USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 809 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 25 THR OG1 : rot 180:sc= 0.233 USER MOD Set 1.2: A 68 THR OG1 : rot -102:sc= 0.254 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc=0.000895 USER MOD Set 2.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 SER OG : rot -166:sc= 0.521 USER MOD Set 3.2: A 91 SER OG : rot 180:sc= 0.45 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 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 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 143:sc= -1.34 (180deg=-4.3!) USER MOD Single : A 33 HIS : no HD1:sc= -1.9 K(o=-1.9,f=-0.47) USER MOD Single : A 42 TYR OH : rot -60:sc= -0.496 USER MOD Single : A 46 TYR OH : rot 180:sc= -0.357 USER MOD Single : A 47 CYS SG : rot -40:sc= 0.156 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.6 K(o=-1.6,f=-10!) USER MOD Single : A 59 LYS NZ :NH3+ -156:sc= -0.0745 (180deg=-0.403) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot -140:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -24:sc= 0.89 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -2.97! C(o=-3!,f=-4.5!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot -95:sc= 0.488 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 11:sc= 1.3 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.164 -3.523 -8.388 1.00 0.00 N ATOM 2 CA GLY A 1 -28.000 -3.843 -7.581 1.00 0.00 C ATOM 3 C GLY A 1 -28.020 -5.273 -7.078 1.00 0.00 C ATOM 4 O GLY A 1 -29.049 -5.758 -6.606 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.104 -2.535 -8.708 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.197 -4.153 -9.215 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.026 -3.651 -7.820 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.097 -3.681 -8.170 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.953 -3.162 -6.731 1.00 0.00 H new ATOM 8 N SER A 2 -26.881 -5.950 -7.180 1.00 0.00 N ATOM 9 CA SER A 2 -26.773 -7.335 -6.736 1.00 0.00 C ATOM 10 C SER A 2 -25.328 -7.686 -6.395 1.00 0.00 C ATOM 11 O SER A 2 -24.417 -6.886 -6.610 1.00 0.00 O ATOM 12 CB SER A 2 -27.298 -8.282 -7.818 1.00 0.00 C ATOM 13 OG SER A 2 -27.815 -9.471 -7.247 1.00 0.00 O ATOM 0 H SER A 2 -26.020 -5.562 -7.566 1.00 0.00 H new ATOM 0 HA SER A 2 -27.378 -7.450 -5.837 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.077 -7.784 -8.395 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.494 -8.528 -8.512 1.00 0.00 H new ATOM 0 HG SER A 2 -28.146 -10.059 -7.958 1.00 0.00 H new ATOM 19 N SER A 3 -25.126 -8.886 -5.862 1.00 0.00 N ATOM 20 CA SER A 3 -23.793 -9.342 -5.487 1.00 0.00 C ATOM 21 C SER A 3 -22.746 -8.823 -6.467 1.00 0.00 C ATOM 22 O SER A 3 -23.043 -8.570 -7.634 1.00 0.00 O ATOM 23 CB SER A 3 -23.749 -10.871 -5.437 1.00 0.00 C ATOM 24 OG SER A 3 -24.486 -11.367 -4.333 1.00 0.00 O ATOM 0 H SER A 3 -25.869 -9.561 -5.680 1.00 0.00 H new ATOM 0 HA SER A 3 -23.566 -8.947 -4.497 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.155 -11.280 -6.362 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.714 -11.206 -5.367 1.00 0.00 H new ATOM 0 HG SER A 3 -24.444 -12.346 -4.325 1.00 0.00 H new ATOM 30 N GLY A 4 -21.517 -8.668 -5.984 1.00 0.00 N ATOM 31 CA GLY A 4 -20.443 -8.180 -6.829 1.00 0.00 C ATOM 32 C GLY A 4 -19.622 -7.098 -6.157 1.00 0.00 C ATOM 33 O GLY A 4 -18.624 -7.386 -5.496 1.00 0.00 O ATOM 0 H GLY A 4 -21.246 -8.872 -5.022 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.791 -9.011 -7.099 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.863 -7.790 -7.756 1.00 0.00 H new ATOM 37 N SER A 5 -20.041 -5.848 -6.327 1.00 0.00 N ATOM 38 CA SER A 5 -19.333 -4.718 -5.736 1.00 0.00 C ATOM 39 C SER A 5 -19.236 -4.870 -4.221 1.00 0.00 C ATOM 40 O SER A 5 -19.848 -5.763 -3.635 1.00 0.00 O ATOM 41 CB SER A 5 -20.042 -3.407 -6.083 1.00 0.00 C ATOM 42 OG SER A 5 -21.282 -3.303 -5.405 1.00 0.00 O ATOM 0 H SER A 5 -20.867 -5.592 -6.869 1.00 0.00 H new ATOM 0 HA SER A 5 -18.324 -4.698 -6.148 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.406 -2.564 -5.815 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.207 -3.353 -7.159 1.00 0.00 H new ATOM 0 HG SER A 5 -21.714 -2.456 -5.642 1.00 0.00 H new ATOM 48 N SER A 6 -18.461 -3.992 -3.593 1.00 0.00 N ATOM 49 CA SER A 6 -18.279 -4.030 -2.146 1.00 0.00 C ATOM 50 C SER A 6 -19.288 -3.124 -1.448 1.00 0.00 C ATOM 51 O SER A 6 -20.166 -2.546 -2.086 1.00 0.00 O ATOM 52 CB SER A 6 -16.855 -3.606 -1.779 1.00 0.00 C ATOM 53 OG SER A 6 -16.685 -2.207 -1.930 1.00 0.00 O ATOM 0 H SER A 6 -17.949 -3.246 -4.063 1.00 0.00 H new ATOM 0 HA SER A 6 -18.443 -5.054 -1.810 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.641 -3.893 -0.749 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.141 -4.133 -2.412 1.00 0.00 H new ATOM 0 HG SER A 6 -15.730 -1.989 -1.907 1.00 0.00 H new ATOM 59 N GLY A 7 -19.155 -3.006 -0.130 1.00 0.00 N ATOM 60 CA GLY A 7 -20.061 -2.170 0.635 1.00 0.00 C ATOM 61 C GLY A 7 -19.438 -0.843 1.022 1.00 0.00 C ATOM 62 O GLY A 7 -20.053 0.212 0.860 1.00 0.00 O ATOM 0 H GLY A 7 -18.436 -3.475 0.421 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.963 -1.988 0.051 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.367 -2.701 1.536 1.00 0.00 H new ATOM 66 N THR A 8 -18.214 -0.894 1.538 1.00 0.00 N ATOM 67 CA THR A 8 -17.509 0.313 1.952 1.00 0.00 C ATOM 68 C THR A 8 -16.649 0.863 0.820 1.00 0.00 C ATOM 69 O THR A 8 -16.307 0.143 -0.119 1.00 0.00 O ATOM 70 CB THR A 8 -16.615 0.048 3.178 1.00 0.00 C ATOM 71 OG1 THR A 8 -17.407 -0.447 4.264 1.00 0.00 O ATOM 72 CG2 THR A 8 -15.895 1.317 3.607 1.00 0.00 C ATOM 0 H THR A 8 -17.690 -1.758 1.679 1.00 0.00 H new ATOM 0 HA THR A 8 -18.269 1.048 2.217 1.00 0.00 H new ATOM 0 HB THR A 8 -15.870 -0.698 2.902 1.00 0.00 H new ATOM 0 HG1 THR A 8 -16.831 -0.615 5.039 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.270 1.105 4.474 1.00 0.00 H new ATOM 0 HG22 THR A 8 -15.271 1.675 2.789 1.00 0.00 H new ATOM 0 HG23 THR A 8 -16.628 2.081 3.866 1.00 0.00 H new ATOM 80 N SER A 9 -16.301 2.142 0.915 1.00 0.00 N ATOM 81 CA SER A 9 -15.483 2.790 -0.103 1.00 0.00 C ATOM 82 C SER A 9 -14.005 2.470 0.103 1.00 0.00 C ATOM 83 O SER A 9 -13.529 2.315 1.228 1.00 0.00 O ATOM 84 CB SER A 9 -15.698 4.304 -0.074 1.00 0.00 C ATOM 85 OG SER A 9 -16.756 4.686 -0.935 1.00 0.00 O ATOM 0 H SER A 9 -16.573 2.750 1.687 1.00 0.00 H new ATOM 0 HA SER A 9 -15.788 2.406 -1.077 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.920 4.623 0.944 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.780 4.810 -0.374 1.00 0.00 H new ATOM 0 HG SER A 9 -16.874 5.658 -0.897 1.00 0.00 H new ATOM 91 N PRO A 10 -13.261 2.370 -1.009 1.00 0.00 N ATOM 92 CA PRO A 10 -11.827 2.069 -0.977 1.00 0.00 C ATOM 93 C PRO A 10 -11.005 3.223 -0.413 1.00 0.00 C ATOM 94 O PRO A 10 -11.502 4.331 -0.211 1.00 0.00 O ATOM 95 CB PRO A 10 -11.481 1.836 -2.450 1.00 0.00 C ATOM 96 CG PRO A 10 -12.507 2.606 -3.207 1.00 0.00 C ATOM 97 CD PRO A 10 -13.763 2.544 -2.382 1.00 0.00 C ATOM 0 HA PRO A 10 -11.603 1.219 -0.332 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.474 2.185 -2.680 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.516 0.776 -2.702 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.189 3.638 -3.357 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.668 2.175 -4.195 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.354 3.454 -2.481 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.402 1.714 -2.684 1.00 0.00 H new ATOM 105 N PRO A 11 -9.715 2.960 -0.153 1.00 0.00 N ATOM 106 CA PRO A 11 -8.797 3.965 0.390 1.00 0.00 C ATOM 107 C PRO A 11 -8.472 5.060 -0.621 1.00 0.00 C ATOM 108 O PRO A 11 -8.016 4.780 -1.730 1.00 0.00 O ATOM 109 CB PRO A 11 -7.541 3.155 0.723 1.00 0.00 C ATOM 110 CG PRO A 11 -7.596 1.979 -0.190 1.00 0.00 C ATOM 111 CD PRO A 11 -9.055 1.662 -0.370 1.00 0.00 C ATOM 0 HA PRO A 11 -9.224 4.487 1.246 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.637 3.741 0.559 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.535 2.845 1.768 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.125 2.205 -1.147 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.062 1.129 0.235 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.261 1.268 -1.365 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.395 0.914 0.346 1.00 0.00 H new ATOM 119 N THR A 12 -8.708 6.308 -0.230 1.00 0.00 N ATOM 120 CA THR A 12 -8.441 7.445 -1.102 1.00 0.00 C ATOM 121 C THR A 12 -7.190 8.195 -0.660 1.00 0.00 C ATOM 122 O THR A 12 -6.678 7.977 0.439 1.00 0.00 O ATOM 123 CB THR A 12 -9.630 8.424 -1.129 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.875 8.933 0.187 1.00 0.00 O ATOM 125 CG2 THR A 12 -10.883 7.740 -1.656 1.00 0.00 C ATOM 0 H THR A 12 -9.084 6.557 0.685 1.00 0.00 H new ATOM 0 HA THR A 12 -8.287 7.045 -2.104 1.00 0.00 H new ATOM 0 HB THR A 12 -9.378 9.249 -1.796 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.631 9.556 0.161 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.709 8.451 -1.666 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.702 7.380 -2.669 1.00 0.00 H new ATOM 0 HG23 THR A 12 -11.136 6.898 -1.011 1.00 0.00 H new ATOM 133 N LEU A 13 -6.701 9.080 -1.522 1.00 0.00 N ATOM 134 CA LEU A 13 -5.508 9.864 -1.220 1.00 0.00 C ATOM 135 C LEU A 13 -4.319 8.955 -0.925 1.00 0.00 C ATOM 136 O LEU A 13 -3.624 9.129 0.077 1.00 0.00 O ATOM 137 CB LEU A 13 -5.768 10.785 -0.027 1.00 0.00 C ATOM 138 CG LEU A 13 -6.761 11.924 -0.263 1.00 0.00 C ATOM 139 CD1 LEU A 13 -7.292 12.451 1.061 1.00 0.00 C ATOM 140 CD2 LEU A 13 -6.109 13.043 -1.062 1.00 0.00 C ATOM 0 H LEU A 13 -7.112 9.273 -2.435 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.271 10.470 -2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.132 10.178 0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.818 11.217 0.287 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.601 11.535 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.997 13.261 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.797 11.647 1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.463 12.823 1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.830 13.845 -1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.251 13.430 -0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.778 12.657 -2.026 1.00 0.00 H new ATOM 152 N LEU A 14 -4.090 7.986 -1.805 1.00 0.00 N ATOM 153 CA LEU A 14 -2.983 7.050 -1.640 1.00 0.00 C ATOM 154 C LEU A 14 -1.673 7.665 -2.125 1.00 0.00 C ATOM 155 O LEU A 14 -1.466 7.846 -3.325 1.00 0.00 O ATOM 156 CB LEU A 14 -3.265 5.756 -2.406 1.00 0.00 C ATOM 157 CG LEU A 14 -2.190 4.672 -2.312 1.00 0.00 C ATOM 158 CD1 LEU A 14 -1.056 4.960 -3.283 1.00 0.00 C ATOM 159 CD2 LEU A 14 -1.663 4.566 -0.889 1.00 0.00 C ATOM 0 H LEU A 14 -4.655 7.828 -2.639 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.886 6.824 -0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.205 5.340 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.411 6.004 -3.457 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.639 3.717 -2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.300 4.178 -3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.446 4.984 -4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.608 5.924 -3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.899 3.790 -0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.230 5.520 -0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.482 4.312 -0.216 1.00 0.00 H new ATOM 171 N THR A 15 -0.791 7.982 -1.183 1.00 0.00 N ATOM 172 CA THR A 15 0.499 8.575 -1.513 1.00 0.00 C ATOM 173 C THR A 15 1.604 8.020 -0.621 1.00 0.00 C ATOM 174 O THR A 15 1.341 7.527 0.476 1.00 0.00 O ATOM 175 CB THR A 15 0.464 10.109 -1.373 1.00 0.00 C ATOM 176 OG1 THR A 15 -0.235 10.686 -2.482 1.00 0.00 O ATOM 177 CG2 THR A 15 1.873 10.678 -1.304 1.00 0.00 C ATOM 0 H THR A 15 -0.946 7.838 -0.185 1.00 0.00 H new ATOM 0 HA THR A 15 0.709 8.316 -2.551 1.00 0.00 H new ATOM 0 HB THR A 15 -0.056 10.356 -0.448 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.255 11.661 -2.385 1.00 0.00 H new ATOM 0 HG21 THR A 15 1.823 11.762 -1.205 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.393 10.259 -0.443 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.414 10.421 -2.215 1.00 0.00 H new ATOM 185 N VAL A 16 2.842 