USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 562 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 51 MET CE :methyl -178:sc= -0.896 (180deg=-0.936) USER MOD Set 1.2: A 71 MET CE :methyl -141:sc= -0.844 (180deg=-3.27) USER MOD Set 2.1: A 36 MET CE :methyl 170:sc= 0 (180deg=-0.232) USER MOD Set 2.2: A 75 LYS NZ :NH3+ -134:sc= 1.19 (180deg=0.121) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.0279 X(o=-0.028,f=-0.36) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 8 GLN : amide:sc= 0.0559 K(o=0.056,f=-2.6!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -25:sc= 0.728 USER MOD Single : A 21 LYS NZ :NH3+ 178:sc= -0.216 (180deg=-0.219) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0268 USER MOD Single : A 30 LYS NZ :NH3+ 161:sc= -0.118 (180deg=-0.774) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -35:sc= 1.25 USER MOD Single : A 41 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.94) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.588 USER MOD Single : A 49 GLN : amide:sc= -0.322 K(o=-0.32,f=-1.2) USER MOD Single : A 53 ASN : amide:sc= -0.101 K(o=-0.1,f=-2.2!) USER MOD Single : A 60 ASN : amide:sc= 0.212! C(o=0.21!,f=-7.2!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -172:sc= -0.241 (180deg=-0.317) USER MOD Single : A 76 MET CE :methyl 174:sc= 0 (180deg=-0.0348) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.804 15.692 -9.099 1.00 1.43 N ATOM 2 CA ALA A 1 11.254 14.574 -9.916 1.00 1.35 C ATOM 3 C ALA A 1 11.049 13.346 -9.030 1.00 1.11 C ATOM 4 O ALA A 1 11.867 12.448 -9.002 1.00 1.30 O ATOM 5 CB ALA A 1 12.236 14.227 -11.036 1.00 2.33 C ATOM 0 H1 ALA A 1 11.943 16.527 -9.703 1.00 1.43 H new ATOM 0 H2 ALA A 1 11.138 15.924 -8.335 1.00 1.43 H new ATOM 0 H3 ALA A 1 12.716 15.406 -8.688 1.00 1.43 H new ATOM 0 HA ALA A 1 10.300 14.879 -10.347 1.00 1.35 H new ATOM 0 HB1 ALA A 1 11.833 13.409 -11.633 1.00 2.33 H new ATOM 0 HB2 ALA A 1 12.387 15.100 -11.671 1.00 2.33 H new ATOM 0 HB3 ALA A 1 13.189 13.924 -10.603 1.00 2.33 H new ATOM 13 N ASP A 2 9.965 13.292 -8.308 1.00 1.13 N ATOM 14 CA ASP A 2 9.720 12.112 -7.436 1.00 1.00 C ATOM 15 C ASP A 2 9.700 10.851 -8.292 1.00 0.80 C ATOM 16 O ASP A 2 8.648 10.314 -8.577 1.00 0.77 O ATOM 17 CB ASP A 2 8.375 12.253 -6.741 1.00 1.04 C ATOM 18 CG ASP A 2 8.447 13.374 -5.703 1.00 1.66 C ATOM 19 OD1 ASP A 2 9.547 13.700 -5.288 1.00 2.21 O ATOM 20 OD2 ASP A 2 7.401 13.887 -5.341 1.00 2.26 O ATOM 0 H ASP A 2 9.242 14.011 -8.284 1.00 1.13 H new ATOM 0 HA ASP A 2 10.512 12.049 -6.690 1.00 1.00 H new ATOM 0 HB2 ASP A 2 7.597 12.471 -7.473 1.00 1.04 H new ATOM 0 HB3 ASP A 2 8.104 11.314 -6.258 1.00 1.04 H new ATOM 25 N GLN A 3 10.836 10.296 -8.599 1.00 0.74 N ATOM 26 CA GLN A 3 10.880 8.982 -9.310 1.00 0.58 C ATOM 27 C GLN A 3 11.200 7.962 -8.215 1.00 0.38 C ATOM 28 O GLN A 3 12.205 8.093 -7.544 1.00 0.32 O ATOM 29 CB GLN A 3 11.971 8.993 -10.391 1.00 0.57 C ATOM 30 CG GLN A 3 13.352 9.041 -9.737 1.00 0.81 C ATOM 31 CD GLN A 3 14.392 9.522 -10.754 1.00 0.78 C ATOM 32 OE1 GLN A 3 14.200 10.531 -11.404 1.00 0.99 O ATOM 33 NE2 GLN A 3 15.491 8.838 -10.921 1.00 1.84 N ATOM 0 H GLN A 3 11.749 10.698 -8.387 1.00 0.74 H new ATOM 0 HA GLN A 3 9.946 8.751 -9.822 1.00 0.58 H new ATOM 0 HB2 GLN A 3 11.885 8.104 -11.015 1.00 0.57 H new ATOM 0 HB3 GLN A 3 