USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 811 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 63 LYS NZ :NH3+ -135:sc= 0.822 (180deg=0.197) USER MOD Set 1.2: A 102 GLN : amide:sc= -1.98! C(o=-1.2!,f=-1.5!) USER MOD Single : A 1 GLY N :NH3+ 170:sc= -0.0262 (180deg=-0.131) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0051 USER MOD Single : A 3 SER OG : rot 180:sc= -0.109 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -3.63! C(o=-3.6!,f=-3.6!) USER MOD Single : A 21 SER OG : rot -147:sc= -1.2! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 32 LYS NZ :NH3+ -123:sc= -1.93 (180deg=-4.48!) USER MOD Single : A 36 ASN : amide:sc= -1.4! C(o=-1.4!,f=-2.5!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -1.42 X(o=-1.4,f=-1.4) USER MOD Single : A 45 TYR OH : rot 165:sc= -2.2 USER MOD Single : A 47 LYS NZ :NH3+ 169:sc= -0.0277 (180deg=-0.0867) USER MOD Single : A 52 GLN : amide:sc= -3 K(o=-3,f=-4.4!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HE2:sc= -8.78! C(o=-8.8!,f=-14!) USER MOD Single : A 71 ASN : amide:sc= -1.47! C(o=-1.5!,f=-2.5!) USER MOD Single : A 74 SER OG : rot 1:sc= 0.693 USER MOD Single : A 79 THR OG1 : rot 160:sc= -0.689 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -1.73 F(o=-4.9!,f=-1.7) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -6.46! C(o=-6.5!,f=-12!) USER MOD Single : A 86 THR OG1 : rot -80:sc= -3.87! USER MOD Single : A 89 ASN : amide:sc= -0.0461 X(o=-0.046,f=-0.39) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.697 USER MOD Single : A 92 GLN : amide:sc= -3.29 K(o=-3.3,f=-12!) USER MOD Single : A 95 HIS : no HD1:sc= -10.3! C(o=-10!,f=-11!) USER MOD Single : A 100 LYS NZ :NH3+ -147:sc= -4.27! (180deg=-5.93!) USER MOD Single : A 103 SER OG : rot 41:sc= 0.981 USER MOD Single : A 105 THR OG1 : rot 44:sc= -0.273! USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.675 -4.095 -21.754 1.00 0.00 N ATOM 2 CA GLY A 1 4.669 -4.839 -20.948 1.00 0.00 C ATOM 3 C GLY A 1 5.303 -5.652 -19.836 1.00 0.00 C ATOM 4 O GLY A 1 4.769 -6.685 -19.432 1.00 0.00 O ATOM 0 H1 GLY A 1 5.217 -3.694 -22.597 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.079 -3.327 -21.181 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.433 -4.744 -22.048 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.958 -4.133 -20.518 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.103 -5.503 -21.602 1.00 0.00 H new ATOM 10 N SER A 2 6.445 -5.185 -19.342 1.00 0.00 N ATOM 11 CA SER A 2 7.152 -5.876 -18.270 1.00 0.00 C ATOM 12 C SER A 2 7.957 -4.892 -17.427 1.00 0.00 C ATOM 13 O SER A 2 8.462 -3.891 -17.935 1.00 0.00 O ATOM 14 CB SER A 2 8.079 -6.945 -18.850 1.00 0.00 C ATOM 15 OG SER A 2 7.344 -7.939 -19.542 1.00 0.00 O ATOM 0 H SER A 2 6.900 -4.332 -19.667 1.00 0.00 H new ATOM 0 HA SER A 2 6.412 -6.355 -17.629 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.795 -6.480 -19.528 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.654 -7.407 -18.047 1.00 0.00 H new ATOM 0 HG SER A 2 7.961 -8.609 -19.904 1.00 0.00 H new ATOM 21 N SER A 3 8.071 -5.184 -16.135 1.00 0.00 N ATOM 22 CA SER A 3 8.813 -4.325 -15.219 1.00 0.00 C ATOM 23 C SER A 3 8.844 -4.925 -13.815 1.00 0.00 C ATOM 24 O SER A 3 8.063 -5.821 -13.498 1.00 0.00 O ATOM 25 CB SER A 3 8.190 -2.929 -15.177 1.00 0.00 C ATOM 26 OG SER A 3 6.814 -2.973 -15.515 1.00 0.00 O ATOM 0 H SER A 3 7.659 -6.009 -15.699 1.00 0.00 H new ATOM 0 HA SER A 3 9.837 -4.246 -15.584 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.309 -2.504 -14.180 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.717 -2.272 -15.869 1.00 0.00 H new ATOM 0 HG SER A 3 6.439 -2.068 -15.479 1.00 0.00 H new ATOM 32 N PRO A 4 9.751 -4.434 -12.952 1.00 0.00 N ATOM 33 CA PRO A 4 9.879 -4.925 -11.576 1.00 0.00 C ATOM 34 C PRO A 4 8.661 -4.575 -10.721 1.00 0.00 C ATOM 35 O PRO A 4 8.437 -3.408 -10.399 1.00 0.00 O ATOM 36 CB PRO A 4 11.124 -4.204 -11.051 1.00 0.00 C ATOM 37 CG PRO A 4 11.237 -2.981 -11.892 1.00 0.00 C ATOM 38 CD PRO A 4 10.719 -3.363 -13.249 1.00 0.00 C ATOM 0 HA PRO A 4 9.954 -6.012 -11.538 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.019 -3.951 -9.996 1.00 0.00 H new ATOM 0 HB3 PRO A 4 12.012 -4.830 -11.142 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.656 -2.161 -11.469 1.00 0.00 H new ATOM 0 HG3 PRO A 4 12.271 -2.642 -11.950 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.245 -2.520 -13.751 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.519 -3.713 -13.901 1.00 0.00 H new ATOM 46 N PRO A 5 7.854 -5.583 -10.340 1.00 0.00 N ATOM 47 CA PRO A 5 6.658 -5.367 -9.522 1.00 0.00 C ATOM 48 C PRO A 5 6.993 -5.127 -8.052 1.00 0.00 C ATOM 49 O PRO A 5 6.551 -5.870 -7.176 1.00 0.00 O ATOM 50 CB PRO A 5 5.885 -6.673 -9.689 1.00 0.00 C ATOM 51 CG PRO A 5 6.937 -7.702 -9.922 1.00 0.00 C ATOM 52 CD PRO A 5 8.040 -7.009 -10.677 1.00 0.00 C ATOM 0 HA PRO A 5 6.103 -4.481 -9.831 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.296 -6.902 -8.801 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.190 -6.619 -10.527 1.00 0.00 H new ATOM 0 HG2 PRO A 5 7.304 -8.104 -8.978 1.00 0.00 H new ATOM 0 HG3 PRO A 5 6.541 -8.541 -10.494 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.022 -7.368 -10.370 1.00 0.00 H new ATOM 0 HD3 PRO A 5 7.959 -7.180 -11.750 1.00 0.00 H new ATOM 60 N LYS A 6 7.774 -4.085 -7.789 1.00 0.00 N ATOM 61 CA LYS A 6 8.163 -3.749 -6.424 1.00 0.00 C ATOM 62 C LYS A 6 7.449 -2.518 -5.940 1.00 0.00 C ATOM 63 O LYS A 6 7.236 -1.561 -6.685 1.00 0.00 O ATOM 64 CB LYS A 6 9.680 -3.573 -6.315 1.00 0.00 C ATOM 65 CG LYS A 6 10.355 -4.633 -5.460 1.00 0.00 C ATOM 66 CD LYS A 6 11.458 -4.037 -4.599 1.00 0.00 C ATOM 67 CE LYS A 6 10.898 -3.073 -3.566 1.00 0.00 C ATOM 68 NZ LYS A 6 11.774 -1.883 -3.384 1.00 0.00 N ATOM 0 H LYS A 6 8.150 -3.459 -8.502 1.00 0.00 H new ATOM 0 HA LYS A 6 7.869 -4.580 -5.783 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.113 -3.595 -7.315 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.894 -2.590 -5.896 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.613 -5.113 -4.822 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.773 -5.408 -6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.000 -4.837 -4.095 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.175 -3.516 -5.233 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.904 -2.748 -3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.784 -3.589 -2.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.357 -1.251 -2.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.715 -2.190 -3.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.863 -1.376 -4.288 1.00 0.00 H new ATOM 82 N PRO A 7 7.037 -2.551 -4.671 1.00 0.00 N ATOM 83 CA PRO A 7 6.306 -1.460 -4.072 1.00 0.00 C ATOM 84 C PRO A 7 7.088 -0.152 -4.077 1.00 0.00 C ATOM 85 O PRO A 7 8.224 -0.094 -4.549 1.00 0.00 O ATOM 86 CB PRO A 7 6.035 -1.929 -2.637 1.00 0.00 C ATOM 87 CG PRO A 7 7.005 -3.036 -2.402 1.00 0.00 C ATOM 88 CD PRO A 7 7.224 -3.673 -3.736 1.00 0.00 C ATOM 0 HA PRO A 7 5.396 -1.241 -4.630 1.00 0.00 H new ATOM 0 HB2 PRO A 7 6.181 -1.118 -1.923 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.007 -2.274 -2.522 1.00 0.00 H new ATOM 0 HG2 PRO A 7 7.941 -2.656 -1.991 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.611 -3.756 -1.685 1.00 0.00 H new ATOM 0 HD2 PRO A 7 8.221 -4.106 -3.818 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.512 -4.477 -3.922 1.00 0.00 H new ATOM 96 N GLY A 8 6.459 0.901 -3.570 1.00 0.00 N ATOM 97 CA GLY A 8 7.091 2.205 -3.544 1.00 0.00 C ATOM 98 C GLY A 8 6.635 3.048 -4.713 1.00 0.00 C ATOM 99 O GLY A 8 7.334 3.964 -5.147 1.00 0.00 O ATOM 0 H GLY A 8 5.519 0.874 -3.175 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.851 2.712 -2.609 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.174 2.089 -3.574 1.00 0.00 H new ATOM 103 N ASP A 9 5.458 2.710 -5.236 1.00 0.00 N ATOM 104 CA ASP A 9 4.880 3.388 -6.374 1.00 0.00 C ATOM 105 C ASP A 9 3.650 2.622 -6.782 1.00 0.00 C ATOM 106 O ASP A 9 2.916 2.111 -5.936 1.00 0.00 O ATOM 107 CB ASP A 9 5.884 3.441 -7.516 1.00 0.00 C ATOM 108 CG ASP A 9 5.966 4.812 -8.157 1.00 0.00 C ATOM 109 OD1 ASP A 9 5.031 5.178 -8.899 1.00 0.00 O ATOM 110 OD2 ASP A 9 6.965 5.522 -7.915 1.00 0.00 O ATOM 0 H ASP A 9 4.881 1.951 -4.873 1.00 0.00 H new ATOM 0 HA ASP A 9 4.616 4.414 -6.119 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.869 3.159 -7.143 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.608 2.706 -8.272 1.00 0.00 H new ATOM 115 N ILE A 10 3.435 2.519 -8.060 1.00 0.00 N ATOM 116 CA ILE A 10 2.299 1.785 -8.537 1.00 0.00 C ATOM 117 C ILE A 10 2.620 0.289 -8.500 1.00 0.00 C ATOM 118 O ILE A 10 3.311 -0.258 -9.359 1.00 0.00 O ATOM 119 CB ILE A 10 1.927 2.264 -9.963 1.00 0.00 C ATOM 120 CG1 ILE A 10 0.446 2.644 -10.021 1.00 0.00 C ATOM 121 CG2 ILE A 10 2.257 1.234 -11.037 1.00 0.00 C ATOM 122 CD1 ILE A 10 -0.476 1.574 -9.469 1.00 0.00 C ATOM 0 H ILE A 10 4.024 2.929 -8.785 1.00 0.00 H new ATOM 0 HA ILE A 10 1.434 1.963 -7.897 1.00 0.00 H new ATOM 0 HB ILE A 10 2.537 3.142 -10.175 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.294 3.567 -9.462 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.172 2.850 -11.056 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.975 1.625 -12.015 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.327 1.025 -11.025 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.706 0.314 -10.841 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.510 1.912 -9.542 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.353 0.656 -10.043 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.229 1.385 -8.424 1.00 0.00 H new ATOM 134 N PHE A 11 2.105 -0.354 -7.461 1.00 0.00 N ATOM 135 CA PHE A 11 2.295 -1.781 -7.241 1.00 0.00 C ATOM 136 C PHE A 11 0.944 -2.492 -7.241 1.00 0.00 C ATOM 137 O PHE A 11 -0.034 -1.933 -6.769 1.00 0.00 O ATOM 138 CB PHE A 11 3.063 -2.001 -5.929 1.00 0.00 C ATOM 139 CG PHE A 11 2.874 -3.349 -5.320 1.00 0.00 C ATOM 140 CD1 PHE A 11 3.282 -4.486 -5.993 1.00 0.00 C ATOM 141 CD2 PHE A 11 2.297 -3.474 -4.072 1.00 0.00 C ATOM 142 CE1 PHE A 11 3.115 -5.728 -5.427 1.00 0.00 C ATOM 143 CE2 PHE A 11 2.127 -4.713 -3.503 1.00 0.00 C ATOM 144 CZ PHE A 11 2.535 -5.840 -4.181 1.00 0.00 C ATOM 0 H PHE A 11 1.541 0.102 -6.744 1.00 0.00 H new ATOM 0 HA PHE A 11 2.888 -2.208 -8.050 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.126 -1.846 -6.115 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.751 -1.244 -5.209 1.00 0.00 H new ATOM 0 HD1 PHE A 11 3.735 -4.398 -6.970 1.00 0.00 H new ATOM 0 HD2 PHE A 11 1.977 -2.591 -3.539 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.437 -6.613 -5.956 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.675 -4.803 -2.526 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.400 -6.815 -3.736 1.00 0.00 H new ATOM 154 N GLU A 12 0.881 -3.722 -7.738 1.00 0.00 N ATOM 155 CA GLU A 12 -0.371 -4.454 -7.748 1.00 0.00 C ATOM 156 C GLU A 12 -0.285 -5.678 -6.841 1.00 0.00 C ATOM 157 O GLU A 12 0.803 -6.223 -6.661 1.00 0.00 O ATOM 158 CB GLU A 12 -0.787 -4.830 -9.178 1.00 0.00 C ATOM 159 CG GLU A 12 -0.871 -6.327 -9.442 1.00 0.00 C ATOM 160 CD GLU A 12 -0.990 -6.653 -10.918 1.00 0.00 C ATOM 161 OE1 GLU A 12 -0.524 -5.841 -11.744 1.00 0.00 O ATOM 162 OE2 GLU A 12 -1.549 -7.721 -11.247 1.00 0.00 O ATOM 0 H GLU A 12 1.675 -4.225 -8.134 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.150 -3.803 -7.352 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.758 -4.382 -9.389 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.075 -4.391 -9.877 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.016 -6.814 -9.036 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.731 -6.738 -8.912 1.00 0.00 H new ATOM 169 N VAL A 13 -1.411 -6.131 -6.254 1.00 0.00 N ATOM 170 CA VAL A 13 -1.339 -7.278 -5.392 1.00 0.00 C ATOM 171 C VAL A 13 -2.276 -8.350 -5.894 1.00 0.00 C ATOM 172 O VAL A 13 -3.498 -8.210 -5.844 1.00 0.00 O ATOM 173 CB VAL A 13 -1.691 -6.883 -3.940 1.00 0.00 C ATOM 174 CG1 VAL A 13 -1.214 -5.468 -3.630 1.00 0.00 C ATOM 175 CG2 VAL A 13 -3.183 -7.001 -3.671 1.00 0.00 C ATOM 0 H VAL A 13 -2.339 -5.723 -6.368 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.321 -7.668 -5.400 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.173 -7.582 -3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.474 -5.213 -2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.133 -5.413 -3.755 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.694 -4.765 -4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.391 -6.715 -2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.728 -6.342 -4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.502 -8.031 -3.833 1.00 0.00 H new ATOM 185 N GLU A 14 -1.699 -9.413 -6.410 1.00 0.00 N ATOM 186 CA GLU A 14 -2.483 -10.481 -6.941 1.00 0.00 C ATOM 187 C GLU A 14 -2.302 -11.802 -6.191 1.00 0.00 C ATOM 188 O GLU A 14 -1.187 -12.303 -6.063 1.00 0.00 O ATOM 189 CB GLU A 14 -2.108 -10.711 -8.369 1.00 0.00 C ATOM 190 CG GLU A 14 -0.715 -11.286 -8.551 1.00 0.00 C ATOM 191 CD GLU A 14 -0.237 -11.219 -9.988 1.00 0.00 C ATOM 192 OE1 GLU A 14 -0.848 -11.886 -10.849 1.00 0.00 O ATOM 193 OE2 GLU A 14 0.750 -10.501 -10.252 1.00 0.00 O ATOM 0 H GLU A 14 -0.690 -9.551 -6.468 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.524 -10.176 -6.835 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.833 -11.389 -8.821 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.175 -9.767 -8.909 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.016 -10.743 -7.914 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.709 -12.324 -8.218 1.00 0.00 H new ATOM 200 N LEU A 15 -3.411 -12.384 -5.803 1.00 0.00 N ATOM 201 CA LEU A 15 -3.464 -13.696 -5.156 1.00 0.00 C ATOM 202 C LEU A 15 -4.712 -14.431 -5.606 1.00 0.00 C ATOM 203 O LEU A 15 -5.741 -13.814 -5.873 1.00 0.00 O ATOM 204 CB LEU A 15 -3.442 -13.604 -3.625 1.00 0.00 C ATOM 205 CG LEU A 15 -2.158 -14.144 -3.002 1.00 0.00 C ATOM 206 CD1 LEU A 15 -2.137 -15.665 -3.047 1.00 0.00 C ATOM 207 CD2 LEU A 15 -0.976 -13.562 -3.748 1.00 0.00 C ATOM 0 H LEU A 15 -4.330 -11.958 -5.926 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.570 -14.242 -5.456 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.570 -12.563 -3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.292 -14.156 -3.223 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.105 -13.850 -1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.213 -16.030 -2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.989 -16.057 -2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.193 -15.999 -4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.050 -13.939 -3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.029 -13.852 -4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.996 -12.475 -3.671 1.00 0.00 H new ATOM 219 N ALA A 16 -4.626 -15.748 -5.673 1.00 0.00 N ATOM 220 CA ALA A 16 -5.750 -16.558 -6.070 1.00 0.00 C ATOM 221 C ALA A 16 -6.260 -17.288 -4.856 1.00 0.00 C ATOM 222 O ALA A 16 -5.495 -18.006 -4.217 1.00 0.00 O ATOM 223 CB ALA A 16 -5.323 -17.532 -7.150 1.00 0.00 C ATOM 0 H ALA A 16 -3.781 -16.276 -5.455 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.546 -15.935 -6.477 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.176 -18.142 -7.447 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.954 -16.979 -8.014 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.532 -18.176 -6.767 1.00 0.00 H new ATOM 229 N LYS A 17 -7.530 -17.088 -4.509 1.00 0.00 N ATOM 230 CA LYS A 17 -8.072 -17.745 -3.319 1.00 0.00 C ATOM 231 C LYS A 17 -7.575 -19.178 -3.232 1.00 0.00 C ATOM 232 O LYS A 17 -8.171 -20.098 -3.793 1.00 0.00 O ATOM 233 CB LYS A 17 -9.593 -17.734 -3.279 1.00 0.00 C ATOM 234 CG LYS A 17 -10.137 -18.514 -2.096 1.00 0.00 C ATOM 235 CD LYS A 17 -10.953 -19.717 -2.543 1.00 0.00 C ATOM 236 CE LYS A 17 -11.852 -20.226 -1.427 1.00 0.00 C ATOM 237 NZ LYS A 17 -11.958 -21.712 -1.432 1.00 0.00 N ATOM 0 H LYS A 17 -8.187 -16.495 -5.016 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.717 -17.173 -2.462 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.947 -16.704 -3.228 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.983 -18.159 -4.204 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.310 -18.848 -1.469 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.758 -17.860 -1.484 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.561 -19.445 -3.406 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.282 -20.514 -2.864 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.461 -19.893 -0.466 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.846 -19.791 -1.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.579 -22.018 -0.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.355 -22.029 -2.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.013 -22.128 -1.304 1.00 0.00 H new ATOM 251 N ASN A 18 -6.465 -19.345 -2.540 1.00 0.00 N ATOM 252 CA ASN A 18 -5.856 -20.670 -2.392 1.00 0.00 C ATOM 253 C ASN A 18 -5.381 -20.924 -0.967 1.00 0.00 C ATOM 254 O ASN A 18 -5.808 -21.880 -0.321 1.00 0.00 O ATOM 255 CB ASN A 18 -4.683 -20.820 -3.362 1.00 0.00 C ATOM 256 CG ASN A 18 -4.537 -22.239 -3.876 1.00 0.00 C ATOM 257 OD1 ASN A 18 -3.894 -23.078 -3.245 1.00 0.00 O ATOM 258 ND2 ASN A 18 -5.135 -22.515 -5.029 1.00 0.00 N ATOM 0 H ASN A 18 -5.963 -18.591 -2.071 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.623 -21.409 -2.624 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.823 -20.144 -4.205 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.761 -20.520 -2.863 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.071 -23.453 -5.425 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.658 -21.789 -5.519 1.00 0.00 H new ATOM 265 N ASP A 19 -4.507 -20.056 -0.481 1.00 0.00 N ATOM 266 CA ASP A 19 -3.982 -20.171 0.873 1.00 0.00 C ATOM 267 C ASP A 19 -4.250 -18.882 1.602 1.00 0.00 C ATOM 268 O ASP A 19 -4.576 -18.857 2.787 1.00 0.00 O ATOM 269 CB ASP A 19 -2.483 -20.479 0.854 1.00 0.00 C ATOM 270 CG ASP A 19 -2.066 -21.387 1.994 1.00 0.00 C ATOM 271 OD1 ASP A 19 -2.166 -20.957 3.162 1.00 0.00 O ATOM 272 OD2 ASP A 19 -1.639 -22.528 1.718 1.00 0.00 O ATOM 0 H ASP A 19 -4.144 -19.260 -1.006 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.477 -20.995 1.387 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.223 -20.949 -0.095 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.922 -19.546 0.912 1.00 0.00 H new ATOM 277 N ASN A 20 -4.149 -17.822 0.836 1.00 0.00 N ATOM 278 CA ASN A 20 -4.410 -16.491 1.300 1.00 0.00 C ATOM 279 C ASN A 20 -4.565 -15.598 0.097 1.00 0.00 C ATOM 280 O ASN A 20 -4.027 -15.889 -0.972 1.00 0.00 O ATOM 281 CB ASN A 20 -3.297 -15.961 2.200 1.00 0.00 C ATOM 282 CG ASN A 20 -3.243 -16.669 3.540 1.00 0.00 C ATOM 283 OD1 ASN A 20 -2.377 -17.512 3.775 1.00 0.00 O ATOM 284 ND2 ASN A 20 -4.172 -16.329 4.427 1.00 0.00 N ATOM 0 H ASN A 20 -3.877 -17.867 -0.146 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.320 -16.504 1.900 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.339 -16.077 1.693 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.444 -14.893 2.363 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.186 -16.772 5.346 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.871 -15.625 4.189 1.00 0.00 H new ATOM 291 N SER A 21 -5.298 -14.524 0.254 1.00 0.00 N ATOM 292 CA SER A 21 -5.507 -13.619 -0.850 1.00 0.00 C ATOM 293 C SER A 21 -6.114 -12.341 -0.305 1.00 0.00 C ATOM 294 O SER A 21 -6.974 -11.711 -0.919 1.00 0.00 O ATOM 295 CB SER A 21 -6.413 -14.295 -1.892 1.00 0.00 C ATOM 296 OG SER A 21 -6.359 -13.616 -3.135 1.00 0.00 O ATOM 0 H SER A 21 -5.756 -14.256 1.125 1.00 0.00 H new ATOM 0 HA SER A 21 -4.569 -13.370 -1.346 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.105 -15.332 -2.027 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.440 -14.312 -1.528 1.00 0.00 H new ATOM 0 HG SER A 21 -7.231 -13.674 -3.578 1.00 0.00 H new ATOM 302 N LEU A 22 -5.654 -12.011 0.894 1.00 0.00 N ATOM 303 CA LEU A 22 -6.112 -10.862 1.645 1.00 0.00 C ATOM 304 C LEU A 22 -5.623 -11.007 3.072 1.00 0.00 C ATOM 305 O LEU A 22 -5.030 -12.017 3.420 1.00 0.00 O ATOM 306 CB LEU A 22 -7.617 -10.871 1.757 1.00 0.00 C ATOM 307 CG LEU A 22 -8.032 -11.515 3.077 1.00 0.00 C ATOM 308 CD1 LEU A 22 -8.923 -10.580 3.884 1.00 0.00 C ATOM 309 CD2 LEU A 22 -8.714 -12.855 2.843 1.00 0.00 C ATOM 0 H LEU A 22 -4.936 -12.550 1.378 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.752 -9.962 1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.001 -9.852 1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.050 -11.421 0.921 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.128 -11.699 3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.204 -11.063 4.820 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.382 -9.658 4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.821 -10.348 3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.999 -13.291 3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.605 -12.708 2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.028 -13.528 2.328 1.00 0.00 H new ATOM 321 N GLY A 23 -5.956 -10.038 3.911 1.00 0.00 N ATOM 322 CA GLY A 23 -5.606 -10.116 5.315 1.00 0.00 C ATOM 323 C GLY A 23 -5.325 -8.758 5.875 1.00 0.00 C ATOM 324 O GLY A 23 -4.437 -8.580 6.694 1.00 0.00 O ATOM 0 H GLY A 23 -6.465 -9.195 3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.420 -10.581 5.871 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.730 -10.753 5.440 1.00 0.00 H new ATOM 328 N ILE A 24 -6.076 -7.789 5.411 1.00 0.00 N ATOM 329 CA ILE A 24 -5.875 -6.427 5.853 1.00 0.00 C ATOM 330 C ILE A 24 -7.091 -5.861 6.553 1.00 0.00 C ATOM 331 O ILE A 24 -8.229 -6.216 6.247 1.00 0.00 O ATOM 332 CB ILE A 24 -5.496 -5.525 4.669 1.00 0.00 C ATOM 333 CG1 ILE A 24 -6.679 -5.378 3.707 1.00 0.00 C ATOM 334 CG2 ILE A 24 -4.285 -6.116 3.937 1.00 0.00 C ATOM 335 CD1 ILE A 24 -6.378 -4.505 2.509 1.00 0.00 C ATOM 0 H ILE A 24 -6.827 -7.914 4.732 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.058 -6.450 6.574 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.237 -4.536 5.046 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.980 -6.367 3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.527 -4.959 4.248 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.018 -5.474 3.097 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.442 -6.183 4.624 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.533 -7.111 3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.260 -4.446 1.871 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.106 -3.505 2.847 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.550 -4.935 1.945 1.00 0.00 H new ATOM 347 N SER A 25 -6.835 -4.950 7.477 1.00 0.00 N ATOM 348 CA SER A 25 -7.881 -4.297 8.202 1.00 0.00 C ATOM 349 C SER A 25 -8.085 -2.923 7.604 1.00 0.00 C ATOM 350 O SER A 25 -7.189 -2.082 7.648 1.00 0.00 O ATOM 351 CB SER A 25 -7.551 -4.207 9.693 1.00 0.00 C ATOM 352 OG SER A 25 -8.730 -4.068 10.468 1.00 0.00 O ATOM 0 H SER A 25 -5.895 -4.652 7.736 1.00 0.00 H new ATOM 0 HA SER A 25 -8.801 -4.876 8.120 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.011 -5.101 10.004 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.892 -3.358 9.872 1.00 0.00 H new ATOM 0 HG SER A 25 -8.493 -4.014 11.417 1.00 0.00 H new ATOM 358 N VAL A 26 -9.243 -2.707 7.005 1.00 0.00 N ATOM 359 CA VAL A 26 -9.513 -1.440 6.356 1.00 0.00 C ATOM 360 C VAL A 26 -10.357 -0.526 7.228 1.00 0.00 C ATOM 361 O VAL A 26 -11.035 -0.975 8.151 1.00 0.00 O ATOM 362 CB VAL A 26 -10.207 -1.643 4.997 1.00 0.00 C ATOM 363 CG1 VAL A 26 -11.571 -2.295 5.178 1.00 0.00 C ATOM 364 CG2 VAL A 26 -10.333 -0.321 4.260 1.00 0.00 C ATOM 0 H VAL A 26 -10.003 -3.386 6.955 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.547 -0.963 6.192 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.592 -2.312 4.395 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.043 -2.428 4.204 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.449 -3.266 5.658 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.199 -1.658 5.801 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.826 -0.484 3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.923 0.374 4.858 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.341 0.097 4.091 1.00 0.00 H new ATOM 374 N THR A 27 -10.267 0.772 6.946 1.00 0.00 N ATOM 375 CA THR A 27 -10.974 1.790 7.713 1.00 0.00 C ATOM 376 C THR A 27 -10.232 2.051 9.020 1.00 0.00 C ATOM 377 O THR A 27 -10.672 2.837 9.858 1.00 0.00 O ATOM 378 CB THR A 27 -12.420 1.370 8.001 1.00 0.00 C ATOM 379 OG1 THR A 27 -13.052 0.901 6.824 1.00 0.00 O ATOM 380 CG2 THR A 27 -13.266 2.491 8.563 1.00 0.00 C ATOM 0 H THR A 27 -9.704 1.145 6.182 1.00 0.00 H new ATOM 0 HA THR A 27 -11.006 