USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 765 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 27 LYS NZ :NH3+ 143:sc= -0.218 (180deg=-0.838) USER MOD Set 1.2: A 80 ASN :FLIP amide:sc= -1.14 F(o=-4.1,f=-1.4) USER MOD Single : A 1 ALA N :NH3+ 133:sc= 0.0223 (180deg=0) USER MOD Single : A 6 ASN :FLIP amide:sc= -1.44 F(o=-2.1!,f=-1.4) USER MOD Single : A 9 THR OG1 : rot -58:sc= 1.25 USER MOD Single : A 11 ASN : amide:sc= 0.227 K(o=0.23,f=-5.4!) USER MOD Single : A 13 ASN : amide:sc= -2.84! C(o=-2.8!,f=-11!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.303 F(o=-4.5!,f=-0.3) USER MOD Single : A 25 GLN : amide:sc= -2.59! C(o=-2.6!,f=-5.8!) USER MOD Single : A 31 THR OG1 : rot 33:sc= -0.0146 USER MOD Single : A 32 LYS NZ :NH3+ 136:sc= -0.133 (180deg=-1.07) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -4.52! C(o=-4.5!,f=-6!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 75:sc= -0.138 USER MOD Single : A 47 LYS NZ :NH3+ -151:sc= -0.166 (180deg=-1.19!) USER MOD Single : A 51 LYS NZ :NH3+ -127:sc= 0.624 (180deg=-0.322) USER MOD Single : A 52 SER OG : rot 180:sc= -1.82 USER MOD Single : A 55 SER OG : rot 99:sc= -0.298! USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 159:sc= -0.0264 (180deg=-0.248) USER MOD Single : A 63 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.024) USER MOD Single : A 71 GLN :FLIP amide:sc= -1.81 F(o=-4.1,f=-1.8) USER MOD Single : A 77 LYS NZ :NH3+ -154:sc= -3.15! (180deg=-5.07!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -158:sc= -0.106 (180deg=-0.746) USER MOD Single : A 88 GLN :FLIP amide:sc= -4.19! C(o=-6.5!,f=-4.2!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ -165:sc= -0.0177 (180deg=-0.257) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.0114 X(o=-0.011,f=0) USER MOD Single : A 103 GLN : amide:sc= -0.0129 X(o=-0.013,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -25.162 1.989 21.422 1.00 0.00 N ATOM 2 CA ALA A 1 -24.379 1.593 22.625 1.00 0.00 C ATOM 3 C ALA A 1 -23.026 1.020 22.191 1.00 0.00 C ATOM 4 O ALA A 1 -22.921 0.344 21.186 1.00 0.00 O ATOM 5 CB ALA A 1 -25.154 0.534 23.412 1.00 0.00 C ATOM 0 H1 ALA A 1 -26.133 1.627 21.506 1.00 0.00 H new ATOM 0 H2 ALA A 1 -25.184 3.026 21.348 1.00 0.00 H new ATOM 0 H3 ALA A 1 -24.716 1.591 20.571 1.00 0.00 H new ATOM 0 HA ALA A 1 -24.216 2.467 23.255 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -24.581 0.244 24.293 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -26.115 0.943 23.723 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -25.318 -0.340 22.782 1.00 0.00 H new ATOM 13 N ASP A 2 -21.991 1.289 22.940 1.00 0.00 N ATOM 14 CA ASP A 2 -20.644 0.762 22.571 1.00 0.00 C ATOM 15 C ASP A 2 -20.570 -0.736 22.881 1.00 0.00 C ATOM 16 O ASP A 2 -21.248 -1.233 23.758 1.00 0.00 O ATOM 17 CB ASP A 2 -19.570 1.502 23.373 1.00 0.00 C ATOM 18 CG ASP A 2 -19.907 1.437 24.864 1.00 0.00 C ATOM 19 OD1 ASP A 2 -21.075 1.282 25.182 1.00 0.00 O ATOM 20 OD2 ASP A 2 -18.991 1.542 25.663 1.00 0.00 O ATOM 0 H ASP A 2 -22.019 1.850 23.791 1.00 0.00 H new ATOM 0 HA ASP A 2 -20.477 0.917 21.505 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -18.593 1.055 23.191 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -19.510 2.541 23.048 1.00 0.00 H new ATOM 25 N LEU A 3 -19.751 -1.459 22.160 1.00 0.00 N ATOM 26 CA LEU A 3 -19.623 -2.928 22.399 1.00 0.00 C ATOM 27 C LEU A 3 -18.522 -3.179 23.439 1.00 0.00 C ATOM 28 O LEU A 3 -18.792 -3.386 24.604 1.00 0.00 O ATOM 29 CB LEU A 3 -19.269 -3.632 21.070 1.00 0.00 C ATOM 30 CG LEU A 3 -18.447 -2.681 20.163 1.00 0.00 C ATOM 31 CD1 LEU A 3 -17.499 -3.495 19.273 1.00 0.00 C ATOM 32 CD2 LEU A 3 -19.390 -1.860 19.266 1.00 0.00 C ATOM 0 H LEU A 3 -19.162 -1.092 21.412 1.00 0.00 H new ATOM 0 HA LEU A 3 -20.565 -3.327 22.774 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -18.698 -4.538 21.271 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -20.181 -3.937 20.557 1.00 0.00 H new ATOM 0 HG LEU A 3 -17.870 -2.010 20.799 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -16.925 -2.819 18.639 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -16.818 -4.071 19.899 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -18.080 -4.174 18.648 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -18.803 -1.195 18.633 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -19.975 -2.534 18.640 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -20.061 -1.269 19.889 1.00 0.00 H new ATOM 44 N GLU A 4 -17.284 -3.156 23.022 1.00 0.00 N ATOM 45 CA GLU A 4 -16.166 -3.389 23.981 1.00 0.00 C ATOM 46 C GLU A 4 -16.316 -4.783 24.616 1.00 0.00 C ATOM 47 O GLU A 4 -16.947 -5.656 24.058 1.00 0.00 O ATOM 48 CB GLU A 4 -16.198 -2.297 25.061 1.00 0.00 C ATOM 49 CG GLU A 4 -16.546 -0.945 24.423 1.00 0.00 C ATOM 50 CD GLU A 4 -16.118 0.191 25.355 1.00 0.00 C ATOM 51 OE1 GLU A 4 -16.151 -0.011 26.558 1.00 0.00 O ATOM 52 OE2 GLU A 4 -15.764 1.245 24.851 1.00 0.00 O ATOM 0 H GLU A 4 -16.999 -2.986 22.058 1.00 0.00 H new ATOM 0 HA GLU A 4 -15.209 -3.346 23.460 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -16.934 -2.549 25.825 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.230 -2.236 25.559 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -16.045 -0.847 23.460 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -17.618 -0.887 24.232 1.00 0.00 H new ATOM 59 N ASP A 5 -15.736 -4.997 25.773 1.00 0.00 N ATOM 60 CA ASP A 5 -15.837 -6.326 26.448 1.00 0.00 C ATOM 61 C ASP A 5 -15.477 -7.453 25.469 1.00 0.00 C ATOM 62 O ASP A 5 -15.880 -8.586 25.641 1.00 0.00 O ATOM 63 CB ASP A 5 -17.258 -6.520 27.004 1.00 0.00 C ATOM 64 CG ASP A 5 -18.226 -6.951 25.896 1.00 0.00 C ATOM 65 OD1 ASP A 5 -18.201 -8.118 25.537 1.00 0.00 O ATOM 66 OD2 ASP A 5 -18.973 -6.110 25.429 1.00 0.00 O ATOM 0 H ASP A 5 -15.192 -4.300 26.282 1.00 0.00 H new ATOM 0 HA ASP A 5 -15.129 -6.360 27.276 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -17.244 -7.272 27.793 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -17.606 -5.591 27.455 1.00 0.00 H new ATOM 71 N ASN A 6 -14.716 -7.152 24.449 1.00 0.00 N ATOM 72 CA ASN A 6 -14.320 -8.204 23.464 1.00 0.00 C ATOM 73 C ASN A 6 -12.970 -8.802 23.872 1.00 0.00 C ATOM 74 O ASN A 6 -12.073 -8.101 24.299 1.00 0.00 O ATOM 75 CB ASN A 6 -14.202 -7.581 22.073 1.00 0.00 C ATOM 76 CG ASN A 6 -15.418 -6.694 21.807 1.00 0.00 C ATOM 77 OD1 ASN A 6 -15.241 -5.463 21.415 1.00 0.00 O flip ATOM 78 ND2 ASN A 6 -16.545 -7.126 21.958 1.00 0.00 N flip ATOM 0 H ASN A 6 -14.350 -6.220 24.255 1.00 0.00 H new ATOM 0 HA ASN A 6 -15.076 -8.989 23.447 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -13.287 -6.993 22.003 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -14.137 -8.363 21.317 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -16.685 -8.089 22.265 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -17.350 -6.526 21.778 1.00 0.00 H new ATOM 85 N ASP A 7 -12.817 -10.092 23.739 1.00 0.00 N ATOM 86 CA ASP A 7 -11.528 -10.745 24.112 1.00 0.00 C ATOM 87 C ASP A 7 -11.335 -11.983 23.239 1.00 0.00 C ATOM 88 O ASP A 7 -10.240 -12.300 22.819 1.00 0.00 O ATOM 89 CB ASP A 7 -11.566 -11.157 25.585 1.00 0.00 C ATOM 90 CG ASP A 7 -11.683 -9.909 26.463 1.00 0.00 C ATOM 91 OD1 ASP A 7 -10.870 -9.015 26.297 1.00 0.00 O ATOM 92 OD2 ASP A 7 -12.581 -9.870 27.287 1.00 0.00 O ATOM 0 H ASP A 7 -13.534 -10.726 23.386 1.00 0.00 H new ATOM 0 HA ASP A 7 -10.703 -10.049 23.959 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.411 -11.822 25.766 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.663 -11.711 25.842 1.00 0.00 H new ATOM 97 N GLU A 8 -12.401 -12.680 22.961 1.00 0.00 N ATOM 98 CA GLU A 8 -12.303 -13.900 22.111 1.00 0.00 C ATOM 99 C GLU A 8 -12.272 -13.474 20.642 1.00 0.00 C ATOM 100 O GLU A 8 -12.503 -14.263 19.748 1.00 0.00 O ATOM 101 CB GLU A 8 -13.516 -14.814 22.368 1.00 0.00 C ATOM 102 CG GLU A 8 -14.706 -13.985 22.860 1.00 0.00 C ATOM 103 CD GLU A 8 -15.967 -14.851 22.866 1.00 0.00 C ATOM 104 OE1 GLU A 8 -16.174 -15.568 21.902 1.00 0.00 O ATOM 105 OE2 GLU A 8 -16.703 -14.783 23.838 1.00 0.00 O ATOM 0 H GLU A 8 -13.341 -12.456 23.288 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.394 -14.450 22.354 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.784 -15.341 21.452 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -13.260 -15.572 23.109 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -14.508 -13.606 23.863 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.851 -13.119 22.214 1.00 0.00 H new ATOM 112 N THR A 9 -11.987 -12.230 20.394 1.00 0.00 N ATOM 113 CA THR A 9 -11.936 -11.733 18.991 1.00 0.00 C ATOM 114 C THR A 9 -10.521 -11.922 18.447 1.00 0.00 C ATOM 115 O THR A 9 -10.030 -11.131 17.666 1.00 0.00 O ATOM 116 CB THR A 9 -12.298 -10.247 18.965 1.00 0.00 C ATOM 117 OG1 THR A 9 -11.996 -9.711 17.683 1.00 0.00 O ATOM 118 CG2 THR A 9 -11.493 -9.504 20.033 1.00 0.00 C ATOM 0 H THR A 9 -11.785 -11.529 21.107 1.00 0.00 H new ATOM 0 HA THR A 9 -12.644 -12.288 18.376 1.00 0.00 H new ATOM 0 HB THR A 9 -13.362 -10.128 19.169 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.046 -9.851 17.485 1.00 0.00 H new ATOM 0 HG21 THR A 9 -11.752 -8.445 20.013 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.725 -9.916 21.015 1.00 0.00 H new ATOM 0 HG23 THR A 9 -10.428 -9.621 19.833 1.00 0.00 H new ATOM 126 N GLY A 10 -9.863 -12.969 18.858 1.00 0.00 N ATOM 127 CA GLY A 10 -8.477 -13.224 18.371 1.00 0.00 C ATOM 128 C GLY A 10 -7.526 -12.167 18.936 1.00 0.00 C ATOM 129 O GLY A 10 -6.874 -11.446 18.206 1.00 0.00 O ATOM 0 H GLY A 10 -10.226 -13.662 19.512 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.152 -14.219 18.676 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.455 -13.201 17.281 1.00 0.00 H new ATOM 133 N ASN A 11 -7.438 -12.076 20.235 1.00 0.00 N ATOM 134 CA ASN A 11 -6.528 -11.080 20.867 1.00 0.00 C ATOM 135 C ASN A 11 -5.161 -11.726 21.071 1.00 0.00 C ATOM 136 O ASN A 11 -4.241 -11.116 21.580 1.00 0.00 O ATOM 137 CB ASN A 11 -7.100 -10.656 22.222 1.00 0.00 C ATOM 138 CG ASN A 11 -7.131 -11.860 23.165 1.00 0.00 C ATOM 139 OD1 ASN A 11 -7.649 -12.904 22.821 1.00 0.00 O ATOM 140 ND2 ASN A 11 -6.596 -11.758 24.351 1.00 0.00 N ATOM 0 H ASN A 11 -7.963 -12.655 20.891 1.00 0.00 H new ATOM 0 HA ASN A 11 -6.433 -10.203 20.227 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -6.492 -9.860 22.652 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.106 -10.255 22.094 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.613 -12.554 24.988 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -6.161 -10.882 24.641 1.00 0.00 H new ATOM 147 N ASP A 12 -5.025 -12.965 20.680 1.00 0.00 N ATOM 148 CA ASP A 12 -3.725 -13.673 20.848 1.00 0.00 C ATOM 149 C ASP A 12 -2.908 -13.531 19.568 1.00 0.00 C ATOM 150 O ASP A 12 -1.806 -14.034 19.463 1.00 0.00 O ATOM 151 CB ASP A 12 -3.989 -15.156 21.117 1.00 0.00 C ATOM 152 CG ASP A 12 -2.679 -15.849 21.492 1.00 0.00 C ATOM 153 OD1 ASP A 12 -1.737 -15.151 21.831 1.00 0.00 O ATOM 154 OD2 ASP A 12 -2.638 -17.067 21.434 1.00 0.00 O ATOM 0 H ASP A 12 -5.764 -13.520 20.249 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.176 -13.241 21.685 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.715 -15.266 21.923 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.421 -15.625 20.233 1.00 0.00 H new ATOM 159 N ASN A 13 -3.438 -12.850 18.590 1.00 0.00 N ATOM 160 CA ASN A 13 -2.687 -12.678 17.310 1.00 0.00 C ATOM 161 C ASN A 13 -3.180 -11.427 16.584 1.00 0.00 C ATOM 162 O ASN A 13 -2.426 -10.747 15.917 1.00 0.00 O ATOM 163 CB ASN A 13 -2.911 -13.901 16.420 1.00 0.00 C ATOM 164 CG ASN A 13 -4.412 -14.133 16.239 1.00 0.00 C ATOM 165 OD1 ASN A 13 -5.210 -13.658 17.023 1.00 0.00 O ATOM 166 ND2 ASN A 13 -4.832 -14.850 15.233 1.00 0.00 N ATOM 0 H ASN A 13 -4.356 -12.406 18.619 1.00 0.00 H new ATOM 0 HA ASN A 13 -1.624 -12.573 17.529 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.436 -13.750 