2.156 1.00 0.00 H new ATOM 539 N HIS A 42 -2.951 -6.610 -1.822 1.00 0.00 N ATOM 540 CA HIS A 42 -1.729 -5.881 -2.142 1.00 0.00 C ATOM 541 C HIS A 42 -1.833 -5.223 -3.515 1.00 0.00 C ATOM 542 O HIS A 42 -0.886 -5.252 -4.302 1.00 0.00 O ATOM 543 CB HIS A 42 -0.524 -6.822 -2.105 1.00 0.00 C ATOM 544 CG HIS A 42 0.747 -6.186 -2.578 1.00 0.00 C ATOM 545 ND1 HIS A 42 1.357 -6.518 -3.770 1.00 0.00 N ATOM 546 CD2 HIS A 42 1.523 -5.232 -2.014 1.00 0.00 C ATOM 547 CE1 HIS A 42 2.454 -5.797 -3.917 1.00 0.00 C ATOM 548 NE2 HIS A 42 2.577 -5.008 -2.865 1.00 0.00 N ATOM 0 H HIS A 42 -2.930 -7.599 -2.071 1.00 0.00 H new ATOM 0 HA HIS A 42 -1.594 -5.100 -1.393 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -0.384 -7.180 -1.085 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -0.736 -7.695 -2.723 1.00 0.00 H new ATOM 0 HD2 HIS A 42 1.346 -4.738 -1.070 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.134 -5.845 -4.755 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.332 -4.340 -2.710 1.00 0.00 H new ATOM 556 N PHE A 43 -2.988 -4.630 -3.796 1.00 0.00 N ATOM 557 CA PHE A 43 -3.217 -3.966 -5.074 1.00 0.00 C ATOM 558 C PHE A 43 -3.885 -2.609 -4.870 1.00 0.00 C ATOM 559 O PHE A 43 -5.111 -2.508 -4.830 1.00 0.00 O ATOM 560 CB PHE A 43 -4.082 -4.843 -5.981 1.00 0.00 C ATOM 561 CG PHE A 43 -3.934 -6.313 -5.712 1.00 0.00 C ATOM 562 CD1 PHE A 43 -2.687 -6.915 -5.751 1.00 0.00 C ATOM 563 CD2 PHE A 43 -5.042 -7.093 -5.420 1.00 0.00 C ATOM 564 CE1 PHE A 43 -2.548 -8.268 -5.505 1.00 0.00 C ATOM 565 CE2 PHE A 43 -4.908 -8.446 -5.173 1.00 0.00 C ATOM 566 CZ PHE A 43 -3.660 -9.034 -5.215 1.00 0.00 C ATOM 0 H PHE A 43 -3.781 -4.596 -3.155 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.250 -3.807 -5.551 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.128 -4.562 -5.855 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.822 -4.644 -7.021 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.814 -6.321 -5.976 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.021 -6.638 -5.385 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.570 -8.726 -5.540 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.779 -9.043 -4.947 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.553 -10.091 -5.021 1.00 0.00 H new ATOM 576 N VAL A 44 -3.069 -1.568 -4.741 1.00 0.00 N ATOM 577 CA VAL A 44 -3.580 -0.217 -4.542 1.00 0.00 C ATOM 578 C VAL A 44 -3.630 0.551 -5.858 1.00 0.00 C ATOM 579 O VAL A 44 -2.927 0.216 -6.812 1.00 0.00 O ATOM 580 CB VAL A 44 -2.717 0.567 -3.535 1.00 0.00 C ATOM 581 CG1 VAL A 44 -2.293 -0.330 -2.383 1.00 0.00 C ATOM 582 CG2 VAL A 44 -1.503 1.167 -4.229 1.00 0.00 C ATOM 0 H VAL A 44 -2.052 -1.634 -4.771 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.590 -0.316 -4.144 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.315 1.382 -3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.684 0.241 -1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.178 -0.707 -1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.712 -1.168 -2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.904 1.717 -3.503 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.902 0.369 -4.665 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.832 1.845 -5.017 1.00 0.00 H new ATOM 592 N HIS A 45 -4.465 1.584 -5.902 1.00 0.00 N ATOM 593 CA HIS A 45 -4.607 2.402 -7.102 1.00 0.00 C ATOM 594 C HIS A 45 -3.427 3.358 -7.250 1.00 0.00 C ATOM 595 O HIS A 45 -3.047 4.041 -6.300 1.00 0.00 O ATOM 596 CB HIS A 45 -5.915 3.192 -7.055 1.00 0.00 C ATOM 597 CG HIS A 45 -7.128 2.360 -7.339 1.00 0.00 C ATOM 598 ND1 HIS A 45 -8.407 2.760 -7.017 1.00 0.00 N ATOM 599 CD2 HIS A 45 -7.250 1.144 -7.921 1.00 0.00 C ATOM 600 CE1 HIS A 45 -9.264 1.825 -7.386 1.00 0.00 C ATOM 601 NE2 HIS A 45 -8.588 0.834 -7.938 1.00 0.00 N ATOM 0 H HIS A 45 -5.053 1.875 -5.121 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.624 1.737 -7.965 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.019 3.648 -6.070 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.865 4.005 -7.779 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -8.653 3.640 -6.565 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.445 0.532 -8.301 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -10.336 1.864 -7.258 1.00 0.00 H new ATOM 609 N GLN A 46 -2.851 3.399 -8.448 1.00 0.00 N ATOM 610 CA GLN A 46 -1.714 4.269 -8.719 1.00 0.00 C ATOM 611 C GLN A 46 -1.895 5.627 -8.047 1.00 0.00 C ATOM 612 O GLN A 46 -0.949 6.189 -7.497 1.00 0.00 O ATOM 613 CB GLN A 46 -1.533 