2.705 7.121 1.00 0.00 H new ATOM 0 HB THR A 27 -12.348 0.580 8.749 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.973 0.637 7.030 1.00 0.00 H new ATOM 0 HG21 THR A 27 -14.278 2.128 8.744 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.832 2.840 9.500 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.299 3.315 7.850 1.00 0.00 H new ATOM 388 N VAL A 28 -9.096 1.373 9.176 1.00 0.00 N ATOM 389 CA VAL A 28 -8.267 1.503 10.356 1.00 0.00 C ATOM 390 C VAL A 28 -7.481 2.804 10.332 1.00 0.00 C ATOM 391 O VAL A 28 -7.332 3.464 11.360 1.00 0.00 O ATOM 392 CB VAL A 28 -7.294 0.322 10.442 1.00 0.00 C ATOM 393 CG1 VAL A 28 -8.062 -0.987 10.439 1.00 0.00 C ATOM 394 CG2 VAL A 28 -6.317 0.360 9.281 1.00 0.00 C ATOM 0 H VAL A 28 -8.731 0.720 8.483 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.920 1.508 11.229 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.732 0.398 11.373 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.362 -1.820 10.500 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.736 -1.016 11.295 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.641 -1.067 9.519 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.632 -0.484 9.354 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.866 0.301 8.341 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.751 1.291 9.312 1.00 0.00 H new ATOM 404 N LEU A 29 -6.998 3.192 9.150 1.00 0.00 N ATOM 405 CA LEU A 29 -6.268 4.423 9.014 1.00 0.00 C ATOM 406 C LEU A 29 -7.079 5.375 8.181 1.00 0.00 C ATOM 407 O LEU A 29 -6.779 6.563 8.066 1.00 0.00 O ATOM 408 CB LEU A 29 -4.903 4.183 8.372 1.00 0.00 C ATOM 409 CG LEU A 29 -4.072 3.055 8.989 1.00 0.00 C ATOM 410 CD1 LEU A 29 -2.598 3.248 8.669 1.00 0.00 C ATOM 411 CD2 LEU A 29 -4.278 2.989 10.497 1.00 0.00 C ATOM 0 H LEU A 29 -7.106 2.663 8.284 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.095 4.849 10.002 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.052 3.964 7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.327 5.107 8.428 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.407 2.112 8.556 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.020 2.438 9.114 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.457 3.243 7.588 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.259 4.201 9.075 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.677 2.180 10.911 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.974 3.934 10.947 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.331 2.806 10.713 1.00 0.00 H new ATOM 423 N PHE A 30 -8.115 4.816 7.595 1.00 0.00 N ATOM 424 CA PHE A 30 -9.006 5.553 6.752 1.00 0.00 C ATOM 425 C PHE A 30 -10.463 5.244 7.097 1.00 0.00 C ATOM 426 O PHE A 30 -10.740 4.551 8.074 1.00 0.00 O ATOM 427 CB PHE A 30 -8.692 5.206 5.309 1.00 0.00 C ATOM 428 CG PHE A 30 -8.824 6.276 4.444 1.00 0.00 C ATOM 429 CD1 PHE A 30 -7.834 7.166 4.441 1.00 0.00 C ATOM 430 CD2 PHE A 30 -9.848 6.351 3.586 1.00 0.00 C ATOM 431 CE1 PHE A 30 -7.842 8.157 3.594 1.00 0.00 C ATOM 432 CE2 PHE A 30 -9.883 7.342 2.704 1.00 0.00 C ATOM 433 CZ PHE A 30 -8.867 8.275 2.690 1.00 0.00 C ATOM 0 H PHE A 30 -8.357 3.830 7.696 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.866 6.623 6.906 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.673 4.824 5.249 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.353 4.403 4.984 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.020 7.067 5.144 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -10.637 5.614 3.611 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.043 8.884 3.604 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.701 7.417 2.003 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.878 9.087 1.978 1.00 0.00 H new ATOM 443 N ASP A 31 -11.390 5.772 6.304 1.00 0.00 N ATOM 444 CA ASP A 31 -12.813 5.551 6.541 1.00 0.00 C ATOM 445 C ASP A 31 -13.285 4.259 5.879 1.00 0.00 C ATOM 446 O ASP A 31 -14.252 3.640 6.323 1.00 0.00 O ATOM 447 CB ASP A 31 -13.628 6.734 6.018 1.00 0.00 C ATOM 448 CG ASP A 31 -14.757 7.119 6.955 1.00 0.00 C ATOM 449 OD1 ASP A 31 -15.538 6.225 7.340 1.00 0.00 O ATOM 450 OD2 ASP A 31 -14.858 8.314 7.303 1.00 0.00 O ATOM 0 H ASP A 31 -11.182 6.355 5.493 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.965 5.461 7.617 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.969 7.591 5.876 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.040 6.484 5.041 1.00 0.00 H new ATOM 455 N LYS A 32 -12.595 3.857 4.815 1.00 0.00 N ATOM 456 CA LYS A 32 -12.940 2.638 4.091 1.00 0.00 C ATOM 457 C LYS A 32 -11.877 2.308 3.048 1.00 0.00 C ATOM 458 O LYS A 32 -12.197 2.020 1.895 1.00 0.00 O ATOM 459 CB LYS A 32 -14.318 2.754 3.414 1.00 0.00 C ATOM 460 CG LYS A 32 -14.776 4.178 3.133 1.00 0.00 C ATOM 461 CD LYS A 32 -13.974 4.808 2.008 1.00 0.00 C ATOM 462 CE LYS A 32 -12.919 5.760 2.545 1.00 0.00 C ATOM 463 NZ LYS A 32 -13.182 7.170 2.144 1.00 0.00 N ATOM 0 H LYS A 32 -11.792 4.359 4.435 1.00 0.00 H new ATOM 0 HA LYS A 32 -12.985 1.830 4.821 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.292 2.204 2.473 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -15.060 2.268 4.047 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -15.834 4.176 2.870 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -14.673 4.780 4.036 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.495 4.026 1.419 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.645 5.346 1.338 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.890 5.692 3.632 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.938 5.457 2.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.358 7.544 1.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.019 7.205 1.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.352 7.746 2.993 1.00 0.00 H new ATOM 477 N GLY A 33 -10.607 2.349 3.453 1.00 0.00 N ATOM 478 CA GLY A 33 -9.534 2.049 2.520 1.00 0.00 C ATOM 479 C GLY A 33 -9.680 2.844 1.225 1.00 0.00 C ATOM 480 O GLY A 33 -9.389 4.041 1.187 1.00 0.00 O ATOM 0 H GLY A 33 -10.306 2.582 4.399 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.574 2.278 2.982 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.533 0.982 2.295 1.00 0.00 H new ATOM 484 N GLY A 34 -10.141 2.166 0.166 1.00 0.00 N ATOM 485 CA GLY A 34 -10.321 2.803 -1.136 1.00 0.00 C ATOM 486 C GLY A 34 -11.251 4.001 -1.101 1.00 0.00 C ATOM 487 O GLY A 34 -11.965 4.202 -0.121 1.00 0.00 O ATOM 0 H GLY A 34 -10.394 1.178 0.190 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.349 3.119 -1.514 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.714 2.069 -1.839 1.00 0.00 H new ATOM 491 N VAL A 35 -11.212 4.814 -2.170 1.00 0.00 N ATOM 492 CA VAL A 35 -12.013 6.023 -2.282 1.00 0.00 C ATOM 493 C VAL A 35 -11.324 6.902 -3.308 1.00 0.00 C ATOM 494 O VAL A 35 -10.524 6.408 -4.091 1.00 0.00 O ATOM 495 CB VAL A 35 -12.078 6.743 -0.918 1.00 0.00 C ATOM 496 CG1 VAL A 35 -10.670 7.032 -0.408 1.00 0.00 C ATOM 497 CG2 VAL A 35 -12.974 7.982 -0.934 1.00 0.00 C ATOM 0 H VAL A 35 -10.617 4.641 -2.980 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.035 5.795 -2.584 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.558 6.068 -0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.729 7.540 0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.126 6.095 -0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.148 7.668 -1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.977 8.442 0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.595 8.696 -1.665 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.990 7.693 -1.202 1.00 0.00 H new ATOM 507 N ASN A 36 -11.553 8.192 -3.255 1.00 0.00 N ATOM 508 CA ASN A 36 -10.877 9.114 -4.112 1.00 0.00 C ATOM 509 C ASN A 36 -10.698 10.325 -3.244 1.00 0.00 C ATOM 510 O ASN A 36 -10.671 11.467 -3.698 1.00 0.00 O ATOM 511 CB ASN A 36 -11.689 9.432 -5.371 1.00 0.00 C ATOM 512 CG ASN A 36 -11.194 10.660 -6.112 1.00 0.00 C ATOM 513 OD1 ASN A 36 -11.713 11.761 -5.928 1.00 0.00 O ATOM 514 ND2 ASN A 36 -10.187 10.474 -6.956 1.00 0.00 N ATOM 0 H ASN A 36 -12.216 8.625 -2.612 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.934 8.720 -4.492 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -11.656 8.574 -6.042 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -12.733 9.580 -5.094 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.812 11.262 -7.484 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -9.788 9.543 -7.076 1.00 0.00 H new ATOM 521 N THR A 37 -10.681 10.010 -1.943 1.00 0.00 N ATOM 522 CA THR A 37 -10.622 10.976 -0.886 1.00 0.00 C ATOM 523 C THR A 37 -10.265 12.392 -1.355 1.00 0.00 C ATOM 524 O THR A 37 -10.970 13.349 -1.038 1.00 0.00 O ATOM 525 CB THR A 37 -9.658 10.522 0.207 1.00 0.00 C ATOM 526 OG1 THR A 37 -9.353 11.592 1.085 1.00 0.00 O ATOM 527 CG2 THR A 37 -8.352 9.979 -0.330 1.00 0.00 C ATOM 0 H THR A 37 -10.709 9.047 -1.608 1.00 0.00 H new ATOM 0 HA THR A 37 -11.633 11.035 -0.484 1.00 0.00 H new ATOM 0 HB THR A 37 -10.176 9.718 0.730 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.735 11.280 1.779 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.715 9.675 0.501 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.551 9.118 -0.968 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.848 10.752 -0.910 1.00 0.00 H new ATOM 535 N SER A 38 -9.166 12.525 -2.096 1.00 0.00 N ATOM 536 CA SER A 38 -8.738 13.838 -2.577 1.00 0.00 C ATOM 537 C SER A 38 -7.675 13.729 -3.666 1.00 0.00 C ATOM 538 O SER A 38 -6.763 14.553 -3.742 1.00 0.00 O ATOM 539 CB SER A 38 -8.189 14.656 -1.415 1.00 0.00 C ATOM 540 OG SER A 38 -8.788 15.939 -1.362 1.00 0.00 O ATOM 0 H SER A 38 -8.563 11.751 -2.374 1.00 0.00 H new ATOM 0 HA SER A 38 -9.610 14.331 -3.008 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.370 14.129 -0.478 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.109 14.760 -1.519 1.00 0.00 H new ATOM 0 HG SER A 38 -8.419 16.442 -0.606 1.00 0.00 H new ATOM 546 N VAL A 39 -7.802 12.721 -4.508 1.00 0.00 N ATOM 547 CA VAL A 39 -6.864 12.509 -5.596 1.00 0.00 C ATOM 548 C VAL A 39 -7.625 12.212 -6.892 1.00 0.00 C ATOM 549 O VAL A 39 -8.771 12.635 -7.043 1.00 0.00 O ATOM 550 CB VAL A 39 -5.865 11.380 -5.244 1.00 0.00 C ATOM 551 CG1 VAL A 39 -6.515 10.009 -5.343 1.00 0.00 C ATOM 552 CG2 VAL A 39 -4.613 11.466 -6.107 1.00 0.00 C ATOM 0 H VAL A 39 -8.551 12.031 -4.459 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.282 13.418 -5.749 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.562 11.520 -4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.785 9.241 -5.089 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.355 9.954 -4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.872 9.848 -6.360 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.929 10.661 -5.838 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.888 11.372 -7.158 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.124 12.427 -5.944 1.00 0.00 H new ATOM 562 N ARG A 40 -7.001 11.511 -7.831 1.00 0.00 N ATOM 563 CA ARG A 40 -7.651 11.207 -9.100 1.00 0.00 C ATOM 564 C ARG A 40 -7.515 9.733 -9.482 1.00 0.00 C ATOM 565 O ARG A 40 -8.007 9.306 -10.526 1.00 0.00 O ATOM 566 CB ARG A 40 -7.056 12.087 -10.191 1.00 0.00 C ATOM 567 CG ARG A 40 -7.686 11.882 -11.559 1.00 0.00 C ATOM 568 CD ARG A 40 -7.292 12.988 -12.525 1.00 0.00 C ATOM 569 NE ARG A 40 -7.438 14.314 -11.929 1.00 0.00 N ATOM 570 CZ ARG A 40 -8.612 14.895 -11.689 1.00 0.00 C ATOM 571 NH1 ARG A 40 -9.742 14.270 -11.992 1.00 0.00 N ATOM 572 NH2 ARG A 40 -8.654 16.103 -11.143 1.00 0.00 N ATOM 0 H ARG A 40 -6.053 11.145 -7.739 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.716 11.412 -8.990 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.169 13.132 -9.903 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.986 11.889 -10.261 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.377 10.918 -11.962 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.771 11.853 -11.460 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.258 12.844 -12.839 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.909 12.923 -13.421 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.590 14.825 -11.682 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.714 13.340 -12.411 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.639 14.719 -11.806 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.787 16.586 -10.907 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.553 