8.105 -1.098 1.00 0.00 N ATOM 186 CA VAL A 16 3.988 7.613 -0.342 1.00 0.00 C ATOM 187 C VAL A 16 4.336 8.555 0.805 1.00 0.00 C ATOM 188 O VAL A 16 4.401 9.771 0.624 1.00 0.00 O ATOM 189 CB VAL A 16 5.224 7.442 -1.245 1.00 0.00 C ATOM 190 CG1 VAL A 16 6.329 6.704 -0.504 1.00 0.00 C ATOM 191 CG2 VAL A 16 4.850 6.711 -2.526 1.00 0.00 C ATOM 0 H VAL A 16 3.077 8.510 -2.004 1.00 0.00 H new ATOM 0 HA VAL A 16 3.706 6.641 0.063 1.00 0.00 H new ATOM 0 HB VAL A 16 5.597 8.431 -1.513 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.194 6.593 -1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.615 7.271 0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.971 5.719 -0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.735 6.599 -3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.452 5.726 -2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.095 7.283 -3.064 1.00 0.00 H new ATOM 201 N ASP A 17 4.558 7.986 1.984 1.00 0.00 N ATOM 202 CA ASP A 17 4.902 8.775 3.161 1.00 0.00 C ATOM 203 C ASP A 17 6.411 8.975 3.260 1.00 0.00 C ATOM 204 O ASP A 17 6.891 10.101 3.390 1.00 0.00 O ATOM 205 CB ASP A 17 4.381 8.094 4.428 1.00 0.00 C ATOM 206 CG ASP A 17 4.318 9.040 5.610 1.00 0.00 C ATOM 207 OD1 ASP A 17 5.358 9.230 6.275 1.00 0.00 O ATOM 208 OD2 ASP A 17 3.229 9.593 5.870 1.00 0.00 O ATOM 0 H ASP A 17 4.506 6.981 2.150 1.00 0.00 H new ATOM 0 HA ASP A 17 4.430 9.753 3.063 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.387 7.689 4.237 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.026 7.251 4.675 1.00 0.00 H new ATOM 213 N SER A 18 7.154 7.874 3.199 1.00 0.00 N ATOM 214 CA SER A 18 8.608 7.928 3.287 1.00 0.00 C ATOM 215 C SER A 18 9.248 6.948 2.308 1.00 0.00 C ATOM 216 O SER A 18 8.562 6.137 1.686 1.00 0.00 O ATOM 217 CB SER A 18 9.067 7.614 4.712 1.00 0.00 C ATOM 218 OG SER A 18 10.285 8.272 5.012 1.00 0.00 O ATOM 0 H SER A 18 6.773 6.934 3.089 1.00 0.00 H new ATOM 0 HA SER A 18 8.925 8.937 3.025 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.299 7.923 5.421 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.193 6.538 4.828 1.00 0.00 H new ATOM 0 HG SER A 18 10.556 8.057 5.929 1.00 0.00 H new ATOM 224 N VAL A 19 10.568 7.030 2.176 1.00 0.00 N ATOM 225 CA VAL A 19 11.303 6.151 1.273 1.00 0.00 C ATOM 226 C VAL A 19 12.770 6.051 1.677 1.00 0.00 C ATOM 227 O VAL A 19 13.448 7.064 1.851 1.00 0.00 O ATOM 228 CB VAL A 19 11.215 6.642 -0.184 1.00 0.00 C ATOM 229 CG1 VAL A 19 12.171 5.859 -1.070 1.00 0.00 C ATOM 230 CG2 VAL A 19 9.787 6.531 -0.698 1.00 0.00 C ATOM 0 H VAL A 19 11.151 7.696 2.683 1.00 0.00 H new ATOM 0 HA VAL A 19 10.841 5.166 1.345 1.00 0.00 H new ATOM 0 HB VAL A 19 11.507 7.692 -0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.095 6.220 -2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.192 5.994 -0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 19 11.913 4.801 -1.038 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.743 6.882 -1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.465 5.491 -0.655 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.129 7.141 -0.079 1.00 0.00 H new ATOM 240 N THR A 20 13.255 4.823 1.824 1.00 0.00 N ATOM 241 CA THR A 20 14.642 4.589 2.207 1.00 0.00 C ATOM 242 C THR A 20 15.235 3.416 1.436 1.00 0.00 C ATOM 243 O THR A 20 14.524 2.485 1.058 1.00 0.00 O ATOM 244 CB THR A 20 14.768 4.313 3.718 1.00 0.00 C ATOM 245 OG1 THR A 20 13.906 5.191 4.450 1.00 0.00 O ATOM 246 CG2 THR A 20 16.204 4.498 4.183 1.00 0.00 C ATOM 0 H THR A 20 12.708 3.974 1.684 1.00 0.00 H new ATOM 0 HA THR A 20 15.195 5.496 1.963 1.00 0.00 H new ATOM 0 HB THR A 20 14.474 3.280 3.903 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.991 5.008 5.409 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.269 4.298 5.253 1.00 0.00 H new ATOM 0 HG22 THR A 20 16.853 3.807 3.645 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.521 5.522 3.986 1.00 0.00 H new ATOM 254 N ASP A 21 16.543 3.467 1.206 1.00 0.00 N ATOM 255 CA ASP A 21 17.233 2.406 0.481 1.00 0.00 C ATOM 256 C ASP A 21 17.056 1.064 1.183 1.00 0.00 C ATOM 257 O ASP A 21 17.381 0.013 0.629 1.00 0.00 O ATOM 258 CB ASP A 21 18.721 2.735 0.349 1.00 0.00 C ATOM 259 CG ASP A 21 19.490 2.462 1.627 1.00 0.00 C ATOM 260 OD1 ASP A 21 19.629 1.276 1.994 1.00 0.00 O ATOM 261 OD2 ASP A 21 19.953 3.434 2.259 1.00 0.00 O ATOM 0 H ASP A 21 17.146 4.231 1.511 1.00 0.00 H new ATOM 0 HA ASP A 21 16.795 2.335 -0.514 1.00 0.00 H new ATOM 0 HB2 ASP A 21 19.150 2.147 -0.462 1.00 0.00 H new ATOM 0 HB3 ASP A 21 18.835 3.784 0.077 1.00 0.00 H new ATOM 266 N THR A 22 16.540 1.105 2.407 1.00 0.00 N ATOM 267 CA THR A 22 16.322 -0.107 3.186 1.00 0.00 C ATOM 268 C THR A 22 14.859 -0.535 3.139 1.00 0.00 C ATOM 269 O THR A 22 14.548 -1.692 2.851 1.00 0.00 O ATOM 270 CB THR A 22 16.741 0.086 4.656 1.00 0.00 C ATOM 271 OG1 THR A 22 16.229 1.327 5.152 1.00 0.00 O ATOM 272 CG2 THR A 22 18.256 0.066 4.793 1.00 0.00 C ATOM 0 H THR A 22 16.265 1.966 2.881 1.00 0.00 H new ATOM 0 HA THR A 22 16.941 -0.885 2.739 1.00 0.00 H new ATOM 0 HB THR A 22 16.328 -0.736 5.240 1.00 0.00 H new ATOM 0 HG1 THR A 22 16.498 1.441 6.087 1.00 0.00 H new ATOM 0 HG21 THR A 22 18.529 0.204 5.839 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.641 -0.891 4.441 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.686 0.871 4.197 1.00 0.00 H new ATOM 280 N THR A 23 13.963 0.404 3.425 1.00 0.00 N ATOM 281 CA THR A 23 12.533 0.124 3.416 1.00 0.00 C ATOM 282 C THR A 23 11.742 1.319 2.897 1.00 0.00 C ATOM 283 O THR A 23 12.274 2.422 2.774 1.00 0.00 O ATOM 284 CB THR A 23 12.023 -0.243 4.822 1.00 0.00 C ATOM 285 OG1 THR A 23 12.510 0.702 5.782 1.00 0.00 O ATOM 286 CG2 THR A 23 12.471 -1.644 5.212 1.00 0.00 C ATOM 0 H THR A 23 14.203 1.366 3.666 1.00 0.00 H new ATOM 0 HA THR A 23 12.382 -0.725 2.750 1.00 0.00 H new ATOM 0 HB THR A 23 10.933 -0.217 4.807 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.180 0.463 6.673 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.099 -1.881 6.209 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.076 -2.365 4.496 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.560 -1.691 5.211 1.00 0.00 H new ATOM 294 N VAL A 24 10.467 1.093 2.594 1.00 0.00 N ATOM 295 CA VAL A 24 9.602 2.152 2.090 1.00 0.00 C ATOM 296 C VAL A 24 8.364 2.313 2.964 1.00 0.00 C ATOM 297 O VAL A 24 7.905 1.359 3.593 1.00 0.00 O ATOM 298 CB VAL A 24 9.160 1.874 0.640 1.00 0.00 C ATOM 299 CG1 VAL A 24 10.368 1.804 -0.282 1.00 0.00 C ATOM 300 CG2 VAL A 24 8.349 0.589 0.568 1.00 0.00 C ATOM 0 H VAL A 24 10.011 0.186 2.689 1.00 0.00 H new ATOM 0 HA VAL A 24 10.183 3.074 2.115 1.00 0.00 H new ATOM 0 HB VAL A 24 8.526 2.696 0.307 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.037 1.607 -1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.904 2.752 -0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.030 1.002 0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.045 0.408 -0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.957 -0.245 0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.463 0.682 1.196 1.00 0.00 H new ATOM 310 N THR A 25 7.825 3.528 3.001 1.00 0.00 N ATOM 311 CA THR A 25 6.640 3.816 3.799 1.00 0.00 C ATOM 312 C THR A 25 5.508 4.350 2.929 1.00 0.00 C ATOM 313 O THR A 25 5.739 5.115 1.994 1.00 0.00 O ATOM 314 CB THR A 25 6.945 4.838 4.909 1.00 0.00 C ATOM 315 OG1 THR A 25 7.982 4.340 5.762 1.00 0.00 O ATOM 316 CG2 THR A 25 5.700 5.130 5.733 1.00 0.00 C ATOM 0 H THR A 25 8.191 4.329 2.487 1.00 0.00 H new ATOM 0 HA THR A 25 6.331 2.876 4.256 1.00 0.00 H new ATOM 0 HB THR A 25 7.275 5.764 4.439 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.171 4.997 6.465 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.940 5.855 6.511 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.923 5.536 5.086 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.344 4.208 6.193 1.00 0.00 H new ATOM 324 N MET A 26 4.283 3.941 3.244 1.00 0.00 N ATOM 325 CA MET A 26 3.114 4.381 2.491 1.00 0.00 C ATOM 326 C MET A 26 2.009 4.854 3.430 1.00 0.00 C ATOM 327 O MET A 26 1.816 4.293 4.509 1.00 0.00 O ATOM 328 CB MET A 26 2.595 3.247 1.605 1.00 0.00 C ATOM 329 CG MET A 26 3.579 2.816 0.530 1.00 0.00 C ATOM 330 SD MET A 26 3.882 4.108 -0.691 1.00 0.00 S ATOM 331 CE MET A 26 2.457 3.907 -1.757 1.00 0.00 C ATOM 0 H MET A 26 4.074 3.306 4.015 1.00 0.00 H new ATOM 0 HA MET A 26 3.413 5.218 1.860 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.355 2.388 2.232 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.667 3.564 1.130 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.522 2.535 0.998 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.196 1.928 0.027 1.00 0.00 H new ATOM 0 HE1 MET A 26 2.117 4.885 -2.098 1.00 0.00 H new ATOM 0 HE2 MET A 26 2.730 3.297 -2.618 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.655 3.417 -1.204 1.00 0.00 H new ATOM 341 N ARG A 27 1.287 5.889 3.013 1.00 0.00 N ATOM 342 CA ARG A 27 0.203 6.439 3.819 1.00 0.00 C ATOM 343 C ARG A 27 -1.052 6.641 2.975 1.00 0.00 C ATOM 344 O ARG A 27 -0.975 6.790 1.755 1.00 0.00 O ATOM 345 CB ARG A 27 0.628 7.767 4.446 1.00 0.00 C ATOM 346 CG ARG A 27 0.918 8.857 3.427 1.00 0.00 C ATOM 347 CD ARG A 27 0.737 10.243 4.027 1.00 0.00 C ATOM 348 NE ARG A 27 -0.662 10.661 4.024 1.00 0.00 N ATOM 349 CZ ARG A 27 -1.359 10.888 2.916 1.00 0.00 C ATOM 350 NH1 ARG A 27 -0.790 10.737 1.728 1.00 0.00 N ATOM 351 NH2 ARG A 27 -2.629 11.266 2.995 1.00 0.00 N ATOM 0 H ARG A 27 1.433 6.364 2.122 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.024 5.727 4.613 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.159 8.110 5.118 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.518 7.604 5.054 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.938 8.749 3.058 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.255 8.741 2.570 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.115 10.248 5.049 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.332 10.962 3.464 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.130 10.786 4.922 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.185 10.446 1.663 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.328 10.912 0.879 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.071 11.382 3.907 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.163 11.440 2.144 1.00 0.00 H new ATOM 365 N TRP A 28 -2.206 6.644 3.632 1.00 0.00 N ATOM 366 CA TRP A 28 -3.478 6.827 2.942 1.00 0.00 C ATOM 367 C TRP A 28 -4.586 7.181 3.928 1.00 0.00 C ATOM 368 O TRP A 28 -4.467 6.928 5.127 1.00 0.00 O ATOM 369 CB TRP A 28 -3.851 5.559 2.171 1.00 0.00 C ATOM 370 CG TRP A 28 -4.013 4.356 3.050 1.00 0.00 C ATOM 371 CD1 TRP A 28 -5.138 3.983 3.729 1.00 0.00 C ATOM 372 CD2 TRP A 28 -3.018 3.370 3.345 1.00 0.00 C ATOM 373 NE1 TRP A 28 -4.902 2.824 4.428 1.00 0.00 N ATOM 374 CE2 TRP A 28 -3.609 2.427 4.209 1.00 0.00 C ATOM 375 CE3 TRP A 28 -1.686 3.190 2.962 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -2.913 1.324 4.695 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -0.996 2.095 3.445 1.00 0.00 C ATOM 378 CH2 TRP A 28 -1.610 1.173 4.304 1.00 0.00 C ATOM 0 H TRP A 28 -2.287 6.522 4.641 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.366 7.652 2.238 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.781 5.732 1.629 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.081 5.355 1.427 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.075 4.520 3.718 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.580 2.338 5.015 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.205 3.895 2.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.384 0.613 5.