11.839 9.855 -11.045 1.00 0.57 H new ATOM 0 HG2 GLN A 3 13.334 9.711 -8.877 1.00 0.81 H new ATOM 0 HG3 GLN A 3 13.623 8.053 -9.366 1.00 0.81 H new ATOM 0 HE21 GLN A 3 15.653 7.991 -10.376 1.00 1.84 H new ATOM 0 HE22 GLN A 3 16.188 9.150 -11.597 1.00 1.84 H new ATOM 42 N LEU A 4 10.394 6.958 -7.989 1.00 0.32 N ATOM 43 CA LEU A 4 10.768 6.007 -6.902 1.00 0.20 C ATOM 44 C LEU A 4 12.115 5.386 -7.274 1.00 0.26 C ATOM 45 O LEU A 4 12.323 4.959 -8.392 1.00 0.35 O ATOM 46 CB LEU A 4 9.705 4.916 -6.728 1.00 0.29 C ATOM 47 CG LEU A 4 8.343 5.544 -6.410 1.00 0.17 C ATOM 48 CD1 LEU A 4 7.279 4.444 -6.368 1.00 0.21 C ATOM 49 CD2 LEU A 4 8.396 6.258 -5.051 1.00 0.02 C ATOM 0 H LEU A 4 9.527 6.759 -8.487 1.00 0.32 H new ATOM 0 HA LEU A 4 10.838 6.538 -5.953 1.00 0.20 H new ATOM 0 HB2 LEU A 4 9.634 4.320 -7.638 1.00 0.29 H new ATOM 0 HB3 LEU A 4 9.997 4.239 -5.925 1.00 0.29 H new ATOM 0 HG LEU A 4 8.093 6.271 -7.183 1.00 0.17 H new ATOM 0 HD11 LEU A 4 6.308 4.885 -6.142 1.00 0.21 H new ATOM 0 HD12 LEU A 4 7.234 3.944 -7.336 1.00 0.21 H new ATOM 0 HD13 LEU A 4 7.536 3.718 -5.596 1.00 0.21 H new ATOM 0 HD21 LEU A 4 7.424 6.701 -4.834 1.00 0.02 H new ATOM 0 HD22 LEU A 4 8.649 5.539 -4.272 1.00 0.02 H new ATOM 0 HD23 LEU A 4 9.153 7.042 -5.081 1.00 0.02 H new ATOM 61 N THR A 5 13.036 5.335 -6.350 1.00 0.23 N ATOM 62 CA THR A 5 14.372 4.746 -6.651 1.00 0.31 C ATOM 63 C THR A 5 14.316 3.226 -6.503 1.00 0.37 C ATOM 64 O THR A 5 13.418 2.684 -5.892 1.00 0.39 O ATOM 65 CB THR A 5 15.406 5.304 -5.670 1.00 0.29 C ATOM 66 OG1 THR A 5 15.119 4.828 -4.363 1.00 0.29 O ATOM 67 CG2 THR A 5 15.355 6.832 -5.681 1.00 0.22 C ATOM 0 H THR A 5 12.920 5.677 -5.396 1.00 0.23 H new ATOM 0 HA THR A 5 14.652 5.002 -7.673 1.00 0.31 H new ATOM 0 HB THR A 5 16.402 4.976 -5.968 1.00 0.29 H new ATOM 0 HG1 THR A 5 15.781 5.183 -3.733 1.00 0.29 H new ATOM 0 HG21 THR A 5 16.092 7.226 -4.981 1.00 0.22 H new ATOM 0 HG22 THR A 5 15.576 7.196 -6.684 1.00 0.22 H new ATOM 0 HG23 THR A 5 14.360 7.165 -5.385 1.00 0.22 H new ATOM 75 N GLU A 6 15.266 2.534 -7.068 1.00 0.42 N ATOM 76 CA GLU A 6 15.264 1.051 -6.973 1.00 0.49 C ATOM 77 C GLU A 6 15.261 0.601 -5.507 1.00 0.49 C ATOM 78 O GLU A 6 14.587 -0.341 -5.141 1.00 0.53 O ATOM 79 CB GLU A 6 16.511 0.499 -7.666 1.00 0.55 C ATOM 80 CG GLU A 6 16.387 0.703 -9.177 1.00 1.15 C ATOM 81 CD GLU A 6 15.301 -0.222 -9.730 1.00 1.06 C ATOM 82 OE1 GLU A 6 14.970 -1.182 -9.055 1.00 2.08 O ATOM 83 OE2 GLU A 6 14.816 0.050 -10.816 1.00 0.89 O ATOM 0 H GLU A 6 16.044 2.934 -7.592 1.00 0.42 H new ATOM 0 HA GLU A 6 14.365 0.672 -7.458 1.00 0.49 H new ATOM 0 HB2 GLU A 6 17.402 1.004 -7.292 1.00 0.55 H new ATOM 0 HB3 GLU A 6 16.627 -0.561 -7.440 1.00 0.55 H new ATOM 0 HG2 GLU A 6 16.140 1.742 -9.395 1.00 1.15 H new ATOM 0 HG3 GLU A 6 17.340 0.493 -9.662 1.00 1.15 H new ATOM 90 N GLU A 7 16.004 1.261 -4.665 1.00 0.47 N ATOM 91 CA GLU A 7 16.038 0.863 -3.227 1.00 0.49 C ATOM 92 C GLU A 7 14.671 1.114 -2.584 1.00 0.46 C ATOM 93 O GLU A 7 14.168 0.292 -1.843 1.00 0.56 O ATOM 94 CB GLU A 7 17.098 1.701 -2.502 1.00 0.46 C ATOM 95 CG GLU A 7 18.476 1.425 -3.111 1.00 0.60 C ATOM 96 CD GLU A 7 19.534 2.270 -2.396 1.00 1.95 C ATOM 97 OE1 GLU A 7 19.161 3.251 -1.774 1.00 2.18 O ATOM 98 OE2 GLU A 7 20.700 1.925 -2.489 1.00 3.20 O ATOM 0 H GLU A 7 16.590 2.059 -4.908 