15.451 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.448 -14.780 16.868 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.831 -15.012 15.104 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.162 -15.248 14.575 1.00 0.00 H new ATOM 173 N GLY A 14 -4.440 -11.117 16.705 1.00 0.00 N ATOM 174 CA GLY A 14 -4.976 -9.909 16.015 1.00 0.00 C ATOM 175 C GLY A 14 -4.873 -10.097 14.499 1.00 0.00 C ATOM 176 O GLY A 14 -5.153 -9.197 13.734 1.00 0.00 O ATOM 0 H GLY A 14 -5.121 -11.646 17.250 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.015 -9.745 16.302 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.417 -9.025 16.321 1.00 0.00 H new ATOM 180 N LYS A 15 -4.473 -11.262 14.059 1.00 0.00 N ATOM 181 CA LYS A 15 -4.354 -11.506 12.592 1.00 0.00 C ATOM 182 C LYS A 15 -4.439 -13.007 12.303 1.00 0.00 C ATOM 183 O LYS A 15 -5.477 -13.514 11.925 1.00 0.00 O ATOM 184 CB LYS A 15 -3.014 -10.956 12.072 1.00 0.00 C ATOM 185 CG LYS A 15 -1.836 -11.359 13.013 1.00 0.00 C ATOM 186 CD LYS A 15 -1.092 -10.112 13.518 1.00 0.00 C ATOM 187 CE LYS A 15 -0.273 -9.502 12.375 1.00 0.00 C ATOM 188 NZ LYS A 15 0.062 -8.086 12.701 1.00 0.00 N ATOM 0 H LYS A 15 -4.224 -12.054 14.652 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.172 -10.995 12.084 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.827 -11.336 11.068 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.068 -9.870 11.997 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.219 -11.928 13.860 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.144 -12.010 12.479 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.805 -9.380 13.898 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.436 -10.379 14.347 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.641 -10.077 12.222 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.838 -9.548 11.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.618 -7.673 11.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.815 -7.542 12.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.618 -8.054 13.580 1.00 0.00 H new ATOM 202 N GLY A 16 -3.359 -13.724 12.463 1.00 0.00 N ATOM 203 CA GLY A 16 -3.393 -15.186 12.180 1.00 0.00 C ATOM 204 C GLY A 16 -3.841 -15.397 10.733 1.00 0.00 C ATOM 205 O GLY A 16 -4.691 -16.216 10.446 1.00 0.00 O ATOM 0 H GLY A 16 -2.459 -13.361 12.776 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.407 -15.624 12.338 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.078 -15.687 12.864 1.00 0.00 H new ATOM 209 N GLY A 17 -3.276 -14.653 9.823 1.00 0.00 N ATOM 210 CA GLY A 17 -3.657 -14.789 8.394 1.00 0.00 C ATOM 211 C GLY A 17 -2.525 -14.239 7.530 1.00 0.00 C ATOM 212 O GLY A 17 -2.748 -13.687 6.470 1.00 0.00 O ATOM 0 H GLY A 17 -2.561 -13.951 10.013 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.844 -15.835 8.151 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.581 -14.246 8.196 1.00 0.00 H new ATOM 216 N GLU A 18 -1.306 -14.391 7.973 1.00 0.00 N ATOM 217 CA GLU A 18 -0.155 -13.883 7.178 1.00 0.00 C ATOM 218 C GLU A 18 0.172 -14.925 6.116 1.00 0.00 C ATOM 219 O GLU A 18 1.059 -14.756 5.304 1.00 0.00 O ATOM 220 CB GLU A 18 1.052 -13.673 8.099 1.00 0.00 C ATOM 221 CG GLU A 18 0.889 -12.358 8.877 1.00 0.00 C ATOM 222 CD GLU A 18 1.757 -12.389 10.138 1.00 0.00 C ATOM 223 OE1 GLU A 18 2.941 -12.654 10.012 1.00 0.00 O ATOM 224 OE2 GLU A 18 1.222 -12.146 11.207 1.00 0.00 O ATOM 0 H GLU A 18 -1.059 -14.846 8.852 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.400 -12.930 6.708 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.141 -14.509 8.793 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.970 -13.647 7.511 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.176 -11.515 8.248 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.157 -12.213 9.148 1.00 0.00 H new ATOM 231 N LYS A 19 -0.573 -15.995 6.116 1.00 0.00 N ATOM 232 CA LYS A 19 -0.366 -17.074 5.108 1.00 0.00 C ATOM 233 C LYS A 19 1.122 -17.437 4.987 1.00 0.00 C ATOM 234 O LYS A 19 1.586 -18.372 5.606 1.00 0.00 O ATOM 235 CB LYS A 19 -0.897 -16.593 3.752 1.00 0.00 C ATOM 236 CG LYS A 19 -0.832 -17.731 2.722 1.00 0.00 C ATOM 237 CD LYS A 19 -1.750 -18.899 3.148 1.00 0.00 C ATOM 238 CE LYS A 19 -2.278 -19.649 1.911 1.00 0.00 C ATOM 239 NZ LYS A 19 -3.562 -19.033 1.471 1.00 0.00 N ATOM 0 H LYS A 19 -1.327 -16.171 6.780 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.904 -17.966 5.428 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.925 -16.247 3.858 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.309 -15.744 3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.135 -17.361 1.743 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.195 -18.084 2.626 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.199 -19.587 3.790 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.586 -18.517 3.733 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.546 -19.605 1.105 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.429 -20.702 2.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.921 -19.538 0.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.259 -19.097 2.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.403 -18.034 1.230 1.00 0.00 H new ATOM 253 N ALA A 20 1.865 -16.725 4.179 1.00 0.00 N ATOM 254 CA ALA A 20 3.312 -17.054 4.010 1.00 0.00 C ATOM 255 C ALA A 20 3.430 -18.381 3.252 1.00 0.00 C ATOM 256 O ALA A 20 4.305 -19.184 3.510 1.00 0.00 O ATOM 257 CB ALA A 20 3.984 -17.163 5.389 1.00 0.00 C ATOM 0 H ALA A 20 1.533 -15.932 3.630 1.00 0.00 H new ATOM 0 HA ALA A 20 3.811 -16.268 3.444 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.040 -17.403 5.261 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.889 -16.214 5.916 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.500 -17.950 5.968 1.00 0.00 H new ATOM 263 N ASP A 21 2.542 -18.611 2.320 1.00 0.00 N ATOM 264 CA ASP A 21 2.573 -19.874 1.535 1.00 0.00 C ATOM 265 C ASP A 21 3.525 -19.724 0.351 1.00 0.00 C ATOM 266 O ASP A 21 4.673 -20.118 0.403 1.00 0.00 O ATOM 267 CB ASP A 21 1.164 -20.182 1.019 1.00 0.00 C ATOM 268 CG ASP A 21 1.208 -21.399 0.093 1.00 0.00 C ATOM 269 OD1 ASP A 21 2.033 -22.267 0.329 1.00 0.00 O ATOM 270 OD2 ASP A 21 0.417 -21.443 -0.835 1.00 0.00 O ATOM 0 H ASP A 21 1.790 -17.969 2.069 1.00 0.00 H new ATOM 0 HA ASP A 21 2.919 -20.688 2.172 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.494 -20.375 1.857 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.766 -19.320 0.484 1.00 0.00 H new ATOM 275 N ASN A 22 3.043 -19.159 -0.721 1.00 0.00 N ATOM 276 CA ASN A 22 3.906 -18.983 -1.921 1.00 0.00 C ATOM 277 C ASN A 22 3.296 -17.928 -2.852 1.00 0.00 C ATOM 278 O ASN A 22 2.443 -18.223 -3.665 1.00 0.00 O ATOM 279 CB ASN A 22 4.016 -20.315 -2.669 1.00 0.00 C ATOM 280 CG ASN A 22 5.276 -20.326 -3.537 1.00 0.00 C ATOM 281 OD1 ASN A 22 5.638 -19.235 -4.150 1.00 0.00 O flip ATOM 282 ND2 ASN A 22 5.937 -21.338 -3.657 1.00 0.00 N flip ATOM 0 H ASN A 22 2.089 -18.812 -0.817 1.00 0.00 H new ATOM 0 HA ASN A 22 4.896 -18.655 -1.605 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.048 -21.140 -1.957 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.134 -20.466 -3.292 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.654 -22.192 -3.177 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.776 -21.334 -4.238 1.00 0.00 H new ATOM 289 N ALA A 23 3.737 -16.712 -2.738 1.00 0.00 N ATOM 290 CA ALA A 23 3.212 -15.614 -3.614 1.00 0.00 C ATOM 291 C ALA A 23 1.858 -15.135 -3.086 1.00 0.00 C ATOM 292 O ALA A 23 1.449 -14.017 -3.334 1.00 0.00 O ATOM 293 CB ALA A 23 3.073 -16.115 -5.065 1.00 0.00 C ATOM 0 H ALA A 23 4.449 -16.420 -2.068 1.00 0.00 H new ATOM 0 HA ALA A 23 3.913 -14.779 -3.600 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.691 -15.310 -5.693 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.048 -16.433 -5.435 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.382 -16.957 -5.094 1.00 0.00 H new ATOM 299 N ALA A 24 1.167 -15.958 -2.350 1.00 0.00 N ATOM 300 CA ALA A 24 -0.147 -15.526 -1.803 1.00 0.00 C ATOM 301 C ALA A 24 0.096 -14.383 -0.820 1.00 0.00 C ATOM 302 O ALA A 24 -0.525 -13.339 -0.888 1.00 0.00 O ATOM 303 CB ALA A 24 -0.808 -16.699 -1.074 1.00 0.00 C ATOM 0 H ALA A 24 1.453 -16.906 -2.105 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.802 -15.196 -2.609 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.771 -16.382 -0.673 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.959 -17.523 -1.772 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.166 -17.028 -0.257 1.00 0.00 H new ATOM 309 N GLN A 25 1.006 -14.578 0.090 1.00 0.00 N ATOM 310 CA GLN A 25 1.320 -13.519 1.090 1.00 0.00 C ATOM 311 C GLN A 25 1.777 -12.243 0.376 1.00 0.00 C ATOM 312 O GLN A 25 1.641 -11.152 0.893 1.00 0.00 O ATOM 313 CB GLN A 25 2.417 -14.051 2.030 1.00 0.00 C ATOM 314 CG GLN A 25 3.823 -13.832 1.432 1.00 0.00 C ATOM 315 CD GLN A 25 4.307 -12.408 1.737 1.00 0.00 C ATOM 316 OE1 GLN A 25 3.698 -11.699 2.514 1.00 0.00 O ATOM 317 NE2 GLN A 25 5.384 -11.957 1.153 1.00 0.00 N ATOM 0 H GLN A 25 1.552 -15.434 0.186 1.00 0.00 H new ATOM 0 HA GLN A 25 0.433 -13.271 1.674 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.347 -13.548 2.995 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.259 -15.114 2.212 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.521 -14.559 1.847 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.798 -13.993 0.354 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.897 -12.550 0.501 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.713 -11.012 1.349 1.00 0.00 H new ATOM 326 N VAL A 26 2.317 -12.365 -0.805 1.00 0.00 N ATOM 327 CA VAL A 26 2.773 -11.152 -1.533 1.00 0.00 C ATOM 328 C VAL A 26 1.557 -10.357 -2.005 1.00 0.00 C ATOM 329 O VAL A 26 1.548 -9.149 -1.969 1.00 0.00 O ATOM 330 CB VAL A 26 3.622 -11.561 -2.737 1.00 0.00 C ATOM 331 CG1 VAL A 26 3.961 -10.324 -3.571 1.00 0.00 C ATOM 332 CG2 VAL A 26 4.915 -12.207 -2.242 1.00 0.00 C ATOM 0 H VAL A 26 2.461 -13.248 -1.294 1.00 0.00 H new ATOM 0 HA VAL A 26 3.374 -10.534 -0.867 1.00 0.00 H new ATOM 0 HB VAL A 26 3.066 -12.269 -3.351 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.566 -10.618 -4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.040 -9.857 -3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.519 -9.615 -2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.525 -12.501 -3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.467 -11.494 -1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.677 -13.088 -1.646 1.00 0.00 H new ATOM 342 N LYS A 27 0.532 -11.024 -2.449 1.00 0.00 N ATOM 343 CA LYS A 27 -0.673 -10.290 -2.929 1.00 0.00 C ATOM 344 C LYS A 27 -1.318 -9.542 -1.761 1.00 0.00 C ATOM 345 O LYS A 27 -1.600 -8.363 -1.852 1.00 0.00 O ATOM 346 CB LYS A 27 -1.675 -11.289 -3.518 1.00 0.00 C ATOM 347 CG LYS A 27 -1.118 -11.868 -4.828 1.00 0.00 C ATOM 348 CD LYS A 27 -1.795 -13.206 -5.146 1.00 0.00 C ATOM 349 CE LYS A 27 -3.313 -13.022 -5.220 1.00 0.00 C ATOM 350 NZ LYS A 27 -3.635 -11.922 -6.172 1.00 0.00 N ATOM 0 H LYS A 27 0.474 -12.041 -2.501 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.381 -9.573 -3.696 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.865 -12.092 -2.806 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.629 -10.796 -3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.284 -11.165 -5.644 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.040 -12.009 -4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.421 -13.596 -6.093 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.547 -13.940 -4.379 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.787 -13.948 -5.545 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.710 -12.790 -4.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.499 -12.161 -6.