USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 660 hydrogens (21 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 24 GLN : amide:sc= -2.36 X(o=-4.1,f=-3.7) USER MOD Set 1.2: A 26 ASN : amide:sc= -1.71 K(o=-4.1,f=-5.5!) USER MOD Single : A 1 LEU N :NH3+ -177:sc= 0 (180deg=-0.0096) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= -0.283 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.583 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 97:sc= 0.98 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN :FLIP amide:sc= 0.474 F(o=-0.54,f=0.47) USER MOD Single : A 17 SER OG : rot -58:sc= 0.00807 USER MOD Single : A 22 LYS NZ :NH3+ -154:sc= -0.705 (180deg=-1.93!) USER MOD Single : A 25 MET CE :methyl 157:sc= -0.0488 (180deg=-0.142) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -3.35 K(o=-3.4,f=-10!) USER MOD Single : A 30 THR OG1 : rot -13:sc= 1.01 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -156:sc= -0.119 (180deg=-0.667) USER MOD Single : A 52 ASN : amide:sc= -0.0408 X(o=-0.041,f=-0.044) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -13:sc= 0.922 USER MOD Single : A 58 GLN : amide:sc= -0.353 X(o=-0.35,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 174:sc= -0.323 (180deg=-0.387) USER MOD Single : A 64 ASN : amide:sc= -7.22! C(o=-7.2!,f=-8.1!) USER MOD Single : A 65 THR OG1 : rot 163:sc= -0.285 USER MOD Single : A 67 GLN : amide:sc= -0.378 X(o=-0.38,f=-0.00069) USER MOD Single : A 72 TYR OH : rot 70:sc= 0.0162 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.11 K(o=-1.1,f=-4!) USER MOD Single : A 77 ASN : amide:sc= -3.53 K(o=-3.5,f=-4.5!) USER MOD Single : A 78 LYS NZ :NH3+ 155:sc= -0.123 (180deg=-0.559) USER MOD Single : A 79 GLN : amide:sc= -0.177 X(o=-0.18,f=0) USER MOD Single : A 137 PNS O33 : rot -101:sc= -0.0184 USER MOD Single : A 137 PNS S44 : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -3.435 5.610 -3.868 1.00 0.00 N ATOM 2 CA LEU A 1 -2.708 6.578 -4.682 1.00 0.00 C ATOM 3 C LEU A 1 -1.429 7.026 -3.982 1.00 0.00 C ATOM 4 O LEU A 1 -0.358 7.066 -4.589 1.00 0.00 O ATOM 5 CB LEU A 1 -3.592 7.791 -4.977 1.00 0.00 C ATOM 6 CG LEU A 1 -3.645 8.243 -6.437 1.00 0.00 C ATOM 7 CD1 LEU A 1 -4.562 9.447 -6.591 1.00 0.00 C ATOM 8 CD2 LEU A 1 -2.248 8.567 -6.946 1.00 0.00 C ATOM 0 H1 LEU A 1 -4.275 5.282 -4.386 1.00 0.00 H new ATOM 0 H2 LEU A 1 -2.818 4.799 -3.659 1.00 0.00 H new ATOM 0 H3 LEU A 1 -3.731 6.058 -2.978 1.00 0.00 H new ATOM 0 HA LEU A 1 -2.437 6.096 -5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -4.607 7.564 -4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -3.242 8.627 -4.371 1.00 0.00 H new ATOM 0 HG LEU A 1 -4.048 7.426 -7.035 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -4.587 9.754 -7.637 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.568 9.182 -6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -4.189 10.269 -5.980 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -2.305 8.887 -7.986 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -1.818 9.367 -6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -1.619 7.680 -6.873 1.00 0.00 H new ATOM 20 N LYS A 2 -1.546 7.359 -2.701 1.00 0.00 N ATOM 21 CA LYS A 2 -0.399 7.800 -1.917 1.00 0.00 C ATOM 22 C LYS A 2 0.254 6.623 -1.199 1.00 0.00 C ATOM 23 O LYS A 2 1.321 6.156 -1.596 1.00 0.00 O ATOM 24 CB LYS A 2 -0.828 8.858 -0.898 1.00 0.00 C ATOM 25 CG LYS A 2 -0.509 10.280 -1.326 1.00 0.00 C ATOM 26 CD LYS A 2 -0.954 11.290 -0.282 1.00 0.00 C ATOM 27 CE LYS A 2 0.218 12.108 0.238 1.00 0.00 C ATOM 28 NZ LYS A 2 0.730 13.058 -0.788 1.00 0.00 N ATOM 0 H LYS A 2 -2.425 7.332 -2.184 1.00 0.00 H new ATOM 0 HA LYS A 2 0.330 8.236 -2.600 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.901 8.771 -0.727 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.336 8.655 0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.563 10.378 -1.495 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.002 10.495 -2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.701 11.956 -0.714 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.433 10.770 0.548 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.091 12.662 1.124 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.021 11.438 0.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.528 13.597 -0.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 1.049 12.528 -1.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.029 13.714 -1.063 1.00 0.00 H new ATOM 42 N SER A 3 -0.395 6.147 -0.141 1.00 0.00 N ATOM 43 CA SER A 3 0.125 5.026 0.633 1.00 0.00 C ATOM 44 C SER A 3 -0.871 4.601 1.708 1.00 0.00 C ATOM 45 O SER A 3 -1.537 3.573 1.583 1.00 0.00 O ATOM 46 CB SER A 3 1.460 5.400 1.279 1.00 0.00 C ATOM 47 OG SER A 3 1.667 6.801 1.250 1.00 0.00 O ATOM 0 H SER A 3 -1.281 6.520 0.200 1.00 0.00 H new ATOM 0 HA SER A 3 0.281 4.188 -0.047 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.479 5.048 2.310 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.274 4.898 0.755 1.00 0.00 H new ATOM 0 HG SER A 3 2.526 7.013 1.670 1.00 0.00 H new ATOM 53 N THR A 4 -0.968 5.400 2.766 1.00 0.00 N ATOM 54 CA THR A 4 -1.880 5.107 3.865 1.00 0.00 C ATOM 55 C THR A 4 -3.309 4.939 3.362 1.00 0.00 C ATOM 56 O THR A 4 -4.104 4.209 3.954 1.00 0.00 O ATOM 57 CB THR A 4 -1.850 6.219 4.931 1.00 0.00 C ATOM 58 OG1 THR A 4 -2.522 5.778 6.116 1.00 0.00 O ATOM 59 CG2 THR A 4 -2.510 7.487 4.410 1.00 0.00 C ATOM 0 H THR A 4 -0.426 6.256 2.885 1.00 0.00 H new ATOM 0 HA THR A 4 -1.544 4.173 4.316 1.00 0.00 H new ATOM 0 HB THR A 4 -0.809 6.441 5.164 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.498 6.489 6.790 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.477 8.257 5.180 1.00 0.00 H new ATOM 0 HG22 THR A 4 -1.979 7.836 3.524 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.548 7.277 4.152 1.00 0.00 H new ATOM 67 N PHE A 5 -3.630 5.619 2.266 1.00 0.00 N ATOM 68 CA PHE A 5 -4.965 5.545 1.684 1.00 0.00 C ATOM 69 C PHE A 5 -5.431 4.097 1.574 1.00 0.00 C ATOM 70 O PHE A 5 -6.615 3.800 1.733 1.00 0.00 O ATOM 71 CB PHE A 5 -4.979 6.204 0.303 1.00 0.00 C ATOM 72 CG PHE A 5 -6.357 6.356 -0.275 1.00 0.00 C ATOM 73 CD1 PHE A 5 -7.427 6.703 0.534 1.00 0.00 C ATOM 74 CD2 PHE A 5 -6.583 6.152 -1.627 1.00 0.00 C ATOM 75 CE1 PHE A 5 -8.697 6.842 0.005 1.00 0.00 C ATOM 76 CE2 PHE A 5 -7.850 6.291 -2.161 1.00 0.00 C ATOM 77 CZ PHE A 5 -8.908 6.637 -1.344 1.00 0.00 C ATOM 0 H PHE A 5 -2.984 6.227 1.763 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.651 6.079 2.341 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -4.513 7.187 0.374 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.371 5.611 -0.380 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.267 6.867 1.590 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.759 5.881 -2.271 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -9.523 7.111 0.647 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.012 6.129 -3.216 1.00 0.00 H new ATOM 0 HZ PHE A 5 -9.899 6.747 -1.759 1.00 0.00 H new ATOM 87 N ASP A 6 -4.491 3.199 1.299 1.00 0.00 N ATOM 88 CA ASP A 6 -4.803 1.780 1.168 1.00 0.00 C ATOM 89 C ASP A 6 -5.492 1.257 2.425 1.00 0.00 C ATOM 90 O ASP A 6 -6.698 1.009 2.426 1.00 0.00 O ATOM 91 CB ASP A 6 -3.529 0.978 0.898 1.00 0.00 C ATOM 92 CG ASP A 6 -3.477 0.433 -0.516 1.00 0.00 C ATOM 93 OD1 ASP A 6 -3.132 1.204 -1.436 1.00 0.00 O ATOM 94 OD2 ASP A 6 -3.779 -0.764 -0.701 1.00 0.00 O ATOM 0 H ASP A 6 -3.507 3.428 1.162 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.484 1.659 0.325 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.660 1.613 1.072 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.467 0.151 1.606 1.00 0.00 H new ATOM 99 N ASP A 7 -4.718 1.090 3.491 1.00 0.00 N ATOM 100 CA ASP A 7 -5.253 0.596 4.755 1.00 0.00 C ATOM 101 C ASP A 7 -6.463 1.417 5.190 1.00 0.00 C ATOM 102 O ASP A 7 -7.378 0.899 5.832 1.00 0.00 O ATOM 103 CB ASP A 7 -4.176 0.637 5.840 1.00 0.00 C ATOM 104 CG ASP A 7 -3.236 -0.550 5.767 1.00 0.00 C ATOM 105 OD1 ASP A 7 -2.743 -0.850 4.660 1.00 0.00 O ATOM 106 OD2 ASP A 7 -2.993 -1.179 6.818 1.00 0.00 O ATOM 0 H ASP A 7 -3.718 1.289 3.506 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.570 -0.436 4.609 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.602 1.558 5.743 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.652 0.660 6.820 1.00 0.00 H new ATOM 111 N ILE A 8 -6.461 2.698 4.838 1.00 0.00 N ATOM 112 CA ILE A 8 -7.558 3.590 5.192 1.00 0.00 C ATOM 113 C ILE A 8 -8.821 3.244 4.412 1.00 0.00 C ATOM 114 O ILE A 8 -9.936 3.426 4.901 1.00 0.00 O ATOM 115 CB ILE A 8 -7.193 5.063 4.931 1.00 0.00 C ATOM 116 CG1 ILE A 8 -6.283 5.591 6.041 1.00 0.00 C ATOM 117 CG2 ILE A 8 -8.453 5.909 4.823 1.00 0.00 C ATOM 118 CD1 ILE A 8 -5.797 7.004 5.804 1.00 0.00 C ATOM 0 H ILE A 8 -5.711 3.142 4.308 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.744 3.454 6.257 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.654 5.126 3.986 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.821 5.555 6.988 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.421 4.931 6.138 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.179 6.948 4.638 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.067 5.544 4.000 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.017 5.842 5.753 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.157 7.312 6.631 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.231 7.043 4.873 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.652 7.676 5.737 1.00 0.00 H new ATOM 130 N LYS A 9 -8.640 2.742 3.195 1.00 0.00 N ATOM 131 CA LYS A 9 -9.764 2.367 2.346 1.00 0.00 C ATOM 132 C LYS A 9 -10.375 1.046 2.804 1.00 0.00 C ATOM 133 O LYS A 9 -11.547 0.770 2.548 1.00 0.00 O ATOM 134 CB LYS A 9 -9.313 2.253 0.888 1.00 0.00 C ATOM 135 CG LYS A 9 -8.985 0.833 0.462 1.00 0.00 C ATOM 136 CD LYS A 9 -8.019 0.812 -0.711 1.00 0.00 C ATOM 137 CE LYS A 9 -7.269 -0.509 -0.792 1.00 0.00 C ATOM 138 NZ LYS A 9 -6.794 -0.793 -2.174 1.00 0.00 N ATOM 0 H LYS A 9 -7.724 2.585 2.774 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.523 3.146 2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.098 2.645 0.242 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.434 2.880 0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.550 0.291 1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.903 0.313 0.188 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.567 0.978 -1.638 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.306 1.631 -0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.417 -0.485 -0.113 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.920 -1.317 -0.