USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 740 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 72 THR OG1 : rot 180:sc= 0.00634 USER MOD Set 1.2: A 75 GLN : amide:sc= -0.524 K(o=-0.52,f=-1.5) USER MOD Set 2.1: A 65 LYS NZ :NH3+ -131:sc= 0.404 (180deg=0) USER MOD Set 2.2: A 71 MET CE :methyl -119:sc= -1.15 (180deg=-6.98!) USER MOD Set 3.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 45 LYS NZ :NH3+ 153:sc= -0.073 (180deg=-0.936) USER MOD Single : A 16 GLN : amide:sc= -0.0632 X(o=-0.063,f=0) USER MOD Single : A 20 SER OG : rot -60:sc= -1.1 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.728 USER MOD Single : A 28 LYS NZ :NH3+ 173:sc= 0.665 (180deg=0.599) USER MOD Single : A 29 LYS NZ :NH3+ -153:sc= -0.0424 (180deg=-0.359) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.116 K(o=-0.12,f=-0.75) USER MOD Single : A 42 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0264) USER MOD Single : A 49 ASN : amide:sc= -0.57 X(o=-0.57,f=-0.22) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 131:sc= -0.158 (180deg=-0.971) USER MOD Single : A 54 ASN : amide:sc= -6.31! C(o=-6.3!,f=-15!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 170:sc= -3.41! (180deg=-4.39!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 100:sc= 1.19 USER MOD Single : A 69 THR OG1 : rot 86:sc= -0.471 USER MOD Single : A 70 MET CE :methyl -147:sc= 0 (180deg=-0.00734) USER MOD Single : A 77 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.18) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 30:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 164:sc=-0.00299 (180deg=-0.0814) USER MOD Single : A 86 SER OG : rot -85:sc= -0.213 USER MOD Single : A 87 SER OG : rot 102:sc= 1.2 USER MOD Single : A 92 SER OG : rot 91:sc= 1.26 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 133:sc= 0.222 (180deg=-0.122) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.4) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 16 -7.277 -27.868 -1.614 1.00 0.00 N ATOM 2 CA GLN A 16 -7.302 -26.428 -1.850 1.00 0.00 C ATOM 3 C GLN A 16 -8.050 -25.708 -0.734 1.00 0.00 C ATOM 4 O GLN A 16 -8.703 -26.339 0.097 1.00 0.00 O ATOM 5 CB GLN A 16 -7.956 -26.123 -3.200 1.00 0.00 C ATOM 6 CG GLN A 16 -7.304 -26.840 -4.370 1.00 0.00 C ATOM 7 CD GLN A 16 -6.051 -26.141 -4.858 1.00 0.00 C ATOM 8 OE1 GLN A 16 -4.956 -26.702 -4.814 1.00 0.00 O ATOM 9 NE2 GLN A 16 -6.206 -24.909 -5.328 1.00 0.00 N ATOM 0 HA GLN A 16 -6.273 -26.068 -1.864 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.009 -26.402 -3.155 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.919 -25.048 -3.377 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.055 -27.859 -4.074 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -8.018 -26.912 -5.190 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.132 -24.483 -5.346 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.399 -24.389 -5.671 1.00 0.00 H new ATOM 18 N GLY A 17 -7.950 -24.383 -0.721 1.00 0.00 N ATOM 19 CA GLY A 17 -8.621 -23.599 0.298 1.00 0.00 C ATOM 20 C GLY A 17 -7.842 -22.353 0.680 1.00 0.00 C ATOM 21 O GLY A 17 -6.678 -22.211 0.305 1.00 0.00 O ATOM 0 H GLY A 17 -7.416 -23.838 -1.398 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.608 -23.310 -0.062 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.773 -24.215 1.185 1.00 0.00 H new ATOM 25 N PRO A 18 -8.461 -21.427 1.430 1.00 0.00 N ATOM 26 CA PRO A 18 -7.805 -20.186 1.855 1.00 0.00 C ATOM 27 C PRO A 18 -6.721 -20.431 2.900 1.00 0.00 C ATOM 28 O PRO A 18 -6.426 -21.576 3.246 1.00 0.00 O ATOM 29 CB PRO A 18 -8.948 -19.366 2.455 1.00 0.00 C ATOM 30 CG PRO A 18 -9.946 -20.376 2.900 1.00 0.00 C ATOM 31 CD PRO A 18 -9.850 -21.513 1.921 1.00 0.00 C ATOM 0 HA PRO A 18 -7.296 -19.692 1.027 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.602 -18.757 3.290 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.375 -18.685 1.719 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.733 -20.715 3.914 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -10.951 -19.954 2.910 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -10.048 -22.472 2.399 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -10.570 -21.406 1.110 1.00 0.00 H new ATOM 39 N GLY A 19 -6.132 -19.349 3.398 1.00 0.00 N ATOM 40 CA GLY A 19 -5.087 -19.467 4.399 1.00 0.00 C ATOM 41 C GLY A 19 -4.293 -18.186 4.563 1.00 0.00 C ATOM 42 O GLY A 19 -4.414 -17.498 5.575 1.00 0.00 O ATOM 0 H GLY A 19 -6.359 -18.392 3.127 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.534 -19.739 5.355 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.412 -20.276 4.121 1.00 0.00 H new ATOM 46 N SER A 20 -3.478 -17.864 3.562 1.00 0.00 N ATOM 47 CA SER A 20 -2.661 -16.658 3.598 1.00 0.00 C ATOM 48 C SER A 20 -3.361 -15.497 2.888 1.00 0.00 C ATOM 49 O SER A 20 -3.031 -14.333 3.113 1.00 0.00 O ATOM 50 CB SER A 20 -1.298 -16.919 2.954 1.00 0.00 C ATOM 51 OG SER A 20 -0.282 -17.024 3.937 1.00 0.00 O ATOM 0 H SER A 20 -3.367 -18.423 2.716 1.00 0.00 H new ATOM 0 HA SER A 20 -2.515 -16.383 4.643 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.339 -17.838 2.369 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.058 -16.111 2.263 1.00 0.00 H new ATOM 0 HG SER A 20 -0.232 -16.188 4.446 1.00 0.00 H new ATOM 57 N LEU A 21 -4.326 -15.823 2.032 1.00 0.00 N ATOM 58 CA LEU A 21 -5.068 -14.809 1.290 1.00 0.00 C ATOM 59 C LEU A 21 -5.672 -13.771 2.232 1.00 0.00 C ATOM 60 O LEU A 21 -5.795 -12.597 1.881 1.00 0.00 O ATOM 61 CB LEU A 21 -6.175 -15.465 0.464 1.00 0.00 C ATOM 62 CG LEU A 21 -5.715 -16.097 -0.850 1.00 0.00 C ATOM 63 CD1 LEU A 21 -6.458 -17.398 -1.111 1.00 0.00 C ATOM 64 CD2 LEU A 21 -5.915 -15.126 -2.005 1.00 0.00 C ATOM 0 H LEU A 21 -4.612 -16.782 1.835 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.371 -14.303 0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.653 -16.234 1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.935 -14.715 0.242 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.652 -16.323 -0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.115 -17.831 -2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.264 -18.097 -0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.528 -17.200 -1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.583 -15.591 -2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.971 -14.869 -2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.334 -14.221 -1.824 1.00 0.00 H new ATOM 76 N VAL A 22 -6.048 -14.212 3.428 1.00 0.00 N ATOM 77 CA VAL A 22 -6.640 -13.321 4.418 1.00 0.00 C ATOM 78 C VAL A 22 -5.635 -12.272 4.890 1.00 0.00 C ATOM 79 O VAL A 22 -5.946 -11.082 4.939 1.00 0.00 O ATOM 80 CB VAL A 22 -7.166 -14.106 5.635 1.00 0.00 C ATOM 81 CG1 VAL A 22 -6.037 -14.864 6.315 1.00 0.00 C ATOM 82 CG2 VAL A 22 -7.859 -13.171 6.615 1.00 0.00 C ATOM 0 H VAL A 22 -5.953 -15.180 3.734 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.477 -12.819 3.932 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.897 -14.834 5.284 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.430 -15.411 7.172 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.593 -15.566 5.609 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.277 -14.159 6.653 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.224 -13.743 7.468 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.152 -12.416 6.960 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.698 -12.682 6.120 1.00 0.00 H new ATOM 92 N LYS A 23 -4.429 -12.717 5.232 1.00 0.00 N ATOM 93 CA LYS A 23 -3.386 -11.807 5.692 1.00 0.00 C ATOM 94 C LYS A 23 -3.076 -10.767 4.624 1.00 0.00 C ATOM 95 O LYS A 23 -3.120 -9.561 4.876 1.00 0.00 O ATOM 96 CB LYS A 23 -2.118 -12.586 6.053 1.00 0.00 C ATOM 97 CG LYS A 23 -1.473 -12.125 7.351 1.00 0.00 C ATOM 98 CD LYS A 23 -1.065 -13.303 8.222 1.00 0.00 C ATOM 99 CE LYS A 23 0.241 -13.032 8.951 1.00 0.00 C ATOM 100 NZ LYS A 23 0.149 -13.370 10.399 1.00 0.00 N ATOM 0 H LYS A 23 -4.151 -13.698 5.199 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.747 -11.294 6.583 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.362 -13.645 6.134 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.396 -12.486 5.242 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.597 -11.517 7.127 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.170 -11.491 7.899 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.852 -13.510 8.948 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.959 -14.194 7.604 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.040 -13.614 8.492 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.508 -11.981 8.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.060 -13.171 10.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.597 -12.797 10.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.080 -14.379 10.506 1.00 0.00 H new ATOM 114 N VAL A 24 -2.780 -11.245 3.421 1.00 0.00 N ATOM 115 CA VAL A 24 -2.482 -10.359 2.305 1.00 0.00 C ATOM 116 C VAL A 24 -3.642 -9.399 2.076 1.00 0.00 C ATOM 117 O VAL A 24 -3.442 -8.214 1.801 1.00 0.00 O ATOM 118 CB VAL A 24 -2.202 -11.144 1.007 1.00 0.00 C ATOM 119 CG1 VAL A 24 -1.518 -10.252 -0.018 1.00 0.00 C ATOM 120 CG2 VAL A 24 -1.357 -12.377 1.292 1.00 0.00 C ATOM 0 H VAL A 24 -2.740 -12.239 3.195 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.582 -9.800 2.563 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.156 -11.474 0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.328 -10.822 -0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.162 -9.404 -0.250 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.573 -9.890 0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.172 -12.915 0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.406 -12.073 1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.886 -13.028 1.988 1.00 0.00 H new ATOM 130 N GLY A 25 -4.860 -9.916 2.221 1.00 0.00 N ATOM 131 CA GLY A 25 -6.037 -9.088 2.055 1.00 0.00 C ATOM 132 C GLY A 25 -6.091 -7.999 3.104 1.00 0.00 C ATOM 133 O GLY A 25 -6.485 -6.866 2.821 1.00 0.00 O ATOM 0 H GLY A 25 -5.050 -10.892 2.450 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.033 -8.640 1.061 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.932 -9.706 2.122 1.00 0.00 H new ATOM 137 N THR A 26 -5.667 -8.342 4.318 1.00 0.00 N ATOM 138 CA THR A 26 -5.642 -7.387 5.417 1.00 0.00 C ATOM 139 C THR A 26 -4.795 -6.182 5.029 1.00 0.00 C ATOM 140 O THR A 26 -5.190 -5.033 5.234 1.00 0.00 O ATOM 141 CB THR A 26 -5.080 -8.043 6.680 1.00 0.00 C ATOM 142 OG1 THR A 26 -5.477 -9.400 6.757 1.00 0.00 O ATOM 143 CG2 THR A 26 -5.522 -7.363 7.957 1.00 0.00 C ATOM 0 H THR A 26 -5.336 -9.275 4.563 1.00 0.00 H new ATOM 0 HA THR A 26 -6.660 -7.057 5.624 1.00 0.00 H new ATOM 0 HB THR A 26 -3.997 -7.951 6.596 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.107 -9.803 7.570 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.087 -7.879 8.813 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.188 -6.325 7.951 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.609 -7.394 