4.453 -10.226 1.00 0.00 C ATOM 614 CG GLN A 46 -0.555 5.558 -10.592 1.00 0.00 C ATOM 615 CD GLN A 46 -1.206 6.927 -10.622 1.00 0.00 C ATOM 616 OE1 GLN A 46 -2.386 7.059 -10.946 1.00 0.00 O ATOM 617 NE2 GLN A 46 -0.438 7.956 -10.282 1.00 0.00 N ATOM 0 H GLN A 46 -3.154 2.840 -9.245 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.822 3.797 -8.308 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.186 3.515 -10.659 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.501 4.673 -10.675 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.265 5.565 -9.873 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.121 5.345 -11.569 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.536 7.801 -10.020 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.822 8.901 -10.283 1.00 0.00 H new ATOM 626 N ALA A 47 -3.117 6.148 -8.097 1.00 0.00 N ATOM 627 CA ALA A 47 -3.423 7.438 -7.493 1.00 0.00 C ATOM 628 C ALA A 47 -3.529 7.322 -5.976 1.00 0.00 C ATOM 629 O ALA A 47 -2.791 7.978 -5.240 1.00 0.00 O ATOM 630 CB ALA A 47 -4.712 8.001 -8.073 1.00 0.00 C ATOM 0 H ALA A 47 -3.911 5.696 -8.550 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.606 8.122 -7.723 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.928 8.965 -7.612 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.601 8.130 -9.150 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.532 7.312 -7.873 1.00 0.00 H new ATOM 636 N CYS A 48 -4.452 6.485 -5.514 1.00 0.00 N ATOM 637 CA CYS A 48 -4.656 6.284 -4.085 1.00 0.00 C ATOM 638 C CYS A 48 -3.321 6.226 -3.348 1.00 0.00 C ATOM 639 O CYS A 48 -3.176 6.782 -2.258 1.00 0.00 O ATOM 640 CB CYS A 48 -5.444 4.996 -3.837 1.00 0.00 C ATOM 641 SG CYS A 48 -7.221 5.127 -4.218 1.00 0.00 S ATOM 0 H CYS A 48 -5.071 5.935 -6.109 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.226 7.130 -3.702 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.012 4.197 -4.439 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.328 4.707 -2.793 1.00 0.00 H new ATOM 646 N LEU A 49 -2.348 5.550 -3.949 1.00 0.00 N ATOM 647 CA LEU A 49 -1.024 5.419 -3.351 1.00 0.00 C ATOM 648 C LEU A 49 -0.524 6.765 -2.835 1.00 0.00 C ATOM 649 O LEU A 49 0.020 6.854 -1.735 1.00 0.00 O ATOM 650 CB LEU A 49 -0.036 4.852 -4.371 1.00 0.00 C ATOM 651 CG LEU A 49 1.421 4.760 -3.915 1.00 0.00 C ATOM 652 CD1 LEU A 49 1.530 3.930 -2.645 1.00 0.00 C ATOM 653 CD2 LEU A 49 2.288 4.169 -5.016 1.00 0.00 C ATOM 0 H LEU A 49 -2.451 5.084 -4.850 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.100 4.733 -2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.371 3.854 -4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.077 5.469 -5.268 1.00 0.00 H new ATOM 0 HG LEU A 49 1.779 5.767 -3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.573 3.875 -2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.941 4.395 -1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.154 2.924 -2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.321 4.111 -4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.931 3.169 -5.263 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.234 4.803 -5.901 1.00 0.00 H new ATOM 665 N GLN A 50 -0.716 7.808 -3.636 1.00 0.00 N ATOM 666 CA GLN A 50 -0.285 9.149 -3.259 1.00 0.00 C ATOM 667 C GLN A 50 -0.803 9.517 -1.872 1.00 0.00 C ATOM 668 O GLN A 50 -0.026 9.847 -0.977 1.00 0.00 O ATOM 669 CB GLN A 50 -0.772 10.172 -4.287 1.00 0.00 C ATOM 670 CG GLN A 50 -0.223 9.939 -5.685 1.00 0.00 C ATOM 671 CD GLN A 50 -1.010 10.673 -6.752 1.00 0.00 C ATOM 672 OE1 GLN A 50 -1.526 10.064 -7.689 1.00 0.00 O ATOM 673 NE2 GLN A 50 -1.107 11.991 -6.614 1.00 0.00 N ATOM 0 H GLN A 50 -1.167 7.750 -4.549 1.00 0.00 H new ATOM 0 HA GLN A 50 0.805 9.160 -3.235 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.861 10.147 -4.325 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.488 11.171 -3.956 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.818 10.261 -5.721 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.234 8.871 -5.902 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.663 12.455 -5.821 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.625 12.539 -7.301 1.00 0.00 H new ATOM 682 N GLN A 51 -2.120 9.459 -1.704 1.00 0.00 N ATOM 683 CA GLN A 51 -2.742 9.788 -0.426 1.00 0.00 C ATOM 684 C GLN A 51 -2.014 9.102 0.726 1.00 0.00 C ATOM 685 O GLN A 51 -1.768 9.711 1.767 1.00 0.00 O ATOM 686 CB GLN A 51 -4.215 9.376 -0.430 1.00 0.00 C ATOM 687 CG GLN A 51 -5.130 10.400 -1.083 1.00 0.00 C ATOM 688 CD GLN A 51 -4.628 