16.549 -10.959 1.00 0.00 H new ATOM 586 N HIS A 41 -6.850 8.959 -8.633 1.00 0.00 N ATOM 587 CA HIS A 41 -6.652 7.533 -8.882 1.00 0.00 C ATOM 588 C HIS A 41 -7.456 6.694 -7.909 1.00 0.00 C ATOM 589 O HIS A 41 -7.749 5.525 -8.160 1.00 0.00 O ATOM 590 CB HIS A 41 -5.185 7.176 -8.715 1.00 0.00 C ATOM 591 CG HIS A 41 -4.276 8.155 -9.382 1.00 0.00 C ATOM 592 ND1 HIS A 41 -4.120 8.203 -10.748 1.00 0.00 N ATOM 593 CD2 HIS A 41 -3.504 9.146 -8.879 1.00 0.00 C ATOM 594 CE1 HIS A 41 -3.294 9.179 -11.059 1.00 0.00 C ATOM 595 NE2 HIS A 41 -2.902 9.768 -9.946 1.00 0.00 N ATOM 0 H HIS A 41 -6.437 9.295 -7.763 1.00 0.00 H new ATOM 0 HA HIS A 41 -6.983 7.326 -9.900 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -4.945 7.129 -7.653 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.008 6.182 -9.127 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -3.384 9.400 -7.836 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -2.988 9.452 -12.058 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -2.257 10.556 -9.887 1.00 0.00 H new ATOM 604 N GLY A 42 -7.772 7.298 -6.779 1.00 0.00 N ATOM 605 CA GLY A 42 -8.493 6.616 -5.744 1.00 0.00 C ATOM 606 C GLY A 42 -7.931 6.978 -4.397 1.00 0.00 C ATOM 607 O GLY A 42 -8.055 8.119 -3.956 1.00 0.00 O ATOM 0 H GLY A 42 -7.535 8.266 -6.563 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.549 6.883 -5.790 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.429 5.538 -5.895 1.00 0.00 H new ATOM 611 N GLY A 43 -7.250 6.037 -3.762 1.00 0.00 N ATOM 612 CA GLY A 43 -6.625 6.368 -2.488 1.00 0.00 C ATOM 613 C GLY A 43 -6.917 5.454 -1.302 1.00 0.00 C ATOM 614 O GLY A 43 -7.346 5.940 -0.258 1.00 0.00 O ATOM 0 H GLY A 43 -7.118 5.079 -4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.546 6.390 -2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.929 7.379 -2.217 1.00 0.00 H new ATOM 618 N ILE A 44 -6.666 4.152 -1.420 1.00 0.00 N ATOM 619 CA ILE A 44 -6.898 3.252 -0.275 1.00 0.00 C ATOM 620 C ILE A 44 -5.897 3.486 0.841 1.00 0.00 C ATOM 621 O ILE A 44 -4.687 3.398 0.650 1.00 0.00 O ATOM 622 CB ILE A 44 -6.849 1.745 -0.601 1.00 0.00 C ATOM 623 CG1 ILE A 44 -7.384 0.925 0.585 1.00 0.00 C ATOM 624 CG2 ILE A 44 -5.424 1.300 -0.944 1.00 0.00 C ATOM 625 CD1 ILE A 44 -6.923 -0.520 0.603 1.00 0.00 C ATOM 0 H ILE A 44 -6.313 3.700 -2.264 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.914 3.506 0.027 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.481 1.569 -1.472 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.073 1.405 1.513 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.474 0.946 0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.420 0.234 -1.169 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.068 1.855 -1.812 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.768 1.494 -0.095 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.345 -1.026 1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.257 -1.020 -0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.835 -0.554 0.657 1.00 0.00 H new ATOM 637 N TYR A 45 -6.431 3.711 2.019 1.00 0.00 N ATOM 638 CA TYR A 45 -5.613 3.891 3.212 1.00 0.00 C ATOM 639 C TYR A 45 -6.029 2.876 4.256 1.00 0.00 C ATOM 640 O TYR A 45 -7.218 2.653 4.473 1.00 0.00 O ATOM 641 CB TYR A 45 -5.686 5.300 3.742 1.00 0.00 C ATOM 642 CG TYR A 45 -5.079 6.341 2.858 1.00 0.00 C ATOM 643 CD1 TYR A 45 -5.818 6.907 1.841 1.00 0.00 C ATOM 644 CD2 TYR A 45 -3.786 6.782 3.062 1.00 0.00 C ATOM 645 CE1 TYR A 45 -5.285 7.882 1.039 1.00 0.00 C ATOM 646 CE2 TYR A 45 -3.241 7.763 2.268 1.00 0.00 C ATOM 647 CZ TYR A 45 -3.994 8.313 1.254 1.00 0.00 C ATOM 648 OH TYR A 45 -3.455 9.297 0.458 1.00 0.00 O ATOM 0 H TYR A 45 -7.435 3.775 2.185 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.568 3.724 2.949 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.732 5.554 3.912 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.189 5.333 4.711 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.833 6.577 1.674 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.195 6.350 3.856 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.874 8.311 0.242 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.229 8.100 2.438 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.645 9.652 0.880 1.00 0.00 H new ATOM 658 N VAL A 46 -5.056 2.165 4.810 1.00 0.00 N ATOM 659 CA VAL A 46 -5.370 1.081 5.694 1.00 0.00 C ATOM 660 C VAL A 46 -4.267 0.723 6.701 1.00 0.00 C ATOM 661 O VAL A 46 -3.247 1.404 6.781 1.00 0.00 O ATOM 662 CB VAL A 46 -5.590 -0.075 4.736 1.00 0.00 C ATOM 663 CG1 VAL A 46 -4.302 -0.758 4.385 1.00 0.00 C ATOM 664 CG2 VAL A 46 -6.645 -1.011 5.262 1.00 0.00 C ATOM 0 H VAL A 46 -4.060 2.326 4.658 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.219 1.337 6.328 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.972 0.322 3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.502 -1.580 3.697 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.629 -0.044 3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.838 -1.148 5.291 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.786 -1.832 4.559 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.330 -1.409 6.227 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.584 -0.470 5.382 1.00 0.00 H new ATOM 674 N LYS A 47 -4.453 -0.409 7.410 1.00 0.00 N ATOM 675 CA LYS A 47 -3.423 -0.904 8.343 1.00 0.00 C ATOM 676 C LYS A 47 -2.531 -1.810 7.529 1.00 0.00 C ATOM 677 O LYS A 47 -1.382 -2.095 7.866 1.00 0.00 O ATOM 678 CB LYS A 47 -4.006 -1.678 9.536 1.00 0.00 C ATOM 679 CG LYS A 47 -4.498 -3.078 9.194 1.00 0.00 C ATOM 680 CD LYS A 47 -4.569 -3.955 10.437 1.00 0.00 C ATOM 681 CE LYS A 47 -4.573 -5.433 10.079 1.00 0.00 C ATOM 682 NZ LYS A 47 -4.983 -6.282 11.231 1.00 0.00 N ATOM 0 H LYS A 47 -5.291 -0.988 7.356 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.888 -0.060 8.778 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.245 -1.753 10.313 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.834 -1.107 9.955 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.483 -3.017 8.732 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.830 -3.533 8.462 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.719 -3.739 11.085 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.470 -3.714 11.002 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.252 -5.602 9.243 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.578 -5.729 9.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.154 -7.254 10.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.228 -6.286 11.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.855 -5.900 11.651 1.00 0.00 H new ATOM 696 N ALA A 48 -3.115 -2.204 6.409 1.00 0.00 N ATOM 697 CA ALA A 48 -2.526 -3.003 5.414 1.00 0.00 C ATOM 698 C ALA A 48 -2.606 -4.483 5.743 1.00 0.00 C ATOM 699 O ALA A 48 -3.616 -4.945 6.258 1.00 0.00 O ATOM 700 CB ALA A 48 -1.159 -2.484 5.199 1.00 0.00 C ATOM 0 H ALA A 48 -4.075 -1.943 6.182 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.073 -2.936 4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.661 -3.077 4.431 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.211 -1.444 4.878 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.595 -2.548 6.129 1.00 0.00 H new ATOM 706 N VAL A 49 -1.590 -5.239 5.382 1.00 0.00 N ATOM 707 CA VAL A 49 -1.622 -6.662 5.548 1.00 0.00 C ATOM 708 C VAL A 49 -1.374 -7.210 6.930 1.00 0.00 C ATOM 709 O VAL A 49 -0.476 -6.805 7.666 1.00 0.00 O ATOM 710 CB VAL A 49 -0.630 -7.294 4.616 1.00 0.00 C ATOM 711 CG1 VAL A 49 -1.166 -7.229 3.216 1.00 0.00 C ATOM 712 CG2 VAL A 49 0.722 -6.633 4.740 1.00 0.00 C ATOM 0 H VAL A 49 -0.729 -4.880 4.969 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.659 -6.917 5.328 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.487 -8.341 4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.452 -7.686 2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.113 -7.766 3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.323 -6.188 2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.424 -7.109 4.055 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.634 -5.575 4.493 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.086 -6.738 5.762 1.00 0.00 H new ATOM 722 N ILE A 50 -2.210 -8.201 7.208 1.00 0.00 N ATOM 723 CA ILE A 50 -2.195 -8.967 8.438 1.00 0.00 C ATOM 724 C ILE A 50 -0.765 -9.264 8.878 1.00 0.00 C ATOM 725 O ILE A 50 0.167 -9.175 8.079 1.00 0.00 O ATOM 726 CB ILE A 50 -2.961 -10.303 8.213 1.00 0.00 C ATOM 727 CG1 ILE A 50 -3.814 -10.658 9.431 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.016 -11.439 7.860 1.00 0.00 C ATOM 729 CD1 ILE A 50 -5.195 -11.162 9.074 1.00 0.00 C ATOM 0 H ILE A 50 -2.939 -8.500 6.560 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.679 -8.384 9.222 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.628 -10.157 7.363 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.298 -11.419 10.017 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.910 -9.778 10.066 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.588 -12.355 7.711 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.478 -11.194 6.944 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.303 -11.585 8.672 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.744 -11.395 9.986 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.729 -10.394 8.514 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.108 -12.061 8.464 1.00 0.00 H new ATOM 741 N PRO A 51 -0.567 -9.629 10.151 1.00 0.00 N ATOM 742 CA PRO A 51 0.754 -9.945 10.675 1.00 0.00 C ATOM 743 C PRO A 51 1.206 -11.345 10.322 1.00 0.00 C ATOM 744 O PRO A 51 2.399 -11.645 10.264 1.00 0.00 O ATOM 745 CB PRO A 51 0.590 -9.812 12.196 1.00 0.00 C ATOM 746 CG PRO A 51 -0.833 -9.401 12.428 1.00 0.00 C ATOM 747 CD PRO A 51 -1.593 -9.762 11.184 1.00 0.00 C ATOM 0 HA PRO A 51 1.513 -9.286 10.254 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.809 -10.756 12.695 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.280 -9.071 12.599 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.247 -9.912 13.297 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.900 -8.331 12.626 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.996 -10.774 11.231 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.435 -9.092 11.011 1.00 0.00 H new ATOM 755 N GLN A 52 0.235 -12.186 10.115 1.00 0.00 N ATOM 756 CA GLN A 52 0.477 -13.588 9.788 1.00 0.00 C ATOM 757 C GLN A 52 0.510 -13.851 8.284 1.00 0.00 C ATOM 758 O GLN A 52 0.399 -14.997 7.849 1.00 0.00 O ATOM 759 CB GLN A 52 -0.564 -14.487 10.460 1.00 0.00 C ATOM 760 CG GLN A 52 -2.000 -14.150 10.094 1.00 0.00 C ATOM 761 CD GLN A 52 -2.497 -14.936 8.896 1.00 0.00 C ATOM 762 OE1 GLN A 52 -1.846 -15.877 8.443 1.00 0.00 O ATOM 763 NE2 GLN A 52 -3.657 -14.553 8.377 1.00 0.00 N ATOM 0 H GLN A 52 -0.752 -11.933 10.165 1.00 0.00 H new ATOM 0 HA GLN A 52 1.467 -13.829 10.175 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.364 -15.523 10.188 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.449 -14.414 11.541 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.646 -14.351 10.949 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.076 -13.084 9.881 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.163 -13.767 8.785 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.042 -15.045 7.570 1.00 0.00 H new ATOM 772 N GLY A 53 0.694 -12.801 7.497 1.00 0.00 N ATOM 773 CA GLY A 53 0.772 -12.973 6.055 1.00 0.00 C ATOM 774 C GLY A 53 -0.501 -12.587 5.325 1.00 0.00 C ATOM 775 O GLY A 53 -0.733 -11.415 5.045 1.00 0.00 O ATOM 0 H GLY A 53 0.790 -11.840 7.824 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.597 -12.373 5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.005 -14.015 5.834 1.00 0.00 H new ATOM 779 N ALA A 54 -1.332 -13.578 5.029 1.00 0.00 N ATOM 780 CA ALA A 54 -2.592 -13.363 4.339 1.00 0.00 C ATOM 781 C ALA A 54 -2.474 -12.325 3.204 1.00 0.00 C ATOM 782 O ALA A 54 -1.816 -12.599 2.202 1.00 0.00 O ATOM 783 CB ALA A 54 -3.640 -13.018 5.362 1.00 0.00 C ATOM 0 H ALA A 54 -1.149 -14.554 5.262 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.892 -14.279 3.830 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.595 -12.853 4.863 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.739 -13.839 6.072 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.346 -12.112 5.893 1.00 0.00 H new ATOM 789 N ALA A 55 -3.091 -11.135 3.338 1.00 0.00 N ATOM 790 CA ALA A 55 -2.994 -10.120 2.291 1.00 0.00 C ATOM 791 C ALA A 55 -1.538 -9.873 1.990 1.00 0.00 C ATOM 792 O ALA A 55 -1.134 -9.642 0.857 1.00 0.00 O ATOM 793 CB ALA A 55 -3.685 -8.834 2.701 1.00 0.00 C ATOM 0 H ALA A 55 -3.650 -10.864 4.147 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.499 -10.481 1.395 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.594 -8.101 1.900 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.739 -9.033 2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.219 -8.443 3.605 1.00 0.00 H new ATOM 799 N GLU A 56 -0.768 -9.945 3.050 1.00 0.00 N ATOM 800 CA GLU A 56 0.675 -9.758 2.986 1.00 0.00 C ATOM 801 C GLU A 56 1.263 -10.758 1.990 1.00 0.00 C ATOM 802 O GLU A 56 2.227 -10.468 1.281 1.00 0.00 O ATOM 803 CB GLU A 56 1.270 -9.936 4.381 1.00 0.00 C ATOM 804 CG GLU A 56 2.627 -9.272 4.562 1.00 0.00 C ATOM 805 CD GLU A 56 3.711 -10.255 4.958 1.00 0.00 C ATOM 806 OE1 GLU A 56 3.869 -11.277 4.258 1.00 0.00 O ATOM 807 OE2 GLU A 56 4.400 -10.003 5.968 1.00 0.00 O ATOM 0 H GLU A 56 -1.120 -10.135 3.988 1.00 0.00 H new ATOM 0 HA GLU A 56 0.917 -8.752 2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.576 -9.528 5.116 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.367 -11.001 4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.912 -8.778 3.633 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.549 -8.497 5.324 1.00 0.00 H new ATOM 814 N SER A 57 0.607 -11.908 1.903 1.00 0.00 N ATOM 815 CA SER A 57 0.958 -12.957 0.957 1.00 0.00 C ATOM 816 C SER A 57 0.405 -12.518 -0.375 1.00 0.00 C ATOM 817 O SER A 57 1.080 -12.573 -1.402 1.00 0.00 O ATOM 818 CB SER A 57 0.364 -14.303 1.377 1.00 0.00 C ATOM 819 OG SER A 57 1.239 -15.370 1.055 1.00 0.00 O ATOM 0 H SER A 57 -0.192 -12.140 2.494 1.00 0.00 H new ATOM 0 HA SER A 57 2.038 -13.100 0.913 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.169 -14.299 2.449 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.594 -14.452 0.880 1.00 0.00 H new ATOM 0 HG SER A 57 0.837 -16.219 1.335 1.00 0.00 H new ATOM 825 N ASP A 58 -0.810 -11.965 -0.313 1.00 0.00 N ATOM 826 CA ASP A 58 -1.437 -11.379 -1.476 1.00 0.00 C ATOM 827 C ASP A 58 -0.516 -10.269 -1.937 1.00 0.00 C ATOM 828 O ASP A 58 -0.534 -9.854 -3.096 1.00 0.00 O ATOM 829 CB ASP A 58 -2.826 -10.832 -1.129 1.00 0.00 C ATOM 830 CG ASP A 58 -3.398 -9.943 -2.209 1.00 0.00 C ATOM 831 OD1 ASP A 58 -3.182 -10.240 -3.403 1.00 0.00 O ATOM 832 OD2 ASP A 58 -4.067 -8.947 -1.859 1.00 0.00 O ATOM 0 H ASP A 58 -1.371 -11.916 0.538 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.584 -12.120 -2.262 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.506 -11.666 -0.955 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.766 -10.270 -0.197 1.00 0.00 H new ATOM 837 N GLY A 59 0.291 -9.787 -0.985 1.00 0.00 N ATOM 838 CA GLY A 59 1.216 -8.718 -1.282 1.00 0.00 C ATOM 839 C GLY A 59 0.489 -7.420 -1.435 1.00 0.00 C ATOM 840 O GLY A 59 0.652 -6.731 -2.430 1.00 0.00 O ATOM 0 H GLY A 59 0.314 -10.122 -0.022 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.954 -8.636 -0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.761 -8.946 -2.198 1.00 0.00 H new ATOM 844 N ARG A 60 -0.307 -7.091 -0.428 1.00 0.00 N ATOM 845 CA ARG A 60 -1.082 -5.863 -0.424 1.00 0.00 C ATOM 846 C ARG A 60 -0.614 -5.013 0.730 1.00 0.00 C ATOM 847 O ARG A 60 -1.393 -4.611 1.593 1.00 0.00 O ATOM 848 CB ARG A 60 -2.575 -6.181 -0.294 1.00 0.00 C ATOM 849 CG ARG A 60 -3.481 -5.048 -0.748 1.00 0.00 C ATOM 850 CD ARG A 60 -4.032 -4.266 0.434 1.00 0.00 C ATOM 851 NE ARG A 60 -3.277 -3.040 0.679 1.00 0.00 N ATOM 852 CZ ARG A 60 -3.268 -1.996 -0.147 1.00 0.00 C ATOM 853 NH1 ARG A 60 -3.974 -2.025 -1.272 1.00 0.00 N ATOM 854 NH2 ARG A 60 -2.554 -0.920 0.152 1.00 0.00 N ATOM 0 H ARG A 60 -0.432 -7.666 0.405 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.938 -5.323 -1.360 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.800 -7.072 -0.880 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.798 -6.419 0.746 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.925 -4.376 -1.402 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.306 -5.453 -1.334 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.077 -4.017 0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.007 -4.892 1.326 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.724 -2.980 1.534 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.526 -2.850 -1.506 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.964 -1.222 -1.901 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.011 -0.892 1.015 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.547 -0.120 -0.481 1.00 0.00 H new ATOM 868 N ILE A 61 0.689 -4.805 0.763 1.00 0.00 N ATOM 869 CA ILE A 61 1.319 -4.100 1.791 1.00 0.00 C ATOM 870 C ILE A 61 1.371 -2.611 1.593 1.00 0.00 C ATOM 871 O ILE A 61 1.622 -2.109 0.499 1.00 0.00 O ATOM 872 CB ILE A 61 2.737 -4.591 1.949 1.00 0.00 C ATOM 873 CG1 ILE A 61 3.373 -5.046 0.623 1.00 0.00 C ATOM 874 CG2 ILE A 61 2.757 -5.717 2.953 1.00 0.00 C ATOM 875 CD1 ILE A 61 3.308 -4.016 -0.485 1.00 0.00 C ATOM 0 H ILE A 61 1.328 -5.142 0.043 1.00 0.00 H new ATOM 0 HA ILE A 61 0.712 -4.286 2.677 1.00 0.00 H new ATOM 0 HB ILE A 61 3.338 -3.752 2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.417 -5.303 0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.874 -5.955 0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.778 -6.079 3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.384 -5.356 3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.123 -6.531 2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.778 -4.417 -1.383 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.266 -3.775 -0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.833 -3.113 -0.173 1.00 0.00 H new ATOM 887 N HIS A 62 1.184 -1.944 2.713 1.00 0.00 N ATOM 888 CA HIS A 62 1.241 -0.507 2.833 1.00 0.00 C ATOM 889 C HIS A 62 0.016 0.000 3.567 1.00 0.00 C ATOM 890 O HIS A 62 -1.093 0.000 3.031 1.00 0.00 O ATOM 891 CB HIS A 62 1.388 0.228 1.501 1.00 0.00 C ATOM 892 CG HIS A 62 2.818 0.474 1.129 1.00 0.00 C ATOM 893 ND1 HIS A 62 3.376 1.734 1.082 1.00 0.00 N ATOM 894 CD2 HIS A 62 3.811 -0.386 0.804 1.00 0.00 C ATOM 895 CE1 HIS A 62 4.649 1.639 0.742 1.00 0.00 C ATOM 896 NE2 HIS A 62 4.937 0.363 0.568 1.00 0.00 N ATOM 0 H HIS A 62 0.980 -2.409 3.598 1.00 0.00 H new ATOM 0 HA HIS A 62 2.147 -0.290 3.400 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.908 -0.355 0.715 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.863 1.181 1.557 1.00 0.00 H new ATOM 0 HD1 HIS A 62 2.882 2.605 1.279 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.732 -1.461 0.742 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.336 2.464 0.626 1.00 0.00 H new ATOM 905 N LYS A 63 0.225 0.432 4.793 1.00 0.00 N ATOM 906 CA LYS A 63 -0.857 0.949 5.613 1.00 0.00 C ATOM 907 C LYS A 63 -1.096 2.403 5.279 1.00 0.00 C ATOM 908 O LYS A 63 -0.254 3.252 5.574 1.00 0.00 O ATOM 909 CB LYS A 63 -0.519 0.808 7.096 1.00 0.00 C ATOM 910 CG LYS A 63 0.876 1.299 7.455 1.00 0.00 C ATOM 911 CD LYS A 63 0.901 1.963 8.824 1.00 0.00 C ATOM 912 CE LYS A 63 1.417 3.391 8.744 1.00 0.00 C ATOM 913 NZ LYS A 63 0.599 4.226 7.823 1.00 0.00 N ATOM 0 H LYS A 63 1.138 0.436 5.248 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.760 0.374 5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.252 1.364 7.681 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.611 -0.240 7.382 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.572 0.460 7.444 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.219 2.007 6.700 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.103 1.962 9.248 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.533 1.384 9.498 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.411 3.836 9.739 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.453 3.384 8.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.227 4.788 7.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.003 3.611 7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.006 4.864 8.378 1.00 0.00 H new ATOM 927 N GLY A 64 -2.224 2.705 4.646 1.00 0.00 N ATOM 928 CA GLY A 64 -2.462 4.089 4.295 1.00 0.00 C ATOM 929 C GLY A 64 -1.675 4.483 3.075 1.00 0.00 C ATOM 930 O GLY A 64 -0.464 4.669 3.136 1.00 0.00 O ATOM 0 H GLY A 64 -2.952 2.043 4.378 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.525 4.243 4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.187 4.732 5.132 1.00 0.00 H new ATOM 934 N ASP A 65 -2.369 4.583 1.961 1.00 0.00 N ATOM 935 CA ASP A 65 -1.730 4.932 0.693 1.00 0.00 C ATOM 936 C ASP A 65 -2.773 5.248 -0.370 1.00 0.00 C ATOM 937 O ASP A 65 -3.953 5.378 -0.047 1.00 0.00 O ATOM 938 CB ASP A 65 -0.857 3.774 0.244 1.00 0.00 C ATOM 939 CG ASP A 65 0.608 4.151 0.142 1.00 0.00 C ATOM 940 OD1 ASP A 65 0.915 5.163 -0.521 1.00 0.00 O ATOM 941 OD2 ASP A 65 1.448 3.434 0.726 1.00 0.00 O ATOM 0 H ASP A 65 -3.375 4.429 1.899 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.117 5.822 0.835 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.967 2.948 0.946 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.204 3.417 -0.725 1.00 0.00 H new ATOM 946 N ARG A 66 -2.365 5.387 -1.641 1.00 0.00 N ATOM 947 CA ARG A 66 -3.362 5.690 -2.662 1.00 0.00 C ATOM 948 C ARG A 66 -3.329 4.796 -3.909 1.00 0.00 C ATOM 949 O ARG A 66 -2.458 4.909 -4.763 1.00 0.00 O ATOM 950 CB ARG A 66 -3.231 7.150 -3.092 1.00 0.00 C ATOM 951 CG ARG A 66 -3.054 8.114 -1.932 1.00 0.00 C ATOM 952 CD ARG A 66 -1.623 8.622 -1.840 1.00 0.00 C ATOM 953 NE ARG A 66 -1.216 9.334 -3.049 1.00 0.00 N ATOM 954 CZ ARG A 66 -1.624 10.563 -3.357 1.00 0.00 C ATOM 955 NH1 ARG A 66 -2.449 11.218 -2.551 1.00 0.00 N ATOM 956 NH2 ARG A 66 -1.205 11.138 -4.476 1.00 0.00 N ATOM 0 H ARG A 66 -1.403 5.299 -1.969 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.321 5.489 -2.184 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.380 7.246 -3.766 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.119 7.434 -3.657 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.733 8.958 -2.052 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.325 7.617 -1.000 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.528 9.285 -0.980 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.950 7.781 -1.670 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.583 8.862 -3.694 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.775 10.780 -1.689 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.758 12.160 -2.793 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.571 10.639 -5.100 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.517 12.080 -4.713 1.00 0.00 H new ATOM 970 N VAL A 67 -4.342 3.945 -3.999 1.00 0.00 N ATOM 971 CA VAL A 67 -4.584 3.045 -5.056 1.00 0.00 C ATOM 972 C VAL A 67 -5.187 3.624 -6.290 1.00 0.00 C ATOM 973 O VAL A 67 -6.114 4.434 -6.252 1.00 0.00 O ATOM 974 CB VAL A 67 -5.516 1.941 -4.624 1.00 0.00 C ATOM 975 CG1 VAL A 67 -4.677 0.778 -4.365 1.00 0.00 C ATOM 976 CG2 VAL A 67 -6.345 2.293 -3.429 1.00 0.00 C ATOM 0 H VAL A 67 -5.052 3.882 -3.269 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.581 2.697 -5.302 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.245 1.748 -5.411 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.301 -0.057 -4.047 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.142 0.505 -5.275 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.960 1.015 -3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.991 1.453 -3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.691 2.516 -2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.957 3.166 -3.655 1.00 0.00 H new ATOM 986 N LEU A 68 -4.706 3.101 -7.390 1.00 0.00 N ATOM 987 CA LEU A 68 -5.250 3.454 -8.665 1.00 0.00 C ATOM 988 C LEU A 68 -6.478 2.573 -8.883 1.00 0.00 C ATOM 989 O LEU A 68 -7.568 3.073 -9.160 1.00 0.00 O ATOM 990 CB LEU A 68 -4.202 3.284 -9.783 1.00 0.00 C ATOM 991 CG LEU A 68 -4.363 2.062 -10.696 1.00 0.00 C ATOM 992 CD1 LEU A 68 -5.546 2.242 -11.638 1.00 0.00 C ATOM 993 CD2 LEU A 68 -3.085 1.826 -11.490 1.00 0.00 C ATOM 0 H LEU A 68 -3.939 2.430 -7.422 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.538 4.505 -8.691 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.220 4.179 -10.405 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.216 3.236 -9.321 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.555 