8.028 1.00 0.00 H new ATOM 151 N LEU A 27 -3.635 -6.457 4.439 1.00 0.00 N ATOM 152 CA LEU A 27 -2.745 -5.394 3.995 1.00 0.00 C ATOM 153 C LEU A 27 -3.442 -4.549 2.940 1.00 0.00 C ATOM 154 O LEU A 27 -3.306 -3.326 2.919 1.00 0.00 O ATOM 155 CB LEU A 27 -1.445 -5.978 3.438 1.00 0.00 C ATOM 156 CG LEU A 27 -0.183 -5.179 3.767 1.00 0.00 C ATOM 157 CD1 LEU A 27 1.026 -6.100 3.838 1.00 0.00 C ATOM 158 CD2 LEU A 27 0.039 -4.084 2.736 1.00 0.00 C ATOM 0 H LEU A 27 -3.293 -7.401 4.259 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.496 -4.763 4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.326 -6.991 3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.535 -6.057 2.355 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.316 -4.710 4.742 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.915 -5.515 4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.868 -6.848 4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.162 -6.597 2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.941 -3.526 2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.151 -4.531 1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.816 -3.408 2.733 1.00 0.00 H new ATOM 170 N LYS A 28 -4.219 -5.209 2.079 1.00 0.00 N ATOM 171 CA LYS A 28 -4.964 -4.506 1.042 1.00 0.00 C ATOM 172 C LYS A 28 -5.821 -3.427 1.689 1.00 0.00 C ATOM 173 O LYS A 28 -5.924 -2.305 1.187 1.00 0.00 O ATOM 174 CB LYS A 28 -5.842 -5.483 0.255 1.00 0.00 C ATOM 175 CG LYS A 28 -5.420 -5.644 -1.196 1.00 0.00 C ATOM 176 CD LYS A 28 -6.296 -4.821 -2.127 1.00 0.00 C ATOM 177 CE LYS A 28 -6.634 -5.587 -3.397 1.00 0.00 C ATOM 178 NZ LYS A 28 -6.667 -4.698 -4.591 1.00 0.00 N ATOM 0 H LYS A 28 -4.346 -6.221 2.081 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.264 -4.045 0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.815 -6.457 0.743 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.875 -5.138 0.288 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.380 -5.339 -1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.476 -6.696 -1.477 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.216 -4.544 -1.612 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.784 -3.894 -2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.897 -6.375 -3.552 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.602 -6.074 -3.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.783 -5.274 -5.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.464 -4.035 -4.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.777 -4.163 -4.650 1.00 0.00 H new ATOM 192 N LYS A 29 -6.409 -3.774 2.831 1.00 0.00 N ATOM 193 CA LYS A 29 -7.230 -2.836 3.579 1.00 0.00 C ATOM 194 C LYS A 29 -6.359 -1.691 4.074 1.00 0.00 C ATOM 195 O LYS A 29 -6.779 -0.533 4.078 1.00 0.00 O ATOM 196 CB LYS A 29 -7.907 -3.535 4.760 1.00 0.00 C ATOM 197 CG LYS A 29 -9.287 -4.085 4.432 1.00 0.00 C ATOM 198 CD LYS A 29 -9.255 -5.594 4.231 1.00 0.00 C ATOM 199 CE LYS A 29 -10.372 -6.283 4.999 1.00 0.00 C ATOM 200 NZ LYS A 29 -10.227 -6.104 6.470 1.00 0.00 N ATOM 0 H LYS A 29 -6.330 -4.698 3.255 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.009 -2.444 2.926 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.271 -4.352 5.101 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.993 -2.831 5.588 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.978 -3.839 5.238 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.666 -3.605 3.530 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.347 -5.823 3.169 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.292 -5.985 4.559 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.334 -5.883 4.678 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.374 -7.347 4.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.675 -6.903 6.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.218 -6.067 6.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.687 -5.217 6.759 1.00 0.00 H new ATOM 214 N ARG A 30 -5.132 -2.022 4.474 1.00 0.00 N ATOM 215 CA ARG A 30 -4.192 -1.018 4.951 1.00 0.00 C ATOM 216 C ARG A 30 -3.860 -0.043 3.826 1.00 0.00 C ATOM 217 O ARG A 30 -3.660 1.149 4.059 1.00 0.00 O ATOM 218 CB ARG A 30 -2.915 -1.682 5.470 1.00 0.00 C ATOM 219 CG ARG A 30 -2.474 -1.172 6.832 1.00 0.00 C ATOM 220 CD ARG A 30 -3.256 -1.835 7.956 1.00 0.00 C ATOM 221 NE ARG A 30 -4.290 -0.955 8.495 1.00 0.00 N ATOM 222 CZ ARG A 30 -4.050 0.029 9.359 1.00 0.00 C ATOM 223 NH1 ARG A 30 -2.814 0.262 9.783 1.00 0.00 N ATOM 224 NH2 ARG A 30 -5.048 0.782 9.800 1.00 0.00 N ATOM 0 H ARG A 30 -4.770 -2.976 4.476 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.652 -0.470 5.773 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.073 -2.759 5.528 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.112 -1.517 4.752 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.409 -1.363 6.966 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.612 -0.092 6.879 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.716 -2.751 7.586 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.571 -2.122 8.754 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.252 -1.103 8.192 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.042 -0.314 9.447 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.636 1.017 10.445 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.000 0.607 9.477 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.864 1.536 10.462 1.00 0.00 H new ATOM 238 N LEU A 31 -3.819 -0.560 2.600 1.00 0.00 N ATOM 239 CA LEU A 31 -3.529 0.263 1.433 1.00 0.00 C ATOM 240 C LEU A 31 -4.610 1.324 1.263 1.00 0.00 C ATOM 241 O LEU A 31 -4.315 2.511 1.123 1.00 0.00 O ATOM 242 CB LEU A 31 -3.439 -0.603 0.175 1.00 0.00 C ATOM 243 CG LEU A 31 -2.028 -1.063 -0.198 1.00 0.00 C ATOM 244 CD1 LEU A 31 -2.049 -1.844 -1.503 1.00 0.00 C ATOM 245 CD2 LEU A 31 -1.090 0.131 -0.306 1.00 0.00 C ATOM 0 H LEU A 31 -3.983 -1.545 2.391 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.568 0.755 1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.066 -1.483 0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.855 -0.043 -0.663 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.660 -1.720 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.037 -2.163 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.689 -2.720 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.436 -1.210 -2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.091 -0.214 -0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.455 0.812 -1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.051 0.651 0.651 1.00 0.00 H new ATOM 257 N ASP A 32 -5.866 0.886 1.291 1.00 0.00 N ATOM 258 CA ASP A 32 -6.994 1.800 1.158 1.00 0.00 C ATOM 259 C ASP A 32 -6.943 2.862 2.250 1.00 0.00 C ATOM 260 O ASP A 32 -7.247 4.032 2.015 1.00 0.00 O ATOM 261 CB ASP A 32 -8.314 1.031 1.233 1.00 0.00 C ATOM 262 CG ASP A 32 -9.403 1.666 0.390 1.00 0.00 C ATOM 263 OD1 ASP A 32 -9.232 1.734 -0.846 1.00 0.00 O ATOM 264 OD2 ASP A 32 -10.426 2.094 0.963 1.00 0.00 O ATOM 0 H ASP A 32 -6.127 -0.094 1.404 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.931 2.291 0.187 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.153 0.005 0.901 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.644 0.982 2.271 1.00 0.00 H new ATOM 269 N LYS A 33 -6.541 2.441 3.447 1.00 0.00 N ATOM 270 CA LYS A 33 -6.429 3.349 4.581 1.00 0.00 C ATOM 271 C LYS A 33 -5.477 4.494 4.250 1.00 0.00 C ATOM 272 O LYS A 33 -5.767 5.658 4.526 1.00 0.00 O ATOM 273 CB LYS A 33 -5.938 2.588 5.817 1.00 0.00 C ATOM 274 CG LYS A 33 -5.620 3.485 7.004 1.00 0.00 C ATOM 275 CD LYS A 33 -6.870 4.156 7.549 1.00 0.00 C ATOM 276 CE LYS A 33 -6.536 5.446 8.284 1.00 0.00 C ATOM 277 NZ LYS A 33 -7.086 5.453 9.667 1.00 0.00 N ATOM 0 H LYS A 33 -6.288 1.475 3.655 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.412 3.767 4.795 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.698 1.865 6.113 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.045 2.021 5.552 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.150 2.895 7.791 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.900 4.246 6.703 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.556 4.370 6.729 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.385 3.474 8.225 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.454 5.573 8.323 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.937 6.294 7.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.837 6.348 10.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.121 5.358 9.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.684 4.658 10.204 1.00 0.00 H new ATOM 291 N PHE A 34 -4.344 4.152 3.645 1.00 0.00 N ATOM 292 CA PHE A 34 -3.354 5.151 3.265 1.00 0.00 C ATOM 293 C PHE A 34 -3.958 6.134 2.270 1.00 0.00 C ATOM 294 O PHE A 34 -3.714 7.337 2.342 1.00 0.00 O ATOM 295 CB PHE A 34 -2.121 4.479 2.656 1.00 0.00 C ATOM 296 CG PHE A 34 -1.624 3.294 3.438 1.00 0.00 C ATOM 297 CD1 PHE A 34 -1.771 3.240 4.817 1.00 0.00 C ATOM 298 CD2 PHE A 34 -1.009 2.234 2.794 1.00 0.00 C ATOM 299 CE1 PHE A 34 -1.312 2.153 5.536 1.00 0.00 C ATOM 300 CE2 PHE A 34 -0.548 1.143 3.506 1.00 0.00 C ATOM 301 CZ PHE A 34 -0.699 1.102 4.879 1.00 0.00 C ATOM 0 H PHE A 34 -4.090 3.193 3.408 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.048 5.694 4.159 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.358 4.159 1.641 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.319 5.214 2.580 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.250 4.058 5.335 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.888 2.260 1.721 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.432 2.124 6.609 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.070 0.323 2.990 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.339 0.251 5.438 1.00 0.00 H new ATOM 311 N ASN A 35 -4.759 5.611 1.344 1.00 0.00 N ATOM 312 CA ASN A 35 -5.410 6.441 0.338 1.00 0.00 C ATOM 313 C ASN A 35 -6.239 7.534 1.007 1.00 0.00 C ATOM 314 O ASN A 35 -6.207 8.693 0.592 1.00 0.00 O ATOM 315 CB ASN A 35 -6.300 5.585 -0.567 1.00 0.00 C ATOM 316 CG ASN A 35 -5.689 5.367 -1.938 1.00 0.00 C ATOM 317 OD1 ASN A 35 -5.088 6.274 -2.513 1.00 0.00 O ATOM 318 ND2 ASN A 35 -5.844 4.160 -2.468 1.00 0.00 N ATOM 0 H ASN A 35 -4.972 4.616 1.271 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.639 6.910 -0.273 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.475 4.620 -0.092 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.272 6.067 -0.677 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.457 3.954 -3.389 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.350 3.439 -1.954 1.00 0.00 H new ATOM 325 N GLU A 36 -6.974 7.156 2.048 1.00 0.00 N ATOM 326 CA GLU A 36 -7.801 8.107 2.782 1.00 0.00 C ATOM 327 C GLU A 36 -6.942 9.219 3.369 1.00 0.00 C ATOM 328 O GLU A 36 -7.185 10.404 3.131 1.00 0.00 O ATOM 329 CB GLU A 36 -8.573 7.392 3.896 1.00 0.00 C ATOM 330 CG GLU A 36 -10.061 7.252 3.613 1.00 0.00 C ATOM 331 CD GLU A 36 -10.838 6.752 4.815 1.00 0.00 C ATOM 332 OE1 GLU A 36 -10.774 7.405 5.877 1.00 0.00 O ATOM 333 OE2 GLU A 36 -11.511 5.707 4.693 1.00 0.00 O ATOM 0 H GLU A 36 -7.014 6.200 2.402 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.516 8.549 2.088 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.145 6.401 4.044 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.439 7.940 4.829 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.461 8.217 3.303 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.206 6.564 2.780 1.00 0.00 H new ATOM 340 N VAL A 37 -5.928 8.826 4.131 1.00 0.00 N ATOM 341 CA VAL A 37 -5.018 9.782 4.748 1.00 0.00 C ATOM 342 C VAL A 37 -4.384 10.681 3.692 1.00 0.00 C ATOM 343 O VAL A 37 -4.187 11.876 3.911 1.00 0.00 O ATOM 344 CB VAL A 37 -3.903 9.070 5.541 1.00 0.00 C ATOM 345 CG1 VAL A 37 -3.048 10.080 6.291 1.00 0.00 C ATOM 346 CG2 VAL A 37 -4.497 8.048 6.500 1.00 0.00 C ATOM 0 H VAL A 37 -5.716 7.850 4.336 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.607 10.387 5.437 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.263 8.542 4.834 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.268 9.557 6.844 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.590 10.768 5.580 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.673 10.640 6.987 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.695 7.556 7.050 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.163 8.551 7.201 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.059 7.304 5.936 1.00 0.00 H new ATOM 356 N VAL A 38 -4.072 10.094 2.541 1.00 0.00 N ATOM 357 CA VAL A 38 -3.468 10.835 1.442 1.00 0.00 C ATOM 358 C VAL A 38 -4.484 11.772 0.797 1.00 0.00 C ATOM 359 O VAL A 38 -4.153 12.892 0.409 1.00 0.00 O ATOM 360 CB VAL A 38 -2.905 9.883 0.369 1.00 0.00 C ATOM 361 CG1 VAL A 38 -2.250 10.665 -0.762 1.00 0.00 C ATOM 362 CG2 VAL A 38 -1.915 8.910 0.993 1.00 0.00 C ATOM 0 H VAL A 38 -4.228 9.105 2.346 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.649 11.421 1.859 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.733 9.313 -0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.861 9.971 -1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.988 11.319 -1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.432 11.266 -0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.525 8.244 0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.092 9.466 1.442 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.417 8.322 1.761 1.00 0.00 H new ATOM 372 N SER A 39 -5.727 11.308 0.697 1.00 0.00 N ATOM 373 CA SER A 39 -6.794 12.110 0.109 1.00 0.00 C ATOM 374 C SER A 39 -6.950 13.422 0.867 1.00 0.00 C ATOM 375 O SER A 39 -7.209 14.468 0.274 1.00 0.00 O ATOM 376 CB SER A 39 -8.113 11.335 0.127 1.00 0.00 C ATOM 377 OG SER A 39 -8.946 11.716 -0.954 1.00 0.00 O ATOM 0 H SER A 39 -6.019 10.384 1.015 1.00 0.00 H new ATOM 0 HA SER A 39 -6.530 12.331 -0.925 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.910 10.265 0.074 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.631 11.515 1.069 1.00 0.00 H new ATOM 0 HG SER A 39 -9.781 11.204 -0.920 1.00 0.00 H new ATOM 383 N ALA A 40 -6.782 13.354 2.184 1.00 0.00 N ATOM 384 CA ALA A 40 -6.894 14.536 3.030 1.00 0.00 C ATOM 385 C ALA A 40 -5.679 15.447 2.863 1.00 0.00 C ATOM 386 O ALA A 40 -5.736 16.636 3.178 1.00 0.00 O ATOM 387 CB ALA A 40 -7.053 14.128 4.486 1.00 0.00 C ATOM 0 H ALA A 40 -6.568 12.493 2.688 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.779 15.093 2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.136 15.020 5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.953 13.523 4.598 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.185 13.548 4.798 1.00 0.00 H new ATOM 393 N LEU A 41 -4.582 14.882 2.365 1.00 0.00 N ATOM 394 CA LEU A 41 -3.355 15.644 2.156 1.00 0.00 C ATOM 395 C LEU A 41 -3.413 16.423 0.845 1.00 0.00 C ATOM 396 O LEU A 41 -2.784 17.473 0.709 1.00 0.00 O ATOM 397 CB LEU A 41 -2.145 14.709 2.149 1.00 0.00 C ATOM 398 CG LEU A 41 -1.718 14.185 3.520 1.00 0.00 C ATOM 399 CD1 LEU A 41 -0.799 12.984 3.367 1.00 0.00 C ATOM 400 CD2 LEU A 41 -1.035 15.283 4.322 1.00 0.00 C ATOM 0 H LEU A 41 -4.518 13.899 2.099 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.255 16.354 2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.368 13.858 1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.302 15.235 1.701 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.609 13.869 4.062 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.504 12.623 4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.322 12.191 2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.089 13.275 2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.738 14.892 5.295 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.152 15.630 3.785 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.725 16.115 4.461 1.00 0.00 H new ATOM 412 N LYS A 42 -4.168 15.898 -0.118 1.00 0.00 N ATOM 413 CA LYS A 42 -4.309 16.537 -1.424 1.00 0.00 C ATOM 414 C LYS A 42 -2.982 16.544 -2.175 1.00 0.00 C ATOM 415 O LYS A 42 -2.788 15.770 -3.113 1.00 0.00 O ATOM 416 CB LYS A 42 -4.832 17.967 -1.270 1.00 0.00 C ATOM 417 CG LYS A 42 -6.259 18.041 -0.748 1.00 0.00 C ATOM 418 CD LYS A 42 -6.294 18.373 0.736 1.00 0.00 C ATOM 419 CE LYS A 42 -7.505 17.754 1.416 1.00 0.00 C ATOM 420 NZ LYS A 42 -8.782 18.266 0.848 1.00 0.00 N ATOM 0 H LYS A 42 -4.693 15.029 -0.017 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.029 15.959 -2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.177 18.513 -0.591 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.781 18.470 -2.236 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.812 18.798 -1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.760 17.089 -0.921 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.383 18.011 1.213 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.315 19.455 0.868 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.468 16.670 1.307 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.471 17.969 2.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.580 17.913 1.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.778 19.306 0.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.882 17.938 -0.134 1.00 0.00 H new ATOM 434 N ASP A 43 -2.075 17.422 -1.762 1.00 0.00 N ATOM 435 CA ASP A 43 -0.767 17.530 -2.400 1.00 0.00 C ATOM 436 C ASP A 43 -0.023 16.196 -2.353 1.00 0.00 C ATOM 437 O ASP A 43 -0.300 15.350 -1.505 1.00 0.00 O ATOM 438 CB ASP A 43 0.068 18.616 -1.719 1.00 0.00 C ATOM 439 CG ASP A 43 0.858 19.445 -2.712 1.00 0.00 C ATOM 440 OD1 ASP A 43 0.335 19.709 -3.814 1.00 0.00 O ATOM 441 OD2 ASP A 43 2.001 19.830 -2.386 1.00 0.00 O ATOM 0 H ASP A 43 -2.221 18.070 -0.988 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.923 17.801 -3.444 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.589 19.270 -1.146 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.754 18.152 -1.010 1.00 0.00 H new ATOM 446 N GLY A 44 0.923 16.020 -3.271 1.00 0.00 N ATOM 447 CA GLY A 44 1.692 14.790 -3.318 1.00 0.00 C ATOM 448 C GLY A 44 0.818 13.566 -3.505 1.00 0.00 C ATOM 449 O GLY A 44 0.876 12.628 -2.711 1.00 0.00 O ATOM 0 H GLY A 44 1.170 16.707 -3.983 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.412 14.846 -4.134 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.263 14.687 -2.395 1.00 0.00 H new ATOM 453 N LYS A 45 0.003 13.579 -4.554 1.00 0.00 N ATOM 454 CA LYS A 45 -0.895 12.464 -4.844 1.00 0.00 C ATOM 455 C LYS A 45 -0.201 11.397 -5.692 1.00 0.00 C ATOM 456 O LYS A 45 -0.251 10.210 -5.369 1.00 0.00 O ATOM 457 CB LYS A 45 -2.149 12.969 -5.562 1.00 0.00 C ATOM 458 CG LYS A 45 -3.384 13.005 -4.678 1.00 0.00 C ATOM 459 CD LYS A 45 -4.028 11.631 -4.565 1.00 0.00 C ATOM 460 CE LYS A 45 -4.793 11.479 -3.260 1.00 0.00 C ATOM 461 NZ LYS A 45 -6.259 11.646 -3.453 1.00 0.00 N ATOM 0 H LYS A 45 -0.055 14.350 -5.219 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.182 12.009 -3.896 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.958 13.971 -5.946 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.347 12.330 -6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.112 13.363 -3.685 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.105 13.714 -5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.705 11.475 -5.405 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.259 10.861 -4.629 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.593 10.496 -2.834 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.435 12.216 -2.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.769 11.114 -2.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.506 12.654 -3.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.529 11.286 -4.391 1.00 0.00 H new ATOM 475 N PRO A 46 0.451 11.802 -6.798 1.00 0.00 N ATOM 476 CA PRO A 46 1.143 10.868 -7.693 1.00 0.00 C ATOM 477 C PRO A 46 2.138 9.976 -6.956 1.00 0.00 C ATOM 478 O PRO A 46 2.227 8.779 -7.227 1.00 0.00 O ATOM 479 CB PRO A 46 1.876 11.788 -8.672 1.00 0.00 C ATOM 480 CG PRO A 46 1.090 13.052 -8.666 1.00 0.00 C ATOM 481 CD PRO A 46 0.553 13.196 -7.269 1.00 0.00 C ATOM 0 HA PRO A 46 0.447 10.179 -8.171 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.905 11.961 -8.358 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.916 11.352 -9.670 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.717 13.903 -8.933 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.280 13.012 -9.394 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.221 13.785 -6.640 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.416 13.695 -7.260 1.00 0.00 H new ATOM 489 N GLU A 47 2.884 10.562 -6.026 1.00 0.00 N ATOM 490 CA GLU A 47 3.872 9.813 -5.255 1.00 0.00 C ATOM 491 C GLU A 47 3.222 8.633 -4.538 1.00 0.00 C ATOM 492 O GLU A 47 3.693 7.497 -4.630 1.00 0.00 O ATOM 493 CB GLU A 47 4.559 10.727 -4.241 1.00 0.00 C ATOM 494 CG GLU A 47 5.646 10.036 -3.436 1.00 0.00 C ATOM 495 CD GLU A 47 6.224 10.924 -2.353 1.00 0.00 C ATOM 496 OE1 GLU A 47 6.963 11.873 -2.694 1.00 0.00 O ATOM 497 OE2 GLU A 47 5.939 10.672 -1.163 1.00 0.00 O ATOM 0 H GLU A 47 2.824 11.552 -5.787 1.00 0.00 H new ATOM 0 HA GLU A 47 4.619 9.426 -5.948 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.993 11.577 -4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.809 11.125 -3.557 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.238 9.134 -2.981 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.445 9.721 -4.107 1.00 0.00 H new ATOM 504 N VAL A 48 2.136 8.911 -3.830 1.00 0.00 N ATOM 505 CA VAL A 48 1.416 7.874 -3.100 1.00 0.00 C ATOM 506 C VAL A 48 0.828 6.853 -4.061 1.00 0.00 C ATOM 507 O VAL A 48 1.103 5.662 -3.959 1.00 0.00 O ATOM 508 CB VAL A 48 0.278 8.459 -2.232 1.00 0.00 C ATOM 509 CG1 VAL A 48 -0.059 7.516 -1.085 1.00 0.00 C ATOM 510 CG2 VAL A 48 0.649 9.838 -1.701 1.00 0.00 C ATOM 0 H VAL A 48 1.734 9.844 -3.745 1.00 0.00 H new ATOM 0 HA VAL A 48 2.140 7.393 -2.442 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.605 8.567 -2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.862 7.945 -0.485 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.380 6.555 -1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.823 7.372 -0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.169 10.226 -1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.550 9.763 -1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.832 10.513 -2.537 1.00 0.00 H new ATOM 520 N ASN A 49 0.025 7.324 -5.005 1.00 0.00 N ATOM 521 CA ASN A 49 -0.591 6.439 -5.986 1.00 0.00 C ATOM 522 C ASN A 49 0.463 5.607 -6.713 1.00 0.00 C ATOM 523 O ASN A 49 0.172 4.522 -7.212 1.00 0.00 O ATOM 524 CB ASN A 49 -1.405 7.248 -6.995 1.00 0.00 C ATOM 525 CG ASN A 49 -2.752 7.673 -6.444 1.00 0.00 C ATOM 526 OD1 ASN A 49 -3.701 6.890 -6.420 1.00 0.00 O ATOM 527 ND2 ASN A 49 -2.844 8.920 -5.998 1.00 0.00 N ATOM 0 H ASN A 49 -0.215 8.309 -5.113 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.257 5.760 -5.454 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.840 8.133 -7.287 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.555 6.654 -7.896 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.726 9.262 -5.617 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.032 9.537 -6.036 1.00 0.00 H new ATOM 534 N ARG A 50 1.688 6.121 -6.774 1.00 0.00 N ATOM 535 CA ARG A 50 2.778 5.423 -7.449 1.00 0.00 C ATOM 536 C ARG A 50 3.244 4.207 -6.650 1.00 0.00 C ATOM 537 O ARG A 50 3.381 3.108 -7.193 1.00 0.00 O ATOM 538 CB ARG A 50 3.952 6.377 -7.679 1.00 0.00 C ATOM 539 CG ARG A 50 5.164 5.711 -8.314 1.00 0.00 C ATOM 540 CD ARG A 50 4.825 5.107 -9.668 1.00 0.00 C ATOM 541 NE ARG A 50 5.050 3.664 -9.698 1.00 0.00 N ATOM 542 CZ ARG A 50 6.245 3.103 -9.869 1.00 0.00 C ATOM 543 NH1 ARG A 50 7.326 3.857 -10.020 1.00 0.00 N ATOM 544 NH2 ARG A 50 6.359 1.781 -9.888 1.00 0.00 N ATOM 0 H ARG A 50 1.951 7.018 -6.365 1.00 0.00 H new ATOM 0 HA ARG A 50 2.403 5.071 -8.410 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.623 7.197 -8.317 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.246 6.814 -6.725 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.963 6.443 -8.431 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.541 4.932 -7.651 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.782 5.316 -9.907 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.430 5.584 -10.439 1.00 0.00 H new ATOM 0 HE ARG A 50 4.244 3.050 -9.581 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.245 4.874 -10.005 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.238 3.420 -10.151 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.532 1.196 -9.772 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.274 1.350 -10.019 1.00 0.00 H new ATOM 558 N GLN A 51 3.480 4.408 -5.359 1.00 0.00 N ATOM 559 CA GLN A 51 3.930 3.325 -4.494 1.00 0.00 C ATOM 560 C GLN A 51 2.761 2.428 -4.144 1.00 0.00 C ATOM 561 O GLN A 51 2.852 1.203 -4.206 1.00 0.00 O ATOM 562 CB GLN A 51 4.566 3.884 -3.220 1.00 0.00 C ATOM 563 CG GLN A 51 5.672 4.893 -3.483 1.00 0.00 C ATOM 564 CD GLN A 51 6.441 5.256 -2.228 1.00 0.00 C ATOM 565 OE1 GLN A 51 7.367 4.551 -1.827 1.00 0.00 O ATOM 566 NE2 GLN A 51 6.058 6.362 -1.599 1.00 0.00 N ATOM 0 H GLN A 51 3.368 5.307 -4.890 1.00 0.00 H new ATOM 0 HA GLN A 51 4.682 2.741 -5.026 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.792 4.356 -2.615 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.971 3.059 -2.634 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.362 4.486 -4.222 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.240 5.796 -3.914 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.285 6.916 -1.967 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.537 6.657 -0.748 1.00 0.00 H new ATOM 575 N ILE A 52 1.657 3.060 -3.792 1.00 0.00 N ATOM 576 CA ILE A 52 0.444 2.356 -3.447 1.00 0.00 C ATOM 577 C ILE A 52 -0.006 1.463 -4.602 1.00 0.00 C ATOM 578 O ILE A 52 -0.531 0.371 -4.385 1.00 0.00 O ATOM 579 CB ILE A 52 -0.666 3.361 -3.084 1.00 0.00 C ATOM 580 CG1 ILE A 52 -0.234 4.199 -1.875 1.00 0.00 C ATOM 581 CG2 ILE A 52 -1.975 2.647 -2.808 1.00 0.00 C ATOM 582 CD1 ILE A 52 -1.382 4.826 -1.108 1.00 0.00 C ATOM 0 H ILE A 52 1.580 4.076 -3.738 1.00 0.00 H new ATOM 0 HA ILE A 52 0.644 1.724 -2.582 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.826 4.026 -3.932 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.339 3.568 -1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.435 4.990 -2.216 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.742 3.379 -2.554 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.281 2.093 -3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.844 1.955 -1.976 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.989 5.401 -0.270 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.944 5.486 -1.769 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.040 4.042 -0.733 1.00 0.00 H new ATOM 594 N LYS A 53 0.203 1.933 -5.831 1.00 0.00 N ATOM 595 CA LYS A 53 -0.182 1.165 -7.010 1.00 0.00 C ATOM 596 C LYS A 53 0.706 -0.062 -7.187 1.00 0.00 C ATOM 597 O LYS A 53 0.205 -1.181 -7.283 1.00 0.00 O ATOM 598 CB LYS A 53 -0.125 2.035 -8.268 1.00 0.00 C ATOM 599 CG LYS A 53 -0.544 1.303 -9.534 1.00 0.00 C ATOM 600 CD LYS A 53 0.613 0.527 -10.142 1.00 0.00 C ATOM 601 CE LYS A 53 0.412 0.306 -11.632 1.00 0.00 C ATOM 602 NZ LYS A 53 -0.823 -0.478 -11.918 1.00 0.00 N ATOM 0 H LYS A 53 0.634 2.835 -6.034 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.208 0.828 -6.859 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.770 2.902 -8.129 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.891 2.410 -8.394 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.361 0.619 -9.306 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.923 2.021 -10.261 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.544 1.069 -9.976 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.711 -0.436 -9.640 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.355 1.270 -12.137 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.276 -0.217 -12.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.377 0.003 -12.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.562 -1.430 -12.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.394 -0.555 -11.052 1.00 0.00 H new ATOM 616 N ASN A 54 2.027 0.142 -7.224 1.00 0.00 N ATOM 617 CA ASN A 54 2.949 -0.981 -7.390 1.00 0.00 C ATOM 618 C ASN A 54 2.801 -1.969 -6.238 1.00 0.00 C ATOM 619 O ASN A 54 2.979 -3.177 -6.414 1.00 0.00 O ATOM 620 CB ASN A 54 4.400 -0.496 -7.516 1.00 0.00 C ATOM 621 CG ASN A 54 4.922 0.188 -6.267 1.00 0.00 C ATOM 622 OD1 ASN A 54 4.625 -0.222 -5.146 1.00 0.00 O ATOM 623 ND2 ASN A 54 5.716 1.234 -6.461 1.00 0.00 N ATOM 0 H ASN A 54 2.473 1.056 -7.143 1.00 0.00 H new ATOM 0 HA ASN A 54 2.693 -1.494 -8.317 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.040 -1.347 -7.748 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.472 0.195 -8.356 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.107 1.733 -5.662 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.935 1.539 -7.409 1.00 0.00 H new ATOM 630 N LEU A 55 2.443 -1.457 -5.065 1.00 0.00 N ATOM 631 CA LEU A 55 2.242 -2.308 -3.902 1.00 0.00 C ATOM 632 C LEU A 55 0.963 -3.106 -4.078 1.00 0.00 C ATOM 633 O LEU A 55 0.906 -4.292 -3.751 1.00 0.00 O ATOM 634 CB LEU A 55 2.186 -1.473 -2.620 1.00 0.00 C ATOM 635 CG LEU A 55 3.527 -0.896 -2.166 1.00 0.00 C ATOM 636 CD1 LEU A 55 3.321 0.126 -1.060 1.00 0.00 C ATOM 637 CD2 LEU A 55 4.456 -2.008 -1.699 1.00 0.00 C ATOM 0 H LEU A 55 2.287 -0.463 -4.897 1.00 0.00 H new ATOM 0 HA LEU A 55 3.084 -2.995 -3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.486 -0.651 -2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.784 -2.092 -1.818 1.00 0.00 H new ATOM 0 HG LEU A 55 3.991 -0.394 -3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.286 0.526 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.693 0.938 -1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.836 -0.352 -0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.406 -1.579 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.998 -2.538 -0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.630 -2.705 -2.519 1.00 0.00 H new ATOM 649 N GLU A 56 -0.056 -2.457 -4.637 1.00 0.00 N ATOM 650 CA GLU A 56 -1.320 -3.125 -4.900 1.00 0.00 C ATOM 651 C GLU A 56 -1.065 -4.304 -5.831 1.00 0.00 C ATOM 652 O GLU A 56 -1.737 -5.332 -5.760 1.00 0.00 O ATOM 653 CB GLU A 56 -2.325 -2.153 -5.526 1.00 0.00 C ATOM 654 CG GLU A 56 -3.477 -1.794 -4.602 1.00 0.00 C ATOM 655 CD GLU A 56 -4.819 -1.821 -5.307 1.00 0.00 C ATOM 656 OE1 GLU A 56 -5.169 -2.876 -5.877 1.00 0.00 O ATOM 657 OE2 GLU A 56 -5.520 -0.788 -5.290 1.00 0.00 O ATOM 0 H GLU A 56 -0.028 -1.476 -4.914 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.746 -3.483 -3.963 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.804 -1.240 -5.816 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.726 -2.595 -6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.497 -2.491 -3.764 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.309 -0.800 -4.186 1.00 0.00 H new ATOM 664 N ILE A 57 -0.057 -4.143 -6.687 1.00 0.00 N ATOM 665 CA ILE A 57 0.335 -5.187 -7.620 1.00 0.00 C ATOM 666 C ILE A 57 0.929 -6.357 -6.858 1.00 0.00 C ATOM 667 O ILE A 57 0.620 -7.519 -7.129 1.00 0.00 O ATOM 668 CB ILE A 57 1.368 -4.674 -8.637 1.00 0.00 C ATOM 669 CG1 ILE A 57 0.942 -3.313 -9.178 1.00 0.00 C ATOM 670 CG2 ILE A 57 1.546 -5.668 -9.769 1.00 0.00 C ATOM 671 CD1 ILE A 57 -0.539 -3.206 -9.452 1.00 0.00 C ATOM 0 H ILE A 57 0.503 -3.293 -6.750 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.557 -5.502 -8.162 1.00 0.00 H new ATOM 0 HB ILE A 57 2.327 -4.563 -8.131 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.227 -2.542 -8.462 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.489 -3.111 -10.099 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.281 -5.285 -10.477 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.892 -6.620 -9.366 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.593 -5.814 -10.278 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.767 -2.211 -9.834 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.827 -3.954 -10.191 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.093 -3.376 -8.529 1.00 0.00 H new ATOM 683 N SER A 58 1.777 -6.032 -5.889 1.00 0.00 N ATOM 684 CA SER A 58 2.417 -7.050 -5.063 1.00 0.00 C ATOM 685 C SER A 58 1.363 -7.895 -4.350 1.00 0.00 C ATOM 686 O SER A 58 1.386 -9.125 -4.417 1.00 0.00 O ATOM 687 CB SER A 58 3.345 -6.398 -4.037 1.00 0.00 C ATOM 688 OG SER A 58 4.294 -7.329 -3.542 1.00 0.00 O ATOM 0 H SER A 58 2.037 -5.074 -5.656 1.00 0.00 H new ATOM 0 HA SER A 58 3.009 -7.697 -5.711 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.863 -5.555 -4.494 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.756 -6.000 -3.211 1.00 0.00 H new ATOM 0 HG SER A 58 4.876 -6.887 -2.889 1.00 0.00 H new ATOM 694 N ILE A 59 0.432 -7.222 -3.678 1.00 0.00 N ATOM 695 CA ILE A 59 -0.639 -7.902 -2.963 1.00 0.00 C ATOM 696 C ILE A 59 -1.501 -8.710 -3.927 1.00 