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.034 1.947 3.156 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.044 0.327 4.664 1.00 0.00 H new ATOM 389 N ARG A 29 -5.663 7.767 3.416 1.00 0.00 N ATOM 390 CA ARG A 29 -6.792 8.157 4.252 1.00 0.00 C ATOM 391 C ARG A 29 -7.930 7.148 4.133 1.00 0.00 C ATOM 392 O ARG A 29 -8.167 6.564 3.075 1.00 0.00 O ATOM 393 CB ARG A 29 -7.287 9.550 3.861 1.00 0.00 C ATOM 394 CG ARG A 29 -6.625 10.674 4.642 1.00 0.00 C ATOM 395 CD ARG A 29 -5.124 10.463 4.758 1.00 0.00 C ATOM 396 NE ARG A 29 -4.781 9.562 5.856 1.00 0.00 N ATOM 397 CZ ARG A 29 -4.845 9.908 7.137 1.00 0.00 C ATOM 398 NH1 ARG A 29 -5.237 11.127 7.479 1.00 0.00 N ATOM 399 NH2 ARG A 29 -4.516 9.033 8.078 1.00 0.00 N ATOM 0 H ARG A 29 -5.778 7.982 2.426 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.455 8.178 5.288 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.108 9.704 2.797 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.365 9.599 4.014 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.823 11.626 4.150 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.063 10.733 5.638 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.742 10.056 3.822 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.634 11.424 4.911 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.476 8.616 5.626 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.491 11.802 6.758 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.285 11.390 8.463 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.214 8.094 7.818 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.565 9.299 9.061 1.00 0.00 H new ATOM 413 N PRO A 30 -8.653 6.938 5.243 1.00 0.00 N ATOM 414 CA PRO A 30 -9.779 6.000 5.288 1.00 0.00 C ATOM 415 C PRO A 30 -10.977 6.493 4.484 1.00 0.00 C ATOM 416 O PRO A 30 -11.024 7.637 4.033 1.00 0.00 O ATOM 417 CB PRO A 30 -10.126 5.934 6.778 1.00 0.00 C ATOM 418 CG PRO A 30 -9.649 7.230 7.336 1.00 0.00 C ATOM 419 CD PRO A 30 -8.428 7.599 6.539 1.00 0.00 C ATOM 0 HA PRO A 30 -9.522 5.034 4.852 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.198 5.808 6.930 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.635 5.090 7.262 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.418 7.998 7.251 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.410 7.135 8.395 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.332 8.679 6.428 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.514 7.246 7.017 1.00 0.00 H new ATOM 427 N PRO A 31 -11.970 5.610 4.298 1.00 0.00 N ATOM 428 CA PRO A 31 -13.187 5.934 3.548 1.00 0.00 C ATOM 429 C PRO A 31 -14.076 6.928 4.287 1.00 0.00 C ATOM 430 O PRO A 31 -14.443 6.708 5.442 1.00 0.00 O ATOM 431 CB PRO A 31 -13.892 4.582 3.415 1.00 0.00 C ATOM 432 CG PRO A 31 -13.397 3.781 4.570 1.00 0.00 C ATOM 433 CD PRO A 31 -11.981 4.229 4.808 1.00 0.00 C ATOM 0 HA PRO A 31 -12.963 6.409 2.593 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -14.976 4.696 3.448 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.650 4.101 2.467 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -14.013 3.948 5.454 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.437 2.714 4.351 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -11.719 4.189 5.865 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.266 3.599 4.279 1.00 0.00 H new ATOM 441 N ASP A 32 -14.420 8.021 3.615 1.00 0.00 N ATOM 442 CA ASP A 32 -15.268 9.049 4.208 1.00 0.00 C ATOM 443 C ASP A 32 -16.325 8.425 5.114 1.00 0.00 C ATOM 444 O ASP A 32 -16.658 8.972 6.166 1.00 0.00 O ATOM 445 CB ASP A 32 -15.942 9.878 3.114 1.00 0.00 C ATOM 446 CG ASP A 32 -16.709 11.060 3.673 1.00 0.00 C ATOM 447 OD1 ASP A 32 -17.886 10.878 4.049 1.00 0.00 O ATOM 448 OD2 ASP A 32 -16.134 12.166 3.733 1.00 0.00 O ATOM 0 H ASP A 32 -14.125 8.218 2.659 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.637 9.702 4.811 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -15.186 10.237 2.416 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.622 9.242 2.548 1.00 0.00 H new ATOM 453 N HIS A 33 -16.849 7.276 4.699 1.00 0.00 N ATOM 454 CA HIS A 33 -17.869 6.577 5.473 1.00 0.00 C ATOM 455 C HIS A 33 -17.722 5.066 5.326 1.00 0.00 C ATOM 456 O HIS A 33 -17.169 4.579 4.340 1.00 0.00 O ATOM 457 CB HIS A 33 -19.265 7.012 5.026 1.00 0.00 C ATOM 458 CG HIS A 33 -20.345 6.653 6.001 1.00 0.00 C ATOM 459 ND1 HIS A 33 -20.988 7.585 6.787 1.00 0.00 N ATOM 460 CD2 HIS A 33 -20.894 5.456 6.313 1.00 0.00 C ATOM 461 CE1 HIS A 33 -21.886 6.977 7.542 1.00 0.00 C ATOM 462 NE2 HIS A 33 -21.849 5.684 7.273 1.00 0.00 N ATOM 0 H HIS A 33 -16.584 6.809 3.831 1.00 0.00 H new ATOM 0 HA HIS A 33 -17.735 6.836 6.523 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -19.269 8.091 4.873 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -19.489 6.553 4.063 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -20.630 4.500 5.886 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -22.539 7.455 8.257 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -22.435 4.971 7.708 1.00 0.00 H new ATOM 471 N ILE A 34 -18.220 4.329 6.314 1.00 0.00 N ATOM 472 CA ILE A 34 -18.145 2.874 6.294 1.00 0.00 C ATOM 473 C ILE A 34 -19.427 2.264 5.738 1.00 0.00 C ATOM 474 O ILE A 34 -20.448 2.209 6.421 1.00 0.00 O ATOM 475 CB ILE A 34 -17.887 2.304 7.701 1.00 0.00 C ATOM 476 CG1 ILE A 34 -16.666 2.977 8.332 1.00 0.00 C ATOM 477 CG2 ILE A 34 -17.691 0.796 7.634 1.00 0.00 C ATOM 478 CD1 ILE A 34 -15.386 2.756 7.557 1.00 0.00 C ATOM 0 H ILE A 34 -18.680 4.716 7.138 1.00 0.00 H new ATOM 0 HA ILE A 34 -17.310 2.611 5.645 1.00 0.00 H new ATOM 0 HB ILE A 34 -18.756 2.511 8.325 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -16.852 4.048 8.412 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -16.537 2.599 9.346 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -17.510 0.408 8.636 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -18.586 0.331 7.221 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -16.837 0.568 6.997 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -14.563 3.261 8.062 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -15.175 1.688 7.499 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.496 3.159 6.550 1.00 0.00 H new ATOM 490 N GLY A 35 -19.366 1.805 4.491 1.00 0.00 N ATOM 491 CA GLY A 35 -20.528 1.203 3.864 1.00 0.00 C ATOM 492 C GLY A 35 -21.385 0.433 4.850 1.00 0.00 C ATOM 493 O GLY A 35 -22.395 0.943 5.334 1.00 0.00 O ATOM 0 H GLY A 35 -18.532 1.840 3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -21.129 1.982 3.396 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -20.202 0.532 3.069 1.00 0.00 H new ATOM 497 N ALA A 36 -20.982 -0.798 5.146 1.00 0.00 N ATOM 498 CA ALA A 36 -21.720 -1.639 6.080 1.00 0.00 C ATOM 499 C ALA A 36 -20.845 -2.770 6.610 1.00 0.00 C ATOM 500 O ALA A 36 -19.735 -2.987 6.125 1.00 0.00 O ATOM 501 CB ALA A 36 -22.966 -2.202 5.413 1.00 0.00 C ATOM 0 H ALA A 36 -20.149 -1.235 4.753 1.00 0.00 H new ATOM 0 HA ALA A 36 -22.022 -1.021 6.926 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -23.507 -2.828 6.122 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -23.608 -1.382 5.090 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -22.677 -2.800 4.548 1.00 0.00 H new ATOM 507 N ALA A 37 -21.352 -3.487 7.608 1.00 0.00 N ATOM 508 CA ALA A 37 -20.617 -4.596 8.202 1.00 0.00 C ATOM 509 C ALA A 37 -19.279 -4.129 8.765 1.00 0.00 C ATOM 510 O ALA A 37 -18.337 -4.912 8.884 1.00 0.00 O ATOM 511 CB ALA A 37 -20.403 -5.698 7.175 1.00 0.00 C ATOM 0 H ALA A 37 -22.269 -3.319 8.022 1.00 0.00 H new ATOM 0 HA ALA A 37 -21.210 -4.992 9.026 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -19.853 -6.520 7.633 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -21.369 -6.060 6.823 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -19.834 -5.305 6.333 1.00 0.00 H new ATOM 517 N GLY A 38 -19.201 -2.847 9.109 1.00 0.00 N ATOM 518 CA GLY A 38 -17.974 -2.298 9.654 1.00 0.00 C ATOM 519 C GLY A 38 -16.799 -2.453 8.709 1.00 0.00 C ATOM 520 O GLY A 38 -16.917 -3.085 7.658 1.00 0.00 O ATOM 0 H GLY A 38 -19.967 -2.179 9.020 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.120 -1.241 9.877 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.745 -2.794 10.597 1.00 0.00 H new ATOM 524 N LEU A 39 -15.663 -1.874 9.080 1.00 0.00 N ATOM 525 CA LEU A 39 -14.461 -1.950 8.257 1.00 0.00 C ATOM 526 C LEU A 39 -13.416 -2.856 8.900 1.00 0.00 C ATOM 527 O LEU A 39 -13.007 -2.637 10.040 1.00 0.00 O ATOM 528 CB LEU A 39 -13.877 -0.552 8.043 1.00 0.00 C ATOM 529 CG LEU A 39 -12.415 -0.496 7.600 1.00 0.00 C ATOM 530 CD1 LEU A 39 -12.303 -0.715 6.099 1.00 0.00 C ATOM 531 CD2 LEU A 39 -11.788 0.833 7.994 1.00 0.00 C ATOM 0 H LEU A 39 -15.549 -1.347 9.946 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.738 -2.374 7.292 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.482 -0.038 7.296 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -13.976 0.007 8.973 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.872 -1.295 8.105 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.255 -0.672 5.802 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.713 -1.692 5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.861 0.061 5.575 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.747 0.854 7.670 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.333 1.648 7.518 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.834 0.950 9.077 1.00 0.00 H new ATOM 543 N ASP A 40 -12.988 -3.874 8.161 1.00 0.00 N ATOM 544 CA ASP A 40 -11.988 -4.812 8.658 1.00 0.00 C ATOM 545 C ASP A 40 -10.602 -4.460 8.128 1.00 0.00 C ATOM 546 O ASP A 40 -10.224 -4.866 7.030 1.00 0.00 O ATOM 547 CB ASP A 40 -12.354 -6.241 8.254 1.00 0.00 C ATOM 548 CG ASP A 40 -13.704 -6.668 8.795 1.00 0.00 C ATOM 549 OD1 ASP A 40 -14.731 -6.181 8.278 1.00 0.00 O ATOM 550 OD2 ASP A 40 -13.734 -7.488 9.737 1.00 0.00 O ATOM 0 H ASP A 40 -13.318 -4.071 7.216 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.970 -4.743 9.746 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.361 -6.318 7.167 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.587 -6.926 8.617 1.00 0.00 H new ATOM 555 N GLY A 41 -9.848 -3.700 8.917 1.00 0.00 N ATOM 556 CA GLY A 41 -8.512 -3.304 8.509 1.00 0.00 C ATOM 557 C GLY A 41 -8.404 -3.081 7.014 1.00 0.00 C ATOM 558 O GLY A 41 -9.363 -2.649 6.373 1.00 0.00 O ATOM 0 H GLY A 41 -10.138 -3.352 9.831 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.233 -2.389 9.031 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.801 -4.073 8.811 1.00 0.00 H new ATOM 562 N TYR A 42 -7.235 -3.373 6.456 1.00 0.00 N ATOM 563 CA TYR A 42 -7.004 -3.197 5.027 1.00 0.00 C ATOM 564 C TYR A 42 -5.970 -4.196 4.516 1.00 0.00 C ATOM 565 O TYR A 42 -5.411 -4.978 5.285 1.00 0.00 O ATOM 566 CB TYR A 42 -6.538 -1.770 4.737 1.00 0.00 C ATOM 567 CG TYR A 42 -7.183 -0.730 5.625 1.00 0.00 C ATOM 568 CD1 TYR A 42 -6.671 -0.453 6.887 1.00 0.00 C ATOM 569 CD2 TYR A 42 -8.303 -0.025 5.203 1.00 0.00 C ATOM 570 CE1 TYR A 42 -7.257 0.496 7.703 1.00 0.00 C ATOM 571 CE2 TYR A 42 -8.894 0.927 6.011 1.00 0.00 C ATOM 572 CZ TYR A 42 -8.368 1.184 7.260 1.00 0.00 C ATOM 573 OH TYR A 42 -8.955 2.130 8.069 1.00 0.00 O ATOM 0 H TYR A 42 -6.432 -3.733 6.972 1.00 0.00 H new ATOM 0 HA TYR A 42 -7.945 -3.377 4.507 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -5.456 -1.718 4.858 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.754 -1.531 3.696 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -5.800 -0.988 7.236 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -8.719 -0.225 4.226 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.848 0.698 8.682 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -9.763 1.467 5.667 1.00 0.00 H new ATOM 0 HH TYR A 42 -9.254 1.708 8.902 1.00 0.00 H new ATOM 583 N VAL A 43 -5.720 -4.162 3.211 1.00 0.00 N ATOM 584 CA VAL A 43 -4.753 -5.062 2.594 1.00 0.00 C ATOM 585 C VAL A 43 -3.786 -4.298 1.697 1.00 0.00 C ATOM 586 O VAL A 43 -4.201 -3.504 0.851 1.00 0.00 O ATOM 587 CB VAL A 43 -5.452 -6.155 1.764 1.00 0.00 C ATOM 588 CG1 VAL A 43 -4.428 -6.992 1.012 1.00 0.00 C ATOM 589 CG2 VAL A 43 -6.316 -7.031 2.658 1.00 0.00 C ATOM 0 H VAL A 43 -6.174 -3.521 2.561 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.197 -5.533 3.405 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.099 -5.673 1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.941 -7.759 0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.856 -6.351 0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.753 -7.467 1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.803 -7.798 2.055 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.692 -7.506 3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.074 -6.418 3.146 1.00 0.00 H new ATOM 599 N LEU A 44 -2.494 -4.542 1.885 1.00 0.00 N ATOM 600 CA LEU A 44 -1.465 -3.878 1.092 1.00 0.00 C ATOM 601 C LEU A 44 -0.498 -4.893 0.493 1.00 0.00 C ATOM 602 O LEU A 44 -0.008 -5.783 1.189 