10.850 -2.441 1.00 0.00 C ATOM 689 OE1 GLN A 51 -4.387 12.037 -2.664 1.00 0.00 O ATOM 690 NE2 GLN A 51 -4.468 9.902 -3.357 1.00 0.00 N ATOM 0 H GLN A 51 -2.777 9.188 -2.436 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.674 10.867 -0.285 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.316 8.425 -0.952 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.541 9.212 0.597 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.127 9.973 -1.192 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.224 11.267 -0.429 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.680 8.931 -3.128 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.133 10.145 -4.289 1.00 0.00 H new ATOM 699 N TRP A 52 -1.672 7.834 0.531 1.00 0.00 N ATOM 700 CA TRP A 52 -0.972 7.065 1.555 1.00 0.00 C ATOM 701 C TRP A 52 0.435 7.609 1.776 1.00 0.00 C ATOM 702 O TRP A 52 0.889 7.734 2.914 1.00 0.00 O ATOM 703 CB TRP A 52 -0.906 5.590 1.158 1.00 0.00 C ATOM 704 CG TRP A 52 -0.096 4.756 2.104 1.00 0.00 C ATOM 705 CD1 TRP A 52 -0.572 3.935 3.086 1.00 0.00 C ATOM 706 CD2 TRP A 52 1.332 4.664 2.158 1.00 0.00 C ATOM 707 NE1 TRP A 52 0.474 3.338 3.747 1.00 0.00 N ATOM 708 CE2 TRP A 52 1.653 3.768 3.196 1.00 0.00 C ATOM 709 CE3 TRP A 52 2.370 5.249 1.429 1.00 0.00 C ATOM 710 CZ2 TRP A 52 2.967 3.447 3.522 1.00 0.00 C ATOM 711 CZ3 TRP A 52 3.675 4.930 1.754 1.00 0.00 C ATOM 712 CH2 TRP A 52 3.964 4.035 2.792 1.00 0.00 C ATOM 0 H TRP A 52 -1.867 7.316 -0.326 1.00 0.00 H new ATOM 0 HA TRP A 52 -1.528 7.158 2.488 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -1.918 5.189 1.107 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -0.480 5.509 0.158 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.617 3.778 3.310 1.00 0.00 H new ATOM 0 HE1 TRP A 52 0.387 2.681 4.522 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.157 5.938 0.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 3.192 2.758 4.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 4.485 5.378 1.198 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.994 3.804 3.021 1.00 0.00 H new ATOM 723 N ILE A 53 1.119 7.929 0.684 1.00 0.00 N ATOM 724 CA ILE A 53 2.475 8.461 0.760 1.00 0.00 C ATOM 725 C ILE A 53 2.555 9.622 1.745 1.00 0.00 C ATOM 726 O ILE A 53 3.452 9.678 2.586 1.00 0.00 O ATOM 727 CB ILE A 53 2.972 8.935 -0.618 1.00 0.00 C ATOM 728 CG1 ILE A 53 3.134 7.744 -1.564 1.00 0.00 C ATOM 729 CG2 ILE A 53 4.286 9.689 -0.476 1.00 0.00 C ATOM 730 CD1 ILE A 53 3.662 8.124 -2.930 1.00 0.00 C ATOM 0 H ILE A 53 0.757 7.830 -0.265 1.00 0.00 H new ATOM 0 HA ILE A 53 3.114 7.649 1.107 1.00 0.00 H new ATOM 0 HB ILE A 53 2.231 9.612 -1.042 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.811 7.020 -1.111 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.170 7.250 -1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.625 10.018 -1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.140 10.557 0.167 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.036 9.033 -0.034 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.751 7.230 -3.547 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.975 8.825 -3.404 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.641 8.591 -2.825 1.00 0.00 H new ATOM 742 N LYS A 54 1.609 10.549 1.636 1.00 0.00 N ATOM 743 CA LYS A 54 1.569 11.709 2.518 1.00 0.00 C ATOM 744 C LYS A 54 1.157 11.306 3.930 1.00 0.00 C ATOM 745 O LYS A 54 1.623 11.884 4.912 1.00 0.00 O ATOM 746 CB LYS A 54 0.597 12.758 1.972 1.00 0.00 C ATOM 747 CG LYS A 54 0.909 13.195 0.552 1.00 0.00 C ATOM 748 CD LYS A 54 0.049 14.374 0.129 1.00 0.00 C ATOM 749 CE LYS A 54 0.511 15.666 0.787 1.00 0.00 C ATOM 750 NZ LYS A 54 1.746 16.201 0.150 1.00 0.00 N ATOM 0 H LYS A 54 0.859 10.519 0.945 1.00 0.00 H new ATOM 0 HA LYS A 54 2.571 12.137 2.559 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.415 12.355 2.005 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.614 13.631 2.624 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.962 13.466 0.477 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.745 12.361 -0.130 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.087 14.483 -0.955 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.991 14.181 0.394 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.283 16.410 0.723 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.696 15.488 1.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.981 17.123 0.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.532 15.539 0.