0.00 C ATOM 697 O ILE A 59 -1.709 -9.912 -3.737 1.00 0.00 O ATOM 698 CB ILE A 59 -1.531 -6.900 -2.201 1.00 0.00 C ATOM 699 CG1 ILE A 59 -0.679 -6.033 -1.269 1.00 0.00 C ATOM 700 CG2 ILE A 59 -2.612 -7.629 -1.415 1.00 0.00 C ATOM 701 CD1 ILE A 59 -1.475 -4.987 -0.518 1.00 0.00 C ATOM 0 H ILE A 59 0.400 -6.204 -3.615 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.172 -8.573 -2.243 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.020 -6.252 -2.928 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.172 -6.677 -0.550 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.095 -5.537 -1.855 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.229 -6.903 -0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.235 -8.204 -2.100 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.147 -8.303 -0.696 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.806 -4.411 0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.961 -4.319 -1.230 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.232 -5.476 0.095 1.00 0.00 H new ATOM 713 N ASP A 60 -1.992 -8.045 -4.968 1.00 0.00 N ATOM 714 CA ASP A 60 -2.822 -8.700 -5.973 1.00 0.00 C ATOM 715 C ASP A 60 -2.095 -9.907 -6.554 1.00 0.00 C ATOM 716 O ASP A 60 -2.715 -10.911 -6.912 1.00 0.00 O ATOM 717 CB ASP A 60 -3.183 -7.718 -7.090 1.00 0.00 C ATOM 718 CG ASP A 60 -4.504 -7.019 -6.841 1.00 0.00 C ATOM 719 OD1 ASP A 60 -4.605 -6.278 -5.840 1.00 0.00 O ATOM 720 OD2 ASP A 60 -5.439 -7.211 -7.647 1.00 0.00 O ATOM 0 H ASP A 60 -1.829 -7.052 -5.138 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.741 -9.039 -5.494 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.393 -6.973 -7.184 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.231 -8.253 -8.039 1.00 0.00 H new ATOM 725 N ALA A 61 -0.772 -9.802 -6.635 1.00 0.00 N ATOM 726 CA ALA A 61 0.048 -10.882 -7.161 1.00 0.00 C ATOM 727 C ALA A 61 -0.066 -12.122 -6.285 1.00 0.00 C ATOM 728 O ALA A 61 -0.294 -13.225 -6.782 1.00 0.00 O ATOM 729 CB ALA A 61 1.500 -10.439 -7.268 1.00 0.00 C ATOM 0 H ALA A 61 -0.247 -8.978 -6.342 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.315 -11.134 -8.158 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.102 -11.257 -7.663 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.570 -9.581 -7.937 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.869 -10.161 -6.281 1.00 0.00 H new ATOM 735 N LEU A 62 0.095 -11.939 -4.977 1.00 0.00 N ATOM 736 CA LEU A 62 0.009 -13.051 -4.042 1.00 0.00 C ATOM 737 C LEU A 62 -1.324 -13.772 -4.171 1.00 0.00 C ATOM 738 O LEU A 62 -1.355 -14.972 -4.431 1.00 0.00 O ATOM 739 CB LEU A 62 0.190 -12.553 -2.609 1.00 0.00 C ATOM 740 CG LEU A 62 1.634 -12.228 -2.230 1.00 0.00 C ATOM 741 CD1 LEU A 62 1.826 -10.727 -2.070 1.00 0.00 C ATOM 742 CD2 LEU A 62 2.033 -12.960 -0.956 1.00 0.00 C ATOM 0 H LEU A 62 0.285 -11.035 -4.545 1.00 0.00 H new ATOM 0 HA LEU A 62 0.807 -13.754 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.419 -11.660 -2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.191 -13.310 -1.924 1.00 0.00 H new ATOM 0 HG LEU A 62 2.282 -12.569 -3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.861 -10.519 -1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.589 -10.228 -3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.166 -10.357 -1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.065 -12.715 -0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.377 -12.655 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.943 -14.035 -1.111 1.00 0.00 H new ATOM 754 N MET A 63 -2.421 -13.033 -3.996 1.00 0.00 N ATOM 755 CA MET A 63 -3.762 -13.625 -4.095 1.00 0.00 C ATOM 756 C MET A 63 -3.875 -14.518 -5.327 1.00 0.00 C ATOM 757 O MET A 63 -4.253 -15.683 -5.224 1.00 0.00 O ATOM 758 CB MET A 63 -4.872 -12.556 -4.129 1.00 0.00 C ATOM 759 CG MET A 63 -4.411 -11.145 -4.478 1.00 0.00 C ATOM 760 SD MET A 63 -4.561 -9.985 -3.099 1.00 0.00 S ATOM 761 CE MET A 63 -4.207 -11.036 -1.689 1.00 0.00 C ATOM 0 H MET A 63 -2.412 -12.035 -3.787 1.00 0.00 H new ATOM 0 HA MET A 63 -3.902 -14.227 -3.197 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.626 -12.863 -4.853 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.358 -12.530 -3.154 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.371 -11.180 -4.804 1.00 0.00 H new ATOM 0 HG3 MET A 63 -4.997 -10.776 -5.320 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.090 -10.421 -0.797 1.00 0.00 H new ATOM 0 HE2 MET A 63 -5.029 -11.736 -1.542 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.286 -11.591 -1.871 1.00 0.00 H new ATOM 771 N ALA A 64 -3.538 -13.969 -6.487 1.00 0.00 N ATOM 772 CA ALA A 64 -3.596 -14.731 -7.726 1.00 0.00 C ATOM 773 C ALA A 64 -2.643 -15.921 -7.677 1.00 0.00 C ATOM 774 O ALA A 64 -2.841 -16.919 -8.370 1.00 0.00 O ATOM 775 CB ALA A 64 -3.266 -13.838 -8.912 1.00 0.00 C ATOM 0 H ALA A 64 -3.224 -13.005 -6.595 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.611 -15.111 -7.845 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.313 -14.422 -9.831 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.986 -13.021 -8.964 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.262 -13.430 -8.792 1.00 0.00 H new ATOM 781 N LYS A 65 -1.610 -15.812 -6.844 1.00 0.00 N ATOM 782 CA LYS A 65 -0.628 -16.878 -6.693 1.00 0.00 C ATOM 783 C LYS A 65 -1.132 -17.939 -5.725 1.00 0.00 C ATOM 784 O LYS A 65 -0.775 -19.112 -5.823 1.00 0.00 O ATOM 785 CB LYS A 65 0.705 -16.309 -6.200 1.00 0.00 C ATOM 786 CG LYS A 65 1.628 -15.870 -7.323 1.00 0.00 C ATOM 787 CD LYS A 65 2.460 -14.661 -6.921 1.00 0.00 C ATOM 788 CE LYS A 65 3.742 -15.077 -6.219 1.00 0.00 C ATOM 789 NZ LYS A 65 4.515 -13.900 -5.732 1.00 0.00 N ATOM 0 H LYS A 65 -1.433 -14.993 -6.263 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.475 -17.341 -7.668 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.509 -15.458 -5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.212 -17.062 -5.597 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.289 -16.693 -7.595 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.038 -15.629 -8.207 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.703 -14.074 -7.807 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.875 -14.018 -6.263 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.501 -15.727 -5.378 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.359 -15.658 -6.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.508 -13.991 -6.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.112 -13.030 -6.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.465 -13.857 -4.694 1.00 0.00 H new ATOM 803 N ILE A 66 -1.959 -17.513 -4.780 1.00 0.00 N ATOM 804 CA ILE A 66 -2.506 -18.422 -3.783 1.00 0.00 C ATOM 805 C ILE A 66 -3.563 -19.333 -4.392 1.00 0.00 C ATOM 806 O ILE A 66 -3.690 -20.497 -4.010 1.00 0.00 O ATOM 807 CB ILE A 66 -3.128 -17.673 -2.590 1.00 0.00 C ATOM 808 CG1 ILE A 66 -2.455 -16.321 -2.377 1.00 0.00 C ATOM 809 CG2 ILE A 66 -3.024 -18.517 -1.336 1.00 0.00 C ATOM 810 CD1 ILE A 66 -0.952 -16.398 -2.187 1.00 0.00 C ATOM 0 H ILE A 66 -2.265 -16.545 -4.683 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.667 -19.017 -3.423 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.180 -17.492 -2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.669 -15.682 -3.234 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.896 -15.842 -1.503 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.466 -17.979 -0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.555 -19.457 -1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.975 -18.723 -1.122 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.552 -15.395 -2.042 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.727 -17.009 -1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.496 -16.846 -3.070 1.00 0.00 H new ATOM 822 N LYS A 67 -4.329 -18.791 -5.333 1.00 0.00 N ATOM 823 CA LYS A 67 -5.388 -19.550 -5.988 1.00 0.00 C ATOM 824 C LYS A 67 -4.912 -20.155 -7.307 1.00 0.00 C ATOM 825 O LYS A 67 -5.445 -21.170 -7.759 1.00 0.00 O ATOM 826 CB LYS A 67 -6.603 -18.654 -6.237 1.00 0.00 C ATOM 827 CG LYS A 67 -7.928 -19.326 -5.917 1.00 0.00 C ATOM 828 CD LYS A 67 -8.266 -19.213 -4.439 1.00 0.00 C ATOM 829 CE LYS A 67 -9.183 -20.339 -3.989 1.00 0.00 C ATOM 830 NZ LYS A 67 -10.613 -19.926 -3.991 1.00 0.00 N ATOM 0 H LYS A 67 -4.236 -17.829 -5.659 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.669 -20.367 -5.324 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.508 -17.751 -5.634 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.606 -18.342 -7.281 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.721 -18.869 -6.509 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.882 -20.377 -6.202 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.348 -19.234 -3.852 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.745 -18.253 -4.247 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.053 -21.198 -4.647 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.899 -20.659 -2.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.205 -20.722 -3.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.743 -19.122 -3.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.892 -19.645 -4.953 1.00 0.00 H new ATOM 844 N SER A 68 -3.917 -19.530 -7.930 1.00 0.00 N ATOM 845 CA SER A 68 -3.395 -20.020 -9.203 1.00 0.00 C ATOM 846 C SER A 68 -2.030 -20.677 -9.037 1.00 0.00 C ATOM 847 O SER A 68 -1.266 -20.789 -9.995 1.00 0.00 O ATOM 848 CB SER A 68 -3.307 -18.879 -10.217 1.00 0.00 C ATOM 849 OG SER A 68 -4.368 -17.956 -10.043 1.00 0.00 O ATOM 0 H SER A 68 -3.459 -18.690 -7.578 1.00 0.00 H new ATOM 0 HA SER A 68 -4.088 -20.776 -9.572 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.352 -18.365 -10.108 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.336 -19.285 -11.228 1.00 0.00 H new ATOM 0 HG SER A 68 -4.045 -17.177 -9.544 1.00 0.00 H new ATOM 855 N THR A 69 -1.735 -21.116 -7.820 1.00 0.00 N ATOM 856 CA THR A 69 -0.468 -21.774 -7.516 1.00 0.00 C ATOM 857 C THR A 69 -0.379 -22.121 -6.034 1.00 0.00 C ATOM 858 O THR A 69 -1.036 -21.499 -5.198 1.00 0.00 O ATOM 859 CB THR A 69 0.712 -20.885 -7.915 1.00 0.00 C ATOM 860 OG1 THR A 69 0.344 -19.515 -7.906 1.00 0.00 O ATOM 861 CG2 THR A 69 1.254 -21.213 -9.286 1.00 0.00 C ATOM 0 H THR A 69 -2.362 -21.028 -7.020 1.00 0.00 H new ATOM 0 HA THR A 69 -0.424 -22.697 -8.094 1.00 0.00 H new ATOM 0 HB THR A 69 1.488 -21.079 -7.175 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.458 -19.152 -7.003 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.089 -20.551 -9.515 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.596 -22.248 -9.304 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.469 -21.077 -10.030 1.00 0.00 H new ATOM 869 N MET A 70 0.438 -23.119 -5.714 1.00 0.00 N ATOM 870 CA MET A 70 0.615 -23.550 -4.332 1.00 0.00 C ATOM 871 C MET A 70 1.625 -22.663 -3.613 1.00 0.00 C ATOM 872 O MET A 70 2.749 -23.082 -3.335 1.00 0.00 O ATOM 873 CB MET A 70 1.069 -25.010 -4.286 1.00 0.00 C ATOM 874 CG MET A 70 -0.069 -25.997 -4.084 1.00 0.00 C ATOM 875 SD MET A 70 0.479 -27.548 -3.344 1.00 0.00 S ATOM 876 CE MET A 70 0.605 -27.073 -1.622 1.00 0.00 C ATOM 0 H MET A 70 0.988 -23.645 -6.393 1.00 0.00 H new ATOM 0 HA MET A 70 -0.344 -23.462 -3.822 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.586 -25.250 -5.215 1.00 0.00 H new ATOM 0 HB3 MET A 70 1.791 -25.132 -3.479 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.829 -25.544 -3.447 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.540 -26.204 -5.045 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.419 -27.625 -1.151 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.804 -26.004 -1.553 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.331 -27.301 -1.112 1.00 0.00 H new ATOM 886 N MET A 71 1.217 -21.435 -3.312 1.00 0.00 N ATOM 887 CA MET A 71 2.087 -20.487 -2.625 1.00 0.00 C ATOM 888 C MET A 71 2.340 -20.923 -1.185 1.00 0.00 C ATOM 889 O MET A 71 1.412 -21.302 -0.469 1.00 0.00 O ATOM 890 CB MET A 71 1.469 -19.086 -2.649 1.00 0.00 C ATOM 891 CG MET A 71 2.180 -18.127 -3.588 1.00 0.00 C ATOM 892 SD MET A 71 3.905 -17.864 -3.136 1.00 0.00 S ATOM 893 CE MET A 71 3.893 -16.114 -2.756 1.00 0.00 C ATOM 0 H MET A 71 0.289 -21.073 -3.533 1.00 0.00 H new ATOM 0 HA MET A 71 3.043 -20.463 -3.149 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.423 -19.164 -2.945 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.485 -18.673 -1.640 1.00 0.00 H new ATOM 0 HG2 MET A 71 2.130 -18.516 -4.605 1.00 0.00 H new ATOM 0 HG3 MET A 71 1.658 -17.170 -3.587 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.573 -15.591 -3.429 1.00 0.00 H new ATOM 0 HE2 MET A 71 2.884 -15.721 -2.882 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.215 -15.963 -1.726 1.00 0.00 H new ATOM 903 N THR A 72 3.600 -20.866 -0.769 1.00 0.00 N ATOM 904 CA THR A 72 3.975 -21.253 0.586 1.00 0.00 C ATOM 905 C THR A 72 3.757 -20.098 1.557 1.00 0.00 C ATOM 906 O THR A 72 4.056 -18.947 1.244 1.00 0.00 O ATOM 907 CB THR A 72 5.438 -21.699 0.624 1.00 0.00 C ATOM 908 OG1 THR A 72 5.837 -22.218 -0.633 1.00 0.00 O ATOM 909 CG2 THR A 72 5.714 -22.759 1.668 1.00 0.00 C ATOM 0 H THR A 72 4.379 -20.556 -1.350 1.00 0.00 H new ATOM 0 HA THR A 72 3.342 -22.086 0.891 1.00 0.00 H new ATOM 0 HB THR A 72 6.006 -20.805 0.880 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.776 -22.496 -0.589 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.769 -23.030 1.641 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.464 -22.371 2.655 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.108 -23.641 1.460 1.00 0.00 H new ATOM 917 N ARG A 73 3.236 -20.414 2.738 1.00 0.00 N ATOM 918 CA ARG A 73 2.976 -19.401 3.757 1.00 0.00 C ATOM 919 C ARG A 73 4.234 -18.590 4.052 1.00 0.00 C ATOM 920 O ARG A 73 4.159 -17.406 4.381 1.00 0.00 O ATOM 921 CB ARG A 73 2.465 -20.061 5.041 1.00 0.00 C ATOM 922 CG ARG A 73 1.312 -19.312 5.692 1.00 0.00 C ATOM 923 CD ARG A 73 0.175 -20.250 6.066 1.00 0.00 C ATOM 924 NE ARG A 73 0.224 -20.637 7.474 1.00 0.00 N ATOM 925 CZ ARG A 73 -0.742 -21.313 8.090 1.00 0.00 C ATOM 926 NH1 ARG A 73 -1.832 -21.680 7.428 1.00 0.00 N ATOM 927 NH2 ARG A 73 -0.618 -21.625 9.373 1.00 0.00 N ATOM 0 H ARG A 73 2.985 -21.363 3.014 1.00 0.00 H new ATOM 0 HA ARG A 73 2.212 -18.724 3.376 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.145 -21.078 4.815 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.287 -20.136 5.753 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.669 -18.798 6.585 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.943 -18.546 5.009 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.778 -19.765 5.856 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.222 -21.143 5.443 1.00 0.00 H new ATOM 0 HE ARG A 73 1.047 -20.374 8.016 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.933 -21.444 6.441 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.569 -22.198 7.906 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.218 -21.347 9.887 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.358 -22.143 9.846 1.00 0.00 H new ATOM 941 N GLU A 74 5.390 -19.234 3.927 1.00 0.00 N ATOM 942 CA GLU A 74 6.664 -18.568 4.176 1.00 0.00 C ATOM 943 C GLU A 74 6.854 -17.396 3.219 1.00 0.00 C ATOM 944 O GLU A 74 7.286 -16.316 3.622 1.00 0.00 O ATOM 945 CB GLU A 74 7.819 -19.562 4.024 1.00 0.00 C ATOM 946 CG GLU A 74 8.935 -19.354 5.036 1.00 0.00 C ATOM 947 CD GLU A 74 9.185 -20.582 5.892 1.00 0.00 C ATOM 948 OE1 GLU A 74 9.900 -21.493 5.426 1.00 0.00 O ATOM 949 OE2 GLU A 74 8.663 -20.631 7.026 1.00 0.00 O ATOM 0 H GLU A 74 5.471 -20.214 3.655 1.00 0.00 H new ATOM 0 HA GLU A 74 6.658 -18.185 5.196 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.431 -20.576 4.126 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.231 -19.477 3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.852 -19.090 4.510 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.683 -18.512 5.681 1.00 0.00 H new ATOM 956 N GLN A 75 6.523 -17.617 1.950 1.00 0.00 N ATOM 957 CA GLN A 75 6.652 -16.579 0.935 1.00 0.00 C ATOM 958 C GLN A 75 5.648 -15.457 1.181 1.00 0.00 C ATOM 959 O GLN A 75 5.915 -14.295 0.873 1.00 0.00 O ATOM 960 CB GLN A 75 6.443 -17.172 -0.460 1.00 0.00 C ATOM 961 CG GLN A 75 7.581 -18.071 -0.915 1.00 0.00 C ATOM 962 CD GLN A 75 7.310 -18.718 -2.259 1.00 0.00 C ATOM 963 OE1 GLN A 75 6.886 -18.055 -3.206 1.00 0.00 O ATOM 964 NE2 GLN A 75 7.553 -20.020 -2.349 1.00 0.00 N ATOM 0 H GLN A 75 6.164 -18.506 1.601 1.00 0.00 H new ATOM 0 HA GLN A 75 7.658 -16.164 0.997 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.515 -17.743 -0.468 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.324 -16.360 -1.177 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.499 -17.487 -0.976 1.00 0.00 H new ATOM 0 HG3 GLN A 75 7.746 -18.848 -0.168 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.904 -20.530 -1.539 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.389 -20.510 -3.228 1.00 0.00 H new ATOM 973 N ILE A 76 4.495 -15.812 1.739 1.00 0.00 N ATOM 974 CA ILE A 76 3.453 -14.835 2.030 1.00 0.00 C ATOM 975 C ILE A 76 3.854 -13.946 3.202 1.00 0.00 C ATOM 976 O ILE A 76 3.579 -12.746 3.208 1.00 0.00 O ATOM 977 CB ILE A 76 2.110 -15.518 2.355 1.00 0.00 C ATOM 978 CG1 ILE A 76 1.771 -16.565 1.292 1.00 0.00 C ATOM 979 CG2 ILE A 76 1.000 -14.483 2.458 1.00 0.00 C ATOM 980 CD1 ILE A 76 1.601 -15.986 -0.096 1.00 0.00 C ATOM 0 H ILE A 76 4.259 -16.770 1.999 1.00 0.00 H new ATOM 0 HA ILE A 76 3.331 -14.226 1.134 1.00 0.00 H new ATOM 0 HB ILE A 76 2.202 -16.022 3.317 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.561 -17.316 1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.852 -17.077 1.578 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.058 -14.981 2.688 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.237 -13.772 3.250 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.908 -13.953 1.510 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.362 -16.786 -0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.792 -15.256 -0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.527 -15.499 -0.403 1.00 0.00 H new ATOM 992 N GLN A 77 4.507 -14.545 4.194 1.00 0.00 N ATOM 993 CA GLN A 77 4.948 -13.811 5.375 1.00 0.00 C ATOM 994 C GLN A 77 6.005 -12.774 5.008 1.00 0.00 C ATOM 995 O GLN A 77 5.880 -11.599 5.354 1.00 0.00 O ATOM 996 CB GLN A 77 5.508 -14.777 6.422 1.00 0.00 C ATOM 997 CG GLN A 77 5.216 -14.359 7.855 1.00 0.00 C ATOM 998 CD GLN A 77 5.946 -13.093 8.255 1.00 0.00 C ATOM 999 OE1 GLN A 77 7.133 -13.122 8.578 1.00 0.00 O ATOM 1000 NE2 GLN A 77 5.237 -11.970 8.236 1.00 0.00 N ATOM 0 H GLN A 77 4.742 -15.537 4.203 1.00 0.00 H new ATOM 0 HA GLN A 77 4.085 -13.292 5.793 1.00 0.00 H new ATOM 0 HB2 GLN A 77 5.090 -15.769 6.249 1.00 0.00 H new ATOM 0 HB3 GLN A 77 6.587 -14.858 6.289 1.00 0.00 H new ATOM 0 HG2 GLN A 77 4.143 -14.208 7.974 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.501 -15.166 8.530 1.00 0.00 H new ATOM 0 HE21 GLN A 77 4.255 -11.992 7.962 1.00 0.00 H new ATOM 0 HE22 GLN A 77 5.675 -11.086 8.496 1.00 0.00 H new ATOM 1009 N LYS A 78 7.046 -13.215 4.308 1.00 0.00 N ATOM 1010 CA LYS A 78 8.122 -12.319 3.899 1.00 0.00 C ATOM 1011 C LYS A 78 7.589 -11.212 3.003 1.00 0.00 C ATOM 1012 O LYS A 78 7.859 -10.034 3.235 1.00 0.00 O ATOM 1013 CB LYS A 78 9.230 -13.095 3.184 1.00 0.00 C ATOM 1014 CG LYS A 78 10.623 -12.802 3.717 1.00 0.00 C ATOM 1015 CD LYS A 78 11.387 -11.864 2.798 1.00 0.00 C ATOM 1016 CE LYS A 78 12.789 -11.595 3.320 1.00 0.00 C ATOM 1017 NZ LYS A 78 12.866 -10.311 4.071 1.00 0.00 N ATOM 0 H LYS A 78 7.167 -14.184 4.013 1.00 0.00 H new ATOM 0 HA LYS A 78 8.543 -11.864 4.796 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.032 -14.163 3.277 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.200 -12.857 2.121 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.548 -12.358 4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.175 -13.735 3.826 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.446 -12.298 1.800 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.845 -10.923 2.705 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.098 -12.414 3.969 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.489 -11.569 2.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.838 -10.165 4.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.596 -9.526 3.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.218 -10.345 4.883 1.00 0.00 H new ATOM 1031 N GLU A 79 6.810 -11.584 1.991 1.00 0.00 N ATOM 1032 CA GLU A 79 6.232 -10.593 1.095 1.00 0.00 C ATOM 1033 C GLU A 79 5.431 -9.595 1.912 1.00 0.00 C ATOM 1034 O GLU A 79 5.380 -8.406 1.595 1.00 0.00 O ATOM 1035 CB GLU A 79 5.345 -11.259 0.041 1.00 0.00 C ATOM 1036 CG GLU A 79 6.127 -11.892 -1.099 1.00 0.00 C ATOM 1037 CD GLU A 79 5.357 -11.891 -2.405 1.00 0.00 C ATOM 1038 OE1 GLU A 79 4.983 -10.794 -2.872 1.00 0.00 O ATOM 1039 OE2 GLU A 79 5.125 -12.986 -2.959 1.00 0.00 O ATOM 0 H GLU A 79 6.568 -12.551 1.774 1.00 0.00 H new ATOM 0 HA GLU A 79 7.034 -10.075 0.570 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.736 -12.024 0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.660 -10.516 -0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.065 -11.354 -1.234 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.383 -12.918 -0.833 1.00 0.00 H new ATOM 1046 N TYR A 80 4.842 -10.085 2.999 1.00 0.00 N ATOM 1047 CA TYR A 80 4.088 -9.230 3.895 1.00 0.00 C ATOM 1048 C TYR A 80 5.042 -8.229 4.524 1.00 0.00 C ATOM 1049 O TYR A 80 4.695 -7.067 4.736 1.00 0.00 O ATOM 1050 CB TYR A 80 3.398 -10.060 4.979 1.00 0.00 C ATOM 1051 CG TYR A 80 2.184 -9.384 5.577 1.00 0.00 C ATOM 1052 CD1 TYR A 80 2.300 -8.173 6.248 1.00 0.00 C ATOM 1053 CD2 TYR A 80 0.924 -9.956 5.469 1.00 0.00 C ATOM 1054 CE1 TYR A 80 1.192 -7.552 6.795 1.00 0.00 C ATOM 1055 CE2 TYR A 80 -0.188 -9.341 6.012 1.00 0.00 C ATOM 1056 CZ TYR A 80 -0.048 -8.141 6.674 1.00 0.00 C ATOM 1057 OH TYR A 80 -1.153 -7.525 7.217 1.00 0.00 O ATOM 0 H TYR A 80 4.875 -11.066 3.275 1.00 0.00 H new ATOM 0 HA TYR A 80 