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.784 -11.038 -5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.847 -11.798 -6.839 1.00 0.00 H new ATOM 364 N ASP A 28 -1.543 -10.203 -0.660 1.00 0.00 N ATOM 365 CA ASP A 28 -2.156 -9.505 0.501 1.00 0.00 C ATOM 366 C ASP A 28 -1.268 -8.318 0.881 1.00 0.00 C ATOM 367 O ASP A 28 -1.737 -7.284 1.314 1.00 0.00 O ATOM 368 CB ASP A 28 -2.252 -10.470 1.686 1.00 0.00 C ATOM 369 CG ASP A 28 -3.076 -11.693 1.284 1.00 0.00 C ATOM 370 OD1 ASP A 28 -3.096 -12.008 0.105 1.00 0.00 O ATOM 371 OD2 ASP A 28 -3.673 -12.295 2.161 1.00 0.00 O ATOM 0 H ASP A 28 -1.330 -11.190 -0.515 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.156 -9.157 0.241 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.254 -10.778 1.999 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.714 -9.971 2.538 1.00 0.00 H new ATOM 376 N ALA A 29 0.018 -8.467 0.711 1.00 0.00 N ATOM 377 CA ALA A 29 0.963 -7.368 1.040 1.00 0.00 C ATOM 378 C ALA A 29 0.746 -6.207 0.084 1.00 0.00 C ATOM 379 O ALA A 29 0.597 -5.074 0.493 1.00 0.00 O ATOM 380 CB ALA A 29 2.398 -7.895 0.924 1.00 0.00 C ATOM 0 H ALA A 29 0.457 -9.316 0.353 1.00 0.00 H new ATOM 0 HA ALA A 29 0.790 -7.017 2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.100 -7.096 1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.539 -8.722 1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.577 -8.242 -0.094 1.00 0.00 H new ATOM 386 N LEU A 30 0.733 -6.469 -1.186 1.00 0.00 N ATOM 387 CA LEU A 30 0.531 -5.363 -2.144 1.00 0.00 C ATOM 388 C LEU A 30 -0.820 -4.691 -1.868 1.00 0.00 C ATOM 389 O LEU A 30 -0.921 -3.483 -1.813 1.00 0.00 O ATOM 390 CB LEU A 30 0.582 -5.901 -3.573 1.00 0.00 C ATOM 391 CG LEU A 30 1.931 -6.600 -3.814 1.00 0.00 C ATOM 392 CD1 LEU A 30 1.828 -7.508 -5.044 1.00 0.00 C ATOM 393 CD2 LEU A 30 3.031 -5.563 -4.058 1.00 0.00 C ATOM 0 H LEU A 30 0.853 -7.394 -1.598 1.00 0.00 H new ATOM 0 HA LEU A 30 1.323 -4.624 -2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.237 -6.602 -3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.452 -5.085 -4.284 1.00 0.00 H new ATOM 0 HG LEU A 30 2.178 -7.190 -2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.785 -8.002 -5.213 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.056 -8.259 -4.878 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.570 -6.909 -5.918 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.980 -6.072 -4.227 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.779 -4.965 -4.934 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.118 -4.913 -3.187 1.00 0.00 H new ATOM 405 N THR A 31 -1.853 -5.467 -1.679 1.00 0.00 N ATOM 406 CA THR A 31 -3.189 -4.872 -1.389 1.00 0.00 C ATOM 407 C THR A 31 -3.103 -4.042 -0.103 1.00 0.00 C ATOM 408 O THR A 31 -3.745 -3.022 0.036 1.00 0.00 O ATOM 409 CB THR A 31 -4.216 -5.991 -1.208 1.00 0.00 C ATOM 410 OG1 THR A 31 -3.633 -7.031 -0.445 1.00 0.00 O ATOM 411 CG2 THR A 31 -4.640 -6.534 -2.575 1.00 0.00 C ATOM 0 H THR A 31 -1.830 -6.486 -1.713 1.00 0.00 H new ATOM 0 HA THR A 31 -3.494 -4.232 -2.217 1.00 0.00 H new ATOM 0 HB THR A 31 -5.094 -5.601 -0.694 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.005 -6.649 0.203 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.371 -7.331 -2.439 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.083 -5.731 -3.164 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.768 -6.928 -3.097 1.00 0.00 H new ATOM 419 N LYS A 32 -2.312 -4.470 0.838 1.00 0.00 N ATOM 420 CA LYS A 32 -2.184 -3.699 2.104 1.00 0.00 C ATOM 421 C LYS A 32 -1.654 -2.308 1.765 1.00 0.00 C ATOM 422 O LYS A 32 -2.203 -1.305 2.176 1.00 0.00 O ATOM 423 CB LYS A 32 -1.210 -4.420 3.051 1.00 0.00 C ATOM 424 CG LYS A 32 -1.112 -3.681 4.409 1.00 0.00 C ATOM 425 CD LYS A 32 0.106 -2.741 4.433 1.00 0.00 C ATOM 426 CE LYS A 32 0.294 -2.195 5.849 1.00 0.00 C ATOM 427 NZ LYS A 32 0.541 -3.326 6.788 1.00 0.00 N ATOM 0 H LYS A 32 -1.749 -5.319 0.786 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.152 -3.617 2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.545 -5.444 3.213 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.223 -4.476 2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.023 -3.108 4.583 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.033 -4.407 5.218 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.000 -3.277 4.116 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.039 -1.920 3.731 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.132 -1.498 5.873 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.592 -1.639 6.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.319 -3.079 7.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.320 -3.513 7.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.797 -4.177 6.247 1.00 0.00 H new ATOM 441 N MET A 33 -0.593 -2.241 1.010 1.00 0.00 N ATOM 442 CA MET A 33 -0.034 -0.908 0.639 1.00 0.00 C ATOM 443 C MET A 33 -1.076 -0.111 -0.158 1.00 0.00 C ATOM 444 O MET A 33 -1.144 1.098 -0.068 1.00 0.00 O ATOM 445 CB MET A 33 1.218 -1.090 -0.223 1.00 0.00 C ATOM 446 CG MET A 33 2.257 -1.927 0.534 1.00 0.00 C ATOM 447 SD MET A 33 3.902 -1.613 -0.156 1.00 0.00 S ATOM 448 CE MET A 33 4.703 -3.110 0.474 1.00 0.00 C ATOM 0 H MET A 33 -0.090 -3.045 0.635 1.00 0.00 H new ATOM 0 HA MET A 33 0.224 -0.369 1.551 1.00 0.00 H new ATOM 0 HB2 MET A 33 0.956 -1.581 -1.160 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.638 -0.117 -0.479 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.241 -1.674 1.594 1.00 0.00 H new ATOM 0 HG3 MET A 33 2.014 -2.987 0.455 1.00 0.00 H new ATOM 0 HE1 MET A 33 5.747 -3.123 0.161 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.651 -3.120 1.563 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.194 -3.989 0.078 1.00 0.00 H new ATOM 458 N ARG A 34 -1.884 -0.775 -0.942 1.00 0.00 N ATOM 459 CA ARG A 34 -2.911 -0.046 -1.748 1.00 0.00 C ATOM 460 C ARG A 34 -3.830 0.752 -0.823 1.00 0.00 C ATOM 461 O ARG A 34 -3.951 1.956 -0.944 1.00 0.00 O ATOM 462 CB ARG A 34 -3.744 -1.054 -2.554 1.00 0.00 C ATOM 463 CG ARG A 34 -4.926 -0.336 -3.214 1.00 0.00 C ATOM 464 CD ARG A 34 -5.557 -1.242 -4.272 1.00 0.00 C ATOM 465 NE ARG A 34 -6.621 -0.491 -4.997 1.00 0.00 N ATOM 466 CZ ARG A 34 -7.506 -1.136 -5.709 1.00 0.00 C ATOM 467 NH1 ARG A 34 -7.459 -2.438 -5.785 1.00 0.00 N ATOM 468 NH2 ARG A 34 -8.440 -0.481 -6.346 1.00 0.00 N ATOM 0 H ARG A 34 -1.879 -1.788 -1.060 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.408 0.639 -2.430 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.123 -1.528 -3.314 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.107 -1.846 -1.899 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.668 -0.069 -2.461 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.589 0.594 -3.672 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.796 -1.585 -4.973 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.980 -2.130 -3.801 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.658 0.527 -4.937 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.731 -2.952 -5.288 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.150 -2.942 -6.341 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.479 0.537 -6.288 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.130 -0.987 -6.901 1.00 0.00 H new ATOM 482 N ALA A 35 -4.497 0.096 0.083 1.00 0.00 N ATOM 483 CA ALA A 35 -5.424 0.833 0.992 1.00 0.00 C ATOM 484 C ALA A 35 -4.649 1.890 1.781 1.00 0.00 C ATOM 485 O ALA A 35 -5.193 2.903 2.173 1.00 0.00 O ATOM 486 CB ALA A 35 -6.078 -0.148 1.963 1.00 0.00 C ATOM 0 H ALA A 35 -4.443 -0.911 0.235 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.193 1.323 0.395 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.754 0.392 2.626 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.639 -0.895 1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.308 -0.642 2.555 1.00 0.00 H new ATOM 492 N ALA A 36 -3.385 1.668 2.013 1.00 0.00 N ATOM 493 CA ALA A 36 -2.589 2.673 2.772 1.00 0.00 C ATOM 494 C ALA A 36 -2.612 4.005 2.025 1.00 0.00 C ATOM 495 O ALA A 36 -2.829 5.051 2.604 1.00 0.00 O ATOM 496 CB ALA A 36 -1.145 2.197 2.895 1.00 0.00 C ATOM 0 H ALA A 36 -2.871 0.840 1.712 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.019 2.797 3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.565 2.934 3.451 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.120 1.243 3.422 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.717 2.073 1.900 1.00 0.00 H new ATOM 502 N ALA A 37 -2.386 3.976 0.740 1.00 0.00 N ATOM 503 CA ALA A 37 -2.389 5.240 -0.044 1.00 0.00 C ATOM 504 C ALA A 37 -3.767 5.896 0.055 1.00 0.00 C ATOM 505 O ALA A 37 -3.889 7.067 0.360 1.00 0.00 O ATOM 506 CB ALA A 37 -2.068 4.930 -1.509 1.00 0.00 C ATOM 0 H ALA A 37 -2.200 3.131 0.201 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.636 5.920 0.354 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.070 5.855 -2.085 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.085 4.463 -1.575 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.820 4.251 -1.910 1.00 0.00 H new ATOM 512 N LEU A 38 -4.808 5.150 -0.194 1.00 0.00 N ATOM 513 CA LEU A 38 -6.172 5.740 -0.109 1.00 0.00 C ATOM 514 C LEU A 38 -6.468 6.105 1.345 1.00 0.00 C ATOM 515 O LEU A 38 -6.901 7.193 1.643 1.00 0.00 O ATOM 516 CB LEU A 38 -7.212 4.736 -0.610 1.00 0.00 C ATOM 517 CG LEU A 38 -6.760 4.136 -1.946 1.00 0.00 C ATOM 518 CD1 LEU A 38 -7.760 3.061 -2.383 1.00 0.00 C ATOM 519 CD2 LEU A 38 -6.695 5.237 -3.012 1.00 0.00 C ATOM 0 H LEU A 38 -4.773 4.164 -0.451 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.219 6.633 -0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.349 3.944 0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.177 5.229 -0.731 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.772 3.691 -1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.441 2.632 -3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.804 2.277 -1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.747 3.508 -2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.373 4.807 -3.960 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.681 5.685 -3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.984 6.003 -2.701 1.00 0.00 H new ATOM 531 N ASP A 39 -6.227 5.216 2.260 1.00 0.00 N ATOM 532 CA ASP A 39 -6.503 5.551 3.682 1.00 0.00 C ATOM 533 C ASP A 39 -5.704 6.800 4.047 1.00 0.00 C ATOM 534 O ASP A 39 -6.131 7.619 4.836 1.00 0.00 O ATOM 535 CB ASP A 39 -6.066 4.389 4.577 1.00 0.00 C ATOM 536 CG ASP A 39 -6.697 4.541 5.962 1.00 0.00 C ATOM 537 OD1 ASP A 39 -7.851 4.933 6.026 1.00 0.00 O ATOM 538 OD2 ASP A 39 -6.016 4.264 6.936 1.00 0.00 O ATOM 0 H ASP A 39 -5.855 4.281 2.091 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.569 5.730 3.824 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.367 3.441 4.132 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.979 4.371 4.662 1.00 0.00 H new ATOM 543 N ALA A 40 -4.550 6.948 3.467 1.00 0.00 N ATOM 544 CA ALA A 40 -3.713 8.139 3.757 1.00 0.00 C ATOM 545 C ALA A 40 -4.344 9.379 3.118 1.00 0.00 C ATOM 546 O ALA A 40 -4.016 10.500 3.451 1.00 0.00 O ATOM 547 CB ALA A 40 -2.314 7.922 3.175 1.00 0.00 C ATOM 0 H ALA A 40 -4.148 6.290 2.799 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.646 8.285 4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.694 8.793 3.384 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.864 7.039 3.629 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.387 7.779 2.097 1.00 0.00 H new ATOM 553 N GLN A 41 -5.233 9.187 2.181 1.00 0.00 N ATOM 554 CA GLN A 41 -5.867 10.342 1.503 1.00 0.00 C ATOM 555 C GLN A 41 -6.795 11.075 2.469 1.00 0.00 C ATOM 556 O GLN A 41 -6.582 11.110 3.664 1.00 0.00 O ATOM 557 CB GLN A 41 -6.637 9.834 0.252 1.00 0.00 C ATOM 558 CG GLN A 41 -8.081 9.354 0.597 1.00 0.00 C ATOM 559 CD GLN A 41 -8.454 8.089 -0.201 1.00 0.00 C ATOM 560 OE1 GLN A 41 -9.069 7.189 0.336 1.00 0.00 O ATOM 561 NE2 GLN A 41 -8.110 7.975 -1.454 1.00 0.00 N ATOM 0 H GLN A 41 -5.546 8.272 1.858 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.104 11.050 1.180 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.690 10.633 -0.488 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.083 9.013 -0.204 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.153 9.148 1.665 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.794 10.149 0.377 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.594 8.726 -1.911 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.357 7.135 -1.976 1.00 0.00 H new ATOM 570 N LYS A 42 -7.828 11.642 1.941 1.00 0.00 N ATOM 571 CA LYS A 42 -8.814 12.371 2.784 1.00 0.00 C ATOM 572 C LYS A 42 -9.586 11.352 3.624 1.00 0.00 C ATOM 573 O LYS A 42 -10.800 11.304 3.598 1.00 0.00 O ATOM 574 CB LYS A 42 -9.790 13.142 1.887 1.00 0.00 C ATOM 575 CG LYS A 42 -9.012 13.942 0.832 1.00 0.00 C ATOM 576 CD LYS A 42 -9.985 14.571 -0.178 1.00 0.00 C ATOM 577 CE LYS A 42 -10.612 15.842 0.407 1.00 0.00 C ATOM 578 NZ LYS A 42 -11.429 16.516 -0.641 1.00 0.00 N ATOM 0 H LYS A 42 -8.041 11.635 0.944 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.297 13.077 3.435 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.474 12.448 1.398 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.398 13.816 2.491 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.424 14.722 1.316 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.310 13.289 0.314 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.457 14.810 -1.101 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.767 13.856 -0.433 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.236 15.592 1.265 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.832 16.514 0.