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.288 -1.701 -2.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.609 -0.841 -2.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.153 -0.035 -2.483 1.00 0.00 H new ATOM 152 N LYS A 10 -9.574 0.234 3.486 1.00 0.00 N ATOM 153 CA LYS A 10 -10.036 -1.056 3.983 1.00 0.00 C ATOM 154 C LYS A 10 -10.843 -0.888 5.266 1.00 0.00 C ATOM 155 O LYS A 10 -11.856 -1.559 5.466 1.00 0.00 O ATOM 156 CB LYS A 10 -8.846 -1.985 4.234 1.00 0.00 C ATOM 157 CG LYS A 10 -7.714 -1.806 3.238 1.00 0.00 C ATOM 158 CD LYS A 10 -6.780 -3.005 3.234 1.00 0.00 C ATOM 159 CE LYS A 10 -7.163 -4.005 2.154 1.00 0.00 C ATOM 160 NZ LYS A 10 -6.573 -5.348 2.408 1.00 0.00 N ATOM 0 H LYS A 10 -8.601 0.447 3.707 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.681 -1.499 3.225 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.465 -1.810 5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.189 -3.019 4.199 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.126 -1.661 2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.151 -0.906 3.484 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.755 -2.669 3.074 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.807 -3.492 4.209 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.249 -4.089 2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.827 -3.638 1.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.857 -6.001 1.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.536 -5.273 2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.913 -5.709 3.322 1.00 0.00 H new ATOM 174 N ILE A 11 -10.388 0.012 6.132 1.00 0.00 N ATOM 175 CA ILE A 11 -11.070 0.270 7.394 1.00 0.00 C ATOM 176 C ILE A 11 -12.383 1.012 7.169 1.00 0.00 C ATOM 177 O ILE A 11 -13.379 0.751 7.844 1.00 0.00 O ATOM 178 CB ILE A 11 -10.187 1.091 8.353 1.00 0.00 C ATOM 179 CG1 ILE A 11 -9.805 2.426 7.712 1.00 0.00 C ATOM 180 CG2 ILE A 11 -8.942 0.303 8.732 1.00 0.00 C ATOM 181 CD1 ILE A 11 -8.817 3.228 8.530 1.00 0.00 C ATOM 0 H ILE A 11 -9.550 0.574 5.982 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.277 -0.701 7.844 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.754 1.295 9.261 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.380 2.238 6.726 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.707 3.019 7.563 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.328 0.896 9.410 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.234 -0.624 9.225 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.370 0.072 7.833 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.592 4.162 8.015 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.247 3.447 9.507 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.899 2.654 8.658 1.00 0.00 H new ATOM 193 N ILE A 12 -12.377 1.937 6.214 1.00 0.00 N ATOM 194 CA ILE A 12 -13.568 2.715 5.898 1.00 0.00 C ATOM 195 C ILE A 12 -14.578 1.880 5.117 1.00 0.00 C ATOM 196 O ILE A 12 -15.788 2.054 5.264 1.00 0.00 O ATOM 197 CB ILE A 12 -13.218 3.973 5.081 1.00 0.00 C ATOM 198 CG1 ILE A 12 -12.617 3.580 3.730 1.00 0.00 C ATOM 199 CG2 ILE A 12 -12.255 4.858 5.859 1.00 0.00 C ATOM 200 CD1 ILE A 12 -13.606 3.647 2.587 1.00 0.00 C ATOM 0 H ILE A 12 -11.561 2.165 5.646 1.00 0.00 H new ATOM 0 HA ILE A 12 -14.008 3.019 6.848 1.00 0.00 H new ATOM 0 HB ILE A 12 -14.133 4.537 4.899 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.775 4.237 3.511 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.221 2.567 3.798 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -12.017 5.743 5.269 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.718 5.162 6.798 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.340 4.304 6.068 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.111 3.356 1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -14.436 2.969 2.784 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -13.984 4.665 2.492 1.00 0.00 H new ATOM 212 N SER A 13 -14.072 0.973 4.287 1.00 0.00 N ATOM 213 CA SER A 13 -14.930 0.112 3.481 1.00 0.00 C ATOM 214 C SER A 13 -15.515 -1.016 4.325 1.00 0.00 C ATOM 215 O SER A 13 -16.580 -1.550 4.017 1.00 0.00 O ATOM 216 CB SER A 13 -14.143 -0.470 2.306 1.00 0.00 C ATOM 217 OG SER A 13 -13.906 0.513 1.313 1.00 0.00 O ATOM 0 H SER A 13 -13.073 0.815 4.155 1.00 0.00 H new ATOM 0 HA SER A 13 -15.751 0.717 3.096 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.193 -0.868 2.662 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.695 -1.304 1.872 1.00 0.00 H new ATOM 0 HG SER A 13 -13.009 0.890 1.433 1.00 0.00 H new ATOM 223 N LYS A 14 -14.810 -1.373 5.394 1.00 0.00 N ATOM 224 CA LYS A 14 -15.257 -2.437 6.285 1.00 0.00 C ATOM 225 C LYS A 14 -16.070 -1.869 7.445 1.00 0.00 C ATOM 226 O LYS A 14 -16.848 -2.582 8.076 1.00 0.00 O ATOM 227 CB LYS A 14 -14.056 -3.217 6.824 1.00 0.00 C ATOM 228 CG LYS A 14 -13.340 -2.519 7.967 1.00 0.00 C ATOM 229 CD LYS A 14 -12.069 -3.253 8.360 1.00 0.00 C ATOM 230 CE LYS A 14 -12.363 -4.674 8.813 1.00 0.00 C ATOM 231 NZ LYS A 14 -11.155 -5.339 9.374 1.00 0.00 N ATOM 0 H LYS A 14 -13.927 -0.941 5.664 1.00 0.00 H new ATOM 0 HA LYS A 14 -15.894 -3.112 5.714 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.392 -4.197 7.162 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.349 -3.385 6.012 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.096 -1.498 7.675 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.005 -2.454 8.828 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.384 -3.275 7.513 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.568 -2.711 9.162 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.152 -4.659 9.565 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.738 -5.254 7.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.397 -6.306 9.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.411 -5.376 8.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.812 -4.800 10.195 1.00 0.00 H new ATOM 245 N GLN A 15 -15.883 -0.581 7.717 1.00 0.00 N ATOM 246 CA GLN A 15 -16.600 0.081 8.800 1.00 0.00 C ATOM 247 C GLN A 15 -17.772 0.894 8.260 1.00 0.00 C ATOM 248 O GLN A 15 -18.929 0.490 8.380 1.00 0.00 O ATOM 249 CB GLN A 15 -15.653 0.990 9.586 1.00 0.00 C ATOM 250 CG GLN A 15 -16.332 1.744 10.718 1.00 0.00 C ATOM 251 CD GLN A 15 -17.289 0.873 11.508 1.00 0.00 C ATOM 252 OE1 GLN A 15 -16.812 -0.288 11.942 1.00 0.00 O flip ATOM 253 NE2 GLN A 15 -18.444 1.238 11.726 1.00 0.00 N flip ATOM 0 H GLN A 15 -15.242 0.024 7.203 1.00 0.00 H new ATOM 0 HA GLN A 15 -16.991 -0.688 9.466 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.843 0.388 9.997 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -15.201 1.708 8.902 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -15.573 2.144 11.390 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -16.876 2.595 10.308 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -18.769 2.138 11.374 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -19.076 0.640 12.259 1.00 0.00 H new ATOM 262 N LEU A 16 -17.465 2.042 7.666 1.00 0.00 N ATOM 263 CA LEU A 16 -18.493 2.913 7.107 1.00 0.00 C ATOM 264 C LEU A 16 -19.133 2.280 5.875 1.00 0.00 C ATOM 265 O LEU A 16 -20.265 2.602 5.517 1.00 0.00 O ATOM 266 CB LEU A 16 -17.895 4.273 6.743 1.00 0.00 C ATOM 267 CG LEU A 16 -17.980 5.354 7.821 1.00 0.00 C ATOM 268 CD1 LEU A 16 -16.591 5.725 8.317 1.00 0.00 C ATOM 269 CD2 LEU A 16 -18.704 6.582 7.288 1.00 0.00 C ATOM 0 H LEU A 16 -16.513 2.391 7.559 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.265 3.053 7.863 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -16.846 4.129 6.484 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -18.397 4.640 5.848 1.00 0.00 H new ATOM 0 HG LEU A 16 -18.549 4.957 8.662 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.672 6.496 9.084 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.108 4.844 8.738 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -15.996 6.102 7.485 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -18.755 7.341 8.068 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -18.162 6.980 6.430 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -19.713 6.306 6.984 1.00 0.00 H new ATOM 281 N SER A 17 -18.400 1.376 5.233 1.00 0.00 N ATOM 282 CA SER A 17 -18.895 0.699 4.040 1.00 0.00 C ATOM 283 C SER A 17 -19.399 1.707 3.012 1.00 0.00 C ATOM 284 O SER A 17 -20.556 1.662 2.596 1.00 0.00 O ATOM 285 CB SER A 17 -20.016 -0.274 4.409 1.00 0.00 C ATOM 286 OG SER A 17 -20.268 -1.185 3.354 1.00 0.00 O ATOM 0 H SER A 17 -17.462 1.096 5.519 1.00 0.00 H new ATOM 0 HA SER A 17 -18.069 0.141 3.600 1.00 0.00 H new ATOM 0 HB2 SER A 17 -19.743 -0.823 5.310 1.00 0.00 H new ATOM 0 HB3 SER A 17 -20.925 0.283 4.638 1.00 0.00 H new ATOM 0 HG SER A 17 -20.500 -0.689 2.542 1.00 0.00 H new ATOM 292 N VAL A 18 -18.520 2.618 2.606 1.00 0.00 N ATOM 293 CA VAL A 18 -18.873 3.638 1.626 1.00 0.00 C ATOM 294 C VAL A 18 -17.718 3.902 0.667 1.00 0.00 C ATOM 295 O VAL A 18 -16.716 3.188 0.675 1.00 0.00 O ATOM 296 CB VAL A 18 -19.271 4.960 2.310 1.00 0.00 C ATOM 297 CG1 VAL A 18 -20.381 4.724 3.323 1.00 0.00 C ATOM 298 CG2 VAL A 18 -18.061 5.602 2.972 1.00 0.00 C ATOM 0 H VAL A 18 -17.558 2.670 2.941 1.00 0.00 H new ATOM 0 HA VAL A 18 -19.726 3.256 1.066 1.00 0.00 H new ATOM 0 HB VAL A 18 -19.646 5.644 1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -20.649 5.669 3.796 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -21.254 4.311 2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -20.037 4.023 4.083 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -18.360 6.535 3.450 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -17.654 4.924 3.722 