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.588 16.315 -0.872 1.00 0.00 H new ATOM 764 N SER A 55 0.283 10.309 4.024 1.00 0.00 N ATOM 765 CA SER A 55 -0.193 9.829 5.317 1.00 0.00 C ATOM 766 C SER A 55 0.969 9.340 6.176 1.00 0.00 C ATOM 767 O SER A 55 1.190 9.835 7.281 1.00 0.00 O ATOM 768 CB SER A 55 -1.209 8.702 5.123 1.00 0.00 C ATOM 769 OG SER A 55 -2.466 9.213 4.712 1.00 0.00 O ATOM 0 H SER A 55 -0.110 9.818 3.221 1.00 0.00 H new ATOM 0 HA SER A 55 -0.677 10.660 5.830 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.838 7.998 4.378 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.325 8.148 6.055 1.00 0.00 H new ATOM 0 HG SER A 55 -2.427 9.453 3.763 1.00 0.00 H new ATOM 775 N SER A 56 1.708 8.363 5.660 1.00 0.00 N ATOM 776 CA SER A 56 2.845 7.803 6.380 1.00 0.00 C ATOM 777 C SER A 56 4.095 8.653 6.169 1.00 0.00 C ATOM 778 O SER A 56 5.217 8.185 6.361 1.00 0.00 O ATOM 779 CB SER A 56 3.109 6.367 5.922 1.00 0.00 C ATOM 780 OG SER A 56 2.382 5.439 6.710 1.00 0.00 O ATOM 0 H SER A 56 1.539 7.943 4.746 1.00 0.00 H new ATOM 0 HA SER A 56 2.604 7.800 7.443 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.828 6.258 4.874 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.175 6.150 5.990 1.00 0.00 H new ATOM 0 HG SER A 56 2.566 4.529 6.397 1.00 0.00 H new ATOM 786 N ASP A 57 3.891 9.904 5.773 1.00 0.00 N ATOM 787 CA ASP A 57 4.999 10.822 5.536 1.00 0.00 C ATOM 788 C ASP A 57 6.214 10.077 4.990 1.00 0.00 C ATOM 789 O ASP A 57 7.340 10.287 5.442 1.00 0.00 O ATOM 790 CB ASP A 57 5.371 11.551 6.828 1.00 0.00 C ATOM 791 CG ASP A 57 6.402 12.639 6.603 1.00 0.00 C ATOM 792 OD1 ASP A 57 6.189 13.483 5.708 1.00 0.00 O ATOM 793 OD2 ASP A 57 7.423 12.647 7.323 1.00 0.00 O ATOM 0 H ASP A 57 2.968 10.306 5.609 1.00 0.00 H new ATOM 0 HA ASP A 57 4.680 11.554 4.794 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.474 11.989 7.265 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.758 10.831 7.549 1.00 0.00 H new ATOM 798 N THR A 58 5.978 9.205 4.015 1.00 0.00 N ATOM 799 CA THR A 58 7.051 8.427 3.408 1.00 0.00 C ATOM 800 C THR A 58 6.707 8.040 1.975 1.00 0.00 C ATOM 801 O THR A 58 5.537 7.873 1.630 1.00 0.00 O ATOM 802 CB THR A 58 7.344 7.149 4.217 1.00 0.00 C ATOM 803 OG1 THR A 58 8.579 6.569 3.784 1.00 0.00 O ATOM 804 CG2 THR A 58 6.219 6.138 4.057 1.00 0.00 C ATOM 0 H THR A 58 5.052 9.020 3.628 1.00 0.00 H new ATOM 0 HA THR A 58 7.939 9.060 3.407 1.00 0.00 H new ATOM 0 HB THR A 58 7.420 7.420 5.270 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.760 5.758 4.304 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.448 5.244 4.637 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.285 6.573 4.414 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.116 5.871 3.005 1.00 0.00 H new ATOM 812 N ARG A 59 7.733 7.899 1.142 1.00 0.00 N ATOM 813 CA ARG A 59 7.539 7.532 -0.255 1.00 0.00 C ATOM 814 C ARG A 59 7.704 6.027 -0.450 1.00 0.00 C ATOM 815 O ARG A 59 6.960 5.404 -1.208 1.00 0.00 O ATOM 816 CB ARG A 59 8.531 8.284 -1.145 1.00 0.00 C ATOM 817 CG ARG A 59 8.490 9.792 -0.963 1.00 0.00 C ATOM 818 CD ARG A 59 8.861 10.519 -2.246 1.00 0.00 C ATOM 819 NE ARG A 59 8.013 10.120 -3.366 1.00 0.00 N ATOM 820 CZ ARG A 59 8.382 10.216 -4.638 1.00 0.00 C ATOM 821 NH1 ARG A 59 9.579 10.694 -4.950 1.00 0.00 N ATOM 822 NH2 ARG A 59 7.554 9.833 -5.601 1.00 0.00 N ATOM 0 H ARG A 59 8.708 8.034 1.411 1.00 0.00 H new ATOM 0 HA ARG A 59 6.524 7.809 -0.539 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.539 7.928 -0.932 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.323 8.047 -2.188 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.491 10.094 -0.648 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.177 10.082 -0.168 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.775 11.594 -2.091 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.904 10.315 -2.490 1.00 0.00 H new ATOM 0 HE ARG A 59 7.086 9.747 -3.160 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.219 10.989 -4.212 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.860 10.767 -5.928 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.633 9.464 -5.365 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.839 9.907 -6.578 1.00 0.00 H new ATOM 836 N CYS A 60 8.683 5.451 0.238 1.00 0.00 N ATOM 837 CA CYS A 60 8.947 4.020 0.140 1.00 0.00 C ATOM 838 C CYS A 60 8.082 3.239 1.124 1.00 0.00 C ATOM 839 O CYS A 60 7.424 3.821 1.986 1.00 0.00 O ATOM 840 CB CYS A 60 10.426 3.733 0.403 1.00 0.00 C ATOM 841 SG CYS A 60 11.560 4.778 -0.542 