1.190 -10.071 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.640 1.363 -12.276 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.459 2.368 -11.056 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.387 3.124 -12.258 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.212 0.956 -12.134 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.870 2.702 -12.102 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.257 1.651 -10.803 1.00 0.00 H new ATOM 1005 N ALA A 69 -6.306 1.253 -8.704 1.00 0.00 N ATOM 1006 CA ALA A 69 -7.409 0.320 -8.827 1.00 0.00 C ATOM 1007 C ALA A 69 -7.378 -0.647 -7.669 1.00 0.00 C ATOM 1008 O ALA A 69 -6.305 -0.983 -7.196 1.00 0.00 O ATOM 1009 CB ALA A 69 -7.347 -0.421 -10.154 1.00 0.00 C ATOM 0 H ALA A 69 -5.411 0.821 -8.475 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.348 0.873 -8.804 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.185 -1.115 -10.223 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.401 0.295 -10.974 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.411 -0.975 -10.218 1.00 0.00 H new ATOM 1015 N VAL A 70 -8.529 -1.127 -7.251 1.00 0.00 N ATOM 1016 CA VAL A 70 -8.605 -2.100 -6.186 1.00 0.00 C ATOM 1017 C VAL A 70 -9.334 -3.331 -6.697 1.00 0.00 C ATOM 1018 O VAL A 70 -10.247 -3.226 -7.514 1.00 0.00 O ATOM 1019 CB VAL A 70 -9.291 -1.528 -4.950 1.00 0.00 C ATOM 1020 CG1 VAL A 70 -10.740 -1.291 -5.266 1.00 0.00 C ATOM 1021 CG2 VAL A 70 -9.119 -2.457 -3.758 1.00 0.00 C ATOM 0 H VAL A 70 -9.433 -0.855 -7.638 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.595 -2.375 -5.883 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.830 -0.578 -4.678 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.241 -0.882 -4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.821 -0.585 -6.093 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -11.210 -2.234 -5.546 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.616 -2.028 -2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.560 -3.427 -3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.057 -2.582 -3.544 1.00 0.00 H new ATOM 1031 N ASN A 71 -8.902 -4.496 -6.252 1.00 0.00 N ATOM 1032 CA ASN A 71 -9.482 -5.759 -6.705 1.00 0.00 C ATOM 1033 C ASN A 71 -9.554 -5.797 -8.228 1.00 0.00 C ATOM 1034 O ASN A 71 -10.253 -6.627 -8.810 1.00 0.00 O ATOM 1035 CB ASN A 71 -10.875 -5.929 -6.136 1.00 0.00 C ATOM 1036 CG ASN A 71 -11.570 -7.189 -6.616 1.00 0.00 C ATOM 1037 OD1 ASN A 71 -10.923 -8.181 -6.950 1.00 0.00 O ATOM 1038 ND2 ASN A 71 -12.898 -7.154 -6.654 1.00 0.00 N ATOM 0 H ASN A 71 -8.148 -4.600 -5.573 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.845 -6.571 -6.355 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.816 -5.947 -5.048 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.479 -5.063 -6.408 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.421 -7.971 -6.969 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -13.394 -6.310 -6.368 1.00 0.00 H new ATOM 1045 N GLY A 72 -8.840 -4.884 -8.871 1.00 0.00 N ATOM 1046 CA GLY A 72 -8.865 -4.833 -10.320 1.00 0.00 C ATOM 1047 C GLY A 72 -9.707 -3.687 -10.833 1.00 0.00 C ATOM 1048 O GLY A 72 -9.512 -3.221 -11.955 1.00 0.00 O ATOM 0 H GLY A 72 -8.249 -4.184 -8.422 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.847 -4.732 -10.697 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.257 -5.773 -10.709 1.00 0.00 H new ATOM 1052 N VAL A 73 -10.626 -3.205 -10.001 1.00 0.00 N ATOM 1053 CA VAL A 73 -11.460 -2.081 -10.385 1.00 0.00 C ATOM 1054 C VAL A 73 -10.727 -0.807 -10.038 1.00 0.00 C ATOM 1055 O VAL A 73 -10.070 -0.738 -9.014 1.00 0.00 O ATOM 1056 CB VAL A 73 -12.858 -2.079 -9.687 1.00 0.00 C ATOM 1057 CG1 VAL A 73 -13.621 -0.789 -9.981 1.00 0.00 C ATOM 1058 CG2 VAL A 73 -13.665 -3.294 -10.120 1.00 0.00 C ATOM 0 H VAL A 73 -10.808 -3.573 -9.067 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.648 -2.161 -11.456 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.700 -2.131 -8.610 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.590 -0.817 -9.482 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.049 0.064 -9.615 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.770 -0.691 -11.056 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.637 -3.280 -9.626 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.807 -3.271 -11.201 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -13.131 -4.203 -9.844 1.00 0.00 H new ATOM 1068 N SER A 74 -10.846 0.205 -10.865 1.00 0.00 N ATOM 1069 CA SER A 74 -10.178 1.456 -10.570 1.00 0.00 C ATOM 1070 C SER A 74 -11.022 2.162 -9.539 1.00 0.00 C ATOM 1071 O SER A 74 -12.171 2.506 -9.818 1.00 0.00 O ATOM 1072 CB SER A 74 -10.041 2.312 -11.831 1.00 0.00 C ATOM 1073 OG SER A 74 -8.969 3.231 -11.709 1.00 0.00 O ATOM 0 H SER A 74 -11.386 0.192 -11.730 1.00 0.00 H new ATOM 0 HA SER A 74 -9.169 1.278 -10.197 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.876 1.668 -12.695 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.970 2.854 -12.010 1.00 0.00 H new ATOM 0 HG SER A 74 -8.535 3.114 -10.838 1.00 0.00 H new ATOM 1079 N LEU A 75 -10.488 2.373 -8.332 1.00 0.00 N ATOM 1080 CA LEU A 75 -11.263 3.009 -7.340 1.00 0.00 C ATOM 1081 C LEU A 75 -10.930 4.455 -7.385 1.00 0.00 C ATOM 1082 O LEU A 75 -10.200 4.972 -6.555 1.00 0.00 O ATOM 1083 CB LEU A 75 -10.944 2.435 -5.969 1.00 0.00 C ATOM 1084 CG LEU A 75 -9.498 2.640 -5.540 1.00 0.00 C ATOM 1085 CD1 LEU A 75 -9.410 2.876 -4.039 1.00 0.00 C ATOM 1086 CD2 LEU A 75 -8.642 1.455 -5.950 1.00 0.00 C ATOM 0 H LEU A 75 -9.543 2.109 -8.052 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.326 2.852 -7.522 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.601 2.895 -5.231 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.165 1.368 -5.972 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.115 3.526 -6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.368 3.020 -3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.984 3.764 -3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.815 2.013 -3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.613 1.623 -5.633 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.024 0.550 -5.478 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.674 1.340 -7.033 1.00 0.00 H new ATOM 1098 N GLU A 76 -11.478 5.111 -8.358 1.00 0.00 N ATOM 1099 CA GLU A 76 -11.225 6.505 -8.504 1.00 0.00 C ATOM 1100 C GLU A 76 -12.297 7.273 -7.754 1.00 0.00 C ATOM 1101 O GLU A 76 -12.805 8.290 -8.228 1.00 0.00 O ATOM 1102 CB GLU A 76 -11.197 6.909 -9.978 1.00 0.00 C ATOM 1103 CG GLU A 76 -10.351 5.991 -10.846 1.00 0.00 C ATOM 1104 CD GLU A 76 -9.868 6.668 -12.113 1.00 0.00 C ATOM 1105 OE1 GLU A 76 -8.775 7.274 -12.084 1.00 0.00 O ATOM 1106 OE2 GLU A 76 -10.581 6.593 -13.136 1.00 0.00 O ATOM 0 H GLU A 76 -12.099 4.705 -9.058 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.245 6.741 -8.088 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.217 6.920 -10.362 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.815 7.926 -10.060 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.491 5.646 -10.272 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.933 5.108 -11.110 1.00 0.00 H new ATOM 1113 N GLY A 77 -12.670 6.739 -6.593 1.00 0.00 N ATOM 1114 CA GLY A 77 -13.710 7.328 -5.800 1.00 0.00 C ATOM 1115 C GLY A 77 -14.983 6.526 -5.932 1.00 0.00 C ATOM 1116 O GLY A 77 -16.062 6.969 -5.538 1.00 0.00 O ATOM 0 H GLY A 77 -12.257 5.897 -6.192 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.403 7.367 -4.755 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.884 8.355 -6.120 1.00 0.00 H new ATOM 1120 N ALA A 78 -14.838 5.328 -6.495 1.00 0.00 N ATOM 1121 CA ALA A 78 -15.952 4.427 -6.694 1.00 0.00 C ATOM 1122 C ALA A 78 -16.313 3.735 -5.402 1.00 0.00 C ATOM 1123 O ALA A 78 -17.475 3.769 -5.001 1.00 0.00 O ATOM 1124 CB ALA A 78 -15.621 3.406 -7.771 1.00 0.00 C ATOM 0 H ALA A 78 -13.944 4.963 -6.823 1.00 0.00 H new ATOM 0 HA ALA A 78 -16.813 5.010 -7.022 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.469 2.735 -7.909 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -15.409 3.921 -8.708 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -14.747 2.829 -7.469 1.00 0.00 H new ATOM 1130 N THR A 79 -15.331 3.093 -4.748 1.00 0.00 N ATOM 1131 CA THR A 79 -15.590 2.391 -3.520 1.00 0.00 C ATOM 1132 C THR A 79 -17.012 2.041 -3.391 1.00 0.00 C ATOM 1133 O THR A 79 -17.435 1.051 -3.971 1.00 0.00 O ATOM 1134 CB THR A 79 -15.121 3.160 -2.310 1.00 0.00 C ATOM 1135 OG1 THR A 79 -14.953 4.539 -2.584 1.00 0.00 O ATOM 1136 CG2 THR A 79 -13.847 2.605 -1.865 1.00 0.00 C ATOM 0 H THR A 79 -14.361 3.056 -5.062 1.00 0.00 H new ATOM 0 HA THR A 79 -15.012 1.468 -3.564 1.00 0.00 H new ATOM 0 HB THR A 79 -15.883 3.066 -1.537 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.967 5.043 -1.744 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.497 3.153 -0.990 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.978 1.554 -1.607 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.112 2.693 -2.666 1.00 0.00 H new ATOM 1144 N HIS A 80 -17.735 2.839 -2.617 1.00 0.00 N ATOM 1145 CA HIS A 80 -19.136 2.584 -2.395 1.00 0.00 C ATOM 1146 C HIS A 80 -19.431 1.138 -2.776 1.00 0.00 C ATOM 1147 O HIS A 80 -19.471 0.258 -1.919 1.00 0.00 O ATOM 1148 CB HIS A 80 -19.980 3.605 -3.169 1.00 0.00 C ATOM 1149 CG HIS A 80 -21.337 3.128 -3.542 1.00 0.00 C ATOM 1150 ND1 HIS A 80 -21.723 2.433 -4.612 1.00 0.00 N flip ATOM 1151 CD2 HIS A 80 -22.472 3.360 -2.796 1.00 0.00 C flip ATOM 1152 CE1 HIS A 80 -23.080 2.245 -4.519 1.00 0.00 C flip ATOM 1153 NE2 HIS A 80 -23.510 2.815 -3.407 1.00 0.00 N flip ATOM 0 H HIS A 80 -17.369 3.662 -2.138 1.00 0.00 H new ATOM 0 HA HIS A 80 -19.400 2.707 -1.345 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -20.079 4.507 -2.565 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -19.445 3.886 -4.076 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -22.508 3.901 -1.862 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -23.694 1.719 -5.235 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -24.475 2.832 -3.077 1.00 0.00 H new ATOM 1162 N LYS A 81 -19.585 0.884 -4.060 1.00 0.00 N ATOM 1163 CA LYS A 81 -19.791 -0.473 -4.525 1.00 0.00 C ATOM 1164 C LYS A 81 -18.489 -1.280 -4.718 1.00 0.00 C ATOM 1165 O LYS A 81 -18.277 -2.333 -4.120 1.00 0.00 O ATOM 1166 CB LYS A 81 -20.572 -0.454 -5.839 1.00 0.00 C ATOM 1167 CG LYS A 81 -20.976 -1.836 -6.327 1.00 0.00 C ATOM 1168 CD LYS A 81 -21.408 -1.808 -7.784 1.00 0.00 C ATOM 1169 CE LYS A 81 -20.285 -2.253 -8.707 1.00 0.00 C ATOM 1170 NZ LYS A 81 -20.805 -2.793 -9.994 1.00 0.00 N ATOM 0 H LYS A 81 -19.572 1.592 -4.794 1.00 0.00 H new ATOM 0 HA LYS A 81 -20.353 -0.978 -3.739 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -21.468 0.153 -5.711 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -19.966 0.030 -6.605 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.139 -2.524 -6.208 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -21.792 -2.216 -5.712 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -22.272 -2.458 -7.921 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -21.722 -0.799 -8.052 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -19.624 -1.410 -8.908 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -19.686 -3.016 -8.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -20.008 -3.085 -10.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -21.415 -3.614 -9.