1.00 0.47 H new ATOM 0 HA GLU A 7 16.281 -0.197 -3.150 1.00 0.49 H new ATOM 0 HB2 GLU A 7 16.858 2.761 -2.586 1.00 0.46 H new ATOM 0 HB3 GLU A 7 17.104 1.458 -1.439 1.00 0.46 H new ATOM 0 HG2 GLU A 7 18.719 0.366 -3.020 1.00 0.60 H new ATOM 0 HG3 GLU A 7 18.468 1.660 -4.175 1.00 0.60 H new ATOM 105 N GLN A 8 14.057 2.236 -2.858 1.00 0.33 N ATOM 106 CA GLN A 8 12.722 2.511 -2.253 1.00 0.30 C ATOM 107 C GLN A 8 11.744 1.446 -2.748 1.00 0.29 C ATOM 108 O GLN A 8 10.891 0.984 -2.016 1.00 0.28 O ATOM 109 CB GLN A 8 12.235 3.904 -2.661 1.00 0.30 C ATOM 110 CG GLN A 8 13.090 4.968 -1.969 1.00 0.29 C ATOM 111 CD GLN A 8 12.666 6.355 -2.455 1.00 0.34 C ATOM 112 OE1 GLN A 8 12.056 6.486 -3.498 1.00 0.59 O ATOM 113 NE2 GLN A 8 12.966 7.404 -1.739 1.00 0.97 N ATOM 0 H GLN A 8 14.419 2.968 -3.469 1.00 0.33 H new ATOM 0 HA GLN A 8 12.791 2.480 -1.166 1.00 0.30 H new ATOM 0 HB2 GLN A 8 12.297 4.020 -3.743 1.00 0.30 H new ATOM 0 HB3 GLN A 8 11.188 4.029 -2.387 1.00 0.30 H new ATOM 0 HG2 GLN A 8 12.973 4.898 -0.888 1.00 0.29 H new ATOM 0 HG3 GLN A 8 14.145 4.801 -2.187 1.00 0.29 H new ATOM 0 HE21 GLN A 8 13.478 7.295 -0.864 1.00 0.97 H new ATOM 0 HE22 GLN A 8 12.689 8.333 -2.055 1.00 0.97 H new ATOM 122 N ILE A 9 11.859 1.048 -3.989 1.00 0.30 N ATOM 123 CA ILE A 9 10.933 0.013 -4.518 1.00 0.29 C ATOM 124 C ILE A 9 11.198 -1.314 -3.804 1.00 0.26 C ATOM 125 O ILE A 9 10.282 -2.017 -3.427 1.00 0.25 O ATOM 126 CB ILE A 9 11.129 -0.145 -6.030 1.00 0.29 C ATOM 127 CG1 ILE A 9 10.728 1.157 -6.732 1.00 0.36 C ATOM 128 CG2 ILE A 9 10.251 -1.289 -6.541 1.00 0.29 C ATOM 129 CD1 ILE A 9 11.189 1.116 -8.190 1.00 0.36 C ATOM 0 H ILE A 9 12.551 1.395 -4.653 1.00 0.30 H new ATOM 0 HA ILE A 9 9.903 0.318 -4.335 1.00 0.29 H new ATOM 0 HB ILE A 9 12.175 -0.367 -6.241 1.00 0.29 H new ATOM 0 HG12 ILE A 9 9.647 1.289 -6.685 1.00 0.36 H new ATOM 0 HG13 ILE A 9 11.176 2.010 -6.222 1.00 0.36 H new ATOM 0 HG21 ILE A 9 10.390 -1.402 -7.616 1.00 0.29 H new ATOM 0 HG22 ILE A 9 10.532 -2.215 -6.040 1.00 0.29 H new ATOM 0 HG23 ILE A 9 9.205 -1.066 -6.332 1.00 0.29 H new ATOM 0 HD11 ILE A 9 10.903 2.042 -8.688 1.00 0.36 H new ATOM 0 HD12 ILE A 9 12.273 1.004 -8.226 1.00 0.36 H new ATOM 0 HD13 ILE A 9 10.720 0.272 -8.696 1.00 0.36 H new ATOM 141 N ALA A 10 12.440 -1.669 -3.624 1.00 0.25 N ATOM 142 CA ALA A 10 12.757 -2.957 -2.947 1.00 0.22 C ATOM 143 C ALA A 10 12.226 -2.955 -1.504 1.00 0.20 C ATOM 144 O ALA A 10 11.601 -3.899 -1.076 1.00 0.30 O ATOM 145 CB ALA A 10 14.286 -3.165 -2.961 1.00 0.25 C ATOM 0 H ALA A 10 13.250 -1.122 -3.917 1.00 0.25 H new ATOM 0 HA ALA A 10 12.273 -3.776 -3.479 1.00 0.22 H new ATOM 0 HB1 ALA A 10 14.530 -4.106 -2.467 1.00 0.25 H new ATOM 0 HB2 ALA A 10 14.640 -3.193 -3.992 1.00 0.25 H new ATOM 0 HB3 ALA A 10 14.770 -2.343 -2.434 1.00 0.25 H new ATOM 151 N GLU A 11 12.458 -1.913 -0.749 1.00 0.16 N ATOM 152 CA GLU A 11 11.949 -1.905 0.657 1.00 0.16 C ATOM 153 C GLU A 11 10.430 -2.062 0.622 1.00 0.12 C ATOM 154 O GLU A 11 9.847 -2.746 1.439 1.00 0.12 O ATOM 155 CB GLU A 11 12.304 -0.581 1.341 1.00 0.23 C ATOM 156 CG GLU A 11 13.772 -0.589 1.761 1.00 0.85 C ATOM 157 CD GLU A 11 13.973 -1.584 2.908 1.00 1.20 C ATOM 158 OE1 GLU A 11 12.994 -1.921 3.552 1.00 1.92 O ATOM 159 OE2 GLU A 11 15.103 -1.993 3.118 1.00 1.54 O ATOM 0 H GLU A 11 12.969 -1.079 -1.038 1.00 0.16 H new ATOM 0 HA GLU A 11 12.405 -2.722 1.215 1.00 0.16 H new ATOM 0 HB2 GLU A 11 12.116 0.251 0.662 1.00 0.23 H new ATOM 0 HB3 GLU A 11 11.668 -0.431 2.213 1.00 0.23 H new ATOM 0 HG2 GLU A 11 14.401 -0.863 0.914 1.00 0.85 H new ATOM 0 HG3 GLU A 11 14.076 0.409 2.075 1.00 0.85 H new ATOM 166 N PHE A 12 9.786 -1.434 -0.322 1.00 0.11 N ATOM 167 CA PHE A 12 8.305 -1.549 -0.409 1.00 0.07 C ATOM 168 C PHE A 12 7.920 -2.989 -0.756 1.00 0.04 C ATOM 169 O PHE A 12 6.988 -3.534 -0.199 1.00 0.06 O ATOM 170 CB PHE A 12 7.759 -0.611 -1.484 1.00 0.04 C ATOM 171 CG PHE A 12 8.180 0.840 -1.269 1.00 0.13 C ATOM 172 CD1 PHE A 12 8.692 1.310 -0.036 1.00 2.03 C ATOM 173 CD2 PHE A 12 8.027 1.736 -2.336 1.00 2.23 C ATOM 174 CE1 PHE A 12 9.038 2.659 0.103 1.00 1.99 C ATOM 175 CE2 PHE A 12 8.380 3.079 -2.189 1.00 2.27 C ATOM 176 CZ PHE A 12 8.884 3.541 -0.970 1.00 0.30 C ATOM 0 H PHE A 12 10.220 -0.848 -1.035 1.00 0.11 H new ATOM 0 HA PHE A 12 7.878 -1.273 0.555 1.00 0.07 H new ATOM 0 HB2 PHE A 12 8.106 -0.945 -2.462 1.00 0.04 H new ATOM 0 HB3 PHE A 12 6.671 -0.671 -1.494 1.00 0.04 H new ATOM 0 HD1 PHE A 12 8.815 0.630 0.794 1.00 2.03 H new ATOM 0 HD2 PHE A 12 7.633 1.385 -3.279 1.00 2.23 H new ATOM 0 HE1 PHE A 12 9.426 3.020 1.044 1.00 1.99 H new ATOM 0 HE2 PHE A 12 8.263 3.761 -3.018 1.00 2.27 H new ATOM 0 HZ PHE A 12 9.155 4.580 -0.857 1.00 0.30 H new ATOM 186 N LYS A 13 8.606 -3.613 -1.668 1.00 0.04 N ATOM 187 CA LYS A 13 8.245 -5.009 -2.034 1.00 0.04 C ATOM 188 C LYS A 13 8.443 -5.957 -0.847 1.00 0.06 C ATOM 189 O LYS A 13 7.624 -6.820 -0.601 1.00 0.10 O ATOM 190 CB LYS A 13 9.118 -5.473 -3.203 1.00 0.06 C ATOM 191 CG LYS A 13 8.851 -6.965 -3.495 1.00 0.14 C ATOM 192 CD LYS A 13 9.166 -7.284 -4.969 1.00 0.04 C ATOM 193 CE LYS A 13 7.950 -6.966 -5.851 1.00 0.14 C ATOM 194 NZ LYS A 13 6.990 -8.105 -5.804 1.00 0.79 N ATOM 0 H LYS A 13 9.399 -3.219 -2.175 1.00 0.04 H new ATOM 0 HA LYS A 13 7.194 -5.027 -2.321 1.00 0.04 H new ATOM 0 HB2 LYS A 13 8.903 -4.875 -4.089 1.00 0.06 H new ATOM 0 HB3 LYS A 13 10.171 -5.322 -2.965 1.00 0.06 H new ATOM 0 HG2 LYS A 13 9.464 -7.586 -2.842 1.00 0.14 H new ATOM 0 HG3 LYS A 13 7.810 -7.205 -3.278 1.00 0.14 H new ATOM 0 HD2 LYS A 13 10.026 -6.702 -5.299 1.00 0.04 H new ATOM 0 HD3 LYS A 13 9.434 -8.335 -5.072 1.00 0.04 H new ATOM 0 HE2 LYS A 13 7.465 -6.053 -5.505 1.00 0.14 H new ATOM 0 HE3 LYS A 13 8.269 -6.788 -6.878 1.00 0.14 H new ATOM 0 HZ1 LYS A 13 6.166 -7.890 -6.401 1.00 0.79 H new ATOM 0 HZ2 LYS A 13 7.456 -8.966 -6.154 1.00 0.79 H new ATOM 0 HZ3 LYS A 13 6.677 -8.255 -4.824 1.00 0.79 H new ATOM 208 N GLU A 14 9.511 -5.822 -0.111 1.00 0.06 N ATOM 209 CA GLU A 14 9.716 -6.744 1.042 1.00 0.09 C ATOM 210 C GLU A 14 8.576 -6.547 2.035 1.00 0.10 C ATOM 211 O GLU A 14 7.996 -7.494 2.534 1.00 0.18 O ATOM 212 CB GLU A 14 11.041 -6.432 1.737 1.00 0.11 C ATOM 213 CG GLU A 14 12.178 -6.609 0.742 1.00 0.26 C ATOM 214 CD GLU A 14 13.514 -6.303 1.421 1.00 0.79 C ATOM 215 OE1 GLU A 14 13.497 -5.642 2.446 1.00 2.01 O ATOM 216 OE2 GLU A 14 14.530 -6.739 0.907 1.00 0.55 O ATOM 0 H GLU A 14 10.241 -5.124 -0.254 1.00 0.06 H new ATOM 0 HA GLU A 14 9.736 -7.773 0.683 1.00 0.09 H new ATOM 0 HB2 GLU A 14 11.033 -5.412 2.122 1.00 0.11 H new ATOM 0 HB3 GLU A 14 11.183 -7.094 2.592 1.00 0.11 H new ATOM 0 HG2 GLU A 14 12.181 -7.629 0.357 1.00 0.26 H new ATOM 0 HG3 GLU A 14 12.033 -5.946 -0.111 1.00 0.26 H new ATOM 223 N ALA A 15 8.245 -5.317 2.323 1.00 0.03 N ATOM 224 CA ALA A 15 7.137 -5.052 3.285 1.00 0.08 C ATOM 225 C ALA A 15 5.834 -5.590 2.691 1.00 0.11 C ATOM 226 O ALA A 15 5.029 -6.186 3.373 1.00 0.16 O ATOM 227 CB ALA A 15 7.021 -3.546 3.563 1.00 0.10 C ATOM 0 H ALA A 15 8.692 -4.487 1.935 1.00 0.03 H new ATOM 0 HA ALA A 15 7.342 -5.553 4.231 1.00 0.08 H new ATOM 0 HB1 ALA A 15 6.208 -3.367 4.267 1.00 0.10 H new ATOM 0 HB2 ALA A 15 7.956 -3.181 3.988 1.00 0.10 H new ATOM 0 HB3 ALA A 15 6.816 -3.019 2.631 1.00 0.10 H new ATOM 233 N PHE A 16 5.623 -5.379 1.421 1.00 0.07 N ATOM 234 CA PHE A 16 4.382 -5.865 0.761 1.00 0.08 C ATOM 235 C PHE A 16 4.346 -7.387 0.815 1.00 0.09 C ATOM 236 O PHE A 16 3.308 -7.988 1.011 1.00 0.14 O ATOM 237 CB PHE A 16 4.405 -5.387 -0.695 1.00 0.09 C ATOM 238 CG PHE A 16 3.078 -5.634 -1.371 1.00 0.07 C ATOM 239 CD1 PHE A 16 2.832 -6.858 -2.005 1.00 0.11 C ATOM 240 CD2 PHE A 16 2.106 -4.626 -1.390 1.00 0.05 C ATOM 241 CE1 PHE A 16 1.613 -7.074 -2.660 1.00 0.11 C ATOM 242 CE2 PHE A 16 0.886 -4.842 -2.039 1.00 0.04 C ATOM 243 CZ PHE A 16 0.641 -6.066 -2.675 1.00 0.07 C ATOM 0 H PHE A 16 6.268 -4.883 0.806 1.00 0.07 H new ATOM 0 HA PHE A 16 3.497 -5.479 1.266 1.00 0.08 H new ATOM 0 HB2 PHE A 16 4.640 -4.323 -0.728 1.00 0.09 H new ATOM 0 HB3 PHE A 16 5.195 -5.905 -1.238 1.00 0.09 H new ATOM 0 HD1 PHE A 16 3.582 -7.635 -1.989 1.00 0.11 H new ATOM 0 HD2 PHE A 16 2.299 -3.681 -0.903 1.00 0.05 H new ATOM 0 HE1 PHE A 16 1.423 -8.016 -3.153 1.00 0.11 H new ATOM 0 HE2 PHE A 16 0.134 -4.067 -2.050 1.00 0.04 H new ATOM 0 HZ PHE A 16 -0.300 -6.233 -3.178 1.00 0.07 H new ATOM 253 N SER A 17 5.463 -8.017 0.608 1.00 0.20 N ATOM 254 CA SER A 17 5.492 -9.500 0.605 1.00 0.22 C ATOM 255 C SER A 17 5.135 -10.101 1.970 1.00 0.20 C ATOM 256 O SER A 17 4.587 -11.181 2.068 1.00 0.21 O ATOM 257 CB SER A 17 6.892 -9.970 0.212 1.00 0.32 C ATOM 258 OG SER A 17 7.832 -9.473 1.154 1.00 1.06 O ATOM 0 H SER A 17 6.362 -7.566 0.440 1.00 0.20 H new ATOM 0 HA SER A 17 4.743 -9.839 -0.111 1.00 0.22 H new ATOM 0 HB2 SER A 17 6.929 -11.059 0.183 1.00 0.32 H new ATOM 0 HB3 SER A 17 7.140 -9.616 -0.789 1.00 0.32 H new ATOM 0 HG SER A 17 7.478 -8.660 1.572 1.00 1.06 H new ATOM 264 N LEU A 18 5.461 -9.393 3.029 1.00 0.23 N ATOM 265 CA LEU A 18 5.176 -9.876 4.418 1.00 0.23 C ATOM 266 C LEU A 18 3.669 -10.104 4.605 1.00 0.18 C ATOM 267 O LEU A 18 3.264 -10.947 5.381 1.00 0.20 O ATOM 268 CB LEU A 18 5.635 -8.795 5.431 1.00 0.26 C ATOM 269 CG LEU A 18 7.090 -9.009 5.875 1.00 0.18 C ATOM 270 CD1 LEU A 18 7.570 -7.767 6.643 1.00 0.27 C ATOM 271 CD2 LEU A 18 7.187 -10.237 6.801 1.00 0.12 C ATOM 0 H LEU A 18 5.921 -8.484 2.986 1.00 0.23 H new ATOM 0 HA LEU A 18 5.709 -10.813 4.582 1.00 0.23 H new ATOM 0 HB2 LEU A 18 5.534 -7.808 4.980 1.00 0.26 H new ATOM 0 HB3 LEU A 18 4.982 -8.814 6.304 1.00 0.26 H new ATOM 0 HG LEU A 18 7.711 -9.172 4.994 1.00 0.18 H new ATOM 0 HD11 LEU A 18 8.602 -7.912 6.961 1.00 0.27 H new ATOM 0 HD12 LEU A 18 7.510 -6.893 5.995 1.00 0.27 H new ATOM 0 HD13 LEU A 18 6.939 -7.614 7.518 1.00 0.27 H new ATOM 0 HD21 LEU A 18 8.223 -10.379 7.110 1.00 0.12 H new ATOM 0 HD22 LEU A 18 6.565 -10.079 7.682 1.00 0.12 H new ATOM 0 HD23 LEU A 18 6.842 -11.123 