1.00 0.00 S ATOM 0 H CYS A 60 9.307 5.953 0.870 1.00 0.00 H new ATOM 0 HA CYS A 60 8.697 3.698 -0.871 1.00 0.00 H new ATOM 0 HB2 CYS A 60 10.627 3.865 1.466 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.630 2.688 0.168 1.00 0.00 H new ATOM 0 HG CYS A 60 12.787 4.462 -0.250 1.00 0.00 H new ATOM 847 N CYS A 61 8.087 1.917 0.988 1.00 0.00 N ATOM 848 CA CYS A 61 7.302 1.055 1.863 1.00 0.00 C ATOM 849 C CYS A 61 7.698 1.255 3.323 1.00 0.00 C ATOM 850 O CYS A 61 8.708 1.892 3.619 1.00 0.00 O ATOM 851 CB CYS A 61 7.488 -0.412 1.469 1.00 0.00 C ATOM 852 SG CYS A 61 6.238 -1.535 2.172 1.00 0.00 S ATOM 0 H CYS A 61 8.626 1.419 0.280 1.00 0.00 H new ATOM 0 HA CYS A 61 6.252 1.325 1.750 1.00 0.00 H new ATOM 0 HB2 CYS A 61 7.462 -0.491 0.382 1.00 0.00 H new ATOM 0 HB3 CYS A 61 8.477 -0.740 1.789 1.00 0.00 H new ATOM 857 N GLU A 62 6.895 0.707 4.229 1.00 0.00 N ATOM 858 CA GLU A 62 7.162 0.827 5.658 1.00 0.00 C ATOM 859 C GLU A 62 8.015 -0.339 6.151 1.00 0.00 C ATOM 860 O GLU A 62 8.819 -0.188 7.072 1.00 0.00 O ATOM 861 CB GLU A 62 5.849 0.880 6.442 1.00 0.00 C ATOM 862 CG GLU A 62 6.040 0.876 7.949 1.00 0.00 C ATOM 863 CD GLU A 62 4.857 1.470 8.688 1.00 0.00 C ATOM 864 OE1 GLU A 62 4.214 2.389 8.138 1.00 0.00 O ATOM 865 OE2 GLU A 62 4.573 1.017 9.817 1.00 0.00 O ATOM 0 H GLU A 62 6.055 0.176 4.000 1.00 0.00 H new ATOM 0 HA GLU A 62 7.713 1.753 5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.301 1.778 6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.232 0.027 6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.199 -0.147 8.289 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.940 1.438 8.199 1.00 0.00 H new ATOM 872 N LEU A 63 7.833 -1.500 5.533 1.00 0.00 N ATOM 873 CA LEU A 63 8.585 -2.693 5.909 1.00 0.00 C ATOM 874 C LEU A 63 9.734 -2.940 4.937 1.00 0.00 C ATOM 875 O LEU A 63 10.904 -2.792 5.292 1.00 0.00 O ATOM 876 CB LEU A 63 7.661 -3.912 5.944 1.00 0.00 C ATOM 877 CG LEU A 63 6.375 -3.756 6.758 1.00 0.00 C ATOM 878 CD1 LEU A 63 5.399 -4.875 6.432 1.00 0.00 C ATOM 879 CD2 LEU A 63 6.686 -3.733 8.247 1.00 0.00 C ATOM 0 H LEU A 63 7.172 -1.642 4.769 1.00 0.00 H new ATOM 0 HA LEU A 63 9.002 -2.532 6.903 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.390 -4.167 4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.221 -4.756 6.345 1.00 0.00 H new ATOM 0 HG LEU A 63 5.910 -2.807 6.490 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.490 -4.748 7.020 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.152 -4.845 5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.854 -5.836 6.671 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.760 -3.621 8.810 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.174 -4.665 8.531 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.348 -2.896 8.468 1.00 0.00 H new ATOM 891 N CYS A 64 9.394 -3.316 3.709 1.00 0.00 N ATOM 892 CA CYS A 64 10.396 -3.583 2.685 1.00 0.00 C ATOM 893 C CYS A 64 11.107 -2.297 2.272 1.00 0.00 C ATOM 894 O CYS A 64 12.124 -2.331 1.578 1.00 0.00 O ATOM 895 CB CYS A 64 9.746 -4.234 1.462 1.00 0.00 C ATOM 896 SG CYS A 64 8.742 -3.093 0.458 1.00 0.00 S ATOM 0 H CYS A 64 8.431 -3.443 3.399 1.00 0.00 H new ATOM 0 HA CYS A 64 11.133 -4.268 3.104 1.00 0.00 H new ATOM 0 HB2 CYS A 64 10.527 -4.663 0.834 1.00 0.00 H new ATOM 0 HB3 CYS A 64 9.116 -5.059 1.795 1.00 0.00 H new ATOM 901 N LYS A 65 10.566 -1.163 2.704 1.00 0.00 N ATOM 902 CA LYS A 65 11.147 0.134 2.382 1.00 0.00 C ATOM 903 C LYS A 65 11.484 0.226 0.897 1.00 0.00 C ATOM 904 O LYS A 65 12.550 0.714 0.522 1.00 0.00 O ATOM 905 CB LYS A 65 12.407 0.373 3.218 1.00 0.00 C ATOM 906 CG LYS A 65 12.161 0.334 4.716 1.00 0.00 C ATOM 907 CD LYS A 65 11.414 1.569 5.190 1.00 0.00 C ATOM 908 CE LYS A 65 11.613 1.803 6.680 1.00 0.00 C ATOM 909 NZ LYS A 65 12.954 2.377 6.977 1.00 0.00 N ATOM 0 H LYS A 65 9.725 -1.117 3.279 1.00 0.00 H new ATOM 0 HA LYS A 65 10.411 0.903 2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.151 -0.381 2.961 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.830 1.342 2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.588 -0.558 4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.114 0.260 5.240 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.760 2.441 4.634 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.351 1.457 4.977 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.840 2.477 7.048 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.495 0.860 7.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.996 2.663 7.