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -17.301 5.808 2.219 1.00 0.00 H new ATOM 308 N GLU A 19 -17.866 4.934 -0.158 1.00 0.00 N ATOM 309 CA GLU A 19 -16.834 5.292 -1.124 1.00 0.00 C ATOM 310 C GLU A 19 -15.803 6.227 -0.498 1.00 0.00 C ATOM 311 O GLU A 19 -16.153 7.156 0.228 1.00 0.00 O ATOM 312 CB GLU A 19 -17.461 5.957 -2.351 1.00 0.00 C ATOM 313 CG GLU A 19 -18.350 7.142 -2.014 1.00 0.00 C ATOM 314 CD GLU A 19 -19.733 7.027 -2.625 1.00 0.00 C ATOM 315 OE1 GLU A 19 -19.852 7.194 -3.858 1.00 0.00 O ATOM 316 OE2 GLU A 19 -20.696 6.771 -1.873 1.00 0.00 O ATOM 0 H GLU A 19 -18.689 5.536 -0.177 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.329 4.377 -1.433 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.667 6.288 -3.020 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.048 5.217 -2.895 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.441 7.226 -0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.876 8.058 -2.366 1.00 0.00 H new ATOM 323 N GLU A 20 -14.530 5.971 -0.784 1.00 0.00 N ATOM 324 CA GLU A 20 -13.448 6.788 -0.247 1.00 0.00 C ATOM 325 C GLU A 20 -13.406 8.152 -0.930 1.00 0.00 C ATOM 326 O GLU A 20 -12.650 9.037 -0.528 1.00 0.00 O ATOM 327 CB GLU A 20 -12.105 6.076 -0.424 1.00 0.00 C ATOM 328 CG GLU A 20 -12.157 4.592 -0.105 1.00 0.00 C ATOM 329 CD GLU A 20 -11.730 3.728 -1.276 1.00 0.00 C ATOM 330 OE1 GLU A 20 -10.578 3.879 -1.734 1.00 0.00 O ATOM 331 OE2 GLU A 20 -12.547 2.902 -1.734 1.00 0.00 O ATOM 0 H GLU A 20 -14.223 5.205 -1.384 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.634 6.938 0.816 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.767 6.207 -1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.364 6.551 0.218 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.512 4.385 0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.171 4.323 0.189 1.00 0.00 H new ATOM 338 N ASP A 21 -14.224 8.315 -1.964 1.00 0.00 N ATOM 339 CA ASP A 21 -14.282 9.571 -2.703 1.00 0.00 C ATOM 340 C ASP A 21 -14.941 10.663 -1.867 1.00 0.00 C ATOM 341 O ASP A 21 -14.929 11.837 -2.239 1.00 0.00 O ATOM 342 CB ASP A 21 -15.048 9.381 -4.013 1.00 0.00 C ATOM 343 CG ASP A 21 -14.133 9.058 -5.178 1.00 0.00 C ATOM 344 OD1 ASP A 21 -13.415 9.970 -5.639 1.00 0.00 O ATOM 345 OD2 ASP A 21 -14.134 7.893 -5.629 1.00 0.00 O ATOM 0 H ASP A 21 -14.856 7.593 -2.310 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.261 9.879 -2.930 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.775 8.578 -3.892 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.610 10.288 -4.237 1.00 0.00 H new ATOM 350 N LYS A 22 -15.518 10.270 -0.737 1.00 0.00 N ATOM 351 CA LYS A 22 -16.183 11.214 0.153 1.00 0.00 C ATOM 352 C LYS A 22 -15.620 11.118 1.567 1.00 0.00 C ATOM 353 O LYS A 22 -15.977 11.907 2.442 1.00 0.00 O ATOM 354 CB LYS A 22 -17.690 10.952 0.174 1.00 0.00 C ATOM 355 CG LYS A 22 -18.051 9.478 0.230 1.00 0.00 C ATOM 356 CD LYS A 22 -17.941 8.931 1.644 1.00 0.00 C ATOM 357 CE LYS A 22 -18.967 9.567 2.569 1.00 0.00 C ATOM 358 NZ LYS A 22 -19.757 8.544 3.308 1.00 0.00 N ATOM 0 H LYS A 22 -15.539 9.302 -0.415 1.00 0.00 H new ATOM 0 HA LYS A 22 -16.001 12.220 -0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -18.126 11.457 1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -18.139 11.394 -0.715 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -19.067 9.337 -0.138 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.392 8.915 -0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.083 7.850 1.629 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -16.938 9.115 2.030 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.460 10.218 3.281 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.641 10.195 1.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.684 8.940 3.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.893 7.708 2.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.247 8.269 4.172 1.00 0.00 H new ATOM 372 N ILE A 23 -14.738 10.148 1.783 1.00 0.00 N ATOM 373 CA ILE A 23 -14.124 9.951 3.091 1.00 0.00 C ATOM 374 C ILE A 23 -12.729 10.564 3.141 1.00 0.00 C ATOM 375 O ILE A 23 -12.121 10.659 4.207 1.00 0.00 O ATOM 376 CB ILE A 23 -14.029 8.457 3.449 1.00 0.00 C ATOM 377 CG1 ILE A 23 -14.519 8.220 4.879 1.00 0.00 C ATOM 378 CG2 ILE A 23 -12.600 7.962 3.285 1.00 0.00 C ATOM 379 CD1 ILE A 23 -13.706 8.950 5.925 1.00 0.00 C ATOM 0 H ILE A 23 -14.432 9.486 1.070 1.00 0.00 H new ATOM 0 HA ILE A 23 -14.764 10.450 3.818 1.00 0.00 H new ATOM 0 HB ILE A 23 -14.668 7.895 2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -15.560 8.535 4.955 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -14.493 7.151 5.091 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.550 6.904 3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.284 8.100 2.251 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.941 8.527 3.944 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -14.110 8.736 6.914 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.669 8.618 5.877 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.752 10.023 5.738 1.00 0.00 H new ATOM 391 N GLN A 24 -12.229 10.981 1.982 1.00 0.00 N ATOM 392 CA GLN A 24 -10.906 11.586 1.895 1.00 0.00 C ATOM 393 C GLN A 24 -10.968 12.929 1.174 1.00 0.00 C ATOM 394 O GLN A 24 -11.246 12.989 -0.023 1.00 0.00 O ATOM 395 CB GLN A 24 -9.940 10.648 1.169 1.00 0.00 C ATOM 396 CG GLN A 24 -8.779 11.368 0.501 1.00 0.00 C ATOM 397 CD GLN A 24 -9.052 11.691 -0.955 1.00 0.00 C ATOM 398 OE1 GLN A 24 -8.833 12.816 -1.405 1.00 0.00 O ATOM 399 NE2 GLN A 24 -9.532 10.702 -1.700 1.00 0.00 N ATOM 0 H GLN A 24 -12.720 10.911 1.091 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.544 11.755 2.909 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -9.546 9.924 1.882 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -10.491 10.086 0.415 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.570 12.292 1.041 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.884 10.749 0.570 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.698 9.785 -1.285 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.734 10.859 -2.687 1.00 0.00 H new ATOM 408 N MET A 25 -10.707 14.003 1.911 1.00 0.00 N ATOM 409 CA MET A 25 -10.732 15.345 1.341 1.00 0.00 C ATOM 410 C MET A 25 -9.388 16.041 1.529 1.00 0.00 C ATOM 411 O MET A 25 -9.218 17.197 1.143 1.00 0.00 O ATOM 412 CB MET A 25 -11.844 16.175 1.986 1.00 0.00 C ATOM 413 CG MET A 25 -13.242 15.749 1.565 1.00 0.00 C ATOM 414 SD MET A 25 -14.263 15.244 2.962 1.00 0.00 S ATOM 415 CE MET A 25 -15.678 16.323 2.755 1.00 0.00 C ATOM 0 H MET A 25 -10.476 13.971 2.904 1.00 0.00 H new ATOM 0 HA MET A 25 -10.928 15.255 0.273 1.00 0.00 H new ATOM 0 HB2 MET A 25 -11.761 16.099 3.070 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.699 17.224 1.728 1.00 0.00 H new ATOM 0 HG2 MET A 25 -13.728 16.574 1.044 1.00 0.00 H new ATOM 0 HG3 MET A 25 -13.168 14.924 0.856 1.00 0.00 H new ATOM 0 HE1 MET A 25 -16.545 15.886 3.251 1.00 0.00 H new ATOM 0 HE2 MET A 25 -15.461 17.296 3.195 1.00 0.00 H new ATOM 0 HE3 MET A 25 -15.890 16.445 1.693 1.00 0.00 H new ATOM 425 N ASN A 26 -8.436 15.330 2.125 1.00 0.00 N ATOM 426 CA ASN A 26 -7.108 15.881 2.365 1.00 0.00 C ATOM 427 C ASN A 26 -7.158 16.986 3.416 1.00 0.00 C ATOM 428 O ASN A 26 -6.188 17.717 3.610 1.00 0.00 O ATOM 429 CB ASN A 26 -6.516 16.426 1.064 1.00 0.00 C ATOM 430 CG ASN A 26 -6.904 15.591 -0.141 1.00 0.00 C ATOM 431 OD1 ASN A 26 -6.394 14.487 -0.336 1.00 0.00 O ATOM 432 ND2 ASN A 26 -7.810 16.117 -0.958 1.00 0.00 N ATOM 0 H ASN A 26 -8.560 14.371 2.450 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.472 15.078 2.738 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.854 17.452 0.916 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.430 16.457 1.147 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.110 15.603 -1.786 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.206 17.035 -0.757 1.00 0.00 H new ATOM 439 N SER A 27 -8.297 17.100 4.092 1.00 0.00 N ATOM 440 CA SER A 27 -8.476 18.118 5.121 1.00 0.00 C ATOM 441 C SER A 27 -8.666 17.477 6.492 1.00 0.00 C ATOM 442 O SER A 27 -7.758 17.482 7.322 1.00 0.00 O ATOM 443 CB SER A 27 -9.679 19.003 4.788 1.00 0.00 C ATOM 444 OG SER A 27 -9.487 19.685 3.561 1.00 0.00 O ATOM 0 H SER A 27 -9.109 16.500 3.946 1.00 0.00 H new ATOM 0 HA SER A 27 -7.577 18.734 5.149 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.579 18.391 4.731 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.835 19.726 5.589 1.00 0.00 H new ATOM 0 HG SER A 27 -10.270 20.242 3.370 1.00 0.00 H new ATOM 450 N ASN A 28 -9.854 16.926 6.721 1.00 0.00 N ATOM 451 CA ASN A 28 -10.164 16.280 7.992 1.00 0.00 C ATOM 452 C ASN A 28 -11.053 15.059 7.779 1.00 0.00 C ATOM 453 O ASN A 28 -11.859 15.019 6.848 1.00 0.00 O ATOM 454 CB ASN A 28 -10.854 17.269 8.935 1.00 0.00 C ATOM 455 CG ASN A 28 -10.907 18.672 8.363 1.00 0.00 C ATOM 456 OD1 ASN A 28 -11.942 19.112 7.863 1.00 0.00 O ATOM 457 ND2 ASN A 28 -9.787 19.382 8.433 1.00 0.00 N ATOM 0 H ASN A 28 -10.617 16.914 6.044 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.227 15.951 8.442 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.868 16.925 9.140 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.325 17.288 9.888 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.762 20.332 8.064 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.952 18.977 8.856 1.00 0.00 H new ATOM 464 N PHE A 29 -10.901 14.065 8.647 1.00 0.00 N ATOM 465 CA PHE A 29 -11.690 12.842 8.554 1.00 0.00 C ATOM 466 C PHE A 29 -12.930 12.925 9.440 1.00 0.00 C ATOM 467 O PHE A 29 -13.963 12.325 9.141 1.00 0.00 O ATOM 468 CB PHE A 29 -10.843 11.632 8.955 1.00 0.00 C ATOM 469 CG PHE A 29 -10.218 10.924 7.788 1.00 0.00 C ATOM 470 CD1 PHE A 29 -9.101 11.450 7.159 1.00 0.00 C ATOM 471 CD2 PHE A 29 -10.746 9.732 7.319 1.00 0.00 C ATOM 472 CE1 PHE A 29 -8.524 10.801 6.083 1.00 0.00 C ATOM 473 CE2 PHE A 29 -10.173 9.078 6.244 1.00 0.00 C ATOM 474 CZ PHE A 29 -9.060 9.613 5.627 1.00 0.00 C ATOM 0 H PHE A 29 -10.239 14.082 9.423 1.00 0.00 H new ATOM 0 HA PHE A 29 -12.012 12.725 7.519 