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -21.355 -2.058 -10.482 1.00 0.00 H new ATOM 1184 N GLN A 82 -17.653 -0.772 -5.634 1.00 0.00 N ATOM 1185 CA GLN A 82 -16.421 -1.455 -6.072 1.00 0.00 C ATOM 1186 C GLN A 82 -15.261 -1.530 -5.120 1.00 0.00 C ATOM 1187 O GLN A 82 -14.727 -2.612 -4.903 1.00 0.00 O ATOM 1188 CB GLN A 82 -15.874 -0.755 -7.327 1.00 0.00 C ATOM 1189 CG GLN A 82 -16.950 -0.336 -8.310 1.00 0.00 C ATOM 1190 CD GLN A 82 -16.386 0.306 -9.562 1.00 0.00 C ATOM 1191 OE1 GLN A 82 -15.610 1.258 -9.490 1.00 0.00 O ATOM 1192 NE2 GLN A 82 -16.776 -0.214 -10.720 1.00 0.00 N ATOM 0 H GLN A 82 -17.809 0.125 -6.094 1.00 0.00 H new ATOM 0 HA GLN A 82 -16.766 -2.480 -6.207 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -15.309 0.126 -7.023 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -15.176 -1.424 -7.830 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -17.540 -1.209 -8.589 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -17.628 0.364 -7.822 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -17.421 -1.004 -10.733 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -16.430 0.176 -11.597 1.00 0.00 H new ATOM 1201 N ALA A 83 -14.802 -0.403 -4.629 1.00 0.00 N ATOM 1202 CA ALA A 83 -13.601 -0.442 -3.790 1.00 0.00 C ATOM 1203 C ALA A 83 -13.836 -0.937 -2.406 1.00 0.00 C ATOM 1204 O ALA A 83 -13.132 -1.817 -1.912 1.00 0.00 O ATOM 1205 CB ALA A 83 -12.808 0.857 -3.830 1.00 0.00 C ATOM 0 H ALA A 83 -15.211 0.519 -4.779 1.00 0.00 H new ATOM 0 HA ALA A 83 -12.968 -1.201 -4.249 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.931 0.767 -3.190 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.491 1.059 -4.853 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.434 1.676 -3.476 1.00 0.00 H new ATOM 1211 N VAL A 84 -14.826 -0.406 -1.797 1.00 0.00 N ATOM 1212 CA VAL A 84 -15.151 -0.810 -0.463 1.00 0.00 C ATOM 1213 C VAL A 84 -15.541 -2.270 -0.460 1.00 0.00 C ATOM 1214 O VAL A 84 -15.165 -3.036 0.429 1.00 0.00 O ATOM 1215 CB VAL A 84 -16.278 0.043 0.142 1.00 0.00 C ATOM 1216 CG1 VAL A 84 -17.135 0.629 -0.949 1.00 0.00 C ATOM 1217 CG2 VAL A 84 -17.133 -0.777 1.090 1.00 0.00 C ATOM 0 H VAL A 84 -15.434 0.312 -2.192 1.00 0.00 H new ATOM 0 HA VAL A 84 -14.267 -0.661 0.158 1.00 0.00 H new ATOM 0 HB VAL A 84 -15.819 0.854 0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.928 1.230 -0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.522 1.257 -1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -17.576 -0.176 -1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -17.922 -0.149 1.504 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -17.579 -1.611 0.548 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -16.513 -1.161 1.900 1.00 0.00 H new ATOM 1227 N GLU A 85 -16.295 -2.647 -1.475 1.00 0.00 N ATOM 1228 CA GLU A 85 -16.734 -4.031 -1.594 1.00 0.00 C ATOM 1229 C GLU A 85 -15.564 -4.973 -1.729 1.00 0.00 C ATOM 1230 O GLU A 85 -15.612 -6.106 -1.249 1.00 0.00 O ATOM 1231 CB GLU A 85 -17.571 -4.234 -2.832 1.00 0.00 C ATOM 1232 CG GLU A 85 -18.523 -5.414 -2.742 1.00 0.00 C ATOM 1233 CD GLU A 85 -19.326 -5.613 -4.012 1.00 0.00 C ATOM 1234 OE1 GLU A 85 -18.831 -6.308 -4.925 1.00 0.00 O ATOM 1235 OE2 GLU A 85 -20.450 -5.073 -4.095 1.00 0.00 O ATOM 0 H GLU A 85 -16.614 -2.028 -2.220 1.00 0.00 H new ATOM 0 HA GLU A 85 -17.304 -4.239 -0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -18.147 -3.328 -3.022 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.910 -4.377 -3.687 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -17.954 -6.320 -2.530 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -19.205 -5.263 -1.905 1.00 0.00 H new ATOM 1242 N THR A 86 -14.535 -4.532 -2.436 1.00 0.00 N ATOM 1243 CA THR A 86 -13.408 -5.409 -2.669 1.00 0.00 C ATOM 1244 C THR A 86 -12.651 -5.691 -1.385 1.00 0.00 C ATOM 1245 O THR A 86 -12.217 -6.814 -1.149 1.00 0.00 O ATOM 1246 CB THR A 86 -12.442 -4.896 -3.743 1.00 0.00 C ATOM 1247 OG1 THR A 86 -11.108 -5.242 -3.404 1.00 0.00 O ATOM 1248 CG2 THR A 86 -12.472 -3.408 -3.977 1.00 0.00 C ATOM 0 H THR A 86 -14.460 -3.601 -2.846 1.00 0.00 H new ATOM 0 HA THR A 86 -13.838 -6.337 -3.046 1.00 0.00 H new ATOM 0 HB THR A 86 -12.781 -5.375 -4.661 1.00 0.00 H new ATOM 0 HG1 THR A 86 -10.764 -4.608 -2.740 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.754 -3.147 -4.754 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.472 -3.109 -4.292 1.00 0.00 H new ATOM 0 HG23 THR A 86 -12.212 -2.889 -3.054 1.00 0.00 H new ATOM 1256 N LEU A 87 -12.499 -4.676 -0.554 1.00 0.00 N ATOM 1257 CA LEU A 87 -11.796 -4.848 0.711 1.00 0.00 C ATOM 1258 C LEU A 87 -12.541 -5.865 1.557 1.00 0.00 C ATOM 1259 O LEU A 87 -11.941 -6.694 2.243 1.00 0.00 O ATOM 1260 CB LEU A 87 -11.685 -3.514 1.450 1.00 0.00 C ATOM 1261 CG LEU A 87 -11.259 -2.337 0.574 1.00 0.00 C ATOM 1262 CD1 LEU A 87 -11.719 -1.018 1.176 1.00 0.00 C ATOM 1263 CD2 LEU A 87 -9.750 -2.341 0.377 1.00 0.00 C ATOM 0 H LEU A 87 -12.847 -3.733 -0.726 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.785 -5.208 0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -12.649 -3.283 1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.968 -3.623 2.264 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.735 -2.446 -0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.404 -0.195 0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.806 -1.016 1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -11.278 -0.896 2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.463 -1.496 -0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.256 -2.259 1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.449 -3.270 -0.107 1.00 0.00 H new ATOM 1275 N ARG A 88 -13.860 -5.789 1.482 1.00 0.00 N ATOM 1276 CA ARG A 88 -14.735 -6.693 2.214 1.00 0.00 C ATOM 1277 C ARG A 88 -14.815 -8.056 1.569 1.00 0.00 C ATOM 1278 O ARG A 88 -15.032 -9.053 2.260 1.00 0.00 O ATOM 1279 CB ARG A 88 -16.136 -6.091 2.347 1.00 0.00 C ATOM 1280 CG ARG A 88 -16.880 -6.551 3.589 1.00 0.00 C ATOM 1281 CD ARG A 88 -18.371 -6.685 3.328 1.00 0.00 C ATOM 1282 NE ARG A 88 -19.169 -6.265 4.478 1.00 0.00 N ATOM 1283 CZ ARG A 88 -20.450 -6.585 4.648 1.00 0.00 C ATOM 1284 NH1 ARG A 88 -21.082 -7.327 3.745 1.00 0.00 N ATOM 1285 NH2 ARG A 88 -21.101 -6.162 5.722 1.00 0.00 N ATOM 0 H ARG A 88 -14.354 -5.101 0.914 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.303 -6.824 3.206 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -16.055 -5.004 2.364 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -16.721 -6.354 1.465 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -16.480 -7.509 3.920 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -16.714 -5.840 4.398 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -18.642 -6.084 2.460 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -18.604 -7.721 3.084 1.00 0.00 H new ATOM 0 HE ARG A 88 -18.718 -5.693 5.192 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -20.586 -7.655 2.916 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -22.064 -7.569 3.881 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -20.621 -5.592 6.418 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -22.083 -6.407 5.853 1.00 0.00 H new ATOM 1299 N ASN A 89 -14.685 -8.119 0.252 1.00 0.00 N ATOM 1300 CA ASN A 89 -14.801 -9.393 -0.412 1.00 0.00 C ATOM 1301 C ASN A 89 -13.468 -9.975 -0.858 1.00 0.00 C ATOM 1302 O ASN A 89 -13.396 -11.133 -1.267 1.00 0.00 O ATOM 1303 CB ASN A 89 -15.741 -9.265 -1.599 1.00 0.00 C ATOM 1304 CG ASN A 89 -17.064 -9.971 -1.375 1.00 0.00 C ATOM 1305 OD1 ASN A 89 -17.574 -10.021 -0.256 1.00 0.00 O ATOM 1306 ND2 ASN A 89 -17.628 -10.524 -2.443 1.00 0.00 N ATOM 0 H ASN A 89 -14.504 -7.322 -0.358 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.205 -10.092 0.321 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -15.926 -8.210 -1.799 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -15.259 -9.677 -2.485 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -18.518 -11.014 -2.354 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -17.171 -10.459 -3.352 1.00 0.00 H new ATOM 1313 N THR A 90 -12.433 -9.170 -0.780 1.00 0.00 N ATOM 1314 CA THR A 90 -11.086 -9.584 -1.169 1.00 0.00 C ATOM 1315 C THR A 90 -10.829 -11.035 -0.783 1.00 0.00 C ATOM 1316 O THR A 90 -11.460 -11.560 0.136 1.00 0.00 O ATOM 1317 CB THR A 90 -10.043 -8.681 -0.508 1.00 0.00 C ATOM 1318 OG1 THR A 90 -10.544 -8.142 0.704 1.00 0.00 O ATOM 1319 CG2 THR A 90 -9.614 -7.525 -1.381 1.00 0.00 C ATOM 0 H THR A 90 -12.492 -8.208 -0.446 1.00 0.00 H new ATOM 0 HA THR A 90 -11.005 -9.494 -2.252 1.00 0.00 H new ATOM 0 HB THR A 90 -9.178 -9.320 -0.329 1.00 0.00 H new ATOM 0 HG1 THR A 90 -9.863 -7.568 1.113 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.874 -6.925 -0.852 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.178 -7.908 -2.304 1.00 0.00 H new ATOM 0 HG23 THR A 90 -10.480 -6.907 -1.618 1.00 0.00 H new ATOM 1327 N GLY A 91 -9.903 -11.681 -1.477 1.00 0.00 N ATOM 1328 CA GLY A 91 -9.600 -13.065 -1.166 1.00 0.00 C ATOM 1329 C GLY A 91 -9.962 -14.030 -2.282 1.00 0.00 C ATOM 1330 O GLY A 91 -9.079 -14.683 -2.839 1.00 0.00 O ATOM 0 H GLY A 91 -9.361 -11.278 -2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.536 -13.156 -0.949 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.135 -13.351 -0.261 1.00 0.00 H new ATOM 1334 N GLN A 92 -11.259 -14.130 -2.618 1.00 0.00 N ATOM 1335 CA GLN A 92 -11.711 -15.034 -3.688 1.00 0.00 C ATOM 1336 C GLN A 92 -10.656 -15.104 -4.782 1.00 0.00 C ATOM 1337 O GLN A 92 -10.317 -16.173 -5.288 1.00 0.00 O ATOM 1338 CB GLN A 92 -13.047 -14.559 -4.268 1.00 0.00 C ATOM 1339 CG GLN A 92 -12.964 -13.245 -5.030 1.00 0.00 C ATOM 1340 CD GLN A 92 -12.690 -12.056 -4.131 1.00 0.00 C ATOM 1341 OE1 GLN A 92 -11.556 -11.828 -3.709 1.00 0.00 O ATOM 1342 NE2 GLN A 92 -13.732 -11.287 -3.836 1.00 0.00 N ATOM 0 H GLN A 92 -12.007 -13.601 -2.169 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.857 -16.029 -3.268 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.435 -15.329 -4.935 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.765 -14.450 -3.455 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.176 -13.315 -5.780 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -13.900 -13.081 -5.565 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.654 -11.513 -4.208 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -13.610 -10.470 -3.238 1.00 0.00 H new ATOM 1351 N VAL A 93 -10.124 -13.938 -5.094 1.00 0.00 N ATOM 1352 CA VAL A 93 -9.112 -13.745 -6.029 1.00 0.00 C ATOM 1353 C VAL A 93 -8.949 -12.262 -6.169 1.00 0.00 C ATOM 1354 O VAL A 93 -9.853 -11.564 -6.633 1.00 0.00 O ATOM 1355 CB VAL A 93 -9.386 -14.413 -7.347 1.00 0.00 C ATOM 1356 CG1 VAL A 93 -10.254 -13.565 -8.268 1.00 0.00 C ATOM 1357 CG2 VAL A 93 -8.038 -14.684 -7.905 1.00 0.00 C ATOM 0 H VAL A 93 -10.428 -13.068 -4.657 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.190 -14.213 -5.685 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.968 -15.327 -7.231 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.419 -14.098 -9.205 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -11.213 -13.371 -7.787 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.752 -12.619 -8.472 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.137 -15.174 -8.874 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.499 -13.744 -8.027 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.486 -15.333 -7.225 1.00 0.00 H new ATOM 1367 N VAL A 94 -7.852 -11.763 -5.662 1.00 0.00 N ATOM 1368 CA VAL A 94 -7.660 -10.365 -5.631 1.00 0.00 C ATOM 1369 C VAL A 94 -6.481 -9.899 -6.441 1.00 0.00 C ATOM 1370 O VAL A 94 -5.381 -10.443 -6.393 1.00 0.00 O ATOM 1371 CB VAL A 94 -7.463 -9.908 -4.213 1.00 0.00 C ATOM 1372 CG1 VAL A 94 -6.052 -9.418 -4.108 1.00 0.00 C ATOM 1373 CG2 VAL A 94 -8.476 -8.833 -3.810 1.00 0.00 C ATOM 0 H VAL A 94 -7.089 -12.315 -5.270 1.00 0.00 H new ATOM 0 HA VAL A 94 -8.557 -9.931 -6.072 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.633 -10.732 -3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.861 -9.074 -3.091 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.366 -10.229 -4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.900 -8.593 -4.804 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.296 -8.532 -2.778 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.368 -7.968 -4.464 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.486 -9.233 -3.901 1.00 0.00 H new ATOM 1383 N HIS A 95 -6.754 -8.849 -7.125 1.00 0.00 N ATOM 1384 CA HIS A 95 -5.769 -8.150 -7.928 1.00 0.00 C ATOM 1385 C HIS A 95 -5.845 -6.655 -7.684 1.00 0.00 C ATOM 1386 O HIS A 95 -6.874 -6.041 -7.949 1.00 0.00 O ATOM 1387 CB HIS A 95 -5.940 -8.530 -9.375 1.00 0.00 C ATOM 1388 CG HIS A 95 -5.547 -9.947 -9.539 1.00 0.00 C ATOM 1389 ND1 HIS A 95 -6.299 -10.983 -9.073 1.00 0.00 N ATOM 1390 CD2 HIS A 95 -4.405 -10.495 -9.973 1.00 0.00 C ATOM 1391 CE1 HIS A 95 -5.615 -12.094 -9.215 1.00 0.00 C ATOM 1392 NE2 HIS A 95 -4.480 -11.825 -9.772 1.00 0.00 N ATOM 0 H HIS A 95 -7.682 -8.428 -7.155 1.00 0.00 H new ATOM 0 HA HIS A 95 -4.763 -8.450 -7.634 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.975 -8.386 -9.684 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.326 -7.891 -10.009 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.571 -9.964 -10.408 