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.686 1.663 6.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.118 3.207 6.372 1.00 0.00 H new ATOM 923 N TYR A 66 10.568 -0.243 0.058 1.00 0.00 N ATOM 924 CA TYR A 66 10.769 -0.215 -1.386 1.00 0.00 C ATOM 925 C TYR A 66 10.064 0.986 -2.010 1.00 0.00 C ATOM 926 O TYR A 66 8.862 1.179 -1.824 1.00 0.00 O ATOM 927 CB TYR A 66 10.254 -1.509 -2.019 1.00 0.00 C ATOM 928 CG TYR A 66 10.301 -1.503 -3.531 1.00 0.00 C ATOM 929 CD1 TYR A 66 11.508 -1.619 -4.208 1.00 0.00 C ATOM 930 CD2 TYR A 66 9.138 -1.381 -4.281 1.00 0.00 C ATOM 931 CE1 TYR A 66 11.556 -1.614 -5.589 1.00 0.00 C ATOM 932 CE2 TYR A 66 9.176 -1.377 -5.662 1.00 0.00 C ATOM 933 CZ TYR A 66 10.387 -1.493 -6.311 1.00 0.00 C ATOM 934 OH TYR A 66 10.430 -1.488 -7.687 1.00 0.00 O ATOM 0 H TYR A 66 9.679 -0.647 0.352 1.00 0.00 H new ATOM 0 HA TYR A 66 11.838 -0.126 -1.577 1.00 0.00 H new ATOM 0 HB2 TYR A 66 10.846 -2.346 -1.649 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.227 -1.678 -1.696 1.00 0.00 H new ATOM 0 HD1 TYR A 66 12.425 -1.715 -3.645 1.00 0.00 H new ATOM 0 HD2 TYR A 66 8.188 -1.288 -3.776 1.00 0.00 H new ATOM 0 HE1 TYR A 66 12.503 -1.704 -6.100 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.262 -1.284 -6.230 1.00 0.00 H new ATOM 0 HH TYR A 66 9.521 -1.396 -8.042 1.00 0.00 H new ATOM 944 N GLU A 67 10.820 1.789 -2.752 1.00 0.00 N ATOM 945 CA GLU A 67 10.268 2.971 -3.403 1.00 0.00 C ATOM 946 C GLU A 67 9.077 2.601 -4.283 1.00 0.00 C ATOM 947 O GLU A 67 9.197 1.788 -5.200 1.00 0.00 O ATOM 948 CB GLU A 67 11.342 3.664 -4.245 1.00 0.00 C ATOM 949 CG GLU A 67 11.154 5.168 -4.351 1.00 0.00 C ATOM 950 CD GLU A 67 12.415 5.884 -4.796 1.00 0.00 C ATOM 951 OE1 GLU A 67 12.847 5.664 -5.947 1.00 0.00 O ATOM 952 OE2 GLU A 67 12.969 6.663 -3.993 1.00 0.00 O ATOM 0 H GLU A 67 11.816 1.643 -2.917 1.00 0.00 H new ATOM 0 HA GLU A 67 9.926 3.656 -2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.321 3.458 -3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.340 3.234 -5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.351 5.381 -5.057 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.840 5.560 -3.384 1.00 0.00 H new ATOM 959 N PHE A 68 7.928 3.203 -3.996 1.00 0.00 N ATOM 960 CA PHE A 68 6.714 2.936 -4.758 1.00 0.00 C ATOM 961 C PHE A 68 6.755 3.643 -6.110 1.00 0.00 C ATOM 962 O PHE A 68 7.283 4.749 -6.228 1.00 0.00 O ATOM 963 CB PHE A 68 5.482 3.388 -3.971 1.00 0.00 C ATOM 964 CG PHE A 68 5.273 2.625 -2.695 1.00 0.00 C ATOM 965 CD1 PHE A 68 5.337 1.240 -2.681 1.00 0.00 C ATOM 966 CD2 PHE A 68 5.013 3.291 -1.508 1.00 0.00 C ATOM 967 CE1 PHE A 68 5.145 0.535 -1.508 1.00 0.00 C ATOM 968 CE2 PHE A 68 4.821 2.591 -0.332 1.00 0.00 C ATOM 969 CZ PHE A 68 4.886 1.211 -0.332 1.00 0.00 C ATOM 0 H PHE A 68 7.812 3.879 -3.241 1.00 0.00 H new ATOM 0 HA PHE A 68 6.652 1.862 -4.930 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.578 4.449 -3.739 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.598 3.278 -4.600 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.539 0.706 -3.598 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.960 4.370 -1.502 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.197 -0.544 -1.511 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.620 3.122 0.587 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.735 0.662 0.586 1.00 0.00 H new ATOM 979 N ILE A 69 6.194 2.996 -7.126 1.00 0.00 N ATOM 980 CA ILE A 69 6.166 3.562 -8.469 1.00 0.00 C ATOM 981 C ILE A 69 5.028 4.566 -8.619 1.00 0.00 C ATOM 982 O ILE A 69 3.866 4.186 -8.756 1.00 0.00 O ATOM 983 CB ILE A 69 6.012 2.465 -9.539 1.00 0.00 C ATOM 984 CG1 ILE A 69 7.178 1.477 -9.460 1.00 0.00 C ATOM 985 CG2 ILE A 69 5.929 3.085 -10.926 1.00 0.00 C ATOM 986 CD1 ILE A 69 6.944 0.202 -10.239 1.00 0.00 C ATOM 0 H ILE A 69 5.753 2.080 -7.045 1.00 0.00 H new ATOM 0 HA ILE A 69 7.118 4.071 -8.617 1.00 0.00 H new ATOM 0 HB ILE A 69 5.086 1.921 -9.350 1.00 0.00 H new ATOM 0 HG12 ILE A 69 8.080 1.961 -9.834 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.361 1.226 -8.415 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.820 2.297 -11.671 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.068 3.752 -10.975 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.839 3.651 -11.127 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.811 -0.451 -10.138 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.061 -0.305 -9.850 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.791 