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -10.056 11.959 9.635 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.467 10.928 9.505 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.676 12.378 7.513 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.616 9.308 7.799 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -7.655 11.223 5.600 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.595 8.150 5.888 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.609 9.103 4.789 1.00 0.00 H new ATOM 484 N THR A 30 -12.819 13.674 10.533 1.00 0.00 N ATOM 485 CA THR A 30 -13.929 13.835 11.464 1.00 0.00 C ATOM 486 C THR A 30 -14.315 15.303 11.610 1.00 0.00 C ATOM 487 O THR A 30 -15.188 15.650 12.406 1.00 0.00 O ATOM 488 CB THR A 30 -13.585 13.265 12.853 1.00 0.00 C ATOM 489 OG1 THR A 30 -14.672 13.490 13.757 1.00 0.00 O ATOM 490 CG2 THR A 30 -12.320 13.907 13.403 1.00 0.00 C ATOM 0 H THR A 30 -11.972 14.178 10.795 1.00 0.00 H new ATOM 0 HA THR A 30 -14.771 13.280 11.051 1.00 0.00 H new ATOM 0 HB THR A 30 -13.414 12.193 12.750 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.299 14.131 13.362 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.097 13.489 14.385 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.488 13.709 12.727 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.467 14.983 13.492 1.00 0.00 H new ATOM 498 N LYS A 31 -13.659 16.162 10.838 1.00 0.00 N ATOM 499 CA LYS A 31 -13.934 17.593 10.880 1.00 0.00 C ATOM 500 C LYS A 31 -14.385 18.101 9.514 1.00 0.00 C ATOM 501 O LYS A 31 -14.916 19.205 9.396 1.00 0.00 O ATOM 502 CB LYS A 31 -12.689 18.360 11.334 1.00 0.00 C ATOM 503 CG LYS A 31 -11.674 17.495 12.061 1.00 0.00 C ATOM 504 CD LYS A 31 -10.443 18.293 12.457 1.00 0.00 C ATOM 505 CE LYS A 31 -10.366 18.488 13.964 1.00 0.00 C ATOM 506 NZ LYS A 31 -9.434 19.588 14.334 1.00 0.00 N ATOM 0 H LYS A 31 -12.932 15.892 10.175 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.739 17.761 11.595 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.213 18.811 10.463 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.994 19.176 11.989 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.132 17.065 12.952 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.379 16.663 11.421 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.547 17.778 12.109 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.464 19.265 11.964 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.360 18.708 14.353 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.038 17.561 14.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.410 19.689 15.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.480 19.366 13.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.761 20.478 13.907 1.00 0.00 H new ATOM 520 N ASP A 32 -14.172 17.287 8.486 1.00 0.00 N ATOM 521 CA ASP A 32 -14.560 17.653 7.128 1.00 0.00 C ATOM 522 C ASP A 32 -15.838 16.929 6.714 1.00 0.00 C ATOM 523 O ASP A 32 -16.883 17.553 6.524 1.00 0.00 O ATOM 524 CB ASP A 32 -13.433 17.324 6.147 1.00 0.00 C ATOM 525 CG ASP A 32 -13.247 18.403 5.098 1.00 0.00 C ATOM 526 OD1 ASP A 32 -13.179 19.591 5.475 1.00 0.00 O ATOM 527 OD2 ASP A 32 -13.169 18.058 3.900 1.00 0.00 O ATOM 0 H ASP A 32 -13.733 16.370 8.567 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.748 18.726 7.107 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.502 17.193 6.698 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.649 16.376 5.655 1.00 0.00 H new ATOM 532 N LEU A 33 -15.747 15.611 6.576 1.00 0.00 N ATOM 533 CA LEU A 33 -16.896 14.802 6.184 1.00 0.00 C ATOM 534 C LEU A 33 -17.899 14.690 7.328 1.00 0.00 C ATOM 535 O LEU A 33 -19.103 14.579 7.102 1.00 0.00 O ATOM 536 CB LEU A 33 -16.439 13.408 5.752 1.00 0.00 C ATOM 537 CG LEU A 33 -15.447 12.709 6.683 1.00 0.00 C ATOM 538 CD1 LEU A 33 -15.987 11.355 7.118 1.00 0.00 C ATOM 539 CD2 LEU A 33 -14.096 12.552 6.001 1.00 0.00 C ATOM 0 H LEU A 33 -14.890 15.080 6.730 1.00 0.00 H new ATOM 0 HA LEU A 33 -17.386 15.294 5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -17.320 12.774 5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.986 13.486 4.764 1.00 0.00 H new ATOM 0 HG LEU A 33 -15.314 13.327 7.571 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -15.268 10.872 7.780 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.931 11.492 7.646 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.150 10.729 6.241 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.403 12.053 6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.212 11.956 5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -13.704 13.535 5.740 1.00 0.00 H new ATOM 551 N GLY A 34 -17.393 14.722 8.557 1.00 0.00 N ATOM 552 CA GLY A 34 -18.258 14.625 9.718 1.00 0.00 C ATOM 553 C GLY A 34 -19.195 13.435 9.645 1.00 0.00 C ATOM 554 O GLY A 34 -20.407 13.580 9.806 1.00 0.00 O ATOM 0 H GLY A 34 -16.400 14.813 8.769 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.647 14.548 10.617 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.844 15.540 9.808 1.00 0.00 H new ATOM 558 N ALA A 35 -18.634 12.256 9.400 1.00 0.00 N ATOM 559 CA ALA A 35 -19.427 11.037 9.307 1.00 0.00 C ATOM 560 C ALA A 35 -20.040 10.675 10.655 1.00 0.00 C ATOM 561 O ALA A 35 -21.230 10.888 10.884 1.00 0.00 O ATOM 562 CB ALA A 35 -18.572 9.889 8.788 1.00 0.00 C ATOM 0 H ALA A 35 -17.633 12.119 9.262 1.00 0.00 H new ATOM 0 HA ALA A 35 -20.241 11.216 8.605 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -19.177 8.985 8.724 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -18.188 10.140 7.799 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -17.738 9.720 9.469 1.00 0.00 H new ATOM 568 N ASP A 36 -19.219 10.128 11.545 1.00 0.00 N ATOM 569 CA ASP A 36 -19.680 9.736 12.872 1.00 0.00 C ATOM 570 C ASP A 36 -18.536 9.154 13.695 1.00 0.00 C ATOM 571 O ASP A 36 -17.904 8.160 13.342 1.00 0.00 O ATOM 572 CB ASP A 36 -20.815 8.717 12.761 1.00 0.00 C ATOM 573 CG ASP A 36 -22.105 9.217 13.379 1.00 0.00 C ATOM 574 OD1 ASP A 36 -22.785 10.050 12.742 1.00 0.00 O ATOM 575 OD2 ASP A 36 -22.437 8.776 14.499 1.00 0.00 O ATOM 0 H ASP A 36 -18.230 9.946 11.371 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.051 10.627 13.378 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -20.986 8.482 11.711 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -20.516 7.790 13.251 1.00 0.00 H new ATOM 580 N SER A 37 -18.246 9.792 14.843 1.00 0.00 N ATOM 581 CA SER A 37 -17.180 9.425 15.802 1.00 0.00 C ATOM 582 C SER A 37 -17.035 7.903 15.975 1.00 0.00 C ATOM 583 O SER A 37 -15.932 7.363 16.063 1.00 0.00 O ATOM 584 CB SER A 37 -17.511 10.121 17.131 1.00 0.00 C ATOM 585 OG SER A 37 -18.711 9.596 17.702 1.00 0.00 O ATOM 0 H SER A 37 -18.769 10.614 15.144 1.00 0.00 H new ATOM 0 HA SER A 37 -16.213 9.756 15.423 1.00 0.00 H new ATOM 0 HB2 SER A 37 -16.685 9.990 17.829 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.622 11.193 16.966 1.00 0.00 H new ATOM 590 N LEU A 38 -18.177 7.226 16.024 1.00 0.00 N ATOM 591 CA LEU A 38 -18.201 5.777 16.187 1.00 0.00 C ATOM 592 C LEU A 38 -17.446 5.089 15.054 1.00 0.00 C ATOM 593 O LEU A 38 -16.574 4.253 15.294 1.00 0.00 O ATOM 594 CB LEU A 38 -19.645 5.273 16.232 1.00 0.00 C ATOM 595 CG LEU A 38 -20.567 5.967 17.234 1.00 0.00 C ATOM 596 CD1 LEU A 38 -21.358 7.074 16.554 1.00 0.00 C ATOM 597 CD2 LEU A 38 -21.506 4.959 17.882 1.00 0.00 C ATOM 0 H LEU A 38 -19.098 7.658 15.953 1.00 0.00 H new ATOM 0 HA LEU A 38 -17.708 5.534 17.128 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -20.077 5.380 15.237 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.630 4.207 16.460 1.00 0.00 H new ATOM 0 HG LEU A 38 -19.952 6.415 18.015 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -22.009 7.557 17.283 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.670 7.810 16.138 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.963 6.650 15.753 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -22.155 5.471 18.592 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -22.114 4.482 17.113 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -20.922 4.201 18.405 1.00 0.00 H new ATOM 609 N ASP A 39 -17.784 5.448 13.821 1.00 0.00 N ATOM 610 CA ASP A 39 -17.135 4.868 12.651 1.00 0.00 C ATOM 611 C ASP A 39 -15.699 5.367 12.522 1.00 0.00 C ATOM 612 O ASP A 39 -14.773 4.581 12.316 1.00 0.00 O ATOM 613 CB ASP A 39 -17.921 5.208 11.384 1.00 0.00 C ATOM 614 CG ASP A 39 -19.384 4.823 11.490 1.00 0.00 C ATOM 615 OD1 ASP A 39 -19.673 3.733 12.025 1.00 0.00 O ATOM 616 OD2 ASP A 39 -20.240 5.612 11.036 1.00 0.00 O ATOM 0 H ASP A 39 -18.504 6.138 13.605 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.115 3.786 12.778 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -17.843 6.277 11.187 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -17.474 4.694 10.533 1.00 0.00 H new ATOM 621 N LEU A 40 -15.521 6.678 12.644 1.00 0.00 N ATOM 622 CA LEU A 40 -14.197 7.283 12.541 1.00 0.00 C ATOM 623 C LEU A 40 -13.223 6.631 13.517 1.00 0.00 C ATOM 624 O LEU A 40 -12.143 6.186 13.128 1.00 0.00 O ATOM 625 CB LEU A 40 -14.280 8.786 12.812 1.00 0.00 C ATOM 626 CG LEU A 40 -14.571 9.672 11.601 1.00 0.00 C ATOM 627 CD1 LEU A 40 -13.397 9.659 10.635 1.00 0.00 C ATOM 628 CD2 LEU A 40 -15.844 9.217 10.901 1.00 0.00 C ATOM 0 H LEU A 40 -16.276 7.342 12.814 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.828 7.122 11.528 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -15.056 8.958 13.557 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.337 9.108 13.254 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.717 10.694 11.950 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.623 10.295 9.779 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.506 10.033 11.140 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.219 8.640 10.292 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.036 9.859 10.041 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -15.726 8.187 10.565 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -16.683 9.279 11.594 1.00 0.00 H new ATOM 640 N VAL A 41 -13.613 6.576 14.786 1.00 0.00 N ATOM 641 CA VAL A 41 -12.775 5.975 15.818 1.00 0.00 C ATOM 642 C