3.314 -8.705 3.335 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.098 -11.019 4.555 1.00 0.00 H new ATOM 0 HB3 TYR A 80 4.114 -10.272 5.773 1.00 0.00 H new ATOM 0 HD1 TYR A 80 3.271 -7.709 6.344 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.811 -10.897 4.952 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.298 -6.611 7.314 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -1.162 -9.799 5.918 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.022 -6.554 7.212 1.00 0.00 H new ATOM 1067 N ASP A 81 6.267 -8.689 4.794 1.00 0.00 N ATOM 1068 CA ASP A 81 7.288 -7.830 5.371 1.00 0.00 C ATOM 1069 C ASP A 81 7.734 -6.793 4.352 1.00 0.00 C ATOM 1070 O ASP A 81 7.981 -5.639 4.697 1.00 0.00 O ATOM 1071 CB ASP A 81 8.485 -8.659 5.843 1.00 0.00 C ATOM 1072 CG ASP A 81 9.242 -7.990 6.972 1.00 0.00 C ATOM 1073 OD1 ASP A 81 10.038 -7.069 6.689 1.00 0.00 O ATOM 1074 OD2 ASP A 81 9.044 -8.388 8.139 1.00 0.00 O ATOM 0 H ASP A 81 6.569 -9.648 4.621 1.00 0.00 H new ATOM 0 HA ASP A 81 6.864 -7.317 6.234 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.138 -9.638 6.172 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.161 -8.826 5.005 1.00 0.00 H new ATOM 1079 N ALA A 82 7.821 -7.201 3.085 1.00 0.00 N ATOM 1080 CA ALA A 82 8.217 -6.280 2.029 1.00 0.00 C ATOM 1081 C ALA A 82 7.230 -5.127 1.959 1.00 0.00 C ATOM 1082 O ALA A 82 7.606 -3.979 1.715 1.00 0.00 O ATOM 1083 CB ALA A 82 8.297 -7.002 0.692 1.00 0.00 C ATOM 0 H ALA A 82 7.625 -8.152 2.772 1.00 0.00 H new ATOM 0 HA ALA A 82 9.207 -5.884 2.256 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.594 -6.297 -0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.032 -7.804 0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.322 -7.422 0.447 1.00 0.00 H new ATOM 1089 N LEU A 83 5.962 -5.442 2.200 1.00 0.00 N ATOM 1090 CA LEU A 83 4.909 -4.441 2.193 1.00 0.00 C ATOM 1091 C LEU A 83 4.964 -3.617 3.475 1.00 0.00 C ATOM 1092 O LEU A 83 4.614 -2.437 3.481 1.00 0.00 O ATOM 1093 CB LEU A 83 3.540 -5.106 2.051 1.00 0.00 C ATOM 1094 CG LEU A 83 3.223 -5.642 0.652 1.00 0.00 C ATOM 1095 CD1 LEU A 83 2.526 -6.991 0.741 1.00 0.00 C ATOM 1096 CD2 LEU A 83 2.367 -4.649 -0.118 1.00 0.00 C ATOM 0 H LEU A 83 5.640 -6.388 2.403 1.00 0.00 H new ATOM 0 HA LEU A 83 5.062 -3.780 1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.477 -5.930 2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.772 -4.385 2.330 1.00 0.00 H new ATOM 0 HG LEU A 83 4.162 -5.776 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.309 -7.355 -0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.174 -7.702 1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.595 -6.883 1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.152 -5.047 -1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.432 -4.483 0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.903 -3.705 -0.214 1.00 0.00 H new ATOM 1108 N VAL A 84 5.417 -4.246 4.559 1.00 0.00 N ATOM 1109 CA VAL A 84 5.527 -3.563 5.841 1.00 0.00 C ATOM 1110 C VAL A 84 6.631 -2.512 5.792 1.00 0.00 C ATOM 1111 O VAL A 84 6.510 -1.444 6.392 1.00 0.00 O ATOM 1112 CB VAL A 84 5.812 -4.553 6.989 1.00 0.00 C ATOM 1113 CG1 VAL A 84 5.919 -3.818 8.319 1.00 0.00 C ATOM 1114 CG2 VAL A 84 4.733 -5.625 7.051 1.00 0.00 C ATOM 0 H VAL A 84 5.712 -5.222 4.572 1.00 0.00 H new ATOM 0 HA VAL A 84 4.570 -3.079 6.034 1.00 0.00 H new ATOM 0 HB VAL A 84 6.767 -5.040 6.792 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.120 -4.534 9.115 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.731 -3.093 8.270 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.982 -3.300 8.525 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.951 -6.314 7.867 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.764 -5.156 7.221 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.710 -6.173 6.109 1.00 0.00 H new ATOM 1124 N LYS A 85 7.705 -2.818 5.067 1.00 0.00 N ATOM 1125 CA LYS A 85 8.821 -1.890 4.936 1.00 0.00 C ATOM 1126 C LYS A 85 8.431 -0.716 4.049 1.00 0.00 C ATOM 1127 O LYS A 85 8.627 0.446 4.409 1.00 0.00 O ATOM 1128 CB LYS A 85 10.045 -2.604 4.359 1.00 0.00 C ATOM 1129 CG LYS A 85 11.171 -2.789 5.365 1.00 0.00 C ATOM 1130 CD LYS A 85 11.062 -4.123 6.085 1.00 0.00 C ATOM 1131 CE LYS A 85 11.427 -3.994 7.555 1.00 0.00 C ATOM 1132 NZ LYS A 85 10.382 -3.262 8.323 1.00 0.00 N ATOM 0 H LYS A 85 7.824 -3.698 4.564 1.00 0.00 H new ATOM 0 HA LYS A 85 9.074 -1.512 5.927 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.742 -3.581 3.982 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.419 -2.036 3.507 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.131 -2.728 4.853 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.146 -1.978 6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.045 -4.505 5.994 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.720 -4.850 5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.564 -4.987 7.984 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.379 -3.472 7.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.521 -3.424 9.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.453 -2.244 8.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.441 -3.606 8.043 1.00 0.00 H new ATOM 1146 N SER A 86 7.863 -1.028 2.891 1.00 0.00 N ATOM 1147 CA SER A 86 7.428 -0.002 1.951 1.00 0.00 C ATOM 1148 C SER A 86 6.298 0.821 2.556 1.00 0.00 C ATOM 1149 O SER A 86 6.266 2.045 2.426 1.00 0.00 O ATOM 1150 CB SER A 86 6.970 -0.639 0.638 1.00 0.00 C ATOM 1151 OG SER A 86 6.069 -1.707 0.875 1.00 0.00 O ATOM 0 H SER A 86 7.693 -1.984 2.580 1.00 0.00 H new ATOM 0 HA SER A 86 8.271 0.656 1.743 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.490 0.114 0.013 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.836 -1.005 0.087 1.00 0.00 H new ATOM 0 HG SER A 86 6.574 -2.528 1.054 1.00 0.00 H new ATOM 1157 N SER A 87 5.377 0.136 3.226 1.00 0.00 N ATOM 1158 CA SER A 87 4.244 0.797 3.862 1.00 0.00 C ATOM 1159 C SER A 87 4.719 1.718 4.979 1.00 0.00 C ATOM 1160 O SER A 87 4.338 2.886 5.037 1.00 0.00 O ATOM 1161 CB SER A 87 3.269 -0.240 4.418 1.00 0.00 C ATOM 1162 OG SER A 87 2.590 -0.915 3.374 1.00 0.00 O ATOM 0 H SER A 87 5.393 -0.877 3.342 1.00 0.00 H new ATOM 0 HA SER A 87 3.731 1.397 3.110 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.811 -0.962 5.029 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.545 0.250 5.069 1.00 0.00 H new ATOM 0 HG SER A 87 2.986 -1.802 3.246 1.00 0.00 H new ATOM 1168 N GLU A 88 5.560 1.184 5.863 1.00 0.00 N ATOM 1169 CA GLU A 88 6.091 1.961 6.978 1.00 0.00 C ATOM 1170 C GLU A 88 6.703 3.268 6.481 1.00 0.00 C ATOM 1171 O GLU A 88 6.513 4.324 7.085 1.00 0.00 O ATOM 1172 CB GLU A 88 7.140 1.149 7.741 1.00 0.00 C ATOM 1173 CG GLU A 88 6.587 0.443 8.968 1.00 0.00 C ATOM 1174 CD GLU A 88 6.168 1.412 10.057 1.00 0.00 C ATOM 1175 OE1 GLU A 88 6.904 2.393 10.295 1.00 0.00 O ATOM 1176 OE2 GLU A 88 5.104 1.189 10.673 1.00 0.00 O ATOM 0 H GLU A 88 5.887 0.218 5.828 1.00 0.00 H new ATOM 0 HA GLU A 88 5.267 2.197 7.652 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.573 0.408 7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.949 1.812 8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.730 -0.165 8.678 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.342 -0.237 9.362 1.00 0.00 H new ATOM 1183 N ASP A 89 7.431 3.184 5.375 1.00 0.00 N ATOM 1184 CA ASP A 89 8.067 4.357 4.789 1.00 0.00 C ATOM 1185 C ASP A 89 7.023 5.295 4.191 1.00 0.00 C ATOM 1186 O ASP A 89 7.213 6.512 4.162 1.00 0.00 O ATOM 1187 CB ASP A 89 9.071 3.936 3.713 1.00 0.00 C ATOM 1188 CG ASP A 89 10.310 4.809 3.706 1.00 0.00 C ATOM 1189 OD1 ASP A 89 10.225 5.955 3.216 1.00 0.00 O ATOM 1190 OD2 ASP A 89 11.364 4.348 4.189 1.00 0.00 O ATOM 0 H ASP A 89 7.596 2.316 4.866 1.00 0.00 H new ATOM 0 HA ASP A 89 8.597 4.888 5.580 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.362 2.898 3.877 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.592 3.982 2.735 1.00 0.00 H new ATOM 1195 N LEU A 90 5.920 4.722 3.717 1.00 0.00 N ATOM 1196 CA LEU A 90 4.847 5.509 3.121 1.00 0.00 C ATOM 1197 C LEU A 90 4.204 6.424 4.157 1.00 0.00 C ATOM 1198 O LEU A 90 4.031 7.620 3.921 1.00 0.00 O ATOM 1199 CB LEU A 90 3.790 4.588 2.508 1.00 0.00 C ATOM 1200 CG LEU A 90 2.566 5.298 1.928 1.00 0.00 C ATOM 1201 CD1 LEU A 90 2.078 4.586 0.676 1.00 0.00 C ATOM 1202 CD2 LEU A 90 1.456 5.377 2.966 1.00 0.00 C ATOM 0 H LEU A 90 5.747 3.717 3.734 1.00 0.00 H new ATOM 0 HA LEU A 90 5.278 6.128 2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.257 4.000 1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.455 3.886 3.272 1.00 0.00 H new ATOM 0 HG LEU A 90 2.854 6.313 1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.207 5.106 0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.871 4.581 -0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.806 3.560 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.592 5.885 2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.170 4.370 3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.809 5.932 3.835 1.00 0.00 H new ATOM 1214 N LEU A 91 3.858 5.856 5.306 1.00 0.00 N ATOM 1215 CA LEU A 91 3.241 6.628 6.380 1.00 0.00 C ATOM 1216 C LEU A 91 4.195 7.711 6.855 1.00 0.00 C ATOM 1217 O LEU A 91 3.825 8.880 6.965 1.00 0.00 O ATOM 1218 CB LEU A 91 2.860 5.728 7.557 1.00 0.00 C ATOM 1219 CG LEU A 91 2.360 4.339 7.174 1.00 0.00 C ATOM 1220 CD1 LEU A 91 2.146 3.485 8.413 1.00 0.00 C ATOM 1221 CD2 LEU A 91 1.078 4.440 6.363 1.00 0.00 C ATOM 0 H LEU A 91 3.993 4.868 5.519 1.00 0.00 H new ATOM 0 HA LEU A 91 2.333 7.086 5.988 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.729 5.618 8.206 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.087 6.227 8.141 1.00 0.00 H new ATOM 0 HG LEU A 91 3.119 3.858 6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.789 2.498 8.118 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.088 3.384 8.952 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.407 3.960 9.059 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.735 3.440 6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.312 4.941 6.954 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.266 5.011 5.454 1.00 0.00 H new ATOM 1233 N SER A 92 5.428 7.306 7.128 1.00 0.00 N ATOM 1234 CA SER A 92 6.455 8.235 7.587 1.00 0.00 C ATOM 1235 C SER A 92 6.634 9.377 6.591 1.00 0.00 C ATOM 1236 O SER A 92 6.975 10.497 6.971 1.00 0.00 O ATOM 1237 CB SER A 92 7.785 7.504 7.783 1.00 0.00 C ATOM 1238 OG SER A 92 7.587 6.239 8.386 1.00 0.00 O ATOM 0 H SER A 92 5.743 6.340 7.040 1.00 0.00 H new ATOM 0 HA SER A 92 6.134 8.651 8.542 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.280 7.378 6.820 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.447 8.107 8.405 1.00 0.00 H new ATOM 0 HG SER A 92 7.472 5.559 7.690 1.00 0.00 H new ATOM 1244 N ALA A 93 6.400 9.084 5.314 1.00 0.00 N ATOM 1245 CA ALA A 93 6.533 10.085 4.263 1.00 0.00 C ATOM 1246 C ALA A 93 5.429 11.133 4.358 1.00 0.00 C ATOM 1247 O ALA A 93 5.695 12.335 4.401 1.00 0.00 O ATOM 1248 CB ALA A 93 6.510 