1.00 0.00 O ATOM 603 CB LEU A 44 -0.699 -2.872 1.954 1.00 0.00 C ATOM 604 CG LEU A 44 0.353 -2.032 1.229 1.00 0.00 C ATOM 605 CD1 LEU A 44 0.507 -0.675 1.899 1.00 0.00 C ATOM 606 CD2 LEU A 44 1.687 -2.764 1.191 1.00 0.00 C ATOM 0 H LEU A 44 -2.133 -5.195 2.580 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.956 -3.348 0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.419 -2.197 2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.208 -3.415 2.762 1.00 0.00 H new ATOM 0 HG LEU A 44 0.019 -1.873 0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.260 -0.091 1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.446 -0.147 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.818 -0.814 2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.424 -2.151 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.027 -2.954 2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.567 -3.711 0.665 1.00 0.00 H new ATOM 618 N GLU A 45 -0.225 -4.753 -0.800 1.00 0.00 N ATOM 619 CA GLU A 45 0.685 -5.658 -1.491 1.00 0.00 C ATOM 620 C GLU A 45 1.684 -4.880 -2.343 1.00 0.00 C ATOM 621 O GLU A 45 1.627 -3.652 -2.420 1.00 0.00 O ATOM 622 CB GLU A 45 -0.100 -6.634 -2.371 1.00 0.00 C ATOM 623 CG GLU A 45 -1.249 -7.315 -1.647 1.00 0.00 C ATOM 624 CD GLU A 45 -2.378 -7.704 -2.582 1.00 0.00 C ATOM 625 OE1 GLU A 45 -2.980 -6.797 -3.195 1.00 0.00 O ATOM 626 OE2 GLU A 45 -2.660 -8.915 -2.700 1.00 0.00 O ATOM 0 H GLU A 45 -0.621 -4.021 -1.390 1.00 0.00 H new ATOM 0 HA GLU A 45 1.236 -6.221 -0.738 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.493 -6.097 -3.234 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.581 -7.395 -2.752 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.878 -8.206 -1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.634 -6.648 -0.876 1.00 0.00 H new ATOM 633 N TYR A 46 2.599 -5.602 -2.980 1.00 0.00 N ATOM 634 CA TYR A 46 3.612 -4.980 -3.823 1.00 0.00 C ATOM 635 C TYR A 46 4.094 -5.948 -4.900 1.00 0.00 C ATOM 636 O TYR A 46 4.477 -7.081 -4.605 1.00 0.00 O ATOM 637 CB TYR A 46 4.796 -4.514 -2.975 1.00 0.00 C ATOM 638 CG TYR A 46 5.675 -5.644 -2.488 1.00 0.00 C ATOM 639 CD1 TYR A 46 5.294 -6.431 -1.407 1.00 0.00 C ATOM 640 CD2 TYR A 46 6.885 -5.926 -3.109 1.00 0.00 C ATOM 641 CE1 TYR A 46 6.095 -7.463 -0.959 1.00 0.00 C ATOM 642 CE2 TYR A 46 7.691 -6.958 -2.669 1.00 0.00 C ATOM 643 CZ TYR A 46 7.292 -7.723 -1.593 1.00 0.00 C ATOM 644 OH TYR A 46 8.091 -8.752 -1.150 1.00 0.00 O ATOM 0 H TYR A 46 2.660 -6.619 -2.928 1.00 0.00 H new ATOM 0 HA TYR A 46 3.161 -4.116 -4.311 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.401 -3.821 -3.560 1.00 0.00 H new ATOM 0 HB3 TYR A 46 4.420 -3.961 -2.114 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.356 -6.232 -0.909 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.201 -5.328 -3.951 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.786 -8.064 -0.116 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.628 -7.165 -3.165 1.00 0.00 H new ATOM 0 HH TYR A 46 8.897 -8.802 -1.705 1.00 0.00 H new ATOM 654 N CYS A 47 4.072 -5.493 -6.147 1.00 0.00 N ATOM 655 CA CYS A 47 4.507 -6.318 -7.270 1.00 0.00 C ATOM 656 C CYS A 47 5.882 -5.882 -7.765 1.00 0.00 C ATOM 657 O CYS A 47 6.019 -4.846 -8.416 1.00 0.00 O ATOM 658 CB CYS A 47 3.491 -6.239 -8.411 1.00 0.00 C ATOM 659 SG CYS A 47 3.989 -7.127 -9.905 1.00 0.00 S ATOM 0 H CYS A 47 3.758 -4.558 -6.407 1.00 0.00 H new ATOM 0 HA CYS A 47 4.576 -7.350 -6.926 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.539 -6.639 -8.064 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.324 -5.192 -8.662 1.00 0.00 H new ATOM 0 HG CYS A 47 5.260 -6.948 -10.113 1.00 0.00 H new ATOM 665 N PHE A 48 6.898 -6.678 -7.451 1.00 0.00 N ATOM 666 CA PHE A 48 8.264 -6.373 -7.861 1.00 0.00 C ATOM 667 C PHE A 48 8.342 -6.153 -9.369 1.00 0.00 C ATOM 668 O PHE A 48 7.357 -6.335 -10.085 1.00 0.00 O ATOM 669 CB PHE A 48 9.207 -7.505 -7.450 1.00 0.00 C ATOM 670 CG PHE A 48 10.605 -7.042 -7.153 1.00 0.00 C ATOM 671 CD1 PHE A 48 10.896 -6.393 -5.963 1.00 0.00 C ATOM 672 CD2 PHE A 48 11.628 -7.255 -8.063 1.00 0.00 C ATOM 673 CE1 PHE A 48 12.181 -5.966 -5.687 1.00 0.00 C ATOM 674 CE2 PHE A 48 12.915 -6.830 -7.792 1.00 0.00 C ATOM 675 CZ PHE A 48 13.192 -6.184 -6.603 1.00 0.00 C ATOM 0 H PHE A 48 6.802 -7.540 -6.914 1.00 0.00 H new ATOM 0 HA PHE A 48 8.571 -5.454 -7.361 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.802 -8.002 -6.568 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.240 -8.247 -8.248 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.110 -6.219 -5.244 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.417 -7.759 -8.995 1.00 0.00 H new ATOM 0 HE1 PHE A 48 12.395 -5.462 -4.756 1.00 0.00 H new ATOM 0 HE2 PHE A 48 13.704 -7.003 -8.509 1.00 0.00 H new ATOM 0 HZ PHE A 48 14.197 -5.850 -6.390 1.00 0.00 H new ATOM 685 N GLU A 49 9.520 -5.761 -9.844 1.00 0.00 N ATOM 686 CA GLU A 49 9.726 -5.516 -11.266 1.00 0.00 C ATOM 687 C GLU A 49 10.292 -6.754 -11.956 1.00 0.00 C ATOM 688 O GLU A 49 10.822 -6.673 -13.064 1.00 0.00 O ATOM 689 CB GLU A 49 10.670 -4.328 -11.470 1.00 0.00 C ATOM 690 CG GLU A 49 12.007 -4.486 -10.765 1.00 0.00 C ATOM 691 CD GLU A 49 13.121 -3.716 -11.448 1.00 0.00 C ATOM 692 OE1 GLU A 49 13.310 -3.902 -12.668 1.00 0.00 O ATOM 693 OE2 GLU A 49 13.803 -2.927 -10.761 1.00 0.00 O ATOM 0 H GLU A 49 10.345 -5.606 -9.265 1.00 0.00 H new ATOM 0 HA GLU A 49 8.759 -5.284 -11.712 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.845 -4.193 -12.537 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.183 -3.422 -11.110 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.913 -4.144 -9.734 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.271 -5.543 -10.727 1.00 0.00 H new ATOM 700 N GLY A 50 10.177 -7.899 -11.291 1.00 0.00 N ATOM 701 CA GLY A 50 10.682 -9.138 -11.854 1.00 0.00 C ATOM 702 C GLY A 50 9.761 -10.313 -11.590 1.00 0.00 C ATOM 703 O GLY A 50 10.213 -11.452 -11.470 1.00 0.00 O ATOM 0 H GLY A 50 9.743 -7.991 -10.372 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.813 -9.018 -12.929 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.665 -9.350 -11.434 1.00 0.00 H new ATOM 707 N THR A 51 8.464 -10.037 -11.497 1.00 0.00 N ATOM 708 CA THR A 51 7.477 -11.078 -11.242 1.00 0.00 C ATOM 709 C THR A 51 6.137 -10.734 -11.882 1.00 0.00 C ATOM 710 O THR A 51 5.896 -9.589 -12.261 1.00 0.00 O ATOM 711 CB THR A 51 7.271 -11.300 -9.732 1.00 0.00 C ATOM 712 OG1 THR A 51 7.183 -10.039 -9.060 1.00 0.00 O ATOM 713 CG2 THR A 51 8.412 -12.116 -9.144 1.00 0.00 C ATOM 0 H THR A 51 8.073 -9.100 -11.595 1.00 0.00 H new ATOM 0 HA THR A 51 7.864 -11.995 -11.686 1.00 0.00 H new ATOM 0 HB THR A 51 6.342 -11.852 -9.591 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.050 -10.188 -8.101 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.244 -12.260 -8.077 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.458 -13.087 -9.638 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.353 -11.587 -9.295 1.00 0.00 H new ATOM 721 N GLU A 52 5.267 -11.734 -11.997 1.00 0.00 N ATOM 722 CA GLU A 52 3.950 -11.535 -12.591 1.00 0.00 C ATOM 723 C GLU A 52 2.848 -11.772 -11.563 1.00 0.00 C ATOM 724 O GLU A 52 1.688 -11.981 -11.918 1.00 0.00 O ATOM 725 CB GLU A 52 3.759 -12.471 -13.786 1.00 0.00 C ATOM 726 CG GLU A 52 3.793 -13.945 -13.416 1.00 0.00 C ATOM 727 CD GLU A 52 3.060 -14.815 -14.418 1.00 0.00 C ATOM 728 OE1 GLU A 52 3.527 -14.914 -15.572 1.00 0.00 O ATOM 729 OE2 GLU A 52 2.020 -15.399 -14.047 1.00 0.00 O ATOM 0 H GLU A 52 5.451 -12.688 -11.687 1.00 0.00 H new ATOM 0 HA GLU A 52 3.886 -10.502 -12.934 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.805 -12.247 -14.264 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.538 -12.271 -14.521 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.830 -14.274 -13.345 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.348 -14.079 -12.430 1.00 0.00 H new ATOM 736 N ASP A 53 3.220 -11.738 -10.288 1.00 0.00 N ATOM 737 CA ASP A 53 2.263 -11.949 -9.207 1.00 0.00 C ATOM 738 C ASP A 53 2.471 -10.929 -8.092 1.00 0.00 C ATOM 739 O ASP A 53 3.564 -10.387 -7.928 1.00 0.00 O ATOM 740 CB ASP A 53 2.396 -13.367 -8.650 1.00 0.00 C ATOM 741 CG ASP A 53 3.735 -13.603 -7.979 1.00 0.00 C ATOM 742 OD1 ASP A 53 4.759 -13.630 -8.693 1.00 0.00 O ATOM 743 OD2 ASP A 53 3.758 -13.760 -6.741 1.00 0.00 O ATOM 0 H ASP A 53 4.176 -11.567 -9.978 1.00 0.00 H new ATOM 0 HA ASP A 53 1.259 -11.819 -9.611 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.596 -13.549 -7.932 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.267 -14.086 -9.459 1.00 0.00 H new ATOM 748 N TRP A 54 1.415 -10.672 -7.329 1.00 0.00 N ATOM 749 CA TRP A 54 1.481 -9.716 -6.229 1.00 0.00 C ATOM 750 C TRP A 54 1.921 -10.399 -4.939 1.00 0.00 C ATOM 751 O TRP A 54 1.357 -11.419 -4.543 1.00 0.00 O ATOM 752 CB TRP A 54 0.121 -9.045 -6.027 1.00 0.00 C ATOM 753 CG TRP A 54 -0.185 -8.000 -7.057 1.00 0.00 C ATOM 754 CD1 TRP A 54 -0.920 -8.163 -8.197 1.00 0.00 C ATOM 755 CD2 TRP A 54 0.238 -6.632 -7.042 1.00 0.00 C ATOM 756 NE1 TRP A 54 -0.979 -6.979 -8.891 1.00 0.00 N ATOM 757 CE2 TRP A 54 -0.277 -6.024 -8.204 1.00 0.00 C ATOM 758 CE3 TRP A 54 1.001 -5.861 -6.160 1.00 0.00 C ATOM 759 CZ2 TRP A 54 -0.053 -4.683 -8.504 1.00 0.00 C ATOM 760 CZ3 TRP A 54 1.222 -4.531 -6.460 1.00 0.00 C ATOM 761 CH2 TRP A 54 0.697 -3.952 -7.623 1.00 0.00 C ATOM 0 H TRP A 54 0.503 -11.112 -7.451 1.00 0.00 H new ATOM 0 HA TRP A 54 2.219 -8.956 -6.485 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.659 -9.806 -6.050 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.092 -8.589 -5.037 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -1.386 -9.087 -8.507 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.467 -6.834 -9.775 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.410 -6.297 -5.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.457 -4.236 -9.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.810 -3.926 -5.786 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.888 -2.909 -7.828 1.00 0.00 H new ATOM 772 N ILE A 55 2.931 -9.831 -4.289 1.00 0.00 N ATOM 773 CA ILE A 55 3.445 -10.386 -3.043 1.00 0.00 C ATOM 774 C ILE A 55 2.721 -9.794 -1.838 1.00 0.00 C ATOM 775 O ILE A 55 2.617 -8.575 -1.699 1.00 0.00 O ATOM 776 CB ILE A 55 4.957 -10.132 -2.895 1.00 0.00 C ATOM 777 CG1 ILE A 55 5.717 -10.753 -4.069 1.00 0.00 C ATOM 778 CG2 ILE A 55 5.461 -10.693 -1.574 1.00 0.00 C ATOM 779 CD1 ILE A 55 7.025 -10.059 -4.376 1.00 0.00 C ATOM 0 H ILE A 55 3.409 -8.987 -4.604 1.00 0.00 H new ATOM 0 HA ILE A 55 3.267 -11.461 -3.079 1.00 0.00 H new ATOM 0 HB ILE A 55 5.133 -9.056 -2.901 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.914 -11.802 -3.849 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.084 -10.727 -4.956 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.531 -10.506 -1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.937 -10.209 -0.750 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.276 -11.767 -1.541 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.509 -10.552 -5.219 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.833 -9.016 -4.627 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.677 -10.108 -3.504 1.00 0.00 H new ATOM 791 N VAL A 56 2.224 -10.666 -0.966 1.00 0.00 N ATOM 792 CA VAL A 56 1.513 -10.230 0.230 1.00 0.00 C ATOM 793 C VAL A 56 2.471 -9.627 1.250 1.00 0.00 C ATOM 794 O VAL A 56 3.341 -10.316 1.783 1.00 0.00 O ATOM 795 CB VAL A 56 0.750 -11.397 0.885 1.00 0.00 C ATOM 796 CG1 VAL A 56 0.132 -10.957 2.204 1.00 0.00 C ATOM 797 CG2 VAL A 56 -0.315 -11.934 -0.059 1.00 0.00 C ATOM 0 H VAL A 56 2.301 -11.678 -1.066 1.00 0.00 H new ATOM 0 HA VAL A 56 0.799 -9.470 -0.086 1.00 0.00 H new ATOM 0 HB VAL A 56 1.457 -12.200 1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.403 -11.794 2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.919 -10.624 2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.563 -10.137 2.024 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.844 -12.758 0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.022 -11.140 -0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.157 -12.290 -0.975 1.00 0.00 H new ATOM 807 N ALA A 57 2.306 -8.336 1.519 1.00 0.00 N ATOM 808 CA ALA A 57 3.154 -7.640 2.478 1.00 0.00 C ATOM 809 C ALA A 