VAL A 41 -12.631 4.473 15.602 1.00 0.00 C ATOM 643 O VAL A 41 -11.635 3.872 16.004 1.00 0.00 O ATOM 644 CB VAL A 41 -13.349 6.228 17.224 1.00 0.00 C ATOM 645 CG1 VAL A 41 -12.499 5.538 18.280 1.00 0.00 C ATOM 646 CG2 VAL A 41 -13.446 7.721 17.499 1.00 0.00 C ATOM 0 H VAL A 41 -14.504 6.940 15.125 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.795 6.445 15.744 1.00 0.00 H new ATOM 0 HB VAL A 41 -14.354 5.807 17.268 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -12.920 5.728 19.267 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -12.486 4.464 18.092 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.481 5.926 18.239 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.854 7.881 18.497 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -12.454 8.168 17.436 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -14.100 8.185 16.761 1.00 0.00 H new ATOM 656 N GLU A 42 -13.631 3.873 14.965 1.00 0.00 N ATOM 657 CA GLU A 42 -13.615 2.440 14.697 1.00 0.00 C ATOM 658 C GLU A 42 -12.623 2.106 13.586 1.00 0.00 C ATOM 659 O GLU A 42 -11.618 1.432 13.818 1.00 0.00 O ATOM 660 CB GLU A 42 -15.014 1.955 14.309 1.00 0.00 C ATOM 661 CG GLU A 42 -15.828 1.444 15.485 1.00 0.00 C ATOM 662 CD GLU A 42 -15.724 -0.059 15.658 1.00 0.00 C ATOM 663 OE1 GLU A 42 -14.622 -0.606 15.446 1.00 0.00 O ATOM 664 OE2 GLU A 42 -16.746 -0.688 16.005 1.00 0.00 O ATOM 0 H GLU A 42 -14.462 4.357 14.625 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.301 1.929 15.607 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -15.554 2.773 13.832 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.922 1.160 13.569 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.489 1.935 16.397 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -16.874 1.718 15.345 1.00 0.00 H new ATOM 671 N LEU A 43 -12.913 2.581 12.380 1.00 0.00 N ATOM 672 CA LEU A 43 -12.047 2.333 11.232 1.00 0.00 C ATOM 673 C LEU A 43 -10.591 2.632 11.573 1.00 0.00 C ATOM 674 O LEU A 43 -9.685 1.908 11.159 1.00 0.00 O ATOM 675 CB LEU A 43 -12.490 3.185 10.041 1.00 0.00 C ATOM 676 CG LEU A 43 -12.377 4.700 10.221 1.00 0.00 C ATOM 677 CD1 LEU A 43 -11.081 5.215 9.613 1.00 0.00 C ATOM 678 CD2 LEU A 43 -13.576 5.401 9.599 1.00 0.00 C ATOM 0 H LEU A 43 -13.740 3.140 12.171 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.129 1.279 10.967 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.897 2.897 9.173 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.528 2.943 9.812 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.366 4.920 11.288 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.018 6.294 9.751 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.233 4.737 10.104 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.061 4.983 8.548 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.479 6.478 9.736 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.618 5.173 8.534 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.490 5.055 10.081 1.00 0.00 H new ATOM 690 N ILE A 44 -10.374 3.701 12.331 1.00 0.00 N ATOM 691 CA ILE A 44 -9.028 4.094 12.731 1.00 0.00 C ATOM 692 C ILE A 44 -8.376 3.021 13.596 1.00 0.00 C ATOM 693 O ILE A 44 -7.269 2.566 13.309 1.00 0.00 O ATOM 694 CB ILE A 44 -9.036 5.426 13.504 1.00 0.00 C ATOM 695 CG1 ILE A 44 -9.361 6.586 12.561 1.00 0.00 C ATOM 696 CG2 ILE A 44 -7.695 5.650 14.187 1.00 0.00 C ATOM 697 CD1 ILE A 44 -9.774 7.851 13.280 1.00 0.00 C ATOM 0 H ILE A 44 -11.113 4.311 12.681 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.451 4.219 11.815 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.809 5.379 14.271 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.488 6.797 11.943 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.162 6.282 11.887 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.716 6.595 14.729 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.502 4.836 14.885 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.905 5.680 13.437 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.989 8.631 12.550 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.665 7.656 13.876 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.965 8.179 13.933 1.00 0.00 H new ATOM 709 N MET A 45 -9.072 2.619 14.655 1.00 0.00 N ATOM 710 CA MET A 45 -8.562 1.596 15.560 1.00 0.00 C ATOM 711 C MET A 45 -8.107 0.363 14.786 1.00 0.00 C ATOM 712 O MET A 45 -7.178 -0.332 15.198 1.00 0.00 O ATOM 713 CB MET A 45 -9.634 1.206 16.579 1.00 0.00 C ATOM 714 CG MET A 45 -10.348 -0.093 16.244 1.00 0.00 C ATOM 715 SD MET A 45 -11.822 -0.356 17.249 1.00 0.00 S ATOM 716 CE MET A 45 -11.197 -1.505 18.472 1.00 0.00 C ATOM 0 H MET A 45 -9.990 2.986 14.907 1.00 0.00 H new ATOM 0 HA MET A 45 -7.702 2.009 16.088 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.172 1.114 17.562 1.00 0.00 H new ATOM 0 HB3 MET A 45 -10.369 2.008 16.646 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.628 -0.088 15.191 1.00 0.00 H new ATOM 0 HG3 MET A 45 -9.662 -0.928 16.388 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.994 -1.764 19.169 1.00 0.00 H new ATOM 0 HE2 MET A 45 -10.842 -2.408 17.975 1.00 0.00 H new ATOM 0 HE3 MET A 45 -10.374 -1.043 19.018 1.00 0.00 H new ATOM 726 N ALA A 46 -8.767 0.097 13.664 1.00 0.00 N ATOM 727 CA ALA A 46 -8.429 -1.051 12.833 1.00 0.00 C ATOM 728 C ALA A 46 -7.152 -0.797 12.039 1.00 0.00 C ATOM 729 O ALA A 46 -6.316 -1.689 11.886 1.00 0.00 O ATOM 730 CB ALA A 46 -9.580 -1.380 11.893 1.00 0.00 C ATOM 0 H ALA A 46 -9.539 0.661 13.310 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.255 -1.904 13.489 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.313 -2.240 11.278 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.471 -1.613 12.476 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.781 -0.523 11.250 1.00 0.00 H new ATOM 736 N LEU A 47 -7.007 0.423 11.536 1.00 0.00 N ATOM 737 CA LEU A 47 -5.831 0.795 10.756 1.00 0.00 C ATOM 738 C LEU A 47 -4.551 0.526 11.541 1.00 0.00 C ATOM 739 O LEU A 47 -3.619 -0.097 11.031 1.00 0.00 O ATOM 740 CB LEU A 47 -5.901 2.272 10.363 1.00 0.00 C ATOM 741 CG LEU A 47 -5.331 2.628 8.990 1.00 0.00 C ATOM 742 CD1 LEU A 47 -5.347 4.135 8.780 1.00 0.00 C ATOM 743 CD2 LEU A 47 -3.919 2.082 8.840 1.00 0.00 C ATOM 0 H LEU A 47 -7.689 1.172 11.654 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.817 0.186 9.852 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.944 2.587 10.394 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.370 2.854 11.117 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.959 2.168 8.227 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.938 4.370 7.797 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.372 4.500 8.843 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.743 4.616 9.549 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.530 2.345 7.857 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.279 2.512 9.611 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.935 0.997 8.945 1.00 0.00 H new ATOM 755 N GLU A 48 -4.513 0.997 12.783 1.00 0.00 N ATOM 756 CA GLU A 48 -3.347 0.806 13.637 1.00 0.00 C ATOM 757 C GLU A 48 -3.188 -0.663 14.019 1.00 0.00 C ATOM 758 O GLU A 48 -2.082 -1.203 14.003 1.00 0.00 O ATOM 759 CB GLU A 48 -3.466 1.662 14.900 1.00 0.00 C ATOM 760 CG GLU A 48 -2.575 1.196 16.038 1.00 0.00 C ATOM 761 CD GLU A 48 -3.275 0.221 16.965 1.00 0.00 C ATOM 762 OE1 GLU A 48 -4.438 0.484 17.334 1.00 0.00 O ATOM 763 OE2 GLU A 48 -2.658 -0.805 17.322 1.00 0.00 O ATOM 0 H GLU A 48 -5.276 1.514 13.220 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.464 1.117 13.078 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.216 2.694 14.654 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.503 1.656 15.236 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.683 0.724 15.626 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.242 2.061 16.611 1.00 0.00 H new ATOM 770 N GLU A 49 -4.301 -1.303 14.364 1.00 0.00 N ATOM 771 CA GLU A 49 -4.285 -2.709 14.752 1.00 0.00 C ATOM 772 C GLU A 49 -3.785 -3.583 13.606 1.00 0.00 C ATOM 773 O GLU A 49 -3.355 -4.718 13.817 1.00 0.00 O ATOM 774 CB GLU A 49 -5.684 -3.159 15.178 1.00 0.00 C ATOM 775 CG GLU A 49 -5.695 -4.481 15.928 1.00 0.00 C ATOM 776 CD GLU A 49 -6.225 -4.345 17.342 1.00 0.00 C ATOM 777 OE1 GLU A 49 -7.463 -4.325 17.512 1.00 0.00 O ATOM 778 OE2 GLU A 49 -5.404 -4.258 18.279 1.00 0.00 O ATOM 0 H GLU A 49 -5.225 -0.871 14.383 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.603 -2.820 15.595 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.128 -2.389 15.809 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.314 -3.248 14.293 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.307 -5.199 15.382 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.683 -4.884 15.961 1.00 0.00 H new ATOM 785 N LYS A 50 -3.844 -3.047 12.391 1.00 0.00 N ATOM 786 CA LYS A 50 -3.397 -3.776 11.210 1.00 0.00 C ATOM 787 C LYS A 50 -1.916 -3.523 10.942 1.00 0.00 C ATOM 788 O LYS A 50 -1.185 -4.427 10.539 1.00 0.00 O ATOM 789 CB LYS A 50 -4.224 -3.368 9.989 1.00 0.00 C ATOM 790 CG LYS A 50 -3.725 -3.969 8.687 1.00 0.00 C ATOM 791 CD LYS A 50 -4.573 -3.525 7.507 1.00 0.00 C ATOM 792 CE LYS A 50 -5.901 -4.265 7.466 1.00 0.00 C ATOM 793 NZ LYS A 50 -5.713 -5.735 7.318 1.00 0.00 N ATOM 0 H LYS A 50 -4.197 -2.110 12.199 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.538 -4.841 11.397 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.260 -3.670 10.145 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.218 -2.281 9.903 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.689 -3.674 8.523 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.740 -5.057 8.758 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.755 -2.452 7.571 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.028 -3.701 6.579 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.459 -4.061 8.380 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.500 -3.890 6.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.567 -6.153 6.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.896 -5.920 6.