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.856 17.379 -0.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.821 16.767 -1.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.181 15.873 -0.962 1.00 0.00 H new ATOM 592 N ALA A 43 -8.886 10.533 4.364 1.00 0.00 N ATOM 593 CA ALA A 43 -9.571 9.499 5.210 1.00 0.00 C ATOM 594 C ALA A 43 -8.828 9.367 6.538 1.00 0.00 C ATOM 595 O ALA A 43 -9.407 9.464 7.603 1.00 0.00 O ATOM 596 CB ALA A 43 -9.556 8.154 4.481 1.00 0.00 C ATOM 0 H ALA A 43 -7.868 10.532 4.422 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.603 9.799 5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.053 7.402 5.094 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.079 8.250 3.530 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.525 7.850 4.299 1.00 0.00 H new ATOM 602 N THR A 44 -7.538 9.169 6.478 1.00 0.00 N ATOM 603 CA THR A 44 -6.712 9.051 7.710 1.00 0.00 C ATOM 604 C THR A 44 -5.510 9.977 7.537 1.00 0.00 C ATOM 605 O THR A 44 -4.374 9.544 7.571 1.00 0.00 O ATOM 606 CB THR A 44 -6.227 7.607 7.867 1.00 0.00 C ATOM 607 OG1 THR A 44 -7.328 6.722 7.719 1.00 0.00 O ATOM 608 CG2 THR A 44 -5.604 7.421 9.252 1.00 0.00 C ATOM 0 H THR A 44 -7.014 9.083 5.607 1.00 0.00 H new ATOM 0 HA THR A 44 -7.290 9.322 8.594 1.00 0.00 H new ATOM 0 HB THR A 44 -5.479 7.390 7.104 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.579 6.668 6.773 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.260 6.393 9.361 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.759 8.100 9.365 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.349 7.637 10.018 1.00 0.00 H new ATOM 616 N PRO A 45 -5.765 11.252 7.356 1.00 0.00 N ATOM 617 CA PRO A 45 -4.709 12.276 7.177 1.00 0.00 C ATOM 618 C PRO A 45 -3.436 11.950 7.982 1.00 0.00 C ATOM 619 O PRO A 45 -3.359 12.233 9.162 1.00 0.00 O ATOM 620 CB PRO A 45 -5.378 13.540 7.716 1.00 0.00 C ATOM 621 CG PRO A 45 -6.825 13.386 7.358 1.00 0.00 C ATOM 622 CD PRO A 45 -7.106 11.871 7.295 1.00 0.00 C ATOM 0 HA PRO A 45 -4.372 12.354 6.143 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.244 13.630 8.794 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.952 14.437 7.266 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.461 13.867 8.101 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.039 13.860 6.400 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.733 11.547 8.126 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.628 11.600 6.377 1.00 0.00 H new ATOM 630 N PRO A 46 -2.448 11.360 7.355 1.00 0.00 N ATOM 631 CA PRO A 46 -1.172 10.997 8.040 1.00 0.00 C ATOM 632 C PRO A 46 -0.552 12.208 8.743 1.00 0.00 C ATOM 633 O PRO A 46 -0.371 12.221 9.943 1.00 0.00 O ATOM 634 CB PRO A 46 -0.262 10.495 6.904 1.00 0.00 C ATOM 635 CG PRO A 46 -1.191 10.093 5.801 1.00 0.00 C ATOM 636 CD PRO A 46 -2.431 10.976 5.933 1.00 0.00 C ATOM 0 HA PRO A 46 -1.321 10.249 8.819 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.424 11.276 6.575 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.347 9.653 7.231 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.719 10.230 4.828 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.455 9.039 5.882 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.369 11.850 5.285 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.336 10.436 5.655 1.00 0.00 H new ATOM 644 N LYS A 47 -0.237 13.231 7.994 1.00 0.00 N ATOM 645 CA LYS A 47 0.361 14.453 8.601 1.00 0.00 C ATOM 646 C LYS A 47 -0.061 15.675 7.796 1.00 0.00 C ATOM 647 O LYS A 47 0.596 16.696 7.806 1.00 0.00 O ATOM 648 CB LYS A 47 1.888 14.338 8.607 1.00 0.00 C ATOM 649 CG LYS A 47 2.371 13.859 7.234 1.00 0.00 C ATOM 650 CD LYS A 47 3.908 13.927 7.153 1.00 0.00 C ATOM 651 CE LYS A 47 4.357 15.330 6.725 1.00 0.00 C ATOM 652 NZ LYS A 47 3.739 15.674 5.412 1.00 0.00 N ATOM 0 H LYS A 47 -0.369 13.272 6.983 1.00 0.00 H new ATOM 0 HA LYS A 47 0.010 14.555 9.628 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.335 15.303 8.845 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.207 13.640 9.380 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.036 12.837 7.060 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.931 14.476 6.451 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.341 13.679 8.122 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.275 13.187 6.441 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.066 16.062 7.478 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.444 15.367 6.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.362 16.328 4.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.607 14.807 4.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.817 16.127 5.571 1.00 0.00 H new ATOM 666 N LEU A 48 -1.173 15.591 7.121 1.00 0.00 N ATOM 667 CA LEU A 48 -1.648 16.765 6.346 1.00 0.00 C ATOM 668 C LEU A 48 -2.170 17.791 7.359 1.00 0.00 C ATOM 669 O LEU A 48 -1.422 18.590 7.890 1.00 0.00 O ATOM 670 CB LEU A 48 -2.783 16.338 5.399 1.00 0.00 C ATOM 671 CG LEU A 48 -2.280 15.285 4.392 1.00 0.00 C ATOM 672 CD1 LEU A 48 -3.482 14.601 3.725 1.00 0.00 C ATOM 673 CD2 LEU A 48 -1.417 15.952 3.310 1.00 0.00 C ATOM 0 H LEU A 48 -1.769 14.764 7.074 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.844 17.188 5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.612 15.930 5.977 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.165 17.208 4.864 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.679 14.548 4.925 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.128 13.856 3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.092 14.114 4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.081 15.347 3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.069 15.197 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.010 16.697 2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.559 16.436 3.776 1.00 0.00 H new ATOM 685 N GLU A 49 -3.434 17.748 7.660 1.00 0.00 N ATOM 686 CA GLU A 49 -4.008 18.686 8.669 1.00 0.00 C ATOM 687 C GLU A 49 -3.489 20.107 8.432 1.00 0.00 C ATOM 688 O GLU A 49 -3.421 20.909 9.343 1.00 0.00 O ATOM 689 CB GLU A 49 -3.604 18.214 10.073 1.00 0.00 C ATOM 690 CG GLU A 49 -4.570 18.789 11.117 1.00 0.00 C ATOM 691 CD GLU A 49 -3.941 18.688 12.510 1.00 0.00 C ATOM 692 OE1 GLU A 49 -3.224 19.602 12.882 1.00 0.00 O ATOM 693 OE2 GLU A 49 -4.189 17.698 13.179 1.00 0.00 O ATOM 0 H GLU A 49 -4.104 17.098 7.248 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.094 18.695 8.577 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.614 17.125 10.117 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.585 18.532 10.294 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.796 19.829 10.884 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.514 18.244 11.093 1.00 0.00 H new ATOM 700 N ASP A 50 -3.126 20.432 7.226 1.00 0.00 N ATOM 701 CA ASP A 50 -2.617 21.806 6.961 1.00 0.00 C ATOM 702 C ASP A 50 -2.439 22.002 5.456 1.00 0.00 C ATOM 703 O ASP A 50 -1.630 22.794 5.016 1.00 0.00 O ATOM 704 CB ASP A 50 -1.266 22.002 7.675 1.00 0.00 C ATOM 705 CG ASP A 50 -1.024 23.494 7.936 1.00 0.00 C ATOM 706 OD1 ASP A 50 -1.873 24.112 8.556 1.00 0.00 O ATOM 707 OD2 ASP A 50 0.008 23.989 7.514 1.00 0.00 O ATOM 0 H ASP A 50 -3.158 19.812 6.416 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.332 22.538 7.338 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.260 21.454 8.617 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.460 21.595 7.064 1.00 0.00 H new ATOM 712 N LYS A 51 -3.192 21.291 4.657 1.00 0.00 N ATOM 713 CA LYS A 51 -3.061 21.447 3.178 1.00 0.00 C ATOM 714 C LYS A 51 -4.420 21.246 2.514 1.00 0.00 C ATOM 715 O LYS A 51 -4.933 22.139 1.874 1.00 0.00 O ATOM 716 CB LYS A 51 -2.061 20.418 2.637 1.00 0.00 C ATOM 717 CG LYS A 51 -0.630 20.872 2.948 1.00 0.00 C ATOM 718 CD LYS A 51 0.363 19.937 2.257 1.00 0.00 C ATOM 719 CE LYS A 51 1.790 20.344 2.628 1.00 0.00 C ATOM 720 NZ LYS A 51 2.046 20.009 4.058 1.00 0.00 N ATOM 0 H LYS A 51 -3.889 20.612 4.963 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.700 22.451 2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.249 19.443 3.087 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.190 20.303 1.561 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.480 21.896 2.606 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.461 20.867 4.025 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.178 18.906 2.558 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.230 19.982 1.176 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.505 19.827 1.988 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.930 21.412 2.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.396 20.853 4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.163 19.687 4.