0.441 -11.291 1.00 0.00 H new ATOM 998 N MET A 70 5.372 5.849 -8.593 1.00 0.00 N ATOM 999 CA MET A 70 4.379 6.909 -8.729 1.00 0.00 C ATOM 1000 C MET A 70 4.230 7.330 -10.188 1.00 0.00 C ATOM 1001 O MET A 70 3.182 7.832 -10.594 1.00 0.00 O ATOM 1002 CB MET A 70 4.769 8.116 -7.874 1.00 0.00 C ATOM 1003 CG MET A 70 3.775 9.263 -7.953 1.00 0.00 C ATOM 1004 SD MET A 70 4.327 10.724 -7.052 1.00 0.00 S ATOM 1005 CE MET A 70 4.218 10.140 -5.362 1.00 0.00 C ATOM 0 H MET A 70 6.330 6.180 -8.479 1.00 0.00 H new ATOM 0 HA MET A 70 3.421 6.522 -8.381 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.864 7.800 -6.835 1.00 0.00 H new ATOM 0 HB3 MET A 70 5.749 8.473 -8.190 1.00 0.00 H new ATOM 0 HG2 MET A 70 3.612 9.526 -8.998 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.815 8.935 -7.553 1.00 0.00 H new ATOM 0 HE1 MET A 70 4.840 10.764 -4.720 1.00 0.00 H new ATOM 0 HE2 MET A 70 3.183 10.192 -5.025 1.00 0.00 H new ATOM 0 HE3 MET A 70 4.565 9.108 -5.311 1.00 0.00 H new ATOM 1015 N GLU A 71 5.285 7.124 -10.969 1.00 0.00 N ATOM 1016 CA GLU A 71 5.270 7.484 -12.382 1.00 0.00 C ATOM 1017 C GLU A 71 5.337 8.999 -12.558 1.00 0.00 C ATOM 1018 O GLU A 71 4.642 9.569 -13.400 1.00 0.00 O ATOM 1019 CB GLU A 71 4.012 6.936 -13.058 1.00 0.00 C ATOM 1020 CG GLU A 71 4.157 6.758 -14.560 1.00 0.00 C ATOM 1021 CD GLU A 71 4.964 5.528 -14.927 1.00 0.00 C ATOM 1022 OE1 GLU A 71 6.083 5.374 -14.395 1.00 0.00 O ATOM 1023 OE2 GLU A 71 4.478 4.721 -15.746 1.00 0.00 O ATOM 0 H GLU A 71 6.160 6.710 -10.648 1.00 0.00 H new ATOM 0 HA GLU A 71 6.148 7.041 -12.853 1.00 0.00 H new ATOM 0 HB2 GLU A 71 3.758 5.976 -12.610 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.179 7.611 -12.859 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.167 6.686 -15.011 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.636 7.641 -14.982 1.00 0.00 H new ATOM 1030 N THR A 72 6.177 9.645 -11.756 1.00 0.00 N ATOM 1031 CA THR A 72 6.333 11.093 -11.821 1.00 0.00 C ATOM 1032 C THR A 72 7.774 11.477 -12.140 1.00 0.00 C ATOM 1033 O THR A 72 8.567 11.754 -11.241 1.00 0.00 O ATOM 1034 CB THR A 72 5.917 11.762 -10.497 1.00 0.00 C ATOM 1035 OG1 THR A 72 4.548 11.464 -10.206 1.00 0.00 O ATOM 1036 CG2 THR A 72 6.109 13.270 -10.570 1.00 0.00 C ATOM 0 H THR A 72 6.760 9.189 -11.054 1.00 0.00 H new ATOM 0 HA THR A 72 5.680 11.446 -12.619 1.00 0.00 H new ATOM 0 HB THR A 72 6.550 11.368 -9.702 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.428 11.392 -9.236 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.809 13.721 -9.624 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.158 13.494 -10.762 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.498 13.676 -11.376 1.00 0.00 H new ATOM 1044 N LYS A 73 8.105 11.491 -13.427 1.00 0.00 N ATOM 1045 CA LYS A 73 9.450 11.843 -13.867 1.00 0.00 C ATOM 1046 C LYS A 73 9.405 12.921 -14.945 1.00 0.00 C ATOM 1047 O LYS A 73 9.303 12.620 -16.135 1.00 0.00 O ATOM 1048 CB LYS A 73 10.175 10.604 -14.399 1.00 0.00 C ATOM 1049 CG LYS A 73 11.650 10.836 -14.680 1.00 0.00 C ATOM 1050 CD LYS A 73 12.341 9.557 -15.120 1.00 0.00 C ATOM 1051 CE LYS A 73 13.676 9.848 -15.791 1.00 0.00 C ATOM 1052 NZ LYS A 73 14.614 8.697 -15.680 1.00 0.00 N ATOM 0 H LYS A 73 7.460 11.263 -14.184 1.00 0.00 H new ATOM 0 HA LYS A 73 9.995 12.235 -13.009 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.074 9.796 -13.675 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.687 10.273 -15.316 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.759 11.595 -15.455 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.136 11.223 -13.784 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.500 8.912 -14.256 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.696 9.013 -15.810 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.511 10.082 -16.843 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.127 10.730 -15.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.511 8.934 -16.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.792 8.490 -14.