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.545 -6.159 8.252 1.00 0.00 H new ATOM 807 N PHE A 51 -1.482 -2.288 11.170 1.00 0.00 N ATOM 808 CA PHE A 51 -0.088 -1.916 10.954 1.00 0.00 C ATOM 809 C PHE A 51 0.798 -2.453 12.074 1.00 0.00 C ATOM 810 O PHE A 51 2.022 -2.479 11.952 1.00 0.00 O ATOM 811 CB PHE A 51 0.048 -0.395 10.865 1.00 0.00 C ATOM 812 CG PHE A 51 -0.031 0.133 9.461 1.00 0.00 C ATOM 813 CD1 PHE A 51 0.708 -0.450 8.445 1.00 0.00 C ATOM 814 CD2 PHE A 51 -0.844 1.214 9.158 1.00 0.00 C ATOM 815 CE1 PHE A 51 0.637 0.033 7.152 1.00 0.00 C ATOM 816 CE2 PHE A 51 -0.918 1.701 7.867 1.00 0.00 C ATOM 817 CZ PHE A 51 -0.176 1.111 6.863 1.00 0.00 C ATOM 0 H PHE A 51 -2.075 -1.528 11.504 1.00 0.00 H new ATOM 0 HA PHE A 51 0.239 -2.358 10.013 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.737 0.068 11.463 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.000 -0.097 11.304 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.347 -1.292 8.666 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.426 1.681 9.939 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.217 -0.432 6.369 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.556 2.543 7.643 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.231 1.492 5.854 1.00 0.00 H new ATOM 827 N ASN A 52 0.170 -2.880 13.164 1.00 0.00 N ATOM 828 CA ASN A 52 0.901 -3.415 14.307 1.00 0.00 C ATOM 829 C ASN A 52 1.720 -2.324 14.989 1.00 0.00 C ATOM 830 O ASN A 52 2.891 -2.523 15.315 1.00 0.00 O ATOM 831 CB ASN A 52 1.819 -4.556 13.863 1.00 0.00 C ATOM 832 CG ASN A 52 2.244 -5.440 15.020 1.00 0.00 C ATOM 833 OD1 ASN A 52 1.422 -6.127 15.625 1.00 0.00 O ATOM 834 ND2 ASN A 52 3.535 -5.425 15.332 1.00 0.00 N ATOM 0 H ASN A 52 -0.843 -2.866 13.280 1.00 0.00 H new ATOM 0 HA ASN A 52 0.175 -3.800 15.023 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.306 -5.162 13.116 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.705 -4.140 13.383 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.880 -5.999 16.101 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.181 -4.840 14.802 1.00 0.00 H new ATOM 841 N VAL A 53 1.097 -1.169 15.201 1.00 0.00 N ATOM 842 CA VAL A 53 1.768 -0.046 15.845 1.00 0.00 C ATOM 843 C VAL A 53 1.064 0.345 17.140 1.00 0.00 C ATOM 844 O VAL A 53 0.081 -0.280 17.539 1.00 0.00 O ATOM 845 CB VAL A 53 1.826 1.181 14.915 1.00 0.00 C ATOM 846 CG1 VAL A 53 3.203 1.305 14.281 1.00 0.00 C ATOM 847 CG2 VAL A 53 0.744 1.093 13.849 1.00 0.00 C ATOM 0 H VAL A 53 0.129 -0.987 14.936 1.00 0.00 H new ATOM 0 HA VAL A 53 2.784 -0.371 16.070 1.00 0.00 H new ATOM 0 HB VAL A 53 1.645 2.076 15.510 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.225 2.177 13.627 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.955 1.418 15.062 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.417 0.409 13.698 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.800 1.968 13.201 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.891 0.191 13.255 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.235 1.057 14.327 1.00 0.00 H new ATOM 857 N THR A 54 1.574 1.384 17.794 1.00 0.00 N ATOM 858 CA THR A 54 0.996 1.858 19.045 1.00 0.00 C ATOM 859 C THR A 54 0.656 3.342 18.966 1.00 0.00 C ATOM 860 O THR A 54 1.490 4.196 19.265 1.00 0.00 O ATOM 861 CB THR A 54 1.952 1.625 20.230 1.00 0.00 C ATOM 862 OG1 THR A 54 1.399 2.188 21.424 1.00 0.00 O ATOM 863 CG2 THR A 54 3.315 2.244 19.956 1.00 0.00 C ATOM 0 H THR A 54 2.387 1.913 17.478 1.00 0.00 H new ATOM 0 HA THR A 54 0.082 1.286 19.207 1.00 0.00 H new ATOM 0 HB THR A 54 2.078 0.550 20.360 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.012 2.034 22.173 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.973 2.067 20.807 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.747 1.792 19.063 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.203 3.317 19.802 1.00 0.00 H new ATOM 871 N ILE A 55 -0.574 3.641 18.561 1.00 0.00 N ATOM 872 CA ILE A 55 -1.024 5.023 18.445 1.00 0.00 C ATOM 873 C ILE A 55 -2.389 5.213 19.099 1.00 0.00 C ATOM 874 O ILE A 55 -3.212 4.298 19.120 1.00 0.00 O ATOM 875 CB ILE A 55 -1.107 5.466 16.972 1.00 0.00 C ATOM 876 CG1 ILE A 55 -0.012 4.785 16.150 1.00 0.00 C ATOM 877 CG2 ILE A 55 -0.993 6.979 16.867 1.00 0.00 C ATOM 878 CD1 ILE A 55 -0.478 3.532 15.442 1.00 0.00 C ATOM 0 H ILE A 55 -1.276 2.946 18.308 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.288 5.639 18.960 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.075 5.166 16.571 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.368 5.490 15.411 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.820 4.533 16.807 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.053 7.277 15.820 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.806 7.445 17.424 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.038 7.302 17.281 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.351 3.103 14.879 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.831 2.809 16.177 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.290 3.781 14.759 1.00 0.00 H new ATOM 890 N SER A 56 -2.622 6.408 19.632 1.00 0.00 N ATOM 891 CA SER A 56 -3.886 6.719 20.289 1.00 0.00 C ATOM 892 C SER A 56 -4.101 8.227 20.367 1.00 0.00 C ATOM 893 O SER A 56 -5.012 8.769 19.740 1.00 0.00 O ATOM 894 CB SER A 56 -3.917 6.114 21.694 1.00 0.00 C ATOM 895 OG SER A 56 -3.842 4.700 21.642 1.00 0.00 O ATOM 0 H SER A 56 -1.952 7.177 19.622 1.00 0.00 H new ATOM 0 HA SER A 56 -4.692 6.285 19.697 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.085 6.504 22.280 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.833 6.414 22.203 1.00 0.00 H new ATOM 0 HG SER A 56 -3.994 4.398 20.722 1.00 0.00 H new ATOM 901 N ASP A 57 -3.257 8.900 21.141 1.00 0.00 N ATOM 902 CA ASP A 57 -3.353 10.346 21.302 1.00 0.00 C ATOM 903 C ASP A 57 -3.160 11.055 19.965 1.00 0.00 C ATOM 904 O ASP A 57 -3.521 12.222 19.814 1.00 0.00 O ATOM 905 CB ASP A 57 -2.313 10.838 22.310 1.00 0.00 C ATOM 906 CG ASP A 57 -2.666 12.194 22.890 1.00 0.00 C ATOM 907 OD1 ASP A 57 -3.517 12.245 23.803 1.00 0.00 O ATOM 908 OD2 ASP A 57 -2.092 13.204 22.431 1.00 0.00 O ATOM 0 H ASP A 57 -2.498 8.467 21.667 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.349 10.581 21.676 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.223 10.112 23.118 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.339 10.896 21.824 1.00 0.00 H new ATOM 913 N GLN A 58 -2.587 10.343 19.001 1.00 0.00 N ATOM 914 CA GLN A 58 -2.344 10.906 17.678 1.00 0.00 C ATOM 915 C GLN A 58 -3.112 10.135 16.609 1.00 0.00 C ATOM 916 O GLN A 58 -3.448 10.680 15.557 1.00 0.00 O ATOM 917 CB GLN A 58 -0.848 10.889 17.359 1.00 0.00 C ATOM 918 CG GLN A 58 0.022 11.395 18.499 1.00 0.00 C ATOM 919 CD GLN A 58 -0.190 12.869 18.784 1.00 0.00 C ATOM 920 OE1 GLN A 58 0.088 13.723 17.942 1.00 0.00 O ATOM 921 NE2 GLN A 58 -0.684 13.176 19.978 1.00 0.00 N ATOM 0 H GLN A 58 -2.282 9.376 19.111 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.696 11.938 17.680 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.550 9.871 17.109 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.666 11.500 16.475 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.194 10.820 19.399 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.070 11.223 18.255 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.900 12.436 20.646 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.847 14.152 20.227 1.00 0.00 H new ATOM 930 N ASP A 59 -3.387 8.865 16.885 1.00 0.00 N ATOM 931 CA ASP A 59 -4.116 8.019 15.948 1.00 0.00 C ATOM 932 C ASP A 59 -5.475 8.625 15.612 1.00 0.00 C ATOM 933 O ASP A 59 -6.080 8.291 14.595 1.00 0.00 O ATOM 934 CB ASP A 59 -4.299 6.616 16.530 1.00 0.00 C ATOM 935 CG ASP A 59 -4.272 5.539 15.463 1.00 0.00 C ATOM 936 OD1 ASP A 59 -3.370 5.580 14.600 1.00 0.00 O ATOM 937 OD2 ASP A 59 -5.152 4.654 15.492 1.00 0.00 O ATOM 0 H ASP A 59 -3.116 8.399 17.751 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.532 7.950 15.030 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.511 6.422 17.258 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.247 6.569 17.066 1.00 0.00 H new ATOM 942 N ALA A 60 -5.949 9.517 16.476 1.00 0.00 N ATOM 943 CA ALA A 60 -7.235 10.170 16.271 1.00 0.00 C ATOM 944 C ALA A 60 -7.056 11.561 15.672 1.00 0.00 C ATOM 945 O ALA A 60 -7.906 12.039 14.920 1.00 0.00 O ATOM 946 CB ALA A 60 -8.000 10.254 17.584 1.00 0.00 C ATOM 0 H ALA A 60 -5.461 9.804 17.325 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.810 9.570 15.565 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.959 10.744 17.416 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.169 9.249 17.971 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.421 10.829 18.307 1.00 0.00 H new ATOM 952 N LEU A 61 -5.945 12.207 16.010 1.00 0.00 N ATOM 953 CA LEU A 61 -5.654 13.544 15.506 1.00 0.00 C ATOM 954 C LEU A 61 -4.384 13.543 14.661 1.00 0.00 C ATOM 955 O LEU A 61 -3.393 14.185 15.009 1.00 0.00 O ATOM 956 CB LEU A 61 -5.507 14.528 16.668 1.00 0.00 C ATOM 957 CG LEU A 61 -4.846 13.979 17.933 1.00 0.00 C ATOM 958 CD1 LEU A 61 -3.825 14.967 18.473 1.00 0.00 C ATOM 959 CD2 LEU A 61 -5.896 13.662 18.988 1.00 0.00 C ATOM 0 H LEU A 61 -5.231 11.826 16.631 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.487 13.857 14.876 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.928 15.384 16.322 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.498 14.899 16.931 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.326 13.055 17.678 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.365 14.559 19.373 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.056 15.144 17.721 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.321 15.908 18.713 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.408 13.272 19.881 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.444 14.570 19.240 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.589 12.916 18.599 1.00 0.00 H new ATOM 971 N LYS A 62 -4.420 12.819 13.548 1.00 0.00 N ATOM 972 CA LYS A 62 -3.274 12.736 12.650 1.00 0.00 C ATOM 973 C LYS A 62 -3.714 12.351 11.241 1.00 0.00 C ATOM 974 O LYS A 62 -3.456 13.078 10.281 1.00 0.00 O ATOM 975 CB LYS A 62 -2.261 11.717 13.176 1.00 0.00 C ATOM 976 CG LYS A 62 -0.938 11.733 12.430 1.00 0.00 C ATOM 977 CD LYS A 62 0.242 11.701 13.387 1.00 0.00 C ATOM 978 CE LYS A 62 0.217 10.455 14.260 1.00 0.00 C ATOM 979 NZ LYS A 62 1.353 10.430 15.223 1.00 0.00 N ATOM 0 H LYS A 62 -5.232 12.280 13.246 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.804 13.719 12.609 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.075 11.914 14.232 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.694 10.719 13.109 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.887 10.875 11.759 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.880 12.627 11.809 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.173 11.731 12.820 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.224 12.589 14.018 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.724 10.414 14.808 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.257 9.568 13.