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.758 19.253 4.115 1.00 0.00 H new ATOM 734 N SER A 52 -5.021 20.094 2.644 1.00 0.00 N ATOM 735 CA SER A 52 -6.342 19.908 1.985 1.00 0.00 C ATOM 736 C SER A 52 -6.163 20.232 0.498 1.00 0.00 C ATOM 737 O SER A 52 -5.060 20.470 0.055 1.00 0.00 O ATOM 738 CB SER A 52 -7.342 20.872 2.646 1.00 0.00 C ATOM 739 OG SER A 52 -8.582 20.209 2.856 1.00 0.00 O ATOM 0 H SER A 52 -4.664 19.293 3.165 1.00 0.00 H new ATOM 0 HA SER A 52 -6.717 18.890 2.088 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.944 21.228 3.596 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.490 21.748 2.014 1.00 0.00 H new ATOM 0 HG SER A 52 -9.215 20.826 3.279 1.00 0.00 H new ATOM 745 N PRO A 53 -7.223 20.248 -0.262 1.00 0.00 N ATOM 746 CA PRO A 53 -7.157 20.568 -1.722 1.00 0.00 C ATOM 747 C PRO A 53 -6.570 21.967 -1.973 1.00 0.00 C ATOM 748 O PRO A 53 -7.198 22.822 -2.566 1.00 0.00 O ATOM 749 CB PRO A 53 -8.624 20.482 -2.174 1.00 0.00 C ATOM 750 CG PRO A 53 -9.271 19.603 -1.156 1.00 0.00 C ATOM 751 CD PRO A 53 -8.597 19.949 0.161 1.00 0.00 C ATOM 0 HA PRO A 53 -6.504 19.890 -2.271 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.090 21.467 -2.203 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.708 20.060 -3.175 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.345 19.783 -1.107 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.135 18.550 -1.402 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.068 20.803 0.647 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.634 19.120 0.867 1.00 0.00 H new ATOM 759 N ASP A 54 -5.364 22.191 -1.514 1.00 0.00 N ATOM 760 CA ASP A 54 -4.690 23.510 -1.693 1.00 0.00 C ATOM 761 C ASP A 54 -3.334 23.291 -2.365 1.00 0.00 C ATOM 762 O ASP A 54 -2.435 22.719 -1.782 1.00 0.00 O ATOM 763 CB ASP A 54 -4.467 24.155 -0.319 1.00 0.00 C ATOM 764 CG ASP A 54 -3.736 25.486 -0.496 1.00 0.00 C ATOM 765 OD1 ASP A 54 -4.084 26.216 -1.412 1.00 0.00 O ATOM 766 OD2 ASP A 54 -2.838 25.755 0.283 1.00 0.00 O ATOM 0 H ASP A 54 -4.808 21.499 -1.012 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.311 24.160 -2.310 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.423 24.316 0.179 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.884 23.489 0.317 1.00 0.00 H new ATOM 771 N SER A 55 -3.179 23.744 -3.585 1.00 0.00 N ATOM 772 CA SER A 55 -1.877 23.581 -4.311 1.00 0.00 C ATOM 773 C SER A 55 -1.820 22.160 -4.921 1.00 0.00 C ATOM 774 O SER A 55 -2.804 21.449 -4.888 1.00 0.00 O ATOM 775 CB SER A 55 -0.708 23.833 -3.338 1.00 0.00 C ATOM 776 OG SER A 55 -1.155 24.658 -2.269 1.00 0.00 O ATOM 0 H SER A 55 -3.905 24.225 -4.116 1.00 0.00 H new ATOM 0 HA SER A 55 -1.795 24.306 -5.120 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.333 22.886 -2.949 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.119 24.313 -3.862 1.00 0.00 H new ATOM 0 HG SER A 55 -1.361 24.101 -1.490 1.00 0.00 H new ATOM 782 N PRO A 56 -0.698 21.734 -5.483 1.00 0.00 N ATOM 783 CA PRO A 56 -0.591 20.369 -6.097 1.00 0.00 C ATOM 784 C PRO A 56 -1.003 19.244 -5.144 1.00 0.00 C ATOM 785 O PRO A 56 -0.933 18.081 -5.487 1.00 0.00 O ATOM 786 CB PRO A 56 0.895 20.243 -6.459 1.00 0.00 C ATOM 787 CG PRO A 56 1.346 21.649 -6.655 1.00 0.00 C ATOM 788 CD PRO A 56 0.580 22.470 -5.618 1.00 0.00 C ATOM 0 HA PRO A 56 -1.263 20.270 -6.949 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.458 19.752 -5.665 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.035 19.650 -7.363 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.423 21.740 -6.511 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.130 21.993 -7.666 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.116 22.524 -4.670 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.421 23.495 -5.953 1.00 0.00 H new ATOM 796 N GLU A 57 -1.439 19.573 -3.958 1.00 0.00 N ATOM 797 CA GLU A 57 -1.863 18.503 -3.003 1.00 0.00 C ATOM 798 C GLU A 57 -2.781 17.528 -3.748 1.00 0.00 C ATOM 799 O GLU A 57 -2.722 16.332 -3.559 1.00 0.00 O ATOM 800 CB GLU A 57 -2.615 19.133 -1.818 1.00 0.00 C ATOM 801 CG GLU A 57 -3.266 18.043 -0.957 1.00 0.00 C ATOM 802 CD GLU A 57 -2.215 17.006 -0.554 1.00 0.00 C ATOM 803 OE1 GLU A 57 -1.985 16.090 -1.327 1.00 0.00 O ATOM 804 OE2 GLU A 57 -1.659 17.145 0.524 1.00 0.00 O ATOM 0 H GLU A 57 -1.520 20.528 -3.609 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.991 17.973 -2.619 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.925 19.720 -1.212 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.378 19.818 -2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.712 18.487 -0.067 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.072 17.562 -1.511 1.00 0.00 H new ATOM 811 N MET A 58 -3.621 18.047 -4.601 1.00 0.00 N ATOM 812 CA MET A 58 -4.549 17.182 -5.384 1.00 0.00 C ATOM 813 C MET A 58 -3.757 16.289 -6.345 1.00 0.00 C ATOM 814 O MET A 58 -3.886 15.082 -6.331 1.00 0.00 O ATOM 815 CB MET A 58 -5.498 18.074 -6.196 1.00 0.00 C ATOM 816 CG MET A 58 -6.569 18.682 -5.280 1.00 0.00 C ATOM 817 SD MET A 58 -7.127 20.261 -5.973 1.00 0.00 S ATOM 818 CE MET A 58 -8.363 19.590 -7.113 1.00 0.00 C ATOM 0 H MET A 58 -3.705 19.046 -4.791 1.00 0.00 H new ATOM 0 HA MET A 58 -5.116 16.553 -4.698 1.00 0.00 H new ATOM 0 HB2 MET A 58 -4.933 18.868 -6.684 1.00 0.00 H new ATOM 0 HB3 MET A 58 -5.973 17.490 -6.984 1.00 0.00 H new ATOM 0 HG2 MET A 58 -7.411 17.997 -5.182 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.164 18.834 -4.279 1.00 0.00 H new ATOM 0 HE1 MET A 58 -8.840 20.407 -7.655 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.878 18.919 -7.822 1.00 0.00 H new ATOM 0 HE3 MET A 58 -9.117 19.040 -6.550 1.00 0.00 H new ATOM 828 N LYS A 59 -2.963 16.872 -7.206 1.00 0.00 N ATOM 829 CA LYS A 59 -2.205 16.049 -8.192 1.00 0.00 C ATOM 830 C LYS A 59 -1.230 15.109 -7.493 1.00 0.00 C ATOM 831 O LYS A 59 -1.254 13.920 -7.716 1.00 0.00 O ATOM 832 CB LYS A 59 -1.422 16.959 -9.135 1.00 0.00 C ATOM 833 CG LYS A 59 -2.320 18.095 -9.628 1.00 0.00 C ATOM 834 CD LYS A 59 -1.530 18.997 -10.591 1.00 0.00 C ATOM 835 CE LYS A 59 -1.639 18.468 -12.026 1.00 0.00 C ATOM 836 NZ LYS A 59 -3.003 18.749 -12.558 1.00 0.00 N ATOM 0 H LYS A 59 -2.808 17.878 -7.268 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.926 15.455 -8.754 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.553 17.368 -8.621 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.049 16.384 -9.983 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.196 17.687 -10.132 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.682 18.679 -8.782 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.913 20.016 -10.542 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.483 19.035 -10.289 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.887 18.941 -12.657 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.443 17.396 -12.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.981 18.728 -13.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.666 18.027 -12.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.314 19.688 -12.237 1.00 0.00 H new ATOM 850 N ASP A 60 -0.363 15.608 -6.658 1.00 0.00 N ATOM 851 CA ASP A 60 0.598 14.677 -5.991 1.00 0.00 C ATOM 852 C ASP A 60 -0.193 13.549 -5.342 1.00 0.00 C ATOM 853 O ASP A 60 0.246 12.428 -5.300 1.00 0.00 O ATOM 854 CB ASP A 60 1.410 15.387 -4.908 1.00 0.00 C ATOM 855 CG ASP A 60 2.449 14.417 -4.341 1.00 0.00 C ATOM 856 OD1 ASP A 60 3.517 14.315 -4.923 1.00 0.00 O ATOM 857 OD2 ASP A 60 2.159 13.790 -3.335 1.00 0.00 O ATOM 0 H ASP A 60 -0.275 16.594 -6.410 1.00 0.00 H new ATOM 0 HA ASP A 60 1.288 14.298 -6.744 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.904 16.265 -5.324 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.751 15.738 -4.114 1.00 0.00 H new ATOM 862 N PHE A 61 -1.372 13.831 -4.862 1.00 0.00 N ATOM 863 CA PHE A 61 -2.193 12.763 -4.250 1.00 0.00 C ATOM 864 C PHE A 61 -2.648 11.852 -5.378 1.00 0.00 C ATOM 865 O PHE A 61 -2.434 10.659 -5.358 1.00 0.00 O ATOM 866 CB PHE A 61 -3.391 13.406 -3.527 1.00 0.00 C ATOM 867 CG PHE A 61 -4.562 12.450 -3.421 1.00 0.00 C ATOM 868 CD1 PHE A 61 -4.342 11.085 -3.210 1.00 0.00 C ATOM 869 CD2 PHE A 61 -5.867 12.940 -3.539 1.00 0.00 C ATOM 870 CE1 PHE A 61 -5.430 10.207 -3.117 1.00 0.00 C ATOM 871 CE2 PHE A 61 -6.953 12.067 -3.446 1.00 0.00 C ATOM 872 CZ PHE A 61 -6.737 10.698 -3.236 1.00 0.00 C ATOM 0 H PHE A 61 -1.798 14.758 -4.870 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.633 12.185 -3.515 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.087 13.721 -2.529 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.701 14.303 -4.063 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.334 10.708 -3.119 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.035 13.994 -3.702 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.261 9.153 -2.954 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.960 12.447 -3.536 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.577 10.023 -3.166 1.00 0.00 H new ATOM 882 N ARG A 62 -3.261 12.420 -6.376 1.00 0.00 N ATOM 883 CA ARG A 62 -3.714 11.595 -7.511 1.00 0.00 C ATOM 884 C ARG A 62 -2.494 10.941 -8.161 1.00 0.00 C ATOM 885 O ARG A 62 -2.409 9.735 -8.275 1.00 0.00 O ATOM 886 CB ARG A 62 -4.457 12.468 -8.525 1.00 0.00 C ATOM 887 CG ARG A 62 -5.779 12.986 -7.907 1.00 0.00 C ATOM 888 CD ARG A 62 -6.824 13.203 -9.004 1.00 0.00 C ATOM 889 NE ARG A 62 -7.820 14.215 -8.548 1.00 0.00 N ATOM 890 CZ ARG A 62 -8.979 14.302 -9.143 1.00 0.00 C ATOM 891 NH1 ARG A 62 -9.262 13.506 -10.139 1.00 0.00 N ATOM 892 NH2 ARG A 62 -9.858 15.184 -8.746 1.00 0.00 N ATOM 0 H ARG A 62 -3.464 13.417 -6.449 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.397 10.821 -7.161 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.830 13.309 -8.822 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.668 11.893 -9.427 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.152 12.270 -7.175 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.599 13.920 -7.375 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.340 13.541 -9.921 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.325 12.263 -9.235 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.596 14.838 -7.772 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.578 12.817 -10.451 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.167 13.573 -10.604 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.640 15.807 -7.969 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.762 15.249 -9.213 1.00 0.00 H new ATOM 906 N HIS A 63 -1.539 11.730 -8.572 1.00 0.00 N ATOM 907 CA HIS A 63 -0.314 11.163 -9.196 1.00 0.00 C ATOM 908 C HIS A 63 0.453 10.328 -8.153 1.00 0.00 C ATOM 909 O HIS A 63 1.270 9.495 -8.493 1.00 0.00 O ATOM 910 CB HIS A 63 0.565 12.325 -9.703 1.00 0.00 C ATOM 911 CG HIS A 63 1.347 11.911 -10.923 1.00 0.00 C ATOM 912 ND1 HIS A 63 1.934 12.841 -11.766 1.00 0.00 N ATOM 913 CD2 HIS A 63 1.640 10.681 -11.458 1.00 0.00 C ATOM 914 CE1 HIS A 63 2.544 12.163 -12.755 1.00 0.00 C ATOM 915 NE2 HIS A 63 2.396 10.841 -12.615 1.00 0.00 N ATOM 0 H HIS A 63 -1.556 12.747 -8.501 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.580 10.517 -10.033 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.062 13.184 -9.942 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.250 12.639 -8.916 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.331 9.733 -11.044 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.087 12.629 -13.564 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.759 10.108 -13.225 1.00 0.00 H new ATOM 923 N GLY A 64 0.206 10.556 -6.886 1.00 0.00 N ATOM 924 CA GLY A 64 0.935 9.789 -5.825 1.00 0.00 C ATOM 925 C GLY A 64 0.311 8.402 -5.642 1.00 0.00 C ATOM 926 O GLY A 64 0.965 7.392 -5.821 1.00 0.00 O ATOM 0 H GLY A 64 -0.468 11.239 -6.540 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.986 9.689 -6.097 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.901 10.337 -4.883 1.00 0.00 H new ATOM 930 N PHE A 65 -0.940 8.335 -5.275 1.00 0.00 N ATOM 931 CA PHE A 65 -1.579 7.004 -5.075 1.00 0.00 C ATOM 932 C PHE A 65 -1.656 6.278 -6.426 1.00 0.00 C ATOM 933 O PHE A 65 -1.804 5.075 -6.488 1.00 0.00 O ATOM 934 CB PHE A 65 -2.982 7.184 -4.430 1.00 0.00 C ATOM 935 CG PHE A 65 -4.087 7.226 -5.472 1.00 0.00 C ATOM 936 CD1 PHE A 65 -4.506 6.043 -6.082 1.00 0.00 C ATOM 937 CD2 PHE A 65 -4.695 8.440 -5.812 1.00 0.00 C ATOM 938 CE1 PHE A 65 -5.529 6.068 -7.037 1.00 0.00 C ATOM 939 CE2 PHE A 65 -5.721 8.467 -6.765 1.00 0.00 C ATOM 940 CZ PHE A 65 -6.136 7.280 -7.379 1.00 0.00 C ATOM 0 H PHE A 65 -1.544 9.140 -5.106 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.984 6.395 -4.395 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.169 6.365 -3.736 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.998 8.105 -3.848 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.040 5.106 -5.817 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.373 9.356 -5.339 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.849 5.151 -7.510 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.192 9.403 -7.026 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.925 7.300 -8.117 1.00 0.00 H new ATOM 950 N ASP A 66 -1.533 7.001 -7.506 1.00 0.00 N ATOM 951 CA ASP A 66 -1.578 6.350 -8.845 1.00 0.00 C ATOM 952 C ASP A 66 -0.308 5.529 -9.036 1.00 0.00 C ATOM 953 O ASP A 66 -0.347 4.387 -9.448 1.00 0.00 O ATOM 954 CB ASP A 66 -1.670 7.420 -9.934 1.00 0.00 C ATOM 955 CG ASP A 66 -1.598 6.756 -11.310 1.00 0.00 C ATOM 956 OD1 ASP A 66 -2.256 5.745 -11.493 1.00 0.00 O ATOM 957 OD2 ASP A 66 -0.886 7.269 -12.157 1.00 0.00 O ATOM 0 H ASP A 66 -1.404 8.013 -7.518 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.451 5.700 -8.912 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.603 7.975 -9.835 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.858 8.138 -9.822 1.00 0.00 H new ATOM 962 N ILE A 67 0.817 6.100 -8.723 1.00 0.00 N ATOM 963 CA ILE A 67 2.094 5.352 -8.865 1.00 0.00 C ATOM 964 C ILE A 67 2.026 4.112 -7.978 1.00 0.00 C ATOM 965 O ILE A 67 2.295 3.015 -8.415 1.00 0.00 O ATOM 966 CB ILE A 67 3.253 6.254 -8.445 1.00 0.00 C ATOM 967 CG1 ILE A 67 3.347 7.434 -9.428 1.00 0.00 C ATOM 968 CG2 ILE A 67 4.561 5.458 -8.467 1.00 0.00 C ATOM 969 CD1 ILE A 67 4.127 8.582 -8.782 1.00 0.00 C ATOM 0 H ILE A 67 0.909 7.054 -8.374 1.00 0.00 H new ATOM 0 HA ILE A 67 2.251 5.046 -9.899 1.00 0.00 H new ATOM 0 HB ILE A 67 3.083 6.628 -7.435 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.842 7.117 -10.346 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.348 7.770 -9.704 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.386 6.105 -8.167 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.488 4.619 -7.775 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.742 5.083 -9.474 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.192 9.416 -9.481 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.614 8.906 -7.876 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.131 8.242 -8.528 1.00 0.00 H new ATOM 981 N LEU A 68 1.638 4.283 -6.740 1.00 0.00 N ATOM 982 CA LEU A 68 1.519 3.117 -5.821 1.00 0.00 C ATOM 983 C LEU A 68 0.529 2.127 -6.435 1.00 0.00 C ATOM 984 O LEU A 68 0.807 0.955 -6.567 1.00 0.00 O ATOM 985 CB LEU A 68 0.999 3.603 -4.455 1.00 0.00 C ATOM 986 CG LEU A 68 2.167 4.145 -3.603 1.00 0.00 C ATOM 987 CD1 LEU A 68 1.634 5.129 -2.558 1.00 0.00 C ATOM 988 CD2 LEU A 68 2.875 2.992 -2.877 1.00 0.00 C ATOM 0 H LEU A 68 1.398 5.184 -6.327 1.00 0.00 H new ATOM 0 HA LEU A 68 2.487 2.635 -5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.251 4.383 -4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.507 2.783 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 68 2.872 4.648 -4.264 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.462 5.508 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.139 5.960 -3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.921 4.620 -1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.696 3.388 -2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.165 2.482 -2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.266 2.286 -3.610 1.00 0.00 H new ATOM 1000 N VAL A 69 -0.618 2.591 -6.835 1.00 0.00 N ATOM 1001 CA VAL A 69 -1.603 1.674 -7.463 1.00 0.00 C ATOM 1002 C VAL A 69 -0.999 1.144 -8.774 1.00 0.00 C ATOM 1003 O VAL A 69 -1.230 0.018 -9.171 1.00 0.00 O ATOM 1004 CB VAL A 69 -2.913 2.449 -7.734 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -3.714 1.790 -8.864 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -3.763 2.465 -6.457 1.00 0.00 C ATOM 0 H VAL A 69 -0.916 3.563 -6.755 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.830 0.834 -6.806 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.660 3.466 -8.033 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.631 2.353 -9.036 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.117 1.781 -9.776 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.964 0.767 -8.584 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.688 3.010 -6.643 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.998 1.442 -6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.208 2.954 -5.657 1.00 0.00 H new ATOM 1016 N GLY A 70 -0.238 1.964 -9.448 1.00 0.00 N ATOM 1017 CA GLY A 70 0.380 1.546 -10.741 1.00 0.00 C ATOM 1018 C GLY A 70 1.388 0.403 -10.546 1.00 0.00 C ATOM 1019 O GLY A 70 1.487 -0.482 -11.371 1.00 0.00 O ATOM 0 H GLY A 70 -0.016 2.915 -9.155 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.401 1.228 -11.432 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.881 2.399 -11.197 1.00 0.00 H new ATOM 1023 N GLN A 71 2.153 0.412 -9.481 1.00 0.00 N ATOM 1024 CA GLN A 71 3.159 -0.675 -9.275 1.00 0.00 C ATOM 1025 C GLN A 71 2.502 -1.836 -8.540 1.00 0.00 C ATOM 1026 O GLN A 71 2.926 -2.970 -8.640 1.00 0.00 O ATOM 1027 CB GLN A 71 4.350 -0.141 -8.466 1.00 0.00 C ATOM 1028 CG GLN A 71 3.858 0.511 -7.168 1.00 0.00 C ATOM 1029 CD GLN A 71 4.949 1.423 -6.596 1.00 0.00 C ATOM 1030 OE1 GLN A 71 4.720 2.706 -6.470 1.00 0.00 O flip ATOM 1031 NE2 GLN A 71 6.022 0.964 -6.260 1.00 0.00 N flip ATOM 0 H GLN A 71 2.124 1.122 -8.749 1.00 0.00 H new ATOM 0 HA GLN A 71 3.523 -1.022 -10.242 1.00 0.00 H new ATOM 0 HB2 GLN A 71 5.037 -0.955 -8.235 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.905 0.586 -9.059 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.954 1.088 -7.361 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.597 -0.258 -6.441 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.202 -0.035 -6.357 1.00 0.00 H new ATOM 0 HE22 GLN A 71 6.743 1.578 -5.880 1.00 0.00 H new ATOM 1040 N ILE A 72 1.459 -1.565 -7.820 1.00 0.00 N ATOM 1041 CA ILE A 72 0.759 -2.655 -7.097 1.00 0.00 C ATOM 1042 C ILE A 72 0.171 -3.601 -8.138 1.00 0.00 C ATOM 1043 O ILE A 72 0.234 -4.806 -8.008 1.00 0.00 O ATOM 1044 CB ILE A 72 -0.344 -2.033 -6.232 1.00 0.00 C ATOM 1045 CG1 ILE A 72 0.304 -1.427 -4.971 1.00 0.00 C ATOM 1046 CG2 ILE A 72 -1.398 -3.090 -5.835 1.00 0.00 C ATOM 1047 CD1 ILE A 72 -0.643 -0.429 -4.289 1.00 0.00 C ATOM 0 H ILE A 72 1.059 -0.635 -7.699 1.00 0.00 H new ATOM 0 HA ILE A 72 1.436 -3.211 -6.449 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.854 -1.256 -6.802 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.563 -2.223 -4.273 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.233 -0.925 -5.241 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.169 -2.623 -5.222 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.852 -3.506 -6.734 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.918 -3.888 -5.268 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.161 -0.017 -3.403 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.880 0.379 -4.981 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.561 -0.939 -3.998 1.00 0.00 H new ATOM 1059 N ASP A 73 -0.374 -3.059 -9.189 1.00 0.00 N ATOM 1060 CA ASP A 73 -0.932 -3.922 -10.255 1.00 0.00 C ATOM 1061 C ASP A 73 0.225 -4.649 -10.936 1.00 0.00 C ATOM 1062 O ASP A 73 0.171 -5.837 -11.173 1.00 0.00 O ATOM 1063 CB ASP A 73 -1.673 -3.061 -11.281 1.00 0.00 C ATOM 1064 CG ASP A 73 -2.349 -3.965 -12.312 1.00 0.00 C ATOM 1065 OD1 ASP A 73 -2.774 -5.044 -11.934 1.00 0.00 O ATOM 1066 OD2 ASP A 73 -2.428 -3.565 -13.462 1.00 0.00 O ATOM 0 H ASP A 73 -0.456 -2.056 -9.353 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.631 -4.641 -9.829 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.417 -2.441 -10.781 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.976 -2.385 -11.776 1.00 0.00 H new ATOM 1071 N ASP A 74 1.279 -3.936 -11.247 1.00 0.00 N ATOM 1072 CA ASP A 74 2.451 -4.577 -11.910 1.00 0.00 C ATOM 1073 C ASP A 74 3.055 -5.654 -10.997 1.00 0.00 C ATOM 1074 O ASP A 74 3.454 -6.707 -11.443 1.00 0.00 O ATOM 1075 CB ASP A 74 3.511 -3.520 -12.211 1.00 0.00 C ATOM 1076 CG ASP A 74 2.836 -2.253 -12.739 1.00 0.00 C ATOM 1077 OD1 ASP A 74 1.660 -2.321 -13.057 1.00 0.00 O ATOM 1078 OD2 ASP A 74 3.505 -1.236 -12.818 1.00 0.00 O ATOM 0 H ASP A 74 1.376 -2.936 -11.069 1.00 0.00 H new ATOM 0 HA ASP A 74 2.118 -5.041 -12.839 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.079 -3.293 -11.309 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.220 -3.900 -12.947 1.00 0.00 H new ATOM 1083 N ALA A 75 3.154 -5.384 -9.724 1.00 0.00 N ATOM 1084 CA ALA A 75 3.758 -6.380 -8.795 1.00 0.00 C ATOM 1085 C ALA A 75 2.800 -7.546 -8.567 1.00 0.00 C ATOM 1086 O ALA A 75 3.211 -8.675 -8.391 1.00 0.00 O ATOM 1087 CB ALA A 75 4.059 -5.709 -7.456 1.00 0.00 C ATOM 0 H ALA A 75 2.843 -4.516 -9.287 1.00 0.00 H new ATOM 0 HA ALA A 75 4.679 -6.759 -9.238 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.501 -6.437 -6.776 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.757 -4.886 -7.610 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.134 -5.325 -7.026 1.00 0.00 H new ATOM 1093 N LEU A 76 1.525 -7.280 -8.541 1.00 0.00 N ATOM 1094 CA LEU A 76 0.548 -8.372 -8.290 1.00 0.00 C ATOM 1095 C LEU A 76 0.541 -9.352 -9.461 1.00 0.00 C ATOM 1096 O LEU A 76 0.558 -10.551 -9.268 1.00 0.00 O ATOM 1097 CB LEU A 76 -0.852 -7.770 -8.094 1.00 0.00 C ATOM 1098 CG LEU A 76 -1.898 -8.890 -7.835 1.00 0.00 C ATOM 1099 CD1 LEU A 76 -2.897 -8.445 -6.762 1.00 0.00 C ATOM 1100 CD2 LEU A 76 -2.673 -9.207 -9.122 1.00 0.00 C ATOM 0 H LEU A 76 1.118 -6.355 -8.682 1.00 0.00 H new ATOM 0 HA LEU A 76 0.836 -8.913 -7.388 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.840 -7.075 -7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.135 -7.198 -8.978 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.364 -9.779 -7.499 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.624 -9.239 -6.590 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.365 -8.234 -5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.414 -7.546 -7.097 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.401 -9.993 -8.924 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.190 -8.311 -9.465 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.978 -9.542 -9.892 1.00 0.00 H new ATOM 1112 N LYS A 77 0.527 -8.873 -10.673 1.00 0.00 N ATOM 1113 CA LYS A 77 0.532 -9.826 -11.818 1.00 0.00 C ATOM 1114 C LYS A 77 1.779 -10.696 -11.688 1.00 0.00 C ATOM 1115 O LYS A 77 1.762 -11.876 -11.972 1.00 0.00 O ATOM 1116 CB LYS A 77 0.566 -9.076 -13.164 1.00 0.00 C ATOM 1117 CG LYS A 77 1.707 -8.043 -13.174 1.00 0.00 C ATOM 1118 CD LYS A 77 2.125 -7.690 -14.600 1.00 0.00 C ATOM 1119 CE LYS A 77 2.650 -8.936 -15.342 1.00 0.00 C ATOM 1120 NZ LYS A 77 3.168 -9.939 -14.362 1.00 0.00 N ATOM 0 H LYS A 77 0.513 -7.883 -10.919 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.375 -10.430 -11.797 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.702 -9.786 -13.980 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.388 -8.576 -13.333 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.388 -7.141 -12.653 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.564 -8.439 -12.629 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.276 -7.271 -15.139 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.898 -6.922 -14.577 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.851 -9.377 -15.938 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.442 -8.650 -16.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.886 -10.535 -14.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.595 -9.445 -13.