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.195 7.862 -16.137 1.00 0.00 H new ATOM 1066 N LEU A 74 9.484 14.178 -14.521 1.00 0.00 N ATOM 1067 CA LEU A 74 9.454 15.302 -15.451 1.00 0.00 C ATOM 1068 C LEU A 74 10.646 16.226 -15.226 1.00 0.00 C ATOM 1069 O LEU A 74 10.926 16.631 -14.098 1.00 0.00 O ATOM 1070 CB LEU A 74 8.149 16.085 -15.293 1.00 0.00 C ATOM 1071 CG LEU A 74 6.929 15.508 -16.011 1.00 0.00 C ATOM 1072 CD1 LEU A 74 7.078 15.652 -17.517 1.00 0.00 C ATOM 1073 CD2 LEU A 74 6.727 14.049 -15.630 1.00 0.00 C ATOM 0 H LEU A 74 9.569 14.444 -13.540 1.00 0.00 H new ATOM 0 HA LEU A 74 9.512 14.906 -16.465 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.919 16.158 -14.230 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.312 17.100 -15.655 1.00 0.00 H new ATOM 0 HG LEU A 74 6.048 16.070 -15.699 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.200 15.236 -18.011 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.173 16.707 -17.774 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.968 15.117 -17.847 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.854 13.655 -16.150 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.609 13.474 -15.913 1.00 0.00 H new ATOM 0 HD23 LEU A 74 6.573 13.972 -14.554 1.00 0.00 H new ATOM 1085 N SER A 75 11.343 16.558 -16.308 1.00 0.00 N ATOM 1086 CA SER A 75 12.506 17.434 -16.228 1.00 0.00 C ATOM 1087 C SER A 75 12.089 18.862 -15.893 1.00 0.00 C ATOM 1088 O SER A 75 11.006 19.309 -16.268 1.00 0.00 O ATOM 1089 CB SER A 75 13.278 17.413 -17.549 1.00 0.00 C ATOM 1090 OG SER A 75 13.875 16.147 -17.771 1.00 0.00 O ATOM 0 H SER A 75 11.123 16.234 -17.250 1.00 0.00 H new ATOM 0 HA SER A 75 13.152 17.067 -15.431 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.603 17.650 -18.372 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.048 18.184 -17.536 1.00 0.00 H new ATOM 0 HG SER A 75 14.361 16.159 -18.622 1.00 0.00 H new ATOM 1096 N GLY A 76 12.958 19.575 -15.182 1.00 0.00 N ATOM 1097 CA GLY A 76 12.662 20.946 -14.807 1.00 0.00 C ATOM 1098 C GLY A 76 13.868 21.663 -14.234 1.00 0.00 C ATOM 1099 O GLY A 76 14.278 21.423 -13.098 1.00 0.00 O ATOM 0 H GLY A 76 13.861 19.228 -14.859 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.302 21.489 -15.681 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.856 20.953 -14.073 1.00 0.00 H new ATOM 1103 N PRO A 77 14.460 22.565 -15.031 1.00 0.00 N ATOM 1104 CA PRO A 77 15.635 23.337 -14.618 1.00 0.00 C ATOM 1105 C PRO A 77 15.306 24.362 -13.538 1.00 0.00 C ATOM 1106 O PRO A 77 16.161 24.723 -12.730 1.00 0.00 O ATOM 1107 CB PRO A 77 16.070 24.038 -15.907 1.00 0.00 C ATOM 1108 CG PRO A 77 14.829 24.129 -16.726 1.00 0.00 C ATOM 1109 CD PRO A 77 14.025 22.901 -16.398 1.00 0.00 C ATOM 0 HA PRO A 77 16.406 22.703 -14.181 1.00 0.00 H new ATOM 0 HB2 PRO A 77 16.482 25.026 -15.701 1.00 0.00 H new ATOM 0 HB3 PRO A 77 16.845 23.471 -16.424 1.00 0.00 H new ATOM 0 HG2 PRO A 77 14.271 25.035 -16.490 1.00 0.00 H new ATOM 0 HG3 PRO A 77 15.065 24.168 -17.789 1.00 0.00 H new ATOM 0 HD2 PRO A 77 12.954 23.098 -16.442 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.229 22.089 -17.096 1.00 0.00 H new ATOM 1117 N SER A 78 14.060 24.827 -13.531 1.00 0.00 N ATOM 1118 CA SER A 78 13.619 25.813 -12.552 1.00 0.00 C ATOM 1119 C SER A 78 12.777 25.158 -11.462 1.00 0.00 C ATOM 1120 O SER A 78 12.503 23.959 -11.510 1.00 0.00 O ATOM 1121 CB SER A 78 12.814 26.919 -13.238 1.00 0.00 C ATOM 1122 OG SER A 78 13.543 27.489 -14.311 1.00 0.00 O ATOM 0 H SER A 78 13.339 24.537 -14.192 1.00 0.00 H new ATOM 0 HA SER A 78 14.504 26.250 -12.090 1.00 0.00 H new ATOM 0 HB2 SER A 78 11.873 26.512 -13.609 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.563 27.693 -12.513 1.00 0.00 H new ATOM 0 HG SER A 78 13.007 28.192 -14.734 1.00 0.00 H new ATOM 1128 N SER A 79 12.369 25.954 -10.479 1.00 0.00 N ATOM 1129 CA SER A 79 11.561 25.452 -9.373 1.00 0.00 C ATOM 1130 C SER A 79 10.323 24.726 -9.891 1.00 0.00 C ATOM 1131 O SER A 79 9.857 24.984 -11.001 1.00 0.00 O ATOM 1132 CB SER A 79 11.145 26.601 -8.454 1.00 0.00 C ATOM 1133 OG SER A 79 10.304 27.518 -9.132 1.00 0.00 O ATOM 0 H SER A 79 12.585 26.950 -10.426 1.00 0.00 H new ATOM 0 HA SER A 79 12.166 24.744 -8.806 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.626 26.203 -7.582 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.032 27.118 -8.089 1.00 0.00 H new ATOM 0 HG SER A 79 10.051 28.242 -8.522 1.00 0.00 H new ATOM 1139 N GLY A 80 9.794 23.817 -9.079 1.00 0.00 N ATOM 1140 CA GLY A 80 8.615 23.068 -9.471 1.00 0.00 C ATOM 1141 C GLY A 80 8.902 21.591 -9.660 1.00 0.00 C ATOM 1142 O GLY A 80 8.078 20.766 -9.269 1.00 0.00 O ATOM 0 H GLY A 80 10.161 23.586 -8.156 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.842 23.190 -8.713 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.219 23.480 -10.399 1.00 0.00 H new TER 1146 GLY A 80 HETATM 1147 ZN ZN A 201 -8.268 3.122 -4.724 1.00 0.00 ZN HETATM 1148 ZN ZN A 401 6.411 -3.389 0.764 1.00 0.00 ZN