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.245 9.620 15.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.248 10.341 14.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.360 11.312 15.775 1.00 0.00 H new ATOM 993 N ILE A 63 -4.379 11.207 11.125 1.00 0.00 N ATOM 994 CA ILE A 63 -4.856 10.729 9.833 1.00 0.00 C ATOM 995 C ILE A 63 -5.873 11.692 9.232 1.00 0.00 C ATOM 996 O ILE A 63 -6.176 11.628 8.041 1.00 0.00 O ATOM 997 CB ILE A 63 -5.494 9.332 9.951 1.00 0.00 C ATOM 998 CG1 ILE A 63 -4.440 8.296 10.345 1.00 0.00 C ATOM 999 CG2 ILE A 63 -6.163 8.944 8.641 1.00 0.00 C ATOM 1000 CD1 ILE A 63 -4.219 8.196 11.838 1.00 0.00 C ATOM 0 H ILE A 63 -4.600 10.594 11.910 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.987 10.668 9.178 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.255 9.361 10.731 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.742 7.320 9.964 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.496 8.549 9.862 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.609 7.954 8.740 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.939 9.670 8.400 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.420 8.929 7.844 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.459 7.442 12.044 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.887 9.161 12.222 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.152 7.913 12.326 1.00 0.00 H new ATOM 1012 N ASN A 64 -6.397 12.586 10.064 1.00 0.00 N ATOM 1013 CA ASN A 64 -7.381 13.565 9.615 1.00 0.00 C ATOM 1014 C ASN A 64 -6.956 14.193 8.291 1.00 0.00 C ATOM 1015 O ASN A 64 -7.793 14.513 7.446 1.00 0.00 O ATOM 1016 CB ASN A 64 -7.567 14.654 10.672 1.00 0.00 C ATOM 1017 CG ASN A 64 -6.343 14.822 11.552 1.00 0.00 C ATOM 1018 OD1 ASN A 64 -6.382 14.538 12.749 1.00 0.00 O ATOM 1019 ND2 ASN A 64 -5.249 15.286 10.960 1.00 0.00 N ATOM 0 H ASN A 64 -6.157 12.653 11.053 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.329 13.049 9.465 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.789 15.600 10.179 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.428 14.409 11.294 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.395 15.420 11.501 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.263 15.508 9.965 1.00 0.00 H new ATOM 1026 N THR A 65 -5.650 14.367 8.116 1.00 0.00 N ATOM 1027 CA THR A 65 -5.113 14.958 6.896 1.00 0.00 C ATOM 1028 C THR A 65 -4.296 13.941 6.107 1.00 0.00 C ATOM 1029 O THR A 65 -3.399 13.296 6.648 1.00 0.00 O ATOM 1030 CB THR A 65 -4.230 16.181 7.206 1.00 0.00 C ATOM 1031 OG1 THR A 65 -2.975 15.754 7.748 1.00 0.00 O ATOM 1032 CG2 THR A 65 -4.921 17.113 8.189 1.00 0.00 C ATOM 0 H THR A 65 -4.944 14.107 8.804 1.00 0.00 H new ATOM 0 HA THR A 65 -5.966 15.278 6.297 1.00 0.00 H new ATOM 0 HB THR A 65 -4.059 16.723 6.276 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.325 16.485 7.683 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.278 17.969 8.392 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.862 17.459 7.762 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.119 16.579 9.119 1.00 0.00 H new ATOM 1040 N VAL A 66 -4.612 13.804 4.823 1.00 0.00 N ATOM 1041 CA VAL A 66 -3.906 12.867 3.958 1.00 0.00 C ATOM 1042 C VAL A 66 -2.396 13.029 4.089 1.00 0.00 C ATOM 1043 O VAL A 66 -1.643 12.067 3.941 1.00 0.00 O ATOM 1044 CB VAL A 66 -4.305 13.055 2.482 1.00 0.00 C ATOM 1045 CG1 VAL A 66 -3.378 12.264 1.573 1.00 0.00 C ATOM 1046 CG2 VAL A 66 -5.754 12.646 2.266 1.00 0.00 C ATOM 0 H VAL A 66 -5.352 14.330 4.359 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.190 11.865 4.279 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.208 14.111 2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.676 12.409 0.535 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.353 12.610 1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.440 11.205 1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.019 12.785 1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.880 11.598 2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.403 13.262 2.889 1.00 0.00 H new ATOM 1056 N GLN A 67 -1.960 14.254 4.368 1.00 0.00 N ATOM 1057 CA GLN A 67 -0.538 14.542 4.519 1.00 0.00 C ATOM 1058 C GLN A 67 0.018 13.892 5.782 1.00 0.00 C ATOM 1059 O GLN A 67 0.977 13.123 5.725 1.00 0.00 O ATOM 1060 CB GLN A 67 -0.305 16.053 4.563 1.00 0.00 C ATOM 1061 CG GLN A 67 0.926 16.501 3.791 1.00 0.00 C ATOM 1062 CD GLN A 67 2.209 16.313 4.576 1.00 0.00 C ATOM 1063 OE1 GLN A 67 2.779 17.273 5.095 1.00 0.00 O ATOM 1064 NE2 GLN A 67 2.670 15.071 4.668 1.00 0.00 N ATOM 0 H GLN A 67 -2.570 15.062 4.494 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.015 14.126 3.658 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.181 16.559 4.159 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.206 16.367 5.602 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.990 15.940 2.859 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.819 17.552 3.523 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.165 14.305 4.222 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.529 14.883 5.185 1.00 0.00 H new ATOM 1073 N ASP A 68 -0.591 14.207 6.920 1.00 0.00 N ATOM 1074 CA ASP A 68 -0.157 13.653 8.198 1.00 0.00 C ATOM 1075 C ASP A 68 -0.417 12.151 8.255 1.00 0.00 C ATOM 1076 O ASP A 68 0.279 11.417 8.956 1.00 0.00 O ATOM 1077 CB ASP A 68 -0.877 14.352 9.352 1.00 0.00 C ATOM 1078 CG ASP A 68 -0.454 15.800 9.505 1.00 0.00 C ATOM 1079 OD1 ASP A 68 -0.100 16.426 8.485 1.00 0.00 O ATOM 1080 OD2 ASP A 68 -0.478 16.307 10.647 1.00 0.00 O ATOM 0 H ASP A 68 -1.386 14.843 6.984 1.00 0.00 H new ATOM 0 HA ASP A 68 0.916 13.822 8.294 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.953 14.306 9.186 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.675 13.817 10.280 1.00 0.00 H new ATOM 1085 N ALA A 69 -1.425 11.701 7.514 1.00 0.00 N ATOM 1086 CA ALA A 69 -1.776 10.287 7.480 1.00 0.00 C ATOM 1087 C ALA A 69 -0.631 9.450 6.922 1.00 0.00 C ATOM 1088 O ALA A 69 -0.062 8.613 7.624 1.00 0.00 O ATOM 1089 CB ALA A 69 -3.037 10.076 6.655 1.00 0.00 C ATOM 0 H ALA A 69 -2.012 12.296 6.929 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.965 9.961 8.503 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.288 9.015 6.638 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.860 10.636 7.099 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.868 10.425 5.636 1.00 0.00 H new ATOM 1095 N ILE A 70 -0.298 9.680 5.657 1.00 0.00 N ATOM 1096 CA ILE A 70 0.781 8.947 5.005 1.00 0.00 C ATOM 1097 C ILE A 70 2.091 9.104 5.769 1.00 0.00 C ATOM 1098 O ILE A 70 2.943 8.215 5.749 1.00 0.00 O ATOM 1099 CB ILE A 70 0.985 9.419 3.553 1.00 0.00 C ATOM 1100 CG1 ILE A 70 1.398 10.892 3.526 1.00 0.00 C ATOM 1101 CG2 ILE A 70 -0.284 9.203 2.743 1.00 0.00 C ATOM 1102 CD1 ILE A 70 2.894 11.102 3.591 1.00 0.00 C ATOM 0 H ILE A 70 -0.760 10.368 5.062 1.00 0.00 H new ATOM 0 HA ILE A 70 0.491 7.896 4.999 1.00 0.00 H new ATOM 0 HB ILE A 70 1.784 8.829 3.103 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.014 11.352 2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.930 11.407 4.365 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.124 9.541 1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.537 8.143 2.739 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.101 9.770 3.189 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.113 12.170 3.568 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.282 10.672 4.515 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.367 10.616 2.738 1.00 0.00 H new ATOM 1114 N ASP A 71 2.245 10.239 6.442 1.00 0.00 N ATOM 1115 CA ASP A 71 3.451 10.511 7.215 1.00 0.00 C ATOM 1116 C ASP A 71 3.407 9.795 8.561 1.00 0.00 C ATOM 1117 O ASP A 71 4.442 9.568 9.189 1.00 0.00 O ATOM 1118 CB ASP A 71 3.615 12.017 7.430 1.00 0.00 C ATOM 1119 CG ASP A 71 4.757 12.346 8.371 1.00 0.00 C ATOM 1120 OD1 ASP A 71 5.786 11.640 8.326 1.00 0.00 O ATOM 1121 OD2 ASP A 71 4.622 13.311 9.152 1.00 0.00 O ATOM 0 H ASP A 71 1.550 10.985 6.468 1.00 0.00 H new ATOM 0 HA ASP A 71 4.306 10.136 6.652 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.789 12.502 6.469 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.688 12.427 7.831 1.00 0.00 H new ATOM 1126 N TYR A 72 2.204 9.442 8.999 1.00 0.00 N ATOM 1127 CA TYR A 72 2.025 8.754 10.272 1.00 0.00 C ATOM 1128 C TYR A 72 2.339 7.267 10.137 1.00 0.00 C ATOM 1129 O TYR A 72 2.869 6.647 11.060 1.00 0.00 O ATOM 1130 CB TYR A 72 0.594 8.941 10.779 1.00 0.00 C ATOM 1131 CG TYR A 72 -0.096 7.643 11.135 1.00 0.00 C ATOM 1132 CD1 TYR A 72 0.250 6.941 12.283 1.00 0.00 C ATOM 1133 CD2 TYR A 72 -1.093 7.118 10.322 1.00 0.00 C ATOM 1134 CE1 TYR A 72 -0.378 5.755 12.612 1.00 0.00 C ATOM 1135 CE2 TYR A 72 -1.727 5.933 10.643 1.00 0.00 C ATOM 1136 CZ TYR A 72 -1.366 5.256 11.789 1.00 0.00 C ATOM 1137 OH TYR A 72 -1.993 4.074 12.111 1.00 0.00 O ATOM 0 H TYR A 72 1.338 9.621 8.491 1.00 0.00 H new ATOM 0 HA TYR A 72 2.718 9.189 10.992 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.610 9.587 11.657 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.011 9.455 10.015 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.023 7.329 12.929 