57 2.697 -7.904 3.908 1.00 0.00 C ATOM 810 O ALA A 57 3.464 -8.399 4.734 1.00 0.00 O ATOM 811 CB ALA A 57 3.160 -6.146 2.191 1.00 0.00 C ATOM 0 H ALA A 57 1.592 -7.751 1.086 1.00 0.00 H new ATOM 0 HA ALA A 57 4.169 -8.023 2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.798 -5.639 2.915 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.542 -5.970 1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.145 -5.757 2.266 1.00 0.00 H new ATOM 817 N ASN A 58 1.443 -7.570 4.195 1.00 0.00 N ATOM 818 CA ASN A 58 0.885 -7.770 5.527 1.00 0.00 C ATOM 819 C ASN A 58 0.119 -9.087 5.604 1.00 0.00 C ATOM 820 O ASN A 58 -0.909 -9.260 4.950 1.00 0.00 O ATOM 821 CB ASN A 58 -0.040 -6.608 5.895 1.00 0.00 C ATOM 822 CG ASN A 58 -1.150 -6.409 4.881 1.00 0.00 C ATOM 823 OD1 ASN A 58 -0.914 -5.926 3.773 1.00 0.00 O ATOM 824 ND2 ASN A 58 -2.368 -6.780 5.257 1.00 0.00 N ATOM 0 H ASN A 58 0.794 -7.160 3.523 1.00 0.00 H new ATOM 0 HA ASN A 58 1.711 -7.808 6.237 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.477 -6.792 6.877 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.545 -5.692 5.973 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.155 -6.669 4.618 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.517 -7.176 6.185 1.00 0.00 H new ATOM 831 N LYS A 59 0.628 -10.015 6.408 1.00 0.00 N ATOM 832 CA LYS A 59 -0.007 -11.317 6.574 1.00 0.00 C ATOM 833 C LYS A 59 -1.455 -11.162 7.027 1.00 0.00 C ATOM 834 O LYS A 59 -2.358 -11.792 6.477 1.00 0.00 O ATOM 835 CB LYS A 59 0.769 -12.160 7.588 1.00 0.00 C ATOM 836 CG LYS A 59 0.672 -13.655 7.336 1.00 0.00 C ATOM 837 CD LYS A 59 -0.600 -14.239 7.927 1.00 0.00 C ATOM 838 CE LYS A 59 -1.047 -15.481 7.170 1.00 0.00 C ATOM 839 NZ LYS A 59 -1.492 -15.157 5.786 1.00 0.00 N ATOM 0 H LYS A 59 1.479 -9.889 6.955 1.00 0.00 H new ATOM 0 HA LYS A 59 0.001 -11.823 5.609 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.818 -11.864 7.568 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.396 -11.944 8.589 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.697 -13.846 6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.538 -14.155 7.769 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.434 -14.490 8.975 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.392 -13.491 7.900 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.226 -16.197 7.129 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.862 -15.962 7.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.144 -15.894 5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.978 -14.237 5.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.665 -15.113 5.157 1.00 0.00 H new ATOM 853 N ASP A 60 -1.669 -10.319 8.031 1.00 0.00 N ATOM 854 CA ASP A 60 -3.008 -10.080 8.557 1.00 0.00 C ATOM 855 C ASP A 60 -3.484 -8.673 8.210 1.00 0.00 C ATOM 856 O ASP A 60 -2.678 -7.785 7.929 1.00 0.00 O ATOM 857 CB ASP A 60 -3.028 -10.279 10.073 1.00 0.00 C ATOM 858 CG ASP A 60 -4.435 -10.395 10.624 1.00 0.00 C ATOM 859 OD1 ASP A 60 -5.082 -11.437 10.387 1.00 0.00 O ATOM 860 OD2 ASP A 60 -4.891 -9.444 11.292 1.00 0.00 O ATOM 0 H ASP A 60 -0.932 -9.790 8.497 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.686 -10.798 8.096 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.467 -11.179 10.326 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.521 -9.442 10.553 1.00 0.00 H new ATOM 865 N LEU A 61 -4.798 -8.476 8.231 1.00 0.00 N ATOM 866 CA LEU A 61 -5.382 -7.177 7.918 1.00 0.00 C ATOM 867 C LEU A 61 -4.655 -6.060 8.659 1.00 0.00 C ATOM 868 O LEU A 61 -4.220 -6.238 9.797 1.00 0.00 O ATOM 869 CB LEU A 61 -6.868 -7.163 8.282 1.00 0.00 C ATOM 870 CG LEU A 61 -7.791 -7.968 7.367 1.00 0.00 C ATOM 871 CD1 LEU A 61 -9.047 -8.391 8.113 1.00 0.00 C ATOM 872 CD2 LEU A 61 -8.151 -7.160 6.128 1.00 0.00 C ATOM 0 H LEU A 61 -5.479 -9.200 8.462 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.275 -7.007 6.847 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.976 -7.542 9.298 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.210 -6.128 8.290 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.262 -8.867 7.050 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.692 -8.963 7.445 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.772 -9.008 8.968 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.579 -7.506 8.461 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.808 -7.749 5.488 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.660 -6.244 6.426 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.242 -6.908 5.581 1.00 0.00 H new ATOM 884 N ILE A 62 -4.529 -4.909 8.008 1.00 0.00 N ATOM 885 CA ILE A 62 -3.857 -3.762 8.606 1.00 0.00 C ATOM 886 C ILE A 62 -4.849 -2.865 9.339 1.00 0.00 C ATOM 887 O ILE A 62 -5.908 -2.530 8.807 1.00 0.00 O ATOM 888 CB ILE A 62 -3.113 -2.928 7.546 1.00 0.00 C ATOM 889 CG1 ILE A 62 -2.218 -3.829 6.693 1.00 0.00 C ATOM 890 CG2 ILE A 62 -2.292 -1.835 8.213 1.00 0.00 C ATOM 891 CD1 ILE A 62 -1.912 -3.257 5.327 1.00 0.00 C ATOM 0 H ILE A 62 -4.884 -4.746 7.066 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.133 -4.157 9.318 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.848 -2.456 6.894 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.282 -4.004 7.223 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.702 -4.798 6.572 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.772 -1.254 7.451 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.952 -1.180 8.781 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.563 -2.287 8.885 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.273 -3.949 4.778 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.842 -3.108 4.778 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.400 -2.301 5.439 1.00 0.00 H new ATOM 903 N ASP A 63 -4.498 -2.478 10.560 1.00 0.00 N ATOM 904 CA ASP A 63 -5.356 -1.616 11.365 1.00 0.00 C ATOM 905 C ASP A 63 -4.963 -0.151 11.201 1.00 0.00 C ATOM 906 O ASP A 63 -5.819 0.734 11.178 1.00 0.00 O ATOM 907 CB ASP A 63 -5.277 -2.016 12.839 1.00 0.00 C ATOM 908 CG ASP A 63 -5.480 -3.504 13.047 1.00 0.00 C ATOM 909 OD1 ASP A 63 -6.642 -3.958 12.996 1.00 0.00 O ATOM 910 OD2 ASP A 63 -4.475 -4.215 13.260 1.00 0.00 O ATOM 0 H ASP A 63 -3.625 -2.747 11.014 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.382 -1.739 11.017 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.306 -1.725 13.240 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.032 -1.467 13.402 1.00 0.00 H new ATOM 915 N LYS A 64 -3.663 0.098 11.087 1.00 0.00 N ATOM 916 CA LYS A 64 -3.155 1.455 10.925 1.00 0.00 C ATOM 917 C LYS A 64 -3.181 1.873 9.458 1.00 0.00 C ATOM 918 O LYS A 64 -2.987 1.050 8.563 1.00 0.00 O ATOM 919 CB LYS A 64 -1.729 1.556 11.470 1.00 0.00 C ATOM 920 CG LYS A 64 -0.933 0.269 11.334 1.00 0.00 C ATOM 921 CD LYS A 64 0.549 0.502 11.579 1.00 0.00 C ATOM 922 CE LYS A 64 1.380 -0.697 11.148 1.00 0.00 C ATOM 923 NZ LYS A 64 2.746 -0.297 10.712 1.00 0.00 N ATOM 0 H LYS A 64 -2.942 -0.623 11.104 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.801 2.128 11.488 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.204 2.355 10.946 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.770 1.838 12.522 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.308 -0.469 12.043 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.077 -0.145 10.336 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.875 1.387 11.032 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.717 0.701 12.637 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.455 -1.403 11.975 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.875 -1.214 10.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.281 -1.142 10.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.676 0.357 9.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.237 0.174 11.498 1.00 0.00 H new ATOM 937 N THR A 65 -3.419 3.159 9.219 1.00 0.00 N ATOM 938 CA THR A 65 -3.470 3.687 7.861 1.00 0.00 C ATOM 939 C THR A 65 -2.071 3.828 7.274 1.00 0.00 C ATOM 940 O THR A 65 -1.908 4.190 6.108 1.00 0.00 O ATOM 941 CB THR A 65 -4.174 5.057 7.817 1.00 0.00 C ATOM 942 OG1 THR A 65 -3.564 5.951 8.754 1.00 0.00 O ATOM 943 CG2 THR A 65 -5.655 4.915 8.133 1.00 0.00 C ATOM 0 H THR A 65 -3.579 3.854 9.948 1.00 0.00 H new ATOM 0 HA THR A 65 -4.041 2.974 7.266 1.00 0.00 H new ATOM 0 HB THR A 65 -4.071 5.462 6.810 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.257 6.484 9.197 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.131 5.895 8.096 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.122 4.257 7.400 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.775 4.491 9.130 1.00 0.00 H new ATOM 951 N LYS A 66 -1.060 3.539 8.087 1.00 0.00 N ATOM 952 CA LYS A 66 0.327 3.632 7.648 1.00 0.00 C ATOM 953 C LYS A 66 0.985 2.255 7.630 1.00 0.00 C ATOM 954 O LYS A 66 0.796 1.454 8.546 1.00 0.00 O ATOM 955 CB LYS A 66 1.112 4.572 8.565 1.00 0.00 C ATOM 956 CG LYS A 66 2.333 5.187 7.903 1.00 0.00 C ATOM 957 CD LYS A 66 3.240 5.858 8.921 1.00 0.00 C ATOM 958 CE LYS A 66 2.854 7.313 9.138 1.00 0.00 C ATOM 959 NZ LYS A 66 3.933 8.078 9.822 1.00 0.00 N ATOM 0 H LYS A 66 -1.176 3.238 9.055 1.00 0.00 H new ATOM 0 HA LYS A 66 0.335 4.033 6.634 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.452 5.370 8.904 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.428 4.022 9.451 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.889 4.414 7.373 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.016 5.918 7.159 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.186 5.321 9.868 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.274 5.802 8.581 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.633 7.777 8.177 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.942 7.362 9.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.631 9.065 9.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.126 7.651 10.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.797 8.054 9.243 1.00 0.00 H new ATOM 973 N PHE A 67 1.759 1.988 6.584 1.00 0.00 N ATOM 974 CA PHE A 67 2.445 0.709 6.447 1.00 0.00 C ATOM 975 C PHE A 67 3.844 0.901 5.869 1.00 0.00 C ATOM 976 O PHE A 67 4.120 1.896 5.198 1.00 0.00 O ATOM 977 CB PHE A 67 1.637 -0.235 5.555 1.00 0.00 C ATOM 978 CG PHE A 67 2.142 -1.650 5.565 1.00 0.00 C ATOM 979 CD1 PHE A 67 1.669 -2.562 6.495 1.00 0.00 C ATOM 980 CD2 PHE A 67 3.090 -2.067 4.645 1.00 0.00 C ATOM 981 CE1 PHE A 67 2.133 -3.863 6.507 1.00 0.00 C ATOM 982 CE2 PHE A 67 3.558 -3.368 4.652 1.00 0.00 C ATOM 983 CZ PHE A 67 3.078 -4.267 5.584 1.00 0.00 C ATOM 0 H PHE A 67 1.927 2.641 5.818 1.00 0.00 H new ATOM 0 HA PHE A 67 2.539 0.268 7.439 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.597 -0.227 5.880 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.654 0.141 4.532 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.929 -2.252 7.218 1.00 0.00 H new ATOM 0 HD2 PHE A 67 3.468 -1.368 3.914 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.757 -4.564 7.238 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.298 -3.681 3.930 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.441 -5.284 5.591 1.00 0.00 H new ATOM 993 N THR A 68 4.725 -0.059 6.134 1.00 0.00 N ATOM 994 CA THR A 68 6.095 0.004 5.642 1.00 0.00 C ATOM 995 C THR A 68 6.618 -1.384 5.293 1.00 0.00 C ATOM 996 O THR A 68 6.714 -2.257 6.156 1.00 0.00 O ATOM 997 CB THR A 68 7.035 0.649 6.679 1.00 0.00 C ATOM 998 OG1 THR A 68 6.529 1.931 7.068 1.00 0.00 O ATOM 999 CG2 THR A 68 8.439 0.802 6.115 1.00 0.00 C ATOM 0 H THR A 68 4.513 -0.890 6.687 1.00 0.00 H new ATOM 0 HA THR A 68 6.080 0.620 4.743 1.00 0.00 H new ATOM 0 HB THR A 68 7.080 -0.003 7.551 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.029 2.635 6.603 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.084 1.259 6.865 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.832 -0.179 5.847 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.408 1.435 5.228 1.00 0.00 H new ATOM 1007 N ILE A 69 6.956 -1.582 4.023 1.00 0.00 N ATOM 1008 CA ILE A 69 7.472 -2.865 3.561 1.00 0.00 C ATOM 1009 C ILE A 69 8.878 -3.116 4.094 1.00 0.00 C ATOM 1010 O ILE A 69 9.661 -2.184 4.277 1.00 0.00 O ATOM 1011 CB ILE A 69 7.496 -2.940 2.023 1.00 0.00 C ATOM 1012 CG1 ILE A 69 6.123 -2.584 1.451 1.00 0.00 C ATOM 1013 CG2 ILE A 69 7.922 -4.328 1.568 1.00 0.00 C