9.415 2.897 1.00 0.00 C ATOM 0 H ALA A 93 6.117 8.161 4.984 1.00 0.00 H new ATOM 0 HA ALA A 93 7.489 10.592 4.395 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.610 10.172 2.119 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.337 8.708 2.824 1.00 0.00 H new ATOM 0 HB3 ALA A 93 5.567 8.884 2.768 1.00 0.00 H new ATOM 1254 N LEU A 94 4.187 10.669 4.389 1.00 0.00 N ATOM 1255 CA LEU A 94 3.040 11.563 4.477 1.00 0.00 C ATOM 1256 C LEU A 94 3.074 12.371 5.768 1.00 0.00 C ATOM 1257 O LEU A 94 2.850 13.580 5.763 1.00 0.00 O ATOM 1258 CB LEU A 94 1.738 10.766 4.394 1.00 0.00 C ATOM 1259 CG LEU A 94 1.655 9.779 3.228 1.00 0.00 C ATOM 1260 CD1 LEU A 94 0.880 8.536 3.634 1.00 0.00 C ATOM 1261 CD2 LEU A 94 1.014 10.438 2.017 1.00 0.00 C ATOM 0 H LEU A 94 3.948 9.678 4.354 1.00 0.00 H new ATOM 0 HA LEU A 94 3.088 12.256 3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.607 10.216 5.326 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.906 11.466 4.317 1.00 0.00 H new ATOM 0 HG LEU A 94 2.668 9.478 2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.832 7.846 2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.382 8.052 4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.130 8.818 3.930 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.963 9.721 1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.007 10.769 2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.611 11.297 1.711 1.00 0.00 H new ATOM 1273 N GLN A 95 3.352 11.692 6.872 1.00 0.00 N ATOM 1274 CA GLN A 95 3.410 12.345 8.175 1.00 0.00 C ATOM 1275 C GLN A 95 4.508 13.401 8.214 1.00 0.00 C ATOM 1276 O GLN A 95 4.293 14.511 8.697 1.00 0.00 O ATOM 1277 CB GLN A 95 3.633 11.312 9.280 1.00 0.00 C ATOM 1278 CG GLN A 95 2.379 10.535 9.644 1.00 0.00 C ATOM 1279 CD GLN A 95 2.671 9.334 10.523 1.00 0.00 C ATOM 1280 OE1 GLN A 95 3.788 9.165 11.012 1.00 0.00 O ATOM 1281 NE2 GLN A 95 1.664 8.493 10.728 1.00 0.00 N ATOM 0 H GLN A 95 3.541 10.690 6.893 1.00 0.00 H new ATOM 0 HA GLN A 95 2.455 12.842 8.343 1.00 0.00 H new ATOM 0 HB2 GLN A 95 4.405 10.612 8.962 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.009 11.818 10.169 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.683 11.197 10.159 1.00 0.00 H new ATOM 0 HG3 GLN A 95 1.885 10.201 8.731 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.755 8.673 10.302 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.800 7.667 11.311 1.00 0.00 H new ATOM 1290 N LYS A 96 5.685 13.059 7.697 1.00 0.00 N ATOM 1291 CA LYS A 96 6.795 14.002 7.679 1.00 0.00 C ATOM 1292 C LYS A 96 6.431 15.228 6.846 1.00 0.00 C ATOM 1293 O LYS A 96 6.910 16.331 7.102 1.00 0.00 O ATOM 1294 CB LYS A 96 8.065 13.342 7.135 1.00 0.00 C ATOM 1295 CG LYS A 96 8.012 13.023 5.648 1.00 0.00 C ATOM 1296 CD LYS A 96 9.402 13.009 5.032 1.00 0.00 C ATOM 1297 CE LYS A 96 9.350 12.688 3.547 1.00 0.00 C ATOM 1298 NZ LYS A 96 10.044 11.408 3.229 1.00 0.00 N ATOM 0 H LYS A 96 5.892 12.147 7.290 1.00 0.00 H new ATOM 0 HA LYS A 96 6.992 14.319 8.703 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.913 14.000 7.324 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.247 12.420 7.687 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.537 12.053 5.499 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.394 13.762 5.138 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.876 13.979 5.179 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.020 12.271 5.543 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.310 12.627 3.225 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.810 13.500 2.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.985 11.226 2.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.042 11.475 3.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.589 10.629 3.746 1.00 0.00 H new ATOM 1312 N LYS A 97 5.570 15.022 5.851 1.00 0.00 N ATOM 1313 CA LYS A 97 5.132 16.108 4.982 1.00 0.00 C ATOM 1314 C LYS A 97 4.247 17.092 5.737 1.00 0.00 C ATOM 1315 O LYS A 97 4.546 18.284 5.809 1.00 0.00 O ATOM 1316 CB LYS A 97 4.369 15.554 3.778 1.00 0.00 C ATOM 1317 CG LYS A 97 5.270 15.004 2.687 1.00 0.00 C ATOM 1318 CD LYS A 97 4.570 14.999 1.336 1.00 0.00 C ATOM 1319 CE LYS A 97 3.993 13.630 1.010 1.00 0.00 C ATOM 1320 NZ LYS A 97 4.674 13.004 -0.157 1.00 0.00 N ATOM 0 H LYS A 97 5.163 14.113 5.628 1.00 0.00 H new ATOM 0 HA LYS A 97 6.021 16.634 4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 97 3.698 14.764 4.116 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.746 16.344 3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 97 6.177 15.605 2.626 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.576 13.990 2.943 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.771 15.741 1.337 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.276 15.292 0.559 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.090 12.979 1.879 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.928 13.726 0.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.912 12.017 0.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.041 13.028 -0.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.545 13.529 -0.373 1.00 0.00 H new ATOM 1334 N LYS A 98 3.150 16.586 6.289 1.00 0.00 N ATOM 1335 CA LYS A 98 2.214 17.429 7.028 1.00 0.00 C ATOM 1336 C LYS A 98 2.891 18.113 8.212 1.00 0.00 C ATOM 1337 O LYS A 98 2.787 19.328 8.379 1.00 0.00 O ATOM 1338 CB LYS A 98 1.005 16.625 7.514 1.00 0.00 C ATOM 1339 CG LYS A 98 1.348 15.257 8.078 1.00 0.00 C ATOM 1340 CD LYS A 98 0.404 14.196 7.544 1.00 0.00 C ATOM 1341 CE LYS A 98 0.017 13.195 8.623 1.00 0.00 C ATOM 1342 NZ LYS A 98 -1.449 12.930 8.636 1.00 0.00 N ATOM 0 H LYS A 98 2.887 15.602 6.240 1.00 0.00 H new ATOM 0 HA LYS A 98 1.867 18.198 6.338 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.485 17.201 8.280 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.310 16.499 6.684 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.375 15.000 7.818 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.292 15.284 9.166 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.494 14.672 7.150 1.00 0.00 H new ATOM 0 HD3 LYS A 98 0.877 13.672 6.714 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.553 12.260 8.460 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.326 13.574 9.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.671 12.243 9.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.961 13.817 8.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.740 12.544 7.715 1.00 0.00 H new ATOM 1356 N GLN A 99 3.582 17.329 9.033 1.00 0.00 N ATOM 1357 CA GLN A 99 4.270 17.870 10.202 1.00 0.00 C ATOM 1358 C GLN A 99 5.264 18.958 9.802 1.00 0.00 C ATOM 1359 O GLN A 99 5.391 19.975 10.483 1.00 0.00 O ATOM 1360 CB GLN A 99 4.989 16.753 10.965 1.00 0.00 C ATOM 1361 CG GLN A 99 6.239 16.239 10.268 1.00 0.00 C ATOM 1362 CD GLN A 99 6.914 15.120 11.039 1.00 0.00 C ATOM 1363 OE1 GLN A 99 6.274 14.140 11.419 1.00 0.00 O ATOM 1364 NE2 GLN A 99 8.213 15.261 11.272 1.00 0.00 N ATOM 0 H GLN A 99 3.681 16.321 8.912 1.00 0.00 H new ATOM 0 HA GLN A 99 3.520 18.317 10.854 1.00 0.00 H new ATOM 0 HB2 GLN A 99 5.261 17.119 11.955 1.00 0.00 H new ATOM 0 HB3 GLN A 99 4.298 15.923 11.111 1.00 0.00 H new ATOM 0 HG2 GLN A 99 5.976 15.883 9.272 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.942 17.061 10.137 1.00 0.00 H new ATOM 0 HE21 GLN A 99 8.704 16.090 10.938 1.00 0.00 H new ATOM 0 HE22 GLN A 99 8.720 14.540 11.785 1.00 0.00 H new ATOM 1373 N GLN A 100 5.963 18.737 8.694 1.00 0.00 N ATOM 1374 CA GLN A 100 6.944 19.701 8.207 1.00 0.00 C ATOM 1375 C GLN A 100 6.285 21.046 7.918 1.00 0.00 C ATOM 1376 O GLN A 100 6.809 22.097 8.287 1.00 0.00 O ATOM 1377 CB GLN A 100 7.630 19.172 6.945 1.00 0.00 C ATOM 1378 CG GLN A 100 8.957 18.486 7.218 1.00 0.00 C ATOM 1379 CD GLN A 100 9.831 18.391 5.982 1.00 0.00 C ATOM 1380 OE1 GLN A 100 10.440 19.374 5.559 1.00 0.00 O ATOM 1381 NE2 GLN A 100 9.895 17.202 5.393 1.00 0.00 N ATOM 0 H GLN A 100 5.869 17.901 8.117 1.00 0.00 H new ATOM 0 HA GLN A 100 7.694 19.843 8.985 1.00 0.00 H new ATOM 0 HB2 GLN A 100 6.963 18.469 6.446 1.00 0.00 H new ATOM 0 HB3 GLN A 100 7.794 20.000 6.256 1.00 0.00 H new ATOM 0 HG2 GLN A 100 9.491 19.033 7.995 1.00 0.00 H new ATOM 0 HG3 GLN A 100 8.771 17.484 7.604 1.00 0.00 H new ATOM 0 HE21 GLN A 100 9.374 16.414 5.777 1.00 0.00 H new ATOM 0 HE22 GLN A 100 10.465 17.077 4.557 1.00 0.00 H new ATOM 1390 N GLU A 101 5.132 21.006 7.258 1.00 0.00 N ATOM 1391 CA GLU A 101 4.401 22.222 6.920 1.00 0.00 C ATOM 1392 C GLU A 101 5.261 23.158 6.076 1.00 0.00 C ATOM 1393 O GLU A 101 6.395 22.829 5.727 1.00 0.00 O ATOM 1394 CB GLU A 101 3.943 22.933 8.195 1.00 0.00 C ATOM 1395 CG GLU A 101 2.450 22.810 8.457 1.00 0.00 C ATOM 1396 CD GLU A 101 1.881 24.025 9.165 1.00 0.00 C ATOM 1397 OE1 GLU A 101 2.642 24.700 9.888 1.00 0.00 O ATOM 1398 OE2 GLU A 101 0.674 24.299 8.997 1.00 0.00 O ATOM 0 H GLU A 101 4.684 20.144 6.947 1.00 0.00 H new ATOM 0 HA GLU A 101 3.525 21.942 6.334 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.488 22.523 9.045 1.00 0.00 H new ATOM 0 HB3 GLU A 101 4.206 23.989 8.127 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.929 22.668 7.510 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.262 21.922 9.060 1.00 0.00 H new ATOM 1405 N GLU A 102 4.714 24.325 5.752 1.00 0.00 N ATOM 1406 CA GLU A 102 5.432 25.308 4.947 1.00 0.00 C ATOM 1407 C GLU A 102 5.354 26.704 5.566 1.00 0.00 C ATOM 1408 O GLU A 102 5.780 27.684 4.957 1.00 0.00 O ATOM 1409 CB GLU A 102 4.867 25.339 3.527 1.00 0.00 C ATOM 1410 CG GLU A 102 5.207 24.103 2.710 1.00 0.00 C ATOM 1411 CD GLU A 102 4.083 23.692 1.778 1.00 0.00 C ATOM 1412 OE1 GLU A 102 2.922 23.639 2.237 1.00 0.00 O ATOM 1413 OE2 GLU A 102 4.365 23.425 0.591 1.00 0.00 O ATOM 0 H GLU A 102 3.777 24.613 6.034 1.00 0.00 H new ATOM 0 HA GLU A 102 6.480 25.010 4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.783 25.444 3.578 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.248 26.221 3.012 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.107 24.295 2.125 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.435 23.278 3.384 1.00 0.00 H new ATOM 1420 N GLU A 103 4.811 26.792 6.778 1.00 0.00 N ATOM 1421 CA GLU A 103 4.684 28.071 7.465 1.00 0.00 C ATOM 1422 C GLU A 103 5.869 28.305 8.400 1.00 0.00 C ATOM 1423 O GLU A 103 6.819 29.004 8.048 1.00 0.00 O ATOM 1424 CB GLU A 103 3.373 28.123 8.254 1.00 0.00 C ATOM 1425 CG GLU A 103 2.161 28.461 7.402 1.00 0.00 C ATOM 1426 CD GLU A 103 2.173 29.896 6.913 1.00 0.00 C ATOM 1427 OE1 GLU A 103 2.862 30.175 5.910 1.00 0.00 O ATOM 1428 OE2 GLU A 103 1.494 30.739 7.535 1.00 0.00 O ATOM 0 H GLU A 103 4.453 25.994 7.302 1.00 0.00 H new ATOM 0 HA GLU A 103 4.676 28.861 6.714 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.210 27.159 8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.466 28.864 9.048 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.126 27.789 6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 103 1.254 28.286 7.981 1.00 0.00 H new TER 1435 GLU A 103