6.268 1.00 0.12 H new ATOM 283 N PHE A 19 2.839 -9.346 3.932 1.00 0.15 N ATOM 284 CA PHE A 19 1.360 -9.505 4.110 1.00 0.11 C ATOM 285 C PHE A 19 0.775 -10.294 2.941 1.00 0.07 C ATOM 286 O PHE A 19 -0.425 -10.415 2.792 1.00 0.07 O ATOM 287 CB PHE A 19 0.730 -8.126 4.248 1.00 0.10 C ATOM 288 CG PHE A 19 1.302 -7.503 5.495 1.00 0.06 C ATOM 289 CD1 PHE A 19 2.567 -6.911 5.451 1.00 0.07 C ATOM 290 CD2 PHE A 19 0.590 -7.549 6.698 1.00 0.08 C ATOM 291 CE1 PHE A 19 3.125 -6.362 6.610 1.00 0.04 C ATOM 292 CE2 PHE A 19 1.146 -6.995 7.858 1.00 0.08 C ATOM 293 CZ PHE A 19 2.415 -6.404 7.813 1.00 0.02 C ATOM 0 H PHE A 19 3.120 -8.625 3.268 1.00 0.15 H new ATOM 0 HA PHE A 19 1.143 -10.070 5.016 1.00 0.11 H new ATOM 0 HB2 PHE A 19 0.950 -7.512 3.374 1.00 0.10 H new ATOM 0 HB3 PHE A 19 -0.355 -8.203 4.318 1.00 0.10 H new ATOM 0 HD1 PHE A 19 3.115 -6.877 4.521 1.00 0.07 H new ATOM 0 HD2 PHE A 19 -0.386 -8.010 6.732 1.00 0.08 H new ATOM 0 HE1 PHE A 19 4.103 -5.906 6.575 1.00 0.04 H new ATOM 0 HE2 PHE A 19 0.596 -7.024 8.787 1.00 0.08 H new ATOM 0 HZ PHE A 19 2.845 -5.980 8.709 1.00 0.02 H new ATOM 303 N ASP A 20 1.625 -10.902 2.160 1.00 0.06 N ATOM 304 CA ASP A 20 1.152 -11.774 1.046 1.00 0.05 C ATOM 305 C ASP A 20 1.267 -13.207 1.563 1.00 0.06 C ATOM 306 O ASP A 20 2.280 -13.860 1.406 1.00 0.09 O ATOM 307 CB ASP A 20 2.046 -11.587 -0.184 1.00 0.09 C ATOM 308 CG ASP A 20 1.550 -12.485 -1.319 1.00 0.13 C ATOM 309 OD1 ASP A 20 0.570 -13.182 -1.113 1.00 1.13 O ATOM 310 OD2 ASP A 20 2.159 -12.461 -2.376 1.00 0.91 O ATOM 0 H ASP A 20 2.639 -10.831 2.247 1.00 0.06 H new ATOM 0 HA ASP A 20 0.131 -11.532 0.751 1.00 0.05 H new ATOM 0 HB2 ASP A 20 2.034 -10.544 -0.500 1.00 0.09 H new ATOM 0 HB3 ASP A 20 3.079 -11.833 0.063 1.00 0.09 H new ATOM 315 N LYS A 21 0.262 -13.664 2.255 1.00 0.05 N ATOM 316 CA LYS A 21 0.319 -15.014 2.881 1.00 0.08 C ATOM 317 C LYS A 21 0.208 -16.147 1.871 1.00 0.01 C ATOM 318 O LYS A 21 0.664 -17.241 2.140 1.00 0.02 O ATOM 319 CB LYS A 21 -0.818 -15.139 3.901 1.00 0.15 C ATOM 320 CG LYS A 21 -0.730 -14.004 4.932 1.00 0.16 C ATOM 321 CD LYS A 21 0.494 -14.199 5.840 1.00 0.20 C ATOM 322 CE LYS A 21 0.322 -13.378 7.122 1.00 0.35 C ATOM 323 NZ LYS A 21 0.270 -11.928 6.780 1.00 2.14 N ATOM 0 H LYS A 21 -0.607 -13.154 2.415 1.00 0.05 H new ATOM 0 HA LYS A 21 1.294 -15.106 3.359 1.00 0.08 H new ATOM 0 HB2 LYS A 21 -1.780 -15.103 3.390 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -0.760 -16.104 4.405 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -0.662 -13.044 4.420 1.00 0.16 H new ATOM 0 HG3 LYS A 21 -1.638 -13.980 5.535 1.00 0.16 H new ATOM 0 HD2 LYS A 21 0.612 -15.254 6.086 1.00 0.20 H new ATOM 0 HD3 LYS A 21 1.399 -13.890 5.318 1.00 0.20 H new ATOM 0 HE2 LYS A 21 -0.592 -13.674 7.636 1.00 0.35 H new ATOM 0 HE3 LYS A 21 1.149 -13.572 7.805 1.00 0.35 H new ATOM 0 HZ1 LYS A 21 0.119 -11.372 7.646 1.00 2.14 H new ATOM 0 HZ2 LYS A 21 1.167 -11.643 6.338 1.00 2.14 H new ATOM 0 HZ3 LYS A 21 -0.513 -11.755 6.117 1.00 2.14 H new ATOM 337 N ASP A 22 -0.420 -15.949 0.748 1.00 0.05 N ATOM 338 CA ASP A 22 -0.581 -17.090 -0.213 1.00 0.12 C ATOM 339 C ASP A 22 0.470 -17.023 -1.319 1.00 0.17 C ATOM 340 O ASP A 22 0.495 -17.869 -2.191 1.00 0.24 O ATOM 341 CB ASP A 22 -1.972 -17.018 -0.845 1.00 0.17 C ATOM 342 CG ASP A 22 -3.030 -17.353 0.208 1.00 0.26 C ATOM 343 OD1 ASP A 22 -2.676 -17.963 1.203 1.00 0.81 O ATOM 344 OD2 ASP A 22 -4.177 -16.992 0.001 1.00 0.97 O ATOM 0 H ASP A 22 -0.826 -15.062 0.450 1.00 0.05 H new ATOM 0 HA ASP A 22 -0.456 -18.025 0.333 1.00 0.12 H new ATOM 0 HB2 ASP A 22 -2.148 -16.021 -1.248 1.00 0.17 H new ATOM 0 HB3 ASP A 22 -2.040 -17.716 -1.679 1.00 0.17 H new ATOM 349 N GLY A 23 1.339 -16.049 -1.327 1.00 0.16 N ATOM 350 CA GLY A 23 2.357 -15.990 -2.412 1.00 0.24 C ATOM 351 C GLY A 23 1.666 -15.638 -3.731 1.00 0.27 C ATOM 352 O GLY A 23 2.064 -16.086 -4.788 1.00 0.34 O ATOM 0 H GLY A 23 1.388 -15.300 -0.637 1.00 0.16 H new ATOM 0 HA2 GLY A 23 3.116 -15.244 -2.175 1.00 0.24 H new ATOM 0 HA3 GLY A 23 2.868 -16.949 -2.500 1.00 0.24 H new ATOM 356 N ASP A 24 0.634 -14.831 -3.676 1.00 0.23 N ATOM 357 CA ASP A 24 -0.091 -14.435 -4.926 1.00 0.28 C ATOM 358 C ASP A 24 0.342 -13.032 -5.368 1.00 0.25 C ATOM 359 O ASP A 24 -0.037 -12.560 -6.421 1.00 0.30 O ATOM 360 CB ASP A 24 -1.602 -14.466 -4.686 1.00 0.31 C ATOM 361 CG ASP A 24 -2.335 -14.308 -6.020 1.00 0.54 C ATOM 362 OD1 ASP A 24 -1.718 -14.545 -7.045 1.00 0.49 O ATOM 363 OD2 ASP A 24 -3.503 -13.954 -5.993 1.00 1.66 O ATOM 0 H ASP A 24 0.261 -14.428 -2.817 1.00 0.23 H new ATOM 0 HA ASP A 24 0.158 -15.144 -5.716 1.00 0.28 H new ATOM 0 HB2 ASP A 24 -1.886 -15.405 -4.212 1.00 0.31 H new ATOM 0 HB3 ASP A 24 -1.889 -13.665 -4.004 1.00 0.31 H new ATOM 368 N GLY A 25 1.154 -12.372 -4.584 1.00 0.17 N ATOM 369 CA GLY A 25 1.632 -11.015 -4.973 1.00 0.13 C ATOM 370 C GLY A 25 0.563 -9.954 -4.684 1.00 0.11 C ATOM 371 O GLY A 25 0.624 -8.857 -5.203 1.00 0.09 O ATOM 0 H GLY A 25 1.506 -12.716 -3.691 1.00 0.17 H new ATOM 0 HA2 GLY A 25 2.544 -10.776 -4.426 1.00 0.13 H new ATOM 0 HA3 GLY A 25 1.884 -11.004 -6.034 1.00 0.13 H new ATOM 375 N THR A 26 -0.423 -10.268 -3.872 1.00 0.12 N ATOM 376 CA THR A 26 -1.502 -9.270 -3.566 1.00 0.10 C ATOM 377 C THR A 26 -1.777 -9.220 -2.063 1.00 0.09 C ATOM 378 O THR A 26 -1.518 -10.156 -1.333 1.00 0.09 O ATOM 379 CB THR A 26 -2.793 -9.660 -4.293 1.00 0.13 C ATOM 380 OG1 THR A 26 -3.216 -10.942 -3.849 1.00 0.16 O ATOM 381 CG2 THR A 26 -2.543 -9.698 -5.802 1.00 0.13 C ATOM 0 H THR A 26 -0.527 -11.171 -3.409 1.00 0.12 H new ATOM 0 HA THR A 26 -1.166 -8.289 -3.903 1.00 0.10 H new ATOM 0 HB THR A 26 -3.568 -8.925 -4.075 1.00 0.13 H new ATOM 0 HG1 THR A 26 -4.043 -11.192 -4.312 1.00 0.16 H new ATOM 0 HG21 THR A 26 -3.463 -9.976 -6.316 1.00 0.13 H new ATOM 0 HG22 THR A 26 -2.220 -8.714 -6.142 1.00 0.13 H new ATOM 0 HG23 THR A 26 -1.768 -10.431 -6.024 1.00 0.13 H new ATOM 389 N ILE A 27 -2.323 -8.123 -1.613 1.00 0.08 N ATOM 390 CA ILE A 27 -2.660 -7.966 -0.167 1.00 0.06 C ATOM 391 C ILE A 27 -4.079 -7.414 -0.082 1.00 0.08 C ATOM 392 O ILE A 27 -4.559 -6.784 -1.003 1.00 0.11 O ATOM 393 CB ILE A 27 -1.678 -6.996 0.510 1.00 0.06 C ATOM 394 CG1 ILE A 27 -1.744 -5.615 -0.159 1.00 0.06 C ATOM 395 CG2 ILE A 27 -0.255 -7.554 0.402 1.00 0.07 C ATOM 396 CD1 ILE A 27 -0.796 -4.649 0.558 1.00 0.07 C ATOM 0 H ILE A 27 -2.553 -7.317 -2.194 1.00 0.08 H new ATOM 0 HA ILE A 27 -2.589 -8.926 0.344 1.00 0.06 H new ATOM 0 HB ILE A 27 -1.952 -6.890 1.560 1.00 0.06 H new ATOM 0 HG12 ILE A 27 -1.469 -5.696 -1.211 1.00 0.06 H new ATOM 0 HG13 ILE A 27 -2.764 -5.232 -0.125 1.00 0.06 H new ATOM 0 HG21 