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.384 -10.536 -14.029 1.00 0.00 H new ATOM 1134 N LEU A 78 2.865 -10.117 -11.254 1.00 0.00 N ATOM 1135 CA LEU A 78 4.113 -10.891 -11.097 1.00 0.00 C ATOM 1136 C LEU A 78 3.857 -12.004 -10.084 1.00 0.00 C ATOM 1137 O LEU A 78 4.174 -13.143 -10.314 1.00 0.00 O ATOM 1138 CB LEU A 78 5.233 -9.942 -10.616 1.00 0.00 C ATOM 1139 CG LEU A 78 6.576 -10.281 -11.297 1.00 0.00 C ATOM 1140 CD1 LEU A 78 6.928 -11.761 -11.060 1.00 0.00 C ATOM 1141 CD2 LEU A 78 6.508 -9.986 -12.817 1.00 0.00 C ATOM 0 H LEU A 78 2.934 -9.131 -11.001 1.00 0.00 H new ATOM 0 HA LEU A 78 4.426 -11.336 -12.042 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.960 -8.910 -10.836 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.340 -10.019 -9.534 1.00 0.00 H new ATOM 0 HG LEU A 78 7.354 -9.655 -10.859 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.877 -11.991 -11.544 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.012 -11.948 -9.989 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.145 -12.393 -11.478 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.464 -10.232 -13.278 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.721 -10.589 -13.270 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.291 -8.929 -12.973 1.00 0.00 H new ATOM 1153 N ALA A 79 3.266 -11.692 -8.970 1.00 0.00 N ATOM 1154 CA ALA A 79 2.984 -12.764 -7.981 1.00 0.00 C ATOM 1155 C ALA A 79 2.100 -13.814 -8.647 1.00 0.00 C ATOM 1156 O ALA A 79 2.398 -14.987 -8.638 1.00 0.00 O ATOM 1157 CB ALA A 79 2.275 -12.175 -6.759 1.00 0.00 C ATOM 0 H ALA A 79 2.969 -10.754 -8.702 1.00 0.00 H new ATOM 0 HA ALA A 79 3.916 -13.221 -7.649 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.072 -12.968 -6.039 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.912 -11.420 -6.298 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.336 -11.717 -7.069 1.00 0.00 H new ATOM 1163 N ASN A 80 1.020 -13.402 -9.240 1.00 0.00 N ATOM 1164 CA ASN A 80 0.136 -14.379 -9.925 1.00 0.00 C ATOM 1165 C ASN A 80 0.915 -15.063 -11.057 1.00 0.00 C ATOM 1166 O ASN A 80 1.178 -16.248 -11.025 1.00 0.00 O ATOM 1167 CB ASN A 80 -1.072 -13.644 -10.505 1.00 0.00 C ATOM 1168 CG ASN A 80 -2.060 -13.332 -9.389 1.00 0.00 C ATOM 1169 OD1 ASN A 80 -2.529 -12.131 -9.308 1.00 0.00 O flip ATOM 1170 ND2 ASN A 80 -2.405 -14.184 -8.595 1.00 0.00 N flip ATOM 0 H ASN A 80 0.710 -12.431 -9.280 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.203 -15.132 -9.213 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -0.752 -12.722 -10.990 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.551 -14.256 -11.269 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -2.030 -15.130 -8.666 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.070 -13.954 -7.857 1.00 0.00 H new ATOM 1177 N GLU A 81 1.265 -14.310 -12.065 1.00 0.00 N ATOM 1178 CA GLU A 81 2.010 -14.872 -13.233 1.00 0.00 C ATOM 1179 C GLU A 81 3.459 -15.226 -12.847 1.00 0.00 C ATOM 1180 O GLU A 81 4.249 -15.607 -13.685 1.00 0.00 O ATOM 1181 CB GLU A 81 1.996 -13.808 -14.349 1.00 0.00 C ATOM 1182 CG GLU A 81 2.778 -14.261 -15.595 1.00 0.00 C ATOM 1183 CD GLU A 81 2.430 -15.707 -15.951 1.00 0.00 C ATOM 1184 OE1 GLU A 81 1.320 -15.933 -16.404 1.00 0.00 O ATOM 1185 OE2 GLU A 81 3.279 -16.563 -15.766 1.00 0.00 O ATOM 0 H GLU A 81 1.063 -13.312 -12.131 1.00 0.00 H new ATOM 0 HA GLU A 81 1.534 -15.792 -13.572 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.965 -13.591 -14.628 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.426 -12.881 -13.970 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.544 -13.607 -16.435 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.849 -14.173 -15.411 1.00 0.00 H new ATOM 1192 N GLY A 82 3.825 -15.102 -11.591 1.00 0.00 N ATOM 1193 CA GLY A 82 5.238 -15.427 -11.184 1.00 0.00 C ATOM 1194 C GLY A 82 5.269 -16.140 -9.833 1.00 0.00 C ATOM 1195 O GLY A 82 4.289 -16.217 -9.128 1.00 0.00 O ATOM 0 H GLY A 82 3.215 -14.793 -10.834 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.703 -16.057 -11.942 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.824 -14.510 -11.129 1.00 0.00 H new ATOM 1199 N LYS A 83 6.409 -16.658 -9.473 1.00 0.00 N ATOM 1200 CA LYS A 83 6.538 -17.364 -8.168 1.00 0.00 C ATOM 1201 C LYS A 83 6.662 -16.315 -7.064 1.00 0.00 C ATOM 1202 O LYS A 83 6.355 -15.162 -7.269 1.00 0.00 O ATOM 1203 CB LYS A 83 7.793 -18.260 -8.196 1.00 0.00 C ATOM 1204 CG LYS A 83 7.596 -19.487 -7.291 1.00 0.00 C ATOM 1205 CD LYS A 83 8.956 -20.052 -6.871 1.00 0.00 C ATOM 1206 CE LYS A 83 9.729 -20.505 -8.111 1.00 0.00 C ATOM 1207 NZ LYS A 83 10.957 -21.236 -7.690 1.00 0.00 N ATOM 0 H LYS A 83 7.263 -16.623 -10.030 1.00 0.00 H new ATOM 0 HA LYS A 83 5.665 -17.990 -7.982 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.995 -18.582 -9.218 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.661 -17.691 -7.864 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.020 -19.209 -6.408 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.023 -20.250 -7.818 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.525 -19.294 -6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.818 -20.891 -6.190 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.103 -21.149 -8.728 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.997 -19.642 -8.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.483 -21.544 -8.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.556 -20.607 -7.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.690 -22.067 -7.125 1.00 0.00 H new ATOM 1221 N VAL A 84 7.131 -16.691 -5.903 1.00 0.00 N ATOM 1222 CA VAL A 84 7.295 -15.692 -4.810 1.00 0.00 C ATOM 1223 C VAL A 84 8.705 -15.116 -4.912 1.00 0.00 C ATOM 1224 O VAL A 84 8.936 -13.949 -4.663 1.00 0.00 O ATOM 1225 CB VAL A 84 7.068 -16.345 -3.433 1.00 0.00 C ATOM 1226 CG1 VAL A 84 8.240 -17.252 -3.040 1.00 0.00 C ATOM 1227 CG2 VAL A 84 6.920 -15.248 -2.382 1.00 0.00 C ATOM 0 H VAL A 84 7.406 -17.644 -5.666 1.00 0.00 H new ATOM 0 HA VAL A 84 6.556 -14.897 -4.913 1.00 0.00 H new ATOM 0 HB VAL A 84 6.166 -16.955 -3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 84 8.045 -17.695 -2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.353 -18.043 -3.782 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.156 -16.663 -2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.759 -15.701 -1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.827 -14.643 -2.357 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.069 -14.615 -2.634 1.00 0.00 H new ATOM 1237 N LYS A 85 9.643 -15.930 -5.312 1.00 0.00 N ATOM 1238 CA LYS A 85 11.035 -15.451 -5.472 1.00 0.00 C ATOM 1239 C LYS A 85 11.037 -14.390 -6.573 1.00 0.00 C ATOM 1240 O LYS A 85 11.524 -13.294 -6.395 1.00 0.00 O ATOM 1241 CB LYS A 85 11.918 -16.645 -5.864 1.00 0.00 C ATOM 1242 CG LYS A 85 13.374 -16.211 -6.082 1.00 0.00 C ATOM 1243 CD LYS A 85 14.110 -16.109 -4.740 1.00 0.00 C ATOM 1244 CE LYS A 85 15.557 -15.676 -4.987 1.00 0.00 C ATOM 1245 NZ LYS A 85 16.236 -16.679 -5.854 1.00 0.00 N ATOM 0 H LYS A 85 9.498 -16.915 -5.536 1.00 0.00 H new ATOM 0 HA LYS A 85 11.422 -15.018 -4.550 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.875 -17.404 -5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.532 -17.103 -6.775 1.00 0.00 H new ATOM 0 HG2 LYS A 85 13.881 -16.928 -6.728 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.400 -15.248 -6.592 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.609 -15.390 -4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.089 -17.070 -4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 85 15.578 -14.695 -5.462 1.00 0.00 H new ATOM 0 HE3 LYS A 85 16.086 -15.582 -4.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 17.266 -16.609 -5.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.919 -17.635 -5.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.998 -16.495 -6.850 1.00 0.00 H new ATOM 1259 N GLU A 86 10.479 -14.704 -7.709 1.00 0.00 N ATOM 1260 CA GLU A 86 10.434 -13.703 -8.804 1.00 0.00 C ATOM 1261 C GLU A 86 9.647 -12.489 -8.313 1.00 0.00 C ATOM 1262 O GLU A 86 10.002 -11.355 -8.572 1.00 0.00 O ATOM 1263 CB GLU A 86 9.738 -14.309 -10.025 1.00 0.00 C ATOM 1264 CG GLU A 86 10.340 -15.682 -10.330 1.00 0.00 C ATOM 1265 CD GLU A 86 11.836 -15.533 -10.608 1.00 0.00 C ATOM 1266 OE1 GLU A 86 12.181 -14.769 -11.494 1.00 0.00 O ATOM 1267 OE2 GLU A 86 12.613 -16.186 -9.929 1.00 0.00 O ATOM 0 H GLU A 86 10.055 -15.607 -7.923 1.00 0.00 H new ATOM 0 HA GLU A 86 11.445 -13.406 -9.085 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.668 -14.403 -9.837 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.853 -13.651 -10.886 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.181 -16.356 -9.488 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.842 -16.126 -11.192 1.00 0.00 H new ATOM 1274 N ALA A 87 8.577 -12.723 -7.600 1.00 0.00 N ATOM 1275 CA ALA A 87 7.761 -11.585 -7.084 1.00 0.00 C ATOM 1276 C ALA A 87 8.557 -10.782 -6.054 1.00 0.00 C ATOM 1277 O ALA A 87 8.586 -9.570 -6.091 1.00 0.00 O ATOM 1278 CB ALA A 87 6.490 -12.120 -6.429 1.00 0.00 C ATOM 0 H ALA A 87 8.233 -13.651 -7.353 1.00 0.00 H new ATOM 0 HA ALA A 87 7.502 -10.935 -7.920 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.896 -11.287 -6.053 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.909 -12.677 -7.164 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.756 -12.778 -5.602 1.00 0.00 H new ATOM 1284 N GLN A 88 9.195 -11.438 -5.121 1.00 0.00 N ATOM 1285 CA GLN A 88 9.966 -10.681 -4.097 1.00 0.00 C ATOM 1286 C GLN A 88 11.031 -9.843 -4.814 1.00 0.00 C ATOM 1287 O GLN A 88 11.379 -8.763 -4.382 1.00 0.00 O ATOM 1288 CB GLN A 88 10.580 -11.665 -3.070 1.00 0.00 C ATOM 1289 CG GLN A 88 12.040 -12.006 -3.402 1.00 0.00 C ATOM 1290 CD GLN A 88 12.962 -10.865 -2.955 1.00 0.00 C ATOM 1291 OE1 GLN A 88 12.446 -9.788 -2.430 1.00 0.00 O flip ATOM 1292 NE2 GLN A 88 14.166 -10.957 -3.089 1.00 0.00 N flip ATOM 0 H GLN A 88 9.215 -12.453 -5.025 1.00 0.00 H new ATOM 0 HA GLN A 88 9.317 -10.005 -3.539 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.528 -11.228 -2.073 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.990 -12.581 -3.048 1.00 0.00 H new ATOM 0 HG2 GLN A 88 12.327 -12.932 -2.905 1.00 0.00 H new ATOM 0 HG3 GLN A 88 12.148 -12.173 -4.474 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.571 -11.799 -3.499 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.772 -10.193 -2.791 1.00 0.00 H new ATOM 1301 N ALA A 89 11.530 -10.327 -5.921 1.00 0.00 N ATOM 1302 CA ALA A 89 12.550 -9.555 -6.682 1.00 0.00 C ATOM 1303 C ALA A 89 11.949 -8.206 -7.090 1.00 0.00 C ATOM 1304 O ALA A 89 12.588 -7.176 -7.006 1.00 0.00 O ATOM 1305 CB ALA A 89 12.958 -10.342 -7.932 1.00 0.00 C ATOM 0 H ALA A 89 11.273 -11.226 -6.330 1.00 0.00 H new ATOM 0 HA ALA A 89 13.431 -9.390 -6.062 1.00 0.00 H new ATOM 0 HB1 ALA A 89 13.705 -9.777 -8.490 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.377 -11.304 -7.636 1.00 0.00 H new ATOM 0 HB3 ALA A 89 12.083 -10.506 -8.561 1.00 0.00 H new ATOM 1311 N ALA A 90 10.718 -8.211 -7.530 1.00 0.00 N ATOM 1312 CA ALA A 90 10.058 -6.941 -7.942 1.00 0.00 C ATOM 1313 C ALA A 90 10.041 -5.978 -6.756 1.00 0.00 C ATOM 1314 O ALA A 90 10.231 -4.789 -6.903 1.00 0.00 O ATOM 1315 CB ALA A 90 8.622 -7.233 -8.384 1.00 0.00 C ATOM 0 H ALA A 90 10.140 -9.046 -7.621 1.00 0.00 H new ATOM 0 HA ALA A 90 10.607 -6.493 -8.770 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.138 -6.304 -8.686 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.634 -7.926 -9.225 1.00 0.00 H new ATOM 0 HB3 ALA A 90 8.070 -7.677 -7.556 1.00 0.00 H new ATOM 1321 N ALA A 91 9.816 -6.485 -5.574 1.00 0.00 N ATOM 1322 CA ALA A 91 9.792 -5.598 -4.379 1.00 0.00 C ATOM 1323 C ALA A 91 11.166 -4.949 -4.205 1.00 0.00 C ATOM 1324 O ALA A 91 11.278 -3.799 -3.824 1.00 0.00 O ATOM 1325 CB ALA A 91 9.458 -6.427 -3.137 1.00 0.00 C ATOM 0 H ALA A 91 9.648 -7.473 -5.386 1.00 0.00 H new ATOM 0 HA ALA A 91 9.036 -4.824 -4.512 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.440 -5.779 -2.261 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.481 -6.894 -3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.215 -7.200 -3.001 1.00 0.00 H new ATOM 1331 N GLU A 92 12.216 -5.675 -4.479 1.00 0.00 N ATOM 1332 CA GLU A 92 13.583 -5.104 -4.328 1.00 0.00 C ATOM 1333 C GLU A 92 13.738 -3.878 -5.229 1.00 0.00 C ATOM 1334 O GLU A 92 14.067 -2.804 -4.772 1.00 0.00 O ATOM 1335 CB GLU A 92 14.623 -6.155 -4.716 1.00 0.00 C ATOM 1336 CG GLU A 92 14.417 -7.405 -3.860 1.00 0.00 C ATOM 1337 CD GLU A 92 15.660 -8.295 -3.935 1.00 0.00 C ATOM 1338 OE1 GLU A 92 16.552 -8.103 -3.126 1.00 0.00 O ATOM 1339 OE2 GLU A 92 15.696 -9.155 -4.800 1.00 0.00 O ATOM 0 H GLU A 92 12.185 -6.642 -4.802 1.00 0.00 H new ATOM 0 HA GLU A 92 13.733 -4.808 -3.290 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.529 -6.404 -5.773 1.00 0.00 H new ATOM 0 HB3 GLU A 92 15.629 -5.761 -4.569 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.224 -7.121 -2.826 1.00 