ATOM 1014 CD1 ILE A 69 6.178 -2.039 0.041 1.00 0.00 C ATOM 0 H ILE A 69 6.882 -0.871 3.296 1.00 0.00 H new ATOM 0 HA ILE A 69 6.799 -3.633 3.944 1.00 0.00 H new ATOM 0 HB ILE A 69 8.222 -2.217 1.650 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.492 -3.472 1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.649 -1.847 2.099 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.934 -4.366 0.479 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.919 -4.546 1.950 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.218 -5.068 1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.169 -1.808 -0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.782 -1.132 0.025 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.623 -2.783 -0.620 1.00 0.00 H new ATOM 1026 N THR A 70 9.194 -4.384 4.341 1.00 0.00 N ATOM 1027 CA THR A 70 10.506 -4.759 4.852 1.00 0.00 C ATOM 1028 C THR A 70 11.205 -5.732 3.910 1.00 0.00 C ATOM 1029 O THR A 70 10.574 -6.619 3.337 1.00 0.00 O ATOM 1030 CB THR A 70 10.402 -5.400 6.249 1.00 0.00 C ATOM 1031 OG1 THR A 70 9.430 -6.451 6.235 1.00 0.00 O ATOM 1032 CG2 THR A 70 10.020 -4.362 7.293 1.00 0.00 C ATOM 0 H THR A 70 8.558 -5.168 4.195 1.00 0.00 H new ATOM 0 HA THR A 70 11.092 -3.842 4.923 1.00 0.00 H new ATOM 0 HB THR A 70 11.377 -5.812 6.509 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.371 -6.854 7.126 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.953 -4.838 8.271 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.778 -3.579 7.322 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.056 -3.924 7.035 1.00 0.00 H new ATOM 1040 N GLY A 71 12.515 -5.559 3.753 1.00 0.00 N ATOM 1041 CA GLY A 71 13.278 -6.430 2.879 1.00 0.00 C ATOM 1042 C GLY A 71 13.147 -6.046 1.419 1.00 0.00 C ATOM 1043 O GLY A 71 12.519 -6.759 0.635 1.00 0.00 O ATOM 0 H GLY A 71 13.060 -4.831 4.216 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.329 -6.398 3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.942 -7.458 3.013 1.00 0.00 H new ATOM 1047 N LEU A 72 13.739 -4.915 1.051 1.00 0.00 N ATOM 1048 CA LEU A 72 13.684 -4.435 -0.326 1.00 0.00 C ATOM 1049 C LEU A 72 15.073 -4.047 -0.823 1.00 0.00 C ATOM 1050 O LEU A 72 15.828 -3.348 -0.147 1.00 0.00 O ATOM 1051 CB LEU A 72 12.739 -3.237 -0.432 1.00 0.00 C ATOM 1052 CG LEU A 72 11.257 -3.566 -0.618 1.00 0.00 C ATOM 1053 CD1 LEU A 72 10.395 -2.365 -0.264 1.00 0.00 C ATOM 1054 CD2 LEU A 72 10.986 -4.017 -2.047 1.00 0.00 C ATOM 0 H LEU A 72 14.263 -4.313 1.687 1.00 0.00 H new ATOM 0 HA LEU A 72 13.307 -5.244 -0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.846 -2.634 0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.061 -2.618 -1.270 1.00 0.00 H new ATOM 0 HG LEU A 72 10.999 -4.383 0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.344 -2.618 -0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.567 -2.087 0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.655 -1.527 -0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.927 -4.247 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.261 -3.220 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.576 -4.907 -2.266 1.00 0.00 H new ATOM 1066 N PRO A 73 15.419 -4.509 -2.034 1.00 0.00 N ATOM 1067 CA PRO A 73 16.717 -4.220 -2.650 1.00 0.00 C ATOM 1068 C PRO A 73 16.852 -2.758 -3.061 1.00 0.00 C ATOM 1069 O PRO A 73 15.989 -2.214 -3.752 1.00 0.00 O ATOM 1070 CB PRO A 73 16.733 -5.126 -3.884 1.00 0.00 C ATOM 1071 CG PRO A 73 15.297 -5.347 -4.211 1.00 0.00 C ATOM 1072 CD PRO A 73 14.568 -5.347 -2.896 1.00 0.00 C ATOM 0 HA PRO A 73 17.543 -4.398 -1.962 1.00 0.00 H new ATOM 0 HB2 PRO A 73 17.260 -4.655 -4.714 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.241 -6.068 -3.677 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.921 -4.561 -4.866 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.157 -6.293 -4.735 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.564 -4.934 -2.993 1.00 0.00 H new ATOM 0 HD3 PRO A 73 14.460 -6.355 -2.496 1.00 0.00 H new ATOM 1080 N THR A 74 17.939 -2.125 -2.632 1.00 0.00 N ATOM 1081 CA THR A 74 18.186 -0.725 -2.955 1.00 0.00 C ATOM 1082 C THR A 74 18.136 -0.491 -4.460 1.00 0.00 C ATOM 1083 O THR A 74 18.580 -1.330 -5.244 1.00 0.00 O ATOM 1084 CB THR A 74 19.553 -0.258 -2.420 1.00 0.00 C ATOM 1085 OG1 THR A 74 19.512 -0.159 -0.992 1.00 0.00 O ATOM 1086 CG2 THR A 74 19.936 1.088 -3.016 1.00 0.00 C ATOM 0 H THR A 74 18.663 -2.560 -2.060 1.00 0.00 H new ATOM 0 HA THR A 74 17.398 -0.146 -2.473 1.00 0.00 H new ATOM 0 HB THR A 74 20.303 -0.993 -2.711 1.00 0.00 H new ATOM 0 HG1 THR A 74 18.586 -0.031 -0.699 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.905 1.397 -2.624 1.00 0.00 H new ATOM 0 HG22 THR A 74 19.995 1.002 -4.101 1.00 0.00 H new ATOM 0 HG23 THR A 74 19.183 1.831 -2.751 1.00 0.00 H new ATOM 1094 N ASP A 75 17.593 0.655 -4.858 1.00 0.00 N ATOM 1095 CA ASP A 75 17.486 1.001 -6.271 1.00 0.00 C ATOM 1096 C ASP A 75 16.618 -0.011 -7.013 1.00 0.00 C ATOM 1097 O ASP A 75 17.013 -0.537 -8.053 1.00 0.00 O ATOM 1098 CB ASP A 75 18.875 1.065 -6.908 1.00 0.00 C ATOM 1099 CG ASP A 75 18.835 1.584 -8.332 1.00 0.00 C ATOM 1100 OD1 ASP A 75 18.795 2.818 -8.513 1.00 0.00 O ATOM 1101 OD2 ASP A 75 18.842 0.755 -9.266 1.00 0.00 O ATOM 0 H ASP A 75 17.220 1.360 -4.222 1.00 0.00 H new ATOM 0 HA ASP A 75 17.015 1.981 -6.346 1.00 0.00 H new ATOM 0 HB2 ASP A 75 19.518 1.709 -6.308 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.322 0.071 -6.899 1.00 0.00 H new ATOM 1106 N ALA A 76 15.434 -0.277 -6.472 1.00 0.00 N ATOM 1107 CA ALA A 76 14.510 -1.224 -7.083 1.00 0.00 C ATOM 1108 C ALA A 76 13.130 -0.604 -7.266 1.00 0.00 C ATOM 1109 O ALA A 76 12.609 0.055 -6.366 1.00 0.00 O ATOM 1110 CB ALA A 76 14.416 -2.488 -6.241 1.00 0.00 C ATOM 0 H ALA A 76 15.092 0.150 -5.611 1.00 0.00 H new ATOM 0 HA ALA A 76 14.895 -1.485 -8.069 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.722 -3.186 -6.709 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.401 -2.950 -6.166 1.00 0.00 H new ATOM 0 HB3 ALA A 76 14.058 -2.235 -5.243 1.00 0.00 H new ATOM 1116 N LYS A 77 12.540 -0.818 -8.438 1.00 0.00 N ATOM 1117 CA LYS A 77 11.219 -0.281 -8.739 1.00 0.00 C ATOM 1118 C LYS A 77 10.128 -1.286 -8.383 1.00 0.00 C ATOM 1119 O LYS A 77 10.191 -2.450 -8.778 1.00 0.00 O ATOM 1120 CB LYS A 77 11.122 0.088 -10.222 1.00 0.00 C ATOM 1121 CG LYS A 77 12.075 1.196 -10.636 1.00 0.00 C ATOM 1122 CD LYS A 77 11.603 1.893 -11.901 1.00 0.00 C ATOM 1123 CE LYS A 77 12.590 2.960 -12.351 1.00 0.00 C ATOM 1124 NZ LYS A 77 12.120 3.670 -13.573 1.00 0.00 N ATOM 0 H LYS A 77 12.957 -1.360 -9.195 1.00 0.00 H new ATOM 0 HA LYS A 77 11.073 0.615 -8.136 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.326 -0.798 -10.823 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.101 0.396 -10.445 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.161 1.924 -9.829 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.070 0.780 -10.798 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.473 1.158 -12.695 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.628 2.348 -11.725 1.00 0.00 H new ATOM 0 HE2 LYS A 77 12.738 3.680 -11.547 1.00 0.00 H new ATOM 0 HE3 LYS A 77 13.558 2.499 -12.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.820 4.389 -13.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.003 2.987 -14.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.209 4.131 -13.378 1.00 0.00 H new ATOM 1138 N ILE A 78 9.130 -0.828 -7.635 1.00 0.00 N ATOM 1139 CA ILE A 78 8.024 -1.687 -7.229 1.00 0.00 C ATOM 1140 C ILE A 78 6.701 -0.929 -7.255 1.00 0.00 C ATOM 1141 O ILE A 78 6.672 0.295 -7.130 1.00 0.00 O ATOM 1142 CB ILE A 78 8.247 -2.260 -5.816 1.00 0.00 C ATOM 1143 CG1 ILE A 78 8.417 -1.126 -4.803 1.00 0.00 C ATOM 1144 CG2 ILE A 78 9.461 -3.176 -5.802 1.00 0.00 C ATOM 1145 CD1 ILE A 78 7.115 -0.669 -4.184 1.00 0.00 C ATOM 0 H ILE A 78 9.064 0.132 -7.298 1.00 0.00 H new ATOM 0 HA ILE A 78 7.983 -2.509 -7.944 1.00 0.00 H new ATOM 0 HB ILE A 78 7.371 -2.845 -5.535 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.091 -1.455 -4.012 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.893 -0.278 -5.295 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.606 -3.573 -4.797 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.303 -4.000 -6.498 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.345 -2.613 -6.100 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.312 0.136 -3.476 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.447 -0.309 -4.966 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.647 -1.504 -3.663 1.00 0.00 H new ATOM 1157 N PHE A 79 5.607 -1.666 -7.416 1.00 0.00 N ATOM 1158 CA PHE A 79 4.279 -1.065 -7.458 1.00 0.00 C ATOM 1159 C PHE A 79 3.539 -1.290 -6.143 1.00 0.00 C ATOM 1160 O PHE A 79 3.666 -2.344 -5.518 1.00 0.00 O ATOM 1161 CB PHE A 79 3.469 -1.645 -8.619 1.00 0.00 C ATOM 1162 CG PHE A 79 4.208 -1.641 -9.926 1.00 0.00 C ATOM 1163 CD1 PHE A 79 4.363 -0.467 -10.646 1.00 0.00 C ATOM 1164 CD2 PHE A 79 4.747 -2.811 -10.436 1.00 0.00 C ATOM 1165 CE1 PHE A 79 5.043 -0.460 -11.849 1.00 0.00 C ATOM 1166 CE2 PHE A 79 5.428 -2.810 -11.639 1.00 0.00 C ATOM 1167 CZ PHE A 79 5.575 -1.633 -12.347 1.00 0.00 C ATOM 0 H PHE A 79 5.614 -2.681 -7.520 1.00 0.00 H new ATOM 0 HA PHE A 79 4.398 0.008 -7.609 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.182 -2.668 -8.376 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.548 -1.073 -8.730 1.00 0.00 H new ATOM 0 HD1 PHE A 79 3.948 0.453 -10.262 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.634 -3.734 -9.887 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.158 0.462 -12.399 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.845 -3.729 -12.025 1.00 0.00 H new ATOM 0 HZ PHE A 79 6.105 -1.630 -13.288 1.00 0.00 H new ATOM 1177 N VAL A 80 2.764 -0.293 -5.728 1.00 0.00 N ATOM 1178 CA VAL A 80 2.002 -0.381 -4.488 1.00 0.00 C ATOM 1179 C VAL A 80 0.524 -0.100 -4.730 1.00 0.00 C ATOM 1180 O VAL A 80 0.165 0.901 -5.351 1.00 0.00 O ATOM 1181 CB VAL A 80 2.534 0.605 -3.431 1.00 0.00 C ATOM 1182 CG1 VAL A 80 1.597 0.662 -2.234 1.00 0.00 C ATOM 1183 CG2 VAL A 80 3.940 0.215 -2.999 1.00 0.00 C ATOM 0 H VAL A 80 2.647 0.586 -6.233 1.00 0.00 H new ATOM 0 HA VAL A 80 2.119 -1.399 -4.116 1.00 0.00 H new ATOM 0 HB VAL A 80 2.577 1.599 -3.876 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.989 1.364 -1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.610 0.992 -2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.519 -0.328 -1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.300 0.922 -2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.924 -0.788 -2.572 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.604 0.231 -3.863 1.00 0.00 H new ATOM 1193 N ARG A 81 -0.331 -0.991 -4.237 1.00 0.00 N ATOM 1194 CA ARG A 81 -1.771 -0.839 -4.401 1.00 0.00 C ATOM 1195 C ARG A 81 -2.509 -1.245 -3.128 1.00 0.00 C ATOM 1196 O ARG A 81 -2.259 -2.312 -2.566 1.00 0.00 O ATOM 1197 CB ARG A 81 -2.264 -1.682 -5.579 1.00 0.00 C ATOM 1198 CG ARG A 81 -2.180 -3.180 -5.333 1.00 0.00 C ATOM 1199 CD ARG A 81 -2.772 -3.968 -6.491 1.00 0.00 C ATOM 1200 NE ARG A 81 -2.599 -5.408 -6.318 1.00 0.00 N ATOM 1201 CZ ARG A 81 -3.331 -6.317 -6.952 1.00 0.00 C ATOM 1202 NH1 ARG A 81 -4.280 -5.938 -7.796 1.00 0.00 N ATOM 1203 NH2 ARG A 81 -3.113 -7.609 -6.742 1.00 0.00 N ATOM 0 H ARG A 81 -0.051 -1.825 -3.721 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.979 0.212 -4.603 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.298 -1.416 -5.798 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.677 -1.434 -6.463 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.139 -3.469 -5.190 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -2.709 -3.429 -4.413 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.834 -3.739 -6.580 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.299 -3.655 -7.422 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.877 -5.733 -5.675 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.450 -4.946 -7.960 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.840 -6.639 -8.281 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.383 -7.904 -6.094 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.675 -8.307 -7.229 1.00 0.00 H new ATOM 1217 N VAL A 82 -3.419 -0.387 -2.678 