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -5.947 -13.077 -8.914 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.761 -12.506 -10.018 1.00 0.00 H new ATOM 1401 N LEU A 96 -4.792 -6.070 -7.134 1.00 0.00 N ATOM 1402 CA LEU A 96 -4.807 -4.692 -6.823 1.00 0.00 C ATOM 1403 C LEU A 96 -3.691 -3.876 -7.366 1.00 0.00 C ATOM 1404 O LEU A 96 -2.540 -4.215 -7.223 1.00 0.00 O ATOM 1405 CB LEU A 96 -4.790 -4.515 -5.333 1.00 0.00 C ATOM 1406 CG LEU A 96 -5.943 -3.708 -4.956 1.00 0.00 C ATOM 1407 CD1 LEU A 96 -6.440 -4.029 -3.553 1.00 0.00 C ATOM 1408 CD2 LEU A 96 -5.655 -2.225 -5.152 1.00 0.00 C ATOM 0 H LEU A 96 -3.923 -6.551 -6.902 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.717 -4.330 -7.302 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.825 -5.484 -4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.867 -4.028 -5.019 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.763 -3.970 -5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.300 -3.401 -3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.732 -5.078 -3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.645 -3.838 -2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.531 -1.643 -4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.806 -1.934 -4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.422 -2.035 -6.200 1.00 0.00 H new ATOM 1420 N LEU A 97 -4.066 -2.730 -7.883 1.00 0.00 N ATOM 1421 CA LEU A 97 -3.095 -1.774 -8.337 1.00 0.00 C ATOM 1422 C LEU A 97 -3.109 -0.583 -7.394 1.00 0.00 C ATOM 1423 O LEU A 97 -4.099 0.143 -7.309 1.00 0.00 O ATOM 1424 CB LEU A 97 -3.403 -1.328 -9.755 1.00 0.00 C ATOM 1425 CG LEU A 97 -2.861 -2.269 -10.807 1.00 0.00 C ATOM 1426 CD1 LEU A 97 -3.345 -1.871 -12.193 1.00 0.00 C ATOM 1427 CD2 LEU A 97 -1.342 -2.285 -10.738 1.00 0.00 C ATOM 0 H LEU A 97 -5.037 -2.441 -7.998 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.106 -2.233 -8.340 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.483 -1.242 -9.875 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.984 -0.334 -9.915 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.232 -3.275 -10.611 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.941 -2.563 -12.932 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.434 -1.904 -12.221 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.007 -0.860 -12.420 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.950 -2.963 -11.496 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.959 -1.280 -10.917 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.026 -2.623 -9.751 1.00 0.00 H new ATOM 1439 N LEU A 98 -2.013 -0.406 -6.674 1.00 0.00 N ATOM 1440 CA LEU A 98 -1.892 0.679 -5.704 1.00 0.00 C ATOM 1441 C LEU A 98 -0.872 1.709 -6.122 1.00 0.00 C ATOM 1442 O LEU A 98 0.157 1.378 -6.700 1.00 0.00 O ATOM 1443 CB LEU A 98 -1.500 0.096 -4.357 1.00 0.00 C ATOM 1444 CG LEU A 98 -0.105 0.461 -3.838 1.00 0.00 C ATOM 1445 CD1 LEU A 98 -0.159 1.784 -3.087 1.00 0.00 C ATOM 1446 CD2 LEU A 98 0.377 -0.680 -2.973 1.00 0.00 C ATOM 0 H LEU A 98 -1.188 -1.002 -6.741 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.857 1.182 -5.642 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.234 0.417 -3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.567 -0.990 -4.422 1.00 0.00 H new ATOM 0 HG LEU A 98 0.601 0.601 -4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.837 2.036 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.509 2.569 -3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.844 1.696 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.370 -0.450 -2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.312 -0.821 -2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.421 -1.593 -3.567 1.00 0.00 H new ATOM 1458 N GLU A 99 -1.142 2.954 -5.771 1.00 0.00 N ATOM 1459 CA GLU A 99 -0.210 4.030 -6.066 1.00 0.00 C ATOM 1460 C GLU A 99 0.392 4.570 -4.787 1.00 0.00 C ATOM 1461 O GLU A 99 -0.277 5.192 -3.963 1.00 0.00 O ATOM 1462 CB GLU A 99 -0.844 5.156 -6.876 1.00 0.00 C ATOM 1463 CG GLU A 99 -1.975 4.706 -7.786 1.00 0.00 C ATOM 1464 CD GLU A 99 -1.880 5.308 -9.174 1.00 0.00 C ATOM 1465 OE1 GLU A 99 -2.067 6.537 -9.302 1.00 0.00 O ATOM 1466 OE2 GLU A 99 -1.619 4.551 -10.133 1.00 0.00 O ATOM 0 H GLU A 99 -1.991 3.244 -5.286 1.00 0.00 H new ATOM 0 HA GLU A 99 0.580 3.605 -6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -1.224 5.913 -6.190 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -0.073 5.632 -7.481 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -1.963 3.619 -7.864 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -2.929 4.983 -7.338 1.00 0.00 H new ATOM 1473 N LYS A 100 1.663 4.284 -4.629 1.00 0.00 N ATOM 1474 CA LYS A 100 2.413 4.676 -3.457 1.00 0.00 C ATOM 1475 C LYS A 100 2.584 6.180 -3.355 1.00 0.00 C ATOM 1476 O LYS A 100 3.359 6.787 -4.094 1.00 0.00 O ATOM 1477 CB LYS A 100 3.764 3.975 -3.493 1.00 0.00 C ATOM 1478 CG LYS A 100 4.071 3.203 -2.223 1.00 0.00 C ATOM 1479 CD LYS A 100 2.947 2.231 -1.894 1.00 0.00 C ATOM 1480 CE LYS A 100 3.401 0.785 -2.005 1.00 0.00 C ATOM 1481 NZ LYS A 100 3.274 0.267 -3.397 1.00 0.00 N ATOM 0 H LYS A 100 2.212 3.768 -5.317 1.00 0.00 H new ATOM 0 HA LYS A 100 1.856 4.375 -2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.789 3.291 -4.341 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.546 4.716 -3.658 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.007 2.657 -2.342 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.211 3.898 -1.395 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.585 2.422 -0.884 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.109 2.402 -2.570 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.439 0.705 -1.681 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.808 0.166 -1.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.041 -0.746 -3.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.519 0.783 -3.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 4.174 0.402 -3.901 1.00 0.00 H new ATOM 1495 N GLY A 101 1.868 6.771 -2.405 1.00 0.00 N ATOM 1496 CA GLY A 101 1.963 8.196 -2.188 1.00 0.00 C ATOM 1497 C GLY A 101 1.942 8.531 -0.716 1.00 0.00 C ATOM 1498 O GLY A 101 1.447 9.581 -0.304 1.00 0.00 O ATOM 0 H GLY A 101 1.223 6.285 -1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.882 8.573 -2.636 1.00 0.00 H new ATOM 0 HA3 GLY A 101 1.135 8.698 -2.689 1.00 0.00 H new ATOM 1502 N GLN A 102 2.483 7.616 0.073 1.00 0.00 N ATOM 1503 CA GLN A 102 2.547 7.764 1.513 1.00 0.00 C ATOM 1504 C GLN A 102 3.378 8.985 1.900 1.00 0.00 C ATOM 1505 O GLN A 102 3.763 9.781 1.044 1.00 0.00 O ATOM 1506 CB GLN A 102 3.138 6.499 2.141 1.00 0.00 C ATOM 1507 CG GLN A 102 2.089 5.510 2.628 1.00 0.00 C ATOM 1508 CD GLN A 102 1.829 5.631 4.117 1.00 0.00 C ATOM 1509 OE1 GLN A 102 2.405 4.898 4.922 1.00 0.00 O ATOM 1510 NE2 GLN A 102 0.957 6.560 4.492 1.00 0.00 N ATOM 0 H GLN A 102 2.891 6.747 -0.272 1.00 0.00 H new ATOM 0 HA GLN A 102 1.535 7.911 1.890 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.778 6.006 1.409 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.774 6.783 2.980 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.158 5.674 2.085 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.416 4.496 2.400 1.00 0.00 H new ATOM 0 HE21 GLN A 102 0.503 7.146 3.791 1.00 0.00 H new ATOM 0 HE22 GLN A 102 0.742 6.688 5.481 1.00 0.00 H new ATOM 1519 N SER A 103 3.654 9.124 3.194 1.00 0.00 N ATOM 1520 CA SER A 103 4.444 10.245 3.691 1.00 0.00 C ATOM 1521 C SER A 103 5.864 9.800 4.035 1.00 0.00 C ATOM 1522 O SER A 103 6.140 9.397 5.165 1.00 0.00 O ATOM 1523 CB SER A 103 3.776 10.859 4.923 1.00 0.00 C ATOM 1524 OG SER A 103 3.687 9.916 5.978 1.00 0.00 O ATOM 0 H SER A 103 3.342 8.475 3.916 1.00 0.00 H new ATOM 0 HA SER A 103 4.499 10.997 2.904 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.345 11.728 5.254 1.00 0.00 H new ATOM 0 HB3 SER A 103 2.779 11.212 4.662 1.00 0.00 H new ATOM 0 HG SER A 103 4.515 9.394 6.021 1.00 0.00 H new ATOM 1530 N PRO A 104 6.788 9.867 3.060 1.00 0.00 N ATOM 1531 CA PRO A 104 8.184 9.470 3.260 1.00 0.00 C ATOM 1532 C PRO A 104 8.940 10.416 4.148 1.00 0.00 C ATOM 1533 O PRO A 104 8.826 11.638 4.058 1.00 0.00 O ATOM 1534 CB PRO A 104 8.763 9.466 1.849 1.00 0.00 C ATOM 1535 CG PRO A 104 7.935 10.457 1.113 1.00 0.00 C ATOM 1536 CD PRO A 104 6.548 10.336 1.682 1.00 0.00 C ATOM 0 HA PRO A 104 8.259 8.507 3.764 1.00 0.00 H new ATOM 0 HB2 PRO A 104 9.816 9.749 1.850 1.00 0.00 H new ATOM 0 HB3 PRO A 104 8.699 8.477 1.395 1.00 0.00 H new ATOM 0 HG2 PRO A 104 8.325 11.466 1.244 1.00 0.00 H new ATOM 0 HG3 PRO A 104 7.938 10.251 0.043 1.00 0.00 H new ATOM 0 HD2 PRO A 104 6.022 11.291 1.668 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.941 9.629 1.116 1.00 0.00 H new ATOM 1544 N THR A 105 9.710 9.802 5.013 1.00 0.00 N ATOM 1545 CA THR A 105 10.523 10.497 5.973 1.00 0.00 C ATOM 1546 C THR A 105 9.720 11.550 6.732 1.00 0.00 C ATOM 1547 O THR A 105 10.241 12.609 7.083 1.00 0.00 O ATOM 1548 CB THR A 105 11.739 11.135 5.298 1.00 0.00 C ATOM 1549 OG1 THR A 105 11.427 11.535 3.975 1.00 0.00 O ATOM 1550 CG2 THR A 105 12.937 10.214 5.229 1.00 0.00 C ATOM 0 H THR A 105 9.788 8.787 5.068 1.00 0.00 H new ATOM 0 HA THR A 105 10.874 9.761 6.696 1.00 0.00 H new ATOM 0 HB THR A 105 11.996 11.993 5.919 1.00 0.00 H new ATOM 0 HG1 THR A 105 10.550 11.971 3.964 1.00 0.00 H new ATOM 0 HG21 THR A 105 13.764 10.728 4.739 1.00 0.00 H new ATOM 0 HG22 THR A 105 13.235 9.928 6.238 1.00 0.00 H new ATOM 0 HG23 THR A 105 12.677 9.321 4.660 1.00 0.00 H new ATOM 1558 N SER A 106 8.451 11.249 6.985 1.00 0.00 N ATOM 1559 CA SER A 106 7.576 12.168 7.704 1.00 0.00 C ATOM 1560 C SER A 106 7.768 12.030 9.212 1.00 0.00 C ATOM 1561 O SER A 106 7.583 12.990 9.961 1.00 0.00 O ATOM 1562 CB SER A 106 6.115 11.907 7.337 1.00 0.00 C ATOM 1563 OG SER A 106 5.238 12.523 8.264 1.00 0.00 O ATOM 0 H SER A 106 8.005 10.376 6.703 1.00 0.00 H new ATOM 0 HA SER A 106 7.838 13.185 7.413 1.00 0.00 H new ATOM 0 HB2 SER A 106 5.915 12.287 6.335 1.00 0.00 H new ATOM 0 HB3 SER A 106 5.929 10.833 7.314 1.00 0.00 H new ATOM 0 HG SER A 106 4.310 12.342 8.006 1.00 0.00 H new ATOM 1569 N LYS A 107 8.138 10.831 9.649 1.00 0.00 N ATOM 1570 CA LYS A 107 8.355 10.568 11.068 1.00 0.00 C ATOM 1571 C LYS A 107 9.830 10.309 11.354 1.00 0.00 C ATOM 1572 O LYS A 107 10.370 10.775 12.357 1.00 0.00 O ATOM 1573 CB LYS A 107 7.517 9.370 11.519 1.00 0.00 C ATOM 1574 CG LYS A 107 7.042 9.467 12.960 1.00 0.00 C ATOM 1575 CD LYS A 107 7.955 8.697 13.901 1.00 0.00 C ATOM 1576 CE LYS A 107 8.909 9.626 14.636 1.00 0.00 C ATOM 1577 NZ LYS A 107 8.457 9.898 16.028 1.00 0.00 N ATOM 0 H LYS A 107 8.294 10.026 9.042 1.00 0.00 H new ATOM 0 HA LYS A 107 8.045 11.451 11.628 1.00 0.00 H new ATOM 0 HB2 LYS A 107 6.650 9.277 10.865 1.00 0.00 H new ATOM 0 HB3 LYS A 107 8.105 8.460 11.400 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.005 10.514 13.262 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.027 9.077 13.037 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.353 8.146 14.624 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.526 7.961 13.335 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.904 9.181 14.658 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.992 10.566 14.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.134 10.535 16.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 7.519 10.346 16.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 8.402 9.004 16.556 1.00 0.00 H new ATOM 1591 N GLU A 108 10.478 9.561 10.466 1.00 0.00 N ATOM 1592 CA GLU A 108 11.891 9.239 10.623 1.00 0.00 C ATOM 1593 C GLU A 108 12.133 8.466 11.915 1.00 0.00 C ATOM 1594 O GLU A 108 12.180 7.220 11.858 1.00 0.00 O ATOM 1595 CB GLU A 108 12.731 10.518 10.614 1.00 0.00 C ATOM 1596 CG GLU A 108 13.000 11.060 9.220 1.00 0.00 C ATOM 1597 CD GLU A 108 13.711 12.399 9.243 1.00 0.00 C ATOM 1598 OE1 GLU A 108 13.547 13.142 10.234 1.00 0.00 O ATOM 1599 OE2 GLU A 108 14.433 12.704 8.270 1.00 0.00 O ATOM 1600 OXT GLU A 108 12.274 9.114 12.974 1.00 0.00 O ATOM 0 H GLU A 108 10.046 9.167 9.630 1.00 0.00 H new ATOM 0 HA GLU A 108 12.190 8.610 9.784 1.00 0.00 H new ATOM 0 HB2 GLU A 108 12.220 11.282 11.199 1.00 0.00 H new ATOM 0 HB3 GLU A 108 13.682 10.321 11.108 1.00 0.00 H new ATOM 0 HG2 GLU A 108 13.603 10.342 8.665 1.00 0.00 H new ATOM 0 HG3 GLU A 108 12.056 11.163 8.686 1.00 0.00 H new TER 1607 GLU A 108