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.377 7.645 9.423 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.097 5.222 13.508 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.501 5.539 10.000 1.00 0.00 H new ATOM 0 HH TYR A 72 -2.560 4.209 12.899 1.00 0.00 H new ATOM 1147 N ILE A 73 2.009 6.702 8.981 1.00 0.00 N ATOM 1148 CA ILE A 73 2.257 5.289 8.723 1.00 0.00 C ATOM 1149 C ILE A 73 3.698 5.056 8.282 1.00 0.00 C ATOM 1150 O ILE A 73 4.266 3.991 8.523 1.00 0.00 O ATOM 1151 CB ILE A 73 1.306 4.738 7.644 1.00 0.00 C ATOM 1152 CG1 ILE A 73 1.686 5.291 6.269 1.00 0.00 C ATOM 1153 CG2 ILE A 73 -0.136 5.086 7.981 1.00 0.00 C ATOM 1154 CD1 ILE A 73 2.590 4.372 5.477 1.00 0.00 C ATOM 0 H ILE A 73 1.569 7.201 8.208 1.00 0.00 H new ATOM 0 HA ILE A 73 2.076 4.761 9.659 1.00 0.00 H new ATOM 0 HB ILE A 73 1.400 3.652 7.617 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.777 5.475 5.696 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.182 6.253 6.398 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.796 4.690 7.209 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.400 4.649 8.944 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.247 6.169 8.032 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.818 4.828 4.514 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.515 4.207 6.029 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.088 3.418 5.317 1.00 0.00 H new ATOM 1166 N GLU A 74 4.284 6.059 7.636 1.00 0.00 N ATOM 1167 CA GLU A 74 5.660 5.963 7.162 1.00 0.00 C ATOM 1168 C GLU A 74 6.645 6.232 8.296 1.00 0.00 C ATOM 1169 O GLU A 74 7.749 5.688 8.316 1.00 0.00 O ATOM 1170 CB GLU A 74 5.899 6.950 6.018 1.00 0.00 C ATOM 1171 CG GLU A 74 5.155 6.594 4.742 1.00 0.00 C ATOM 1172 CD GLU A 74 5.724 5.367 4.057 1.00 0.00 C ATOM 1173 OE1 GLU A 74 6.964 5.226 4.026 1.00 0.00 O ATOM 1174 OE2 GLU A 74 4.928 4.547 3.553 1.00 0.00 O ATOM 0 H GLU A 74 3.828 6.947 7.429 1.00 0.00 H new ATOM 0 HA GLU A 74 5.822 4.949 6.796 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.596 7.946 6.340 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.967 6.995 5.805 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.104 6.421 4.975 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.194 7.440 4.055 1.00 0.00 H new ATOM 1181 N LYS A 75 6.239 7.076 9.237 1.00 0.00 N ATOM 1182 CA LYS A 75 7.083 7.419 10.375 1.00 0.00 C ATOM 1183 C LYS A 75 7.021 6.334 11.446 1.00 0.00 C ATOM 1184 O LYS A 75 8.002 6.080 12.142 1.00 0.00 O ATOM 1185 CB LYS A 75 6.654 8.762 10.969 1.00 0.00 C ATOM 1186 CG LYS A 75 5.362 8.690 11.765 1.00 0.00 C ATOM 1187 CD LYS A 75 5.631 8.496 13.248 1.00 0.00 C ATOM 1188 CE LYS A 75 5.977 9.811 13.929 1.00 0.00 C ATOM 1189 NZ LYS A 75 5.318 9.938 15.258 1.00 0.00 N ATOM 0 H LYS A 75 5.329 7.536 9.234 1.00 0.00 H new ATOM 0 HA LYS A 75 8.111 7.497 10.021 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.449 9.134 11.615 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.534 9.485 10.162 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.790 9.605 11.615 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.751 7.867 11.394 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.753 8.059 13.724 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.451 7.790 13.381 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.058 9.883 14.051 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.672 10.641 13.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.579 10.848 15.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.286 9.895 15.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.628 9.160 15.875 1.00 0.00 H new ATOM 1203 N ASN A 76 5.861 5.698 11.569 1.00 0.00 N ATOM 1204 CA ASN A 76 5.671 4.639 12.555 1.00 0.00 C ATOM 1205 C ASN A 76 6.080 3.285 11.984 1.00 0.00 C ATOM 1206 O ASN A 76 7.159 2.775 12.281 1.00 0.00 O ATOM 1207 CB ASN A 76 4.211 4.593 13.010 1.00 0.00 C ATOM 1208 CG ASN A 76 3.908 5.621 14.083 1.00 0.00 C ATOM 1209 OD1 ASN A 76 4.802 6.066 14.803 1.00 0.00 O ATOM 1210 ND2 ASN A 76 2.641 6.003 14.195 1.00 0.00 N ATOM 0 H ASN A 76 5.039 5.897 10.999 1.00 0.00 H new ATOM 0 HA ASN A 76 6.305 4.858 13.414 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.560 4.764 12.152 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.983 3.597 13.390 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.376 6.692 14.899 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.933 5.608 13.577 1.00 0.00 H new ATOM 1217 N ASN A 77 5.209 2.708 11.161 1.00 0.00 N ATOM 1218 CA ASN A 77 5.480 1.413 10.548 1.00 0.00 C ATOM 1219 C ASN A 77 6.324 1.573 9.287 1.00 0.00 C ATOM 1220 O ASN A 77 5.813 1.930 8.225 1.00 0.00 O ATOM 1221 CB ASN A 77 4.168 0.702 10.210 1.00 0.00 C ATOM 1222 CG ASN A 77 3.187 1.609 9.493 1.00 0.00 C ATOM 1223 OD1 ASN A 77 2.504 2.421 10.119 1.00 0.00 O ATOM 1224 ND2 ASN A 77 3.112 1.475 8.174 1.00 0.00 N ATOM 0 H ASN A 77 4.311 3.117 10.904 1.00 0.00 H new ATOM 0 HA ASN A 77 6.039 0.810 11.263 1.00 0.00 H new ATOM 0 HB2 ASN A 77 4.379 -0.166 9.586 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.712 0.331 11.128 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.469 2.058 7.638 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.697 0.789 7.697 1.00 0.00 H new ATOM 1231 N LYS A 78 7.620 1.307 9.412 1.00 0.00 N ATOM 1232 CA LYS A 78 8.536 1.420 8.284 1.00 0.00 C ATOM 1233 C LYS A 78 9.115 0.058 7.915 1.00 0.00 C ATOM 1234 O LYS A 78 10.330 -0.100 7.801 1.00 0.00 O ATOM 1235 CB LYS A 78 9.669 2.394 8.616 1.00 0.00 C ATOM 1236 CG LYS A 78 10.342 2.112 9.948 1.00 0.00 C ATOM 1237 CD LYS A 78 11.688 2.811 10.051 1.00 0.00 C ATOM 1238 CE LYS A 78 11.536 4.245 10.535 1.00 0.00 C ATOM 1239 NZ LYS A 78 11.018 4.307 11.931 1.00 0.00 N ATOM 0 H LYS A 78 8.059 1.012 10.284 1.00 0.00 H new ATOM 0 HA LYS A 78 7.976 1.801 7.430 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.417 2.352 7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.273 3.409 8.626 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.696 2.443 10.761 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.479 1.037 10.067 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.333 2.261 10.736 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.178 2.805 9.077 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.500 4.750 10.483 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.858 4.782 9.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.314 5.201 12.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.979 4.254 11.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.399 3.509 12.478 1.00 0.00 H new ATOM 1253 N GLN A 79 8.237 -0.922 7.728 1.00 0.00 N ATOM 1254 CA GLN A 79 8.661 -2.271 7.371 1.00 0.00 C ATOM 1255 C GLN A 79 8.956 -2.371 5.878 1.00 0.00 C ATOM 1256 O GLN A 79 8.561 -1.505 5.097 1.00 0.00 O ATOM 1257 CB GLN A 79 7.587 -3.287 7.761 1.00 0.00 C ATOM 1258 CG GLN A 79 6.270 -3.092 7.026 1.00 0.00 C ATOM 1259 CD GLN A 79 5.173 -4.003 7.542 1.00 0.00 C ATOM 1260 OE1 GLN A 79 4.559 -4.748 6.778 1.00 0.00 O ATOM 1261 NE2 GLN A 79 4.921 -3.947 8.844 1.00 0.00 N ATOM 0 H GLN A 79 7.227 -0.807 7.818 1.00 0.00 H new ATOM 0 HA GLN A 79 9.576 -2.494 7.919 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.960 -4.292 7.562 1.00 0.00 H new ATOM 0 HB3 GLN A 79 7.408 -3.220 8.834 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.952 -2.054 7.127 1.00 0.00 H new ATOM 0 HG3 GLN A 79 6.421 -3.278 5.963 1.00 0.00 H new ATOM 0 HE21 GLN A 79 5.455 -3.314 9.440 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.193 -4.537 9.248 1.00 0.00 H new TER 1270 GLN A 79 HETATM 1271 P24 PNS A 137 -19.610 10.456 18.722 1.00 0.00 P HETATM 1272 O25 PNS A 137 -20.328 9.375 19.681 1.00 0.00 O HETATM 1273 O26 PNS A 137 -18.853 11.477 19.477 1.00 0.00 O HETATM 1274 O27 PNS A 137 -20.784 11.065 17.801 1.00 0.00 O HETATM 1275 C28 PNS A 137 -20.702 12.377 17.236 1.00 0.00 C HETATM 1276 C29 PNS A 137 -21.779 12.662 16.169 1.00 0.00 C HETATM 1277 C30 PNS A 137 -23.166 12.350 16.763 1.00 0.00 C HETATM 1278 C31 PNS A 137 -21.513 11.726 14.971 1.00 0.00 C HETATM 1279 C32 PNS A 137 -21.634 14.145 15.751 1.00 0.00 C HETATM 1280 O33 PNS A 137 -21.905 15.019 16.853 1.00 0.00 O HETATM 1281 C34 PNS A 137 -22.526 14.611 14.571 1.00 0.00 C HETATM 1282 O35 PNS A 137 -23.581 14.036 14.287 1.00 0.00 O HETATM 1283 N36 PNS A 137 -22.145 15.676 13.853 1.00 0.00 N HETATM 1284 C37 PNS A 137 -20.943 16.502 14.084 1.00 0.00 C HETATM 1285 C38 PNS A 137 -21.083 17.807 13.293 1.00 0.00 C HETATM 1286 C39 PNS A 137 -19.993 18.826 13.690 1.00 0.00 C HETATM 1287 O40 PNS A 137 -20.058 19.358 14.798 1.00 0.00 O HETATM 1288 N41 PNS A 137 -19.004 19.102 12.829 1.00 0.00 N HETATM 1289 C42 PNS A 137 -18.813 18.550 11.472 1.00 0.00 C HETATM 1290 C43 PNS A 137 -17.519 19.092 10.865 1.00 0.00 C HETATM 1291 S44 PNS A 137 -17.519 20.910 10.632 1.00 0.00 S HETATM 0 H432 PNS A 137 -16.683 18.817 11.509 1.00 0.00 H new HETATM 0 H431 PNS A 137 -17.351 18.611 9.901 1.00 0.00 H new HETATM 0 H422 PNS A 137 -19.660 18.816 10.840 1.00 0.00 H new HETATM 0 H421 PNS A 137 -18.776 17.461 11.515 1.00 0.00 H new HETATM 0 H382 PNS A 137 -22.068 18.238 13.471 1.00 0.00 H new HETATM 0 H381 PNS A 137 -21.015 17.596 12.226 1.00 0.00 H new HETATM 0 H372 PNS A 137 -20.049 15.964 13.770 1.00 0.00 H new HETATM 0 H371 PNS A 137 -20.830 16.715 15.147 1.00 0.00 H new HETATM 0 H313 PNS A 137 -22.260 11.904 14.197 1.00 0.00 H new HETATM 0 H312 PNS A 137 -21.571 10.688 15.300 1.00 0.00 H new HETATM 0 H311 PNS A 137 -20.520 11.924 14.568 1.00 0.00 H new HETATM 0 H303 PNS A 137 -23.935 12.548 16.016 1.00 0.00 H new HETATM 0 H302 PNS A 137 -23.338 12.979 17.636 1.00 0.00 H new HETATM 0 H301 PNS A 137 -23.208 11.301 17.057 1.00 0.00 H new HETATM 0 H282 PNS A 137 -19.717 12.509 16.789 1.00 0.00 H new HETATM 0 H281 PNS A 137 -20.791 13.113 18.035 1.00 0.00 H new HETATM 0 H44 PNS A 137 -16.322 21.307 10.318 1.00 0.00 H new HETATM 0 H41 PNS A 137 -18.302 19.770 13.147 1.00 0.00 H new HETATM 0 H36 PNS A 137 -22.743 15.942 13.071 1.00 0.00 H new HETATM 0 H33 PNS A 137 -22.813 15.378 16.770 1.00 0.00 H new HETATM 0 H32 PNS A 137 -20.599 14.202 15.415 1.00 0.00 H new