1.00 0.00 N ATOM 1218 CA VAL A 82 -4.193 -0.655 -1.472 1.00 0.00 C ATOM 1219 C VAL A 82 -5.687 -0.692 -1.775 1.00 0.00 C ATOM 1220 O VAL A 82 -6.158 -0.045 -2.711 1.00 0.00 O ATOM 1221 CB VAL A 82 -3.926 0.404 -0.386 1.00 0.00 C ATOM 1222 CG1 VAL A 82 -2.454 0.417 -0.004 1.00 0.00 C ATOM 1223 CG2 VAL A 82 -4.375 1.777 -0.861 1.00 0.00 C ATOM 0 H VAL A 82 -3.638 0.500 -3.131 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.876 -1.630 -1.103 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.504 0.145 0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.284 1.171 0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.169 -0.563 0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.852 0.652 -0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.179 2.514 -0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.825 2.048 -1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.443 1.755 -1.080 1.00 0.00 H new ATOM 1233 N LYS A 83 -6.428 -1.453 -0.977 1.00 0.00 N ATOM 1234 CA LYS A 83 -7.870 -1.574 -1.157 1.00 0.00 C ATOM 1235 C LYS A 83 -8.563 -1.849 0.174 1.00 0.00 C ATOM 1236 O LYS A 83 -7.937 -2.312 1.127 1.00 0.00 O ATOM 1237 CB LYS A 83 -8.189 -2.692 -2.151 1.00 0.00 C ATOM 1238 CG LYS A 83 -7.617 -4.042 -1.752 1.00 0.00 C ATOM 1239 CD LYS A 83 -8.279 -5.176 -2.518 1.00 0.00 C ATOM 1240 CE LYS A 83 -7.423 -6.433 -2.501 1.00 0.00 C ATOM 1241 NZ LYS A 83 -7.882 -7.429 -3.508 1.00 0.00 N ATOM 0 H LYS A 83 -6.054 -1.996 -0.199 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.242 -0.629 -1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.271 -2.780 -2.251 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.800 -2.417 -3.131 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.543 -4.053 -1.939 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.755 -4.195 -0.682 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.254 -5.392 -2.080 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.454 -4.867 -3.549 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.384 -6.168 -2.699 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.454 -6.880 -1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.274 -8.271 -3.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.865 -7.701 -3.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.829 -7.011 -4.459 1.00 0.00 H new ATOM 1255 N ALA A 84 -9.860 -1.563 0.231 1.00 0.00 N ATOM 1256 CA ALA A 84 -10.638 -1.784 1.443 1.00 0.00 C ATOM 1257 C ALA A 84 -11.407 -3.099 1.370 1.00 0.00 C ATOM 1258 O ALA A 84 -12.100 -3.371 0.390 1.00 0.00 O ATOM 1259 CB ALA A 84 -11.595 -0.623 1.675 1.00 0.00 C ATOM 0 H ALA A 84 -10.393 -1.178 -0.548 1.00 0.00 H new ATOM 0 HA ALA A 84 -9.946 -1.844 2.283 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.170 -0.801 2.584 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -11.027 0.301 1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.274 -0.536 0.827 1.00 0.00 H new ATOM 1265 N VAL A 85 -11.279 -3.912 2.414 1.00 0.00 N ATOM 1266 CA VAL A 85 -11.962 -5.199 2.469 1.00 0.00 C ATOM 1267 C VAL A 85 -12.905 -5.271 3.665 1.00 0.00 C ATOM 1268 O VAL A 85 -12.481 -5.131 4.811 1.00 0.00 O ATOM 1269 CB VAL A 85 -10.958 -6.364 2.549 1.00 0.00 C ATOM 1270 CG1 VAL A 85 -11.688 -7.687 2.722 1.00 0.00 C ATOM 1271 CG2 VAL A 85 -10.074 -6.391 1.312 1.00 0.00 C ATOM 0 H VAL A 85 -10.709 -3.702 3.233 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.540 -5.290 1.549 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.320 -6.212 3.420 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.962 -8.499 2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.274 -7.662 3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.352 -7.850 1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -9.371 -7.220 1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.694 -6.518 0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.523 -5.453 1.238 1.00 0.00 H new ATOM 1281 N ASN A 86 -14.186 -5.490 3.389 1.00 0.00 N ATOM 1282 CA ASN A 86 -15.190 -5.580 4.443 1.00 0.00 C ATOM 1283 C ASN A 86 -16.017 -6.854 4.299 1.00 0.00 C ATOM 1284 O ASN A 86 -15.847 -7.612 3.344 1.00 0.00 O ATOM 1285 CB ASN A 86 -16.107 -4.356 4.409 1.00 0.00 C ATOM 1286 CG ASN A 86 -16.292 -3.811 3.006 1.00 0.00 C ATOM 1287 OD1 ASN A 86 -17.408 -3.762 2.489 1.00 0.00 O ATOM 1288 ND2 ASN A 86 -15.194 -3.399 2.382 1.00 0.00 N ATOM 0 H ASN A 86 -14.554 -5.608 2.445 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.672 -5.611 5.402 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -17.079 -4.622 4.824 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -15.691 -3.576 5.047 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.256 -3.023 1.436 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.289 -3.458 2.849 1.00 0.00 H new ATOM 1295 N ALA A 87 -16.914 -7.082 5.253 1.00 0.00 N ATOM 1296 CA ALA A 87 -17.770 -8.262 5.231 1.00 0.00 C ATOM 1297 C ALA A 87 -18.347 -8.496 3.839 1.00 0.00 C ATOM 1298 O ALA A 87 -18.240 -9.591 3.288 1.00 0.00 O ATOM 1299 CB ALA A 87 -18.889 -8.121 6.252 1.00 0.00 C ATOM 0 H ALA A 87 -17.067 -6.465 6.051 1.00 0.00 H new ATOM 0 HA ALA A 87 -17.161 -9.127 5.493 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -19.520 -9.009 6.225 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -18.461 -8.011 7.248 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -19.489 -7.242 6.016 1.00 0.00 H new ATOM 1305 N ALA A 88 -18.959 -7.459 3.275 1.00 0.00 N ATOM 1306 CA ALA A 88 -19.552 -7.552 1.947 1.00 0.00 C ATOM 1307 C ALA A 88 -18.572 -8.162 0.950 1.00 0.00 C ATOM 1308 O ALA A 88 -18.951 -8.984 0.117 1.00 0.00 O ATOM 1309 CB ALA A 88 -20.003 -6.178 1.473 1.00 0.00 C ATOM 0 H ALA A 88 -19.057 -6.545 3.718 1.00 0.00 H new ATOM 0 HA ALA A 88 -20.421 -8.206 2.009 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -20.444 -6.262 0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -20.744 -5.779 2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -19.145 -5.507 1.433 1.00 0.00 H new ATOM 1315 N GLY A 89 -17.310 -7.752 1.041 1.00 0.00 N ATOM 1316 CA GLY A 89 -16.297 -8.268 0.140 1.00 0.00 C ATOM 1317 C GLY A 89 -15.058 -7.396 0.099 1.00 0.00 C ATOM 1318 O GLY A 89 -14.656 -6.829 1.115 1.00 0.00 O ATOM 0 H GLY A 89 -16.972 -7.072 1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -16.018 -9.275 0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -16.715 -8.348 -0.864 1.00 0.00 H new ATOM 1322 N ALA A 90 -14.450 -7.287 -1.078 1.00 0.00 N ATOM 1323 CA ALA A 90 -13.250 -6.477 -1.246 1.00 0.00 C ATOM 1324 C ALA A 90 -13.487 -5.346 -2.242 1.00 0.00 C ATOM 1325 O ALA A 90 -14.444 -5.378 -3.015 1.00 0.00 O ATOM 1326 CB ALA A 90 -12.086 -7.346 -1.698 1.00 0.00 C ATOM 0 H ALA A 90 -14.769 -7.750 -1.929 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.003 -6.032 -0.282 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.196 -6.728 -1.820 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.894 -8.115 -0.950 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.332 -7.818 -2.649 1.00 0.00 H new ATOM 1332 N SER A 91 -12.609 -4.348 -2.216 1.00 0.00 N ATOM 1333 CA SER A 91 -12.726 -3.205 -3.114 1.00 0.00 C ATOM 1334 C SER A 91 -11.689 -3.283 -4.230 1.00 0.00 C ATOM 1335 O SER A 91 -10.675 -3.969 -4.102 1.00 0.00 O ATOM 1336 CB SER A 91 -12.556 -1.899 -2.335 1.00 0.00 C ATOM 1337 OG SER A 91 -13.798 -1.441 -1.830 1.00 0.00 O ATOM 0 H SER A 91 -11.810 -4.308 -1.584 1.00 0.00 H new ATOM 0 HA SER A 91 -13.719 -3.226 -3.562 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.859 -2.052 -1.511 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.121 -1.139 -2.984 1.00 0.00 H new ATOM 0 HG SER A 91 -13.662 -0.606 -1.335 1.00 0.00 H new ATOM 1343 N GLU A 92 -11.952 -2.575 -5.324 1.00 0.00 N ATOM 1344 CA GLU A 92 -11.042 -2.565 -6.464 1.00 0.00 C ATOM 1345 C GLU A 92 -9.665 -2.050 -6.056 1.00 0.00 C ATOM 1346 O GLU A 92 -9.532 -1.147 -5.229 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.610 -1.700 -7.590 1.00 0.00 C ATOM 1348 CG GLU A 92 -11.314 -0.218 -7.428 1.00 0.00 C ATOM 1349 CD GLU A 92 -11.784 0.604 -8.612 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -12.888 0.329 -9.126 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -11.046 1.523 -9.025 1.00 0.00 O ATOM 0 H GLU A 92 -12.787 -2.001 -5.445 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.936 -3.589 -6.821 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.201 -2.042 -8.541 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.690 -1.843 -7.637 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.797 0.148 -6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.241 -0.078 -7.296 1.00 0.00 H new ATOM 1358 N PRO A 93 -8.614 -2.636 -6.649 1.00 0.00 N ATOM 1359 CA PRO A 93 -7.229 -2.253 -6.363 1.00 0.00 C ATOM 1360 C PRO A 93 -6.886 -0.870 -6.905 1.00 0.00 C ATOM 1361 O PRO A 93 -7.477 -0.411 -7.883 1.00 0.00 O ATOM 1362 CB PRO A 93 -6.408 -3.327 -7.082 1.00 0.00 C ATOM 1363 CG PRO A 93 -7.296 -3.813 -8.176 1.00 0.00 C ATOM 1364 CD PRO A 93 -8.699 -3.719 -7.643 1.00 0.00 C ATOM 0 HA PRO A 93 -7.036 -2.195 -5.292 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.480 -2.916 -7.479 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.135 -4.136 -6.405 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.178 -3.206 -9.073 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.051 -4.839 -8.451 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.414 -3.485 -8.432 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.020 -4.657 -7.189 1.00 0.00 H new ATOM 1372 N LYS A 94 -5.928 -0.209 -6.265 1.00 0.00 N ATOM 1373 CA LYS A 94 -5.505 1.122 -6.684 1.00 0.00 C ATOM 1374 C LYS A 94 -4.049 1.113 -7.138 1.00 0.00 C ATOM 1375 O LYS A 94 -3.140 0.898 -6.337 1.00 0.00 O ATOM 1376 CB LYS A 94 -5.686 2.121 -5.538 1.00 0.00 C ATOM 1377 CG LYS A 94 -5.978 3.536 -6.006 1.00 0.00 C ATOM 1378 CD LYS A 94 -4.698 4.305 -6.289 1.00 0.00 C ATOM 1379 CE LYS A 94 -4.942 5.807 -6.303 1.00 0.00 C ATOM 1380 NZ LYS A 94 -5.703 6.234 -7.509 1.00 0.00 N ATOM 0 H LYS A 94 -5.429 -0.574 -5.453 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.128 1.425 -7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.501 1.783 -4.898 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.783 2.128 -4.927 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.591 3.503 -6.907 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.557 4.059 -5.246 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.952 4.063 -5.532 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.289 3.993 -7.250 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.491 6.094 -5.406 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.986 6.330 -6.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.849 7.263 -7.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.167 5.983 -8.