0.00 H new ATOM 0 HG3 GLU A 92 13.543 -7.955 -4.208 1.00 0.00 H new ATOM 1346 N GLN A 93 13.508 -4.021 -6.504 1.00 0.00 N ATOM 1347 CA GLN A 93 13.655 -2.836 -7.399 1.00 0.00 C ATOM 1348 C GLN A 93 12.641 -1.771 -6.977 1.00 0.00 C ATOM 1349 O GLN A 93 12.920 -0.587 -7.006 1.00 0.00 O ATOM 1350 CB GLN A 93 13.429 -3.236 -8.862 1.00 0.00 C ATOM 1351 CG GLN A 93 12.206 -4.143 -8.977 1.00 0.00 C ATOM 1352 CD GLN A 93 11.990 -4.527 -10.443 1.00 0.00 C ATOM 1353 OE1 GLN A 93 11.531 -3.725 -11.232 1.00 0.00 O ATOM 1354 NE2 GLN A 93 12.301 -5.730 -10.842 1.00 0.00 N ATOM 0 H GLN A 93 13.230 -4.890 -6.961 1.00 0.00 H new ATOM 0 HA GLN A 93 14.666 -2.437 -7.312 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.288 -2.344 -9.473 1.00 0.00 H new ATOM 0 HB3 GLN A 93 14.310 -3.750 -9.246 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.347 -5.039 -8.372 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.324 -3.633 -8.590 1.00 0.00 H new ATOM 0 HE21 GLN A 93 12.686 -6.403 -10.180 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.159 -5.997 -11.816 1.00 0.00 H new ATOM 1363 N LEU A 94 11.469 -2.177 -6.565 1.00 0.00 N ATOM 1364 CA LEU A 94 10.454 -1.180 -6.127 1.00 0.00 C ATOM 1365 C LEU A 94 10.807 -0.684 -4.722 1.00 0.00 C ATOM 1366 O LEU A 94 10.295 0.321 -4.267 1.00 0.00 O ATOM 1367 CB LEU A 94 9.060 -1.817 -6.098 1.00 0.00 C ATOM 1368 CG LEU A 94 8.557 -2.090 -7.524 1.00 0.00 C ATOM 1369 CD1 LEU A 94 7.230 -2.851 -7.443 1.00 0.00 C ATOM 1370 CD2 LEU A 94 8.348 -0.764 -8.289 1.00 0.00 C ATOM 0 H LEU A 94 11.173 -3.152 -6.514 1.00 0.00 H new ATOM 0 HA LEU A 94 10.451 -0.347 -6.830 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.093 -2.749 -5.534 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.364 -1.156 -5.582 1.00 0.00 H new ATOM 0 HG LEU A 94 9.299 -2.683 -8.059 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.863 -3.051 -8.450 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.383 -3.794 -6.919 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.498 -2.250 -6.903 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.992 -0.978 -9.297 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.612 -0.154 -7.765 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.293 -0.224 -8.345 1.00 0.00 H new ATOM 1382 N LYS A 95 11.677 -1.372 -4.026 1.00 0.00 N ATOM 1383 CA LYS A 95 12.042 -0.917 -2.654 1.00 0.00 C ATOM 1384 C LYS A 95 12.868 0.363 -2.758 1.00 0.00 C ATOM 1385 O LYS A 95 12.655 1.311 -2.027 1.00 0.00 O ATOM 1386 CB LYS A 95 12.862 -2.004 -1.938 1.00 0.00 C ATOM 1387 CG LYS A 95 13.320 -1.513 -0.539 1.00 0.00 C ATOM 1388 CD LYS A 95 14.786 -1.048 -0.581 1.00 0.00 C ATOM 1389 CE LYS A 95 15.241 -0.661 0.829 1.00 0.00 C ATOM 1390 NZ LYS A 95 14.502 0.557 1.272 1.00 0.00 N ATOM 0 H LYS A 95 12.145 -2.220 -4.346 1.00 0.00 H new ATOM 0 HA LYS A 95 11.134 -0.727 -2.081 1.00 0.00 H new ATOM 0 HB2 LYS A 95 12.263 -2.909 -1.833 1.00 0.00 H new ATOM 0 HB3 LYS A 95 13.732 -2.266 -2.540 1.00 0.00 H new ATOM 0 HG2 LYS A 95 12.682 -0.693 -0.209 1.00 0.00 H new ATOM 0 HG3 LYS A 95 13.209 -2.317 0.189 1.00 0.00 H new ATOM 0 HD2 LYS A 95 15.420 -1.843 -0.973 1.00 0.00 H new ATOM 0 HD3 LYS A 95 14.889 -0.197 -1.254 1.00 0.00 H new ATOM 0 HE2 LYS A 95 15.057 -1.483 1.521 1.00 0.00 H new ATOM 0 HE3 LYS A 95 16.314 -0.472 0.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 14.976 0.968 2.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 14.488 1.254 0.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 13.526 0.299 1.523 1.00 0.00 H new ATOM 1404 N THR A 96 13.803 0.408 -3.666 1.00 0.00 N ATOM 1405 CA THR A 96 14.628 1.638 -3.813 1.00 0.00 C ATOM 1406 C THR A 96 13.759 2.749 -4.406 1.00 0.00 C ATOM 1407 O THR A 96 13.927 3.912 -4.096 1.00 0.00 O ATOM 1408 CB THR A 96 15.815 1.361 -4.740 1.00 0.00 C ATOM 1409 OG1 THR A 96 16.384 2.594 -5.154 1.00 0.00 O ATOM 1410 CG2 THR A 96 15.344 0.579 -5.965 1.00 0.00 C ATOM 0 H THR A 96 14.030 -0.350 -4.309 1.00 0.00 H new ATOM 0 HA THR A 96 15.007 1.945 -2.838 1.00 0.00 H new ATOM 0 HB THR A 96 16.562 0.773 -4.206 1.00 0.00 H new ATOM 0 HG1 THR A 96 17.145 2.420 -5.746 1.00 0.00 H new ATOM 0 HG21 THR A 96 16.193 0.385 -6.621 1.00 0.00 H new ATOM 0 HG22 THR A 96 14.907 -0.368 -5.647 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.596 1.161 -6.503 1.00 0.00 H new ATOM 1418 N THR A 97 12.819 2.399 -5.246 1.00 0.00 N ATOM 1419 CA THR A 97 11.931 3.424 -5.846 1.00 0.00 C ATOM 1420 C THR A 97 10.745 3.656 -4.905 1.00 0.00 C ATOM 1421 O THR A 97 10.708 4.615 -4.159 1.00 0.00 O ATOM 1422 CB THR A 97 11.437 2.909 -7.202 1.00 0.00 C ATOM 1423 OG1 THR A 97 12.515 2.923 -8.129 1.00 0.00 O ATOM 1424 CG2 THR A 97 10.313 3.800 -7.719 1.00 0.00 C ATOM 0 H THR A 97 12.632 1.440 -5.540 1.00 0.00 H new ATOM 0 HA THR A 97 12.465 4.363 -5.990 1.00 0.00 H new ATOM 0 HB THR A 97 11.062 1.892 -7.086 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.204 2.593 -8.998 1.00 0.00 H new ATOM 0 HG21 THR A 97 9.967 3.427 -8.683 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.486 3.791 -7.009 1.00 0.00 H new ATOM 0 HG23 THR A 97 10.681 4.819 -7.835 1.00 0.00 H new ATOM 1432 N GLY A 98 9.781 2.778 -4.931 1.00 0.00 N ATOM 1433 CA GLY A 98 8.599 2.928 -4.039 1.00 0.00 C ATOM 1434 C GLY A 98 8.070 4.358 -4.121 1.00 0.00 C ATOM 1435 O GLY A 98 7.317 4.705 -5.010 1.00 0.00 O ATOM 0 H GLY A 98 9.762 1.957 -5.537 1.00 0.00 H new ATOM 0 HA2 GLY A 98 7.819 2.224 -4.331 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.874 2.690 -3.011 1.00 0.00 H new ATOM 1439 N ARG A 99 8.465 5.192 -3.201 1.00 0.00 N ATOM 1440 CA ARG A 99 7.997 6.603 -3.217 1.00 0.00 C ATOM 1441 C ARG A 99 8.831 7.393 -4.229 1.00 0.00 C ATOM 1442 O ARG A 99 9.628 6.841 -4.961 1.00 0.00 O ATOM 1443 CB ARG A 99 8.159 7.221 -1.814 1.00 0.00 C ATOM 1444 CG ARG A 99 9.452 6.697 -1.134 1.00 0.00 C ATOM 1445 CD ARG A 99 9.129 5.570 -0.133 1.00 0.00 C ATOM 1446 NE ARG A 99 7.997 4.731 -0.650 1.00 0.00 N ATOM 1447 CZ ARG A 99 6.820 4.699 -0.052 1.00 0.00 C ATOM 1448 NH1 ARG A 99 6.563 5.443 0.994 1.00 0.00 N ATOM 1449 NH2 ARG A 99 5.886 3.920 -0.525 1.00 0.00 N ATOM 0 H ARG A 99 9.095 4.955 -2.435 1.00 0.00 H new ATOM 0 HA ARG A 99 6.945 6.638 -3.500 1.00 0.00 H new ATOM 0 HB2 ARG A 99 8.197 8.308 -1.891 1.00 0.00 H new ATOM 0 HB3 ARG A 99 7.293 6.975 -1.200 1.00 0.00 H new ATOM 0 HG2 ARG A 99 10.143 6.328 -1.892 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.953 7.515 -0.617 1.00 0.00 H new ATOM 0 HD2 ARG A 99 10.011 4.949 0.024 1.00 0.00 H new ATOM 0 HD3 ARG A 99 8.864 5.997 0.834 1.00 0.00 H new ATOM 0 HE ARG A 99 8.141 4.169 -1.489 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.280 6.066 1.365 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.646 5.400 1.438 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.069 3.345 -1.347 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.973 3.886 -0.072 1.00 0.00 H new ATOM 1463 N ALA A 100 8.652 8.681 -4.270 1.00 0.00 N ATOM 1464 CA ALA A 100 9.431 9.514 -5.226 1.00 0.00 C ATOM 1465 C ALA A 100 9.361 10.979 -4.796 1.00 0.00 C ATOM 1466 O ALA A 100 10.362 11.595 -4.484 1.00 0.00 O ATOM 1467 CB ALA A 100 8.843 9.363 -6.630 1.00 0.00 C ATOM 0 H ALA A 100 7.997 9.196 -3.681 1.00 0.00 H new ATOM 0 HA ALA A 100 10.471 9.187 -5.232 1.00 0.00 H new ATOM 0 HB1 ALA A 100 9.413 9.973 -7.331 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.893 8.318 -6.935 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.803 9.691 -6.626 1.00 0.00 H new ATOM 1473 N GLY A 101 8.185 11.542 -4.775 1.00 0.00 N ATOM 1474 CA GLY A 101 8.045 12.969 -4.365 1.00 0.00 C ATOM 1475 C GLY A 101 8.074 13.075 -2.840 1.00 0.00 C ATOM 1476 O GLY A 101 8.971 13.663 -2.269 1.00 0.00 O ATOM 0 H GLY A 101 7.313 11.075 -5.024 1.00 0.00 H new ATOM 0 HA2 GLY A 101 8.852 13.561 -4.795 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.110 13.377 -4.749 1.00 0.00 H new ATOM 1480 N ASN A 102 7.098 12.511 -2.179 1.00 0.00 N ATOM 1481 CA ASN A 102 7.053 12.573 -0.691 1.00 0.00 C ATOM 1482 C ASN A 102 6.847 14.024 -0.235 1.00 0.00 C ATOM 1483 O ASN A 102 6.102 14.294 0.683 1.00 0.00 O ATOM 1484 CB ASN A 102 8.365 12.019 -0.125 1.00 0.00 C ATOM 1485 CG ASN A 102 8.146 11.502 1.302 1.00 0.00 C ATOM 1486 OD1 ASN A 102 8.113 10.308 1.531 1.00 0.00 O ATOM 1487 ND2 ASN A 102 7.994 12.356 2.277 1.00 0.00 N ATOM 0 H ASN A 102 6.324 12.006 -2.611 1.00 0.00 H new ATOM 0 HA ASN A 102 6.221 11.973 -0.323 1.00 0.00 H new ATOM 0 HB2 ASN A 102 8.732 11.213 -0.760 1.00 0.00 H new ATOM 0 HB3 ASN A 102 9.128 12.798 -0.125 1.00 0.00 H new ATOM 0 HD21 ASN A 102 7.848 12.022 3.230 1.00 0.00 H new ATOM 0 HD22 ASN A 102 8.021 13.358 2.087 1.00 0.00 H new ATOM 1494 N GLN A 103 7.501 14.961 -0.876 1.00 0.00 N ATOM 1495 CA GLN A 103 7.348 16.391 -0.494 1.00 0.00 C ATOM 1496 C GLN A 103 6.328 17.044 -1.433 1.00 0.00 C ATOM 1497 O GLN A 103 5.458 16.385 -1.962 1.00 0.00 O ATOM 1498 CB GLN A 103 8.716 17.090 -0.632 1.00 0.00 C ATOM 1499 CG GLN A 103 8.850 18.198 0.414 1.00 0.00 C ATOM 1500 CD GLN A 103 10.094 19.037 0.118 1.00 0.00 C ATOM 1501 OE1 GLN A 103 11.030 19.053 0.893 1.00 0.00 O ATOM 1502 NE2 GLN A 103 10.146 19.740 -0.981 1.00 0.00 N ATOM 0 H GLN A 103 8.139 14.791 -1.654 1.00 0.00 H new ATOM 0 HA GLN A 103 7.000 16.479 0.535 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.518 16.363 -0.507 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.819 17.510 -1.633 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.962 18.830 0.404 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.921 17.764 1.411 1.00 0.00 H new ATOM 0 HE21 GLN A 103 9.361 19.727 -1.632 1.00 0.00 H new ATOM 0 HE22 GLN A 103 10.972 20.302 -1.188 1.00 0.00 H new ATOM 1511 N LYS A 104 6.454 18.327 -1.649 1.00 0.00 N ATOM 1512 CA LYS A 104 5.529 19.059 -2.558 1.00 0.00 C ATOM 1513 C LYS A 104 4.062 18.799 -2.157 1.00 0.00 C ATOM 1514 O LYS A 104 3.598 17.679 -2.200 1.00 0.00 O ATOM 1515 CB LYS A 104 5.769 18.565 -3.990 1.00 0.00 C ATOM 1516 CG LYS A 104 4.605 18.965 -4.923 1.00 0.00 C ATOM 1517 CD LYS A 104 4.929 18.517 -6.353 1.00 0.00 C ATOM 1518 CE LYS A 104 3.696 18.679 -7.247 1.00 0.00 C ATOM 1519 NZ LYS A 104 4.050 18.310 -8.646 1.00 0.00 N ATOM 0 H LYS A 104 7.176 18.909 -1.223 1.00 0.00 H new ATOM 0 HA LYS A 104 5.718 20.130 -2.489 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.702 18.982 -4.369 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.881 17.481 -3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.677 18.503 -4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 104 4.453 20.044 -4.893 1.00 0.00 H new ATOM 0 HD2 LYS A 104 5.755 19.107 -6.749 1.00 0.00 H new ATOM 0 HD3 LYS A 104 5.253 17.476 -6.352 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.885 18.046 -6.886 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.338 19.708 -7.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.215 18.419 -9.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.811 18.931 -8.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.372 17.321 -8.673 1.00 0.00 H new ATOM 1533 N GLY A 105 3.297 19.804 -1.813 1.00 0.00 N ATOM 1534 CA GLY A 105 1.877 19.532 -1.479 1.00 0.00 C ATOM 1535 C GLY A 105 1.793 18.480 -0.371 1.00 0.00 C ATOM 1536 O GLY A 105 0.721 18.038 -0.004 1.00 0.00 O ATOM 0 H GLY A 105 3.590 20.779 -1.751 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.388 20.451 -1.157 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.347 19.182 -2.365 1.00 0.00 H new ATOM 1540 N GLY A 106 2.912 18.070 0.165 1.00 0.00 N ATOM 1541 CA GLY A 106 2.900 17.043 1.252 1.00 0.00 C ATOM 1542 C GLY A 106 4.005 17.356 2.261 1.00 0.00 C ATOM 1543 O GLY A 106 3.676 17.718 3.377 1.00 0.00 O ATOM 1544 OXT GLY A 106 5.164 17.227 1.900 1.00 0.00 O ATOM 0 H GLY A 106 3.838 18.403 -0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 106 1.930 17.036 1.749 1.00 0.00 H new ATOM 0 HA3 GLY A 106 3.049 16.049 0.830 1.00 0.00 H new TER 1548 GLY A 106