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.626 5.754 -7.525 1.00 0.00 H new ATOM 1394 N TYR A 95 -3.836 1.348 -8.428 1.00 0.00 N ATOM 1395 CA TYR A 95 -2.490 1.365 -8.989 1.00 0.00 C ATOM 1396 C TYR A 95 -1.936 2.786 -9.032 1.00 0.00 C ATOM 1397 O TYR A 95 -2.454 3.645 -9.745 1.00 0.00 O ATOM 1398 CB TYR A 95 -2.494 0.765 -10.396 1.00 0.00 C ATOM 1399 CG TYR A 95 -2.517 -0.747 -10.409 1.00 0.00 C ATOM 1400 CD1 TYR A 95 -3.556 -1.451 -9.813 1.00 0.00 C ATOM 1401 CD2 TYR A 95 -1.501 -1.472 -11.019 1.00 0.00 C ATOM 1402 CE1 TYR A 95 -3.581 -2.832 -9.822 1.00 0.00 C ATOM 1403 CE2 TYR A 95 -1.518 -2.853 -11.035 1.00 0.00 C ATOM 1404 CZ TYR A 95 -2.560 -3.529 -10.434 1.00 0.00 C ATOM 1405 OH TYR A 95 -2.582 -4.904 -10.447 1.00 0.00 O ATOM 0 H TYR A 95 -4.578 1.529 -9.105 1.00 0.00 H new ATOM 0 HA TYR A 95 -1.848 0.763 -8.346 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.363 1.138 -10.939 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.610 1.111 -10.932 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -4.358 -0.909 -9.334 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -0.683 -0.946 -11.489 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.396 -3.363 -9.352 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -0.720 -3.401 -11.515 1.00 0.00 H new ATOM 0 HH TYR A 95 -2.046 -5.247 -9.702 1.00 0.00 H new ATOM 1415 N TYR A 96 -0.878 3.024 -8.265 1.00 0.00 N ATOM 1416 CA TYR A 96 -0.253 4.340 -8.212 1.00 0.00 C ATOM 1417 C TYR A 96 0.189 4.789 -9.602 1.00 0.00 C ATOM 1418 O TYR A 96 0.220 3.996 -10.542 1.00 0.00 O ATOM 1419 CB TYR A 96 0.948 4.320 -7.265 1.00 0.00 C ATOM 1420 CG TYR A 96 1.460 5.697 -6.907 1.00 0.00 C ATOM 1421 CD1 TYR A 96 2.428 6.323 -7.683 1.00 0.00 C ATOM 1422 CD2 TYR A 96 0.975 6.373 -5.794 1.00 0.00 C ATOM 1423 CE1 TYR A 96 2.900 7.581 -7.360 1.00 0.00 C ATOM 1424 CE2 TYR A 96 1.439 7.632 -5.464 1.00 0.00 C ATOM 1425 CZ TYR A 96 2.402 8.231 -6.250 1.00 0.00 C ATOM 1426 OH TYR A 96 2.868 9.485 -5.925 1.00 0.00 O ATOM 0 H TYR A 96 -0.435 2.323 -7.671 1.00 0.00 H new ATOM 0 HA TYR A 96 -0.991 5.050 -7.837 1.00 0.00 H new ATOM 0 HB2 TYR A 96 0.670 3.796 -6.351 1.00 0.00 H new ATOM 0 HB3 TYR A 96 1.755 3.750 -7.727 1.00 0.00 H new ATOM 0 HD1 TYR A 96 2.818 5.817 -8.554 1.00 0.00 H new ATOM 0 HD2 TYR A 96 0.222 5.906 -5.176 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.654 8.052 -7.973 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.050 8.144 -4.596 1.00 0.00 H new ATOM 0 HH TYR A 96 2.414 9.803 -5.117 1.00 0.00 H new ATOM 1436 N SER A 97 0.533 6.067 -9.722 1.00 0.00 N ATOM 1437 CA SER A 97 0.971 6.625 -10.997 1.00 0.00 C ATOM 1438 C SER A 97 2.264 5.963 -11.463 1.00 0.00 C ATOM 1439 O SER A 97 2.262 5.170 -12.404 1.00 0.00 O ATOM 1440 CB SER A 97 1.174 8.136 -10.874 1.00 0.00 C ATOM 1441 OG SER A 97 1.803 8.662 -12.030 1.00 0.00 O ATOM 0 H SER A 97 0.517 6.736 -8.952 1.00 0.00 H new ATOM 0 HA SER A 97 0.195 6.429 -11.737 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.211 8.625 -10.726 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.781 8.354 -9.995 1.00 0.00 H new ATOM 0 HG SER A 97 1.920 9.630 -11.927 1.00 0.00 H new ATOM 1447 N GLN A 98 3.365 6.295 -10.797 1.00 0.00 N ATOM 1448 CA GLN A 98 4.665 5.733 -11.144 1.00 0.00 C ATOM 1449 C GLN A 98 5.143 4.762 -10.070 1.00 0.00 C ATOM 1450 O GLN A 98 4.779 4.866 -8.898 1.00 0.00 O ATOM 1451 CB GLN A 98 5.693 6.851 -11.332 1.00 0.00 C ATOM 1452 CG GLN A 98 5.499 7.647 -12.612 1.00 0.00 C ATOM 1453 CD GLN A 98 6.592 8.674 -12.832 1.00 0.00 C ATOM 1454 OE1 GLN A 98 7.774 8.393 -12.630 1.00 0.00 O ATOM 1455 NE2 GLN A 98 6.202 9.874 -13.248 1.00 0.00 N ATOM 0 H GLN A 98 3.383 6.950 -10.015 1.00 0.00 H new ATOM 0 HA GLN A 98 4.558 5.186 -12.080 1.00 0.00 H new ATOM 0 HB2 GLN A 98 5.639 7.529 -10.481 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.693 6.417 -11.332 1.00 0.00 H new ATOM 0 HG2 GLN A 98 5.472 6.963 -13.460 1.00 0.00 H new ATOM 0 HG3 GLN A 98 4.533 8.151 -12.579 1.00 0.00 H new ATOM 0 HE21 GLN A 98 5.212 10.063 -13.403 1.00 0.00 H new ATOM 0 HE22 GLN A 98 6.893 10.606 -13.413 1.00 0.00 H new ATOM 1464 N PRO A 99 5.978 3.794 -10.475 1.00 0.00 N ATOM 1465 CA PRO A 99 6.523 2.786 -9.562 1.00 0.00 C ATOM 1466 C PRO A 99 7.529 3.376 -8.580 1.00 0.00 C ATOM 1467 O PRO A 99 8.478 4.051 -8.979 1.00 0.00 O ATOM 1468 CB PRO A 99 7.213 1.793 -10.501 1.00 0.00 C ATOM 1469 CG PRO A 99 7.550 2.590 -11.714 1.00 0.00 C ATOM 1470 CD PRO A 99 6.454 3.610 -11.856 1.00 0.00 C ATOM 0 HA PRO A 99 5.748 2.338 -8.940 1.00 0.00 H new ATOM 0 HB2 PRO A 99 8.108 1.371 -10.043 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.557 0.958 -10.746 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.521 3.073 -11.606 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.607 1.953 -12.596 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.826 4.543 -12.281 1.00 0.00 H new ATOM 0 HD3 PRO A 99 5.658 3.256 -12.512 1.00 0.00 H new ATOM 1478 N ILE A 100 7.314 3.118 -7.294 1.00 0.00 N ATOM 1479 CA ILE A 100 8.203 3.624 -6.255 1.00 0.00 C ATOM 1480 C ILE A 100 9.565 2.940 -6.317 1.00 0.00 C ATOM 1481 O ILE A 100 9.654 1.714 -6.396 1.00 0.00 O ATOM 1482 CB ILE A 100 7.602 3.421 -4.852 1.00 0.00 C ATOM 1483 CG1 ILE A 100 6.184 3.992 -4.793 1.00 0.00 C ATOM 1484 CG2 ILE A 100 8.486 4.072 -3.798 1.00 0.00 C ATOM 1485 CD1 ILE A 100 5.121 3.018 -5.252 1.00 0.00 C ATOM 0 H ILE A 100 6.532 2.562 -6.947 1.00 0.00 H new ATOM 0 HA ILE A 100 8.326 4.692 -6.437 1.00 0.00 H new ATOM 0 HB ILE A 100 7.551 2.352 -4.646 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.967 4.299 -3.770 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.136 4.888 -5.412 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.048 3.920 -2.811 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.479 3.623 -3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.565 5.140 -3.999 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.141 3.490 -5.183 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.313 2.730 -6.285 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.142 2.131 -4.618 1.00 0.00 H new ATOM 1497 N LEU A 101 10.625 3.740 -6.278 1.00 0.00 N ATOM 1498 CA LEU A 101 11.984 3.213 -6.327 1.00 0.00 C ATOM 1499 C LEU A 101 12.667 3.340 -4.969 1.00 0.00 C ATOM 1500 O LEU A 101 13.223 4.387 -4.638 1.00 0.00 O ATOM 1501 CB LEU A 101 12.800 3.949 -7.392 1.00 0.00 C ATOM 1502 CG LEU A 101 14.291 3.615 -7.445 1.00 0.00 C ATOM 1503 CD1 LEU A 101 14.523 2.330 -8.225 1.00 0.00 C ATOM 1504 CD2 LEU A 101 15.073 4.765 -8.062 1.00 0.00 C ATOM 0 H LEU A 101 10.569 4.756 -6.213 1.00 0.00 H new ATOM 0 HA LEU A 101 11.928 2.156 -6.587 1.00 0.00 H new ATOM 0 HB2 LEU A 101 12.365 3.733 -8.368 1.00 0.00 H new ATOM 0 HB3 LEU A 101 12.694 5.021 -7.226 1.00 0.00 H new ATOM 0 HG LEU A 101 14.647 3.466 -6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.590 2.108 -8.252 1.00 0.00 H new ATOM 0 HD12 LEU A 101 13.994 1.509 -7.740 1.00 0.00 H new ATOM 0 HD13 LEU A 101 14.151 2.450 -9.243 1.00 0.00 H new ATOM 0 HD21 LEU A 101 16.132 4.510 -8.092 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.715 4.946 -9.075 1.00 0.00 H new ATOM 0 HD23 LEU A 101 14.933 5.664 -7.461 1.00 0.00 H new ATOM 1516 N VAL A 102 12.622 2.266 -4.188 1.00 0.00 N ATOM 1517 CA VAL A 102 13.240 2.255 -2.867 1.00 0.00 C ATOM 1518 C VAL A 102 14.599 2.945 -2.890 1.00 0.00 C ATOM 1519 O VAL A 102 15.590 2.373 -3.343 1.00 0.00 O ATOM 1520 CB VAL A 102 13.414 0.818 -2.340 1.00 0.00 C ATOM 1521 CG1 VAL A 102 14.168 -0.033 -3.350 1.00 0.00 C ATOM 1522 CG2 VAL A 102 14.130 0.827 -0.998 1.00 0.00 C ATOM 0 H VAL A 102 12.164 1.392 -4.447 1.00 0.00 H new ATOM 0 HA VAL A 102 12.571 2.799 -2.200 1.00 0.00 H new ATOM 0 HB VAL A 102 12.427 0.379 -2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 102 14.282 -1.045 -2.961 1.00 0.00 H new ATOM 0 HG12 VAL A 102 13.611 -0.065 -4.287 1.00 0.00 H new ATOM 0 HG13 VAL A 102 15.152 0.400 -3.528 1.00 0.00 H new ATOM 0 HG21 VAL A 102 14.245 -0.196 -0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 102 15.113 1.284 -1.113 1.00 0.00 H new ATOM 0 HG23 VAL A 102 13.546 1.400 -0.278 1.00 0.00 H new ATOM 1532 N LYS A 103 14.639 4.178 -2.397 1.00 0.00 N ATOM 1533 CA LYS A 103 15.877 4.948 -2.359 1.00 0.00 C ATOM 1534 C LYS A 103 15.956 5.788 -1.089 1.00 0.00 C ATOM 1535 O LYS A 103 14.932 6.148 -0.507 1.00 0.00 O ATOM 1536 CB LYS A 103 15.977 5.853 -3.589 1.00 0.00 C ATOM 1537 CG LYS A 103 17.301 6.589 -3.696 1.00 0.00 C ATOM 1538 CD LYS A 103 18.425 5.656 -4.115 1.00 0.00 C ATOM 1539 CE LYS A 103 19.621 6.429 -4.650 1.00 0.00 C ATOM 1540 NZ LYS A 103 20.275 7.244 -3.589 1.00 0.00 N ATOM 0 H LYS A 103 13.828 4.666 -2.018 1.00 0.00 H new ATOM 0 HA LYS A 103 16.712 4.247 -2.363 1.00 0.00 H new ATOM 0 HB2 LYS A 103 15.832 5.251 -4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 103 15.167 6.582 -3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 103 17.211 7.399 -4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 103 17.544 7.045 -2.736 1.00 0.00 H new ATOM 0 HD2 LYS A 103 18.733 5.051 -3.263 1.00 0.00 H new ATOM 0 HD3 LYS A 103 18.063 4.969 -4.880 1.00 0.00 H new ATOM 0 HE2 LYS A 103 20.346 5.732 -5.070 1.00 0.00 H new ATOM 0 HE3 LYS A 103 19.298 7.081 -5.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 21.085 7.755 -3.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 19.591 7.927 -3.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 20.606 6.620 -2.826 1.00 0.00 H new ATOM 1554 N GLU A 104 17.177 6.099 -0.665 1.00 0.00 N ATOM 1555 CA GLU A 104 17.387 6.898 0.537 1.00 0.00 C ATOM 1556 C GLU A 104 17.477 8.382 0.194 1.00 0.00 C ATOM 1557 O GLU A 104 17.892 8.753 -0.904 1.00 0.00 O ATOM 1558 CB GLU A 104 18.662 6.452 1.256 1.00 0.00 C ATOM 1559 CG GLU A 104 19.193 7.475 2.246 1.00 0.00 C ATOM 1560 CD GLU A 104 20.157 8.457 1.610 1.00 0.00 C ATOM 1561 OE1 GLU A 104 20.973 8.028 0.769 1.00 0.00 O ATOM 1562 OE2 GLU A 104 20.094 9.656 1.954 1.00 0.00 O ATOM 0 H GLU A 104 18.035 5.810 -1.135 1.00 0.00 H new ATOM 0 HA GLU A 104 16.533 6.746 1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 104 18.464 5.518 1.782 1.00 0.00 H new ATOM 0 HB3 GLU A 104 19.433 6.243 0.514 1.00 0.00 H new ATOM 0 HG2 GLU A 104 18.357 8.023 2.681 1.00 0.00 H new ATOM 0 HG3 GLU A 104 19.694 6.957 3.064 1.00 0.00 H new ATOM 1569 N SER A 105 17.083 9.227 1.142 1.00 0.00 N ATOM 1570 CA SER A 105 17.114 10.671 0.940 1.00 0.00 C ATOM 1571 C SER A 105 16.868 11.408 2.253 1.00 0.00 C ATOM 1572 O SER A 105 15.776 11.351 2.816 1.00 0.00 O ATOM 1573 CB SER A 105 16.066 11.085 -0.094 1.00 0.00 C ATOM 1574 OG SER A 105 16.516 10.819 -1.411 1.00 0.00 O ATOM 0 H SER A 105 16.739 8.936 2.057 1.00 0.00 H new ATOM 0 HA SER A 105 18.104 10.941 0.572 1.00 0.00 H new ATOM 0 HB2 SER A 105 15.136 10.548 0.091 1.00 0.00 H new ATOM 0 HB3 SER A 105 15.847 12.148 0.011 1.00 0.00 H new ATOM 0 HG SER A 105 17.330 10.275 -1.375 1.00 0.00 H new ATOM 1580 N GLY A 106 17.895 12.101 2.737 1.00 0.00 N ATOM 1581 CA GLY A 106 17.772 12.840 3.979 1.00 0.00 C ATOM 1582 C GLY A 106 16.755 13.961 3.889 1.00 0.00 C ATOM 1583 O GLY A 106 16.337 14.363 2.803 1.00 0.00 O ATOM 0 H GLY A 106 18.810 12.163 2.290 1.00 0.00 H new ATOM 0 HA2 GLY A 106 17.485 12.156 4.778 1.00 0.00 H new ATOM 0 HA3 GLY A 106 18.743 13.255 4.249 1.00 0.00 H new ATOM 1587 N PRO A 107 16.339 14.483 5.053 1.00 0.00 N ATOM 1588 CA PRO A 107 15.358 15.569 5.127 1.00 0.00 C ATOM 1589 C PRO A 107 15.921 16.894 4.622 1.00 0.00 C ATOM 1590 O PRO A 107 16.818 17.472 5.236 1.00 0.00 O ATOM 1591 CB PRO A 107 15.040 15.659 6.622 1.00 0.00 C ATOM 1592 CG PRO A 107 16.250 15.115 7.300 1.00 0.00 C ATOM 1593 CD PRO A 107 16.794 14.052 6.385 1.00 0.00 C ATOM 0 HA PRO A 107 14.486 15.374 4.503 1.00 0.00 H new ATOM 0 HB2 PRO A 107 14.846 16.688 6.924 1.00 0.00 H new ATOM 0 HB3 PRO A 107 14.151 15.080 6.873 1.00 0.00 H new ATOM 0 HG2 PRO A 107 16.988 15.899 7.470 1.00 0.00 H new ATOM 0 HG3 PRO A 107 15.997 14.699 8.275 1.00 0.00 H new ATOM 0 HD2 PRO A 107 17.881 13.993 6.439 1.00 0.00 H new ATOM 0 HD3 PRO A 107 16.409 13.065 6.641 1.00 0.00 H new ATOM 1601 N SER A 108 15.388 17.369 3.501 1.00 0.00 N ATOM 1602 CA SER A 108 15.840 18.623 2.912 1.00 0.00 C ATOM 1603 C SER A 108 15.020 19.797 3.438 1.00 0.00 C ATOM 1604 O SER A 108 13.803 19.849 3.258 1.00 0.00 O ATOM 1605 CB SER A 108 15.740 18.560 1.386 1.00 0.00 C ATOM 1606 OG SER A 108 15.923 19.842 0.810 1.00 0.00 O ATOM 0 H SER A 108 14.643 16.904 2.983 1.00 0.00 H new ATOM 0 HA SER A 108 16.882 18.774 3.195 1.00 0.00 H new ATOM 0 HB2 SER A 108 16.491 17.872 0.997 1.00 0.00 H new ATOM 0 HB3 SER A 108 14.766 18.164 1.098 1.00 0.00 H new ATOM 0 HG SER A 108 15.856 19.775 -0.165 1.00 0.00 H new ATOM 1612 N SER A 109 15.696 20.738 4.090 1.00 0.00 N ATOM 1613 CA SER A 109 15.031 21.910 4.647 1.00 0.00 C ATOM 1614 C SER A 109 15.365 23.160 3.839 1.00 0.00 C ATOM 1615 O SER A 109 16.306 23.167 3.046 1.00 0.00 O ATOM 1616 CB SER A 109 15.440 22.109 6.108 1.00 0.00 C ATOM 1617 OG SER A 109 16.812 22.447 6.212 1.00 0.00 O ATOM 0 H SER A 109 16.704 20.711 4.245 1.00 0.00 H new ATOM 0 HA SER A 109 13.955 21.744 4.598 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.833 22.897 6.555 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.243 21.197 6.671 1.00 0.00 H new ATOM 0 HG SER A 109 17.048 22.570 7.155 1.00 0.00 H new ATOM 1623 N GLY A 110 14.587 24.218 4.047 1.00 0.00 N ATOM 1624 CA GLY A 110 14.816 25.459 3.331 1.00 0.00 C ATOM 1625 C GLY A 110 13.742 26.493 3.606 1.00 0.00 C ATOM 1626 O GLY A 110 12.783 26.224 4.329 1.00 0.00 O ATOM 0 H GLY A 110 13.802 24.238 4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.787 25.864 3.614 1.00 0.00 H new ATOM 0 HA3 GLY A 110 14.855 25.256 2.261 1.00 0.00 H new TER 1630 GLY A 110