ILE A 27 0.442 -6.867 0.882 1.00 0.07 H new ATOM 0 HG22 ILE A 27 -0.206 -8.524 0.896 1.00 0.07 H new ATOM 0 HG23 ILE A 27 0.012 -7.668 -0.649 1.00 0.07 H new ATOM 0 HD11 ILE A 27 -0.845 -3.670 0.081 1.00 0.07 H new ATOM 0 HD12 ILE A 27 -1.091 -4.559 1.603 1.00 0.07 H new ATOM 0 HD13 ILE A 27 0.224 -5.030 0.500 1.00 0.07 H new ATOM 408 N THR A 28 -4.765 -7.642 0.998 1.00 0.08 N ATOM 409 CA THR A 28 -6.157 -7.124 1.099 1.00 0.09 C ATOM 410 C THR A 28 -6.152 -5.660 1.531 1.00 0.06 C ATOM 411 O THR A 28 -5.181 -5.154 2.060 1.00 0.02 O ATOM 412 CB THR A 28 -6.935 -7.924 2.142 1.00 0.11 C ATOM 413 OG1 THR A 28 -6.668 -7.386 3.433 1.00 0.09 O ATOM 414 CG2 THR A 28 -6.515 -9.396 2.100 1.00 0.12 C ATOM 0 H THR A 28 -4.428 -8.160 1.810 1.00 0.08 H new ATOM 0 HA THR A 28 -6.625 -7.219 0.119 1.00 0.09 H new ATOM 0 HB THR A 28 -8.001 -7.858 1.926 1.00 0.11 H new ATOM 0 HG1 THR A 28 -7.165 -7.893 4.108 1.00 0.09 H new ATOM 0 HG21 THR A 28 -7.076 -9.956 2.848 1.00 0.12 H new ATOM 0 HG22 THR A 28 -6.720 -9.805 1.111 1.00 0.12 H new ATOM 0 HG23 THR A 28 -5.449 -9.476 2.311 1.00 0.12 H new ATOM 422 N THR A 29 -7.246 -4.984 1.318 1.00 0.08 N ATOM 423 CA THR A 29 -7.355 -3.556 1.715 1.00 0.06 C ATOM 424 C THR A 29 -7.244 -3.409 3.240 1.00 0.07 C ATOM 425 O THR A 29 -6.729 -2.429 3.741 1.00 0.06 O ATOM 426 CB THR A 29 -8.713 -3.023 1.242 1.00 0.07 C ATOM 427 OG1 THR A 29 -9.717 -3.995 1.501 1.00 0.08 O ATOM 428 CG2 THR A 29 -8.656 -2.732 -0.261 1.00 0.07 C ATOM 0 H THR A 29 -8.082 -5.369 0.878 1.00 0.08 H new ATOM 0 HA THR A 29 -6.544 -2.989 1.258 1.00 0.06 H new ATOM 0 HB THR A 29 -8.949 -2.104 1.778 1.00 0.07 H new ATOM 0 HG1 THR A 29 -10.586 -3.656 1.201 1.00 0.08 H new ATOM 0 HG21 THR A 29 -9.622 -2.353 -0.595 1.00 0.07 H new ATOM 0 HG22 THR A 29 -7.886 -1.986 -0.458 1.00 0.07 H new ATOM 0 HG23 THR A 29 -8.419 -3.649 -0.800 1.00 0.07 H new ATOM 436 N LYS A 30 -7.737 -4.362 3.980 1.00 0.10 N ATOM 437 CA LYS A 30 -7.680 -4.273 5.471 1.00 0.13 C ATOM 438 C LYS A 30 -6.230 -4.329 5.971 1.00 0.11 C ATOM 439 O LYS A 30 -5.942 -3.933 7.084 1.00 0.14 O ATOM 440 CB LYS A 30 -8.461 -5.446 6.064 1.00 0.17 C ATOM 441 CG LYS A 30 -9.951 -5.270 5.760 1.00 0.26 C ATOM 442 CD LYS A 30 -10.735 -6.443 6.352 1.00 0.39 C ATOM 443 CE LYS A 30 -12.225 -6.268 6.047 1.00 1.87 C ATOM 444 NZ LYS A 30 -12.423 -6.182 4.572 1.00 3.55 N ATOM 0 H LYS A 30 -8.180 -5.205 3.616 1.00 0.10 H new ATOM 0 HA LYS A 30 -8.115 -3.324 5.783 1.00 0.13 H new ATOM 0 HB2 LYS A 30 -8.101 -6.386 5.645 1.00 0.17 H new ATOM 0 HB3 LYS A 30 -8.302 -5.496 7.141 1.00 0.17 H new ATOM 0 HG2 LYS A 30 -10.310 -4.330 6.180 1.00 0.26 H new ATOM 0 HG3 LYS A 30 -10.110 -5.219 4.683 1.00 0.26 H new ATOM 0 HD2 LYS A 30 -10.375 -7.383 5.933 1.00 0.39 H new ATOM 0 HD3 LYS A 30 -10.577 -6.493 7.429 1.00 0.39 H new ATOM 0 HE2 LYS A 30 -12.791 -7.107 6.452 1.00 1.87 H new ATOM 0 HE3 LYS A 30 -12.602 -5.366 6.529 1.00 1.87 H new ATOM 0 HZ1 LYS A 30 -13.417 -6.385 4.343 1.00 3.55 H new ATOM 0 HZ2 LYS A 30 -12.181 -5.225 4.244 1.00 3.55 H new ATOM 0 HZ3 LYS A 30 -11.809 -6.875 4.098 1.00 3.55 H new ATOM 458 N GLU A 31 -5.317 -4.853 5.185 1.00 0.07 N ATOM 459 CA GLU A 31 -3.896 -4.968 5.661 1.00 0.08 C ATOM 460 C GLU A 31 -3.066 -3.800 5.115 1.00 0.08 C ATOM 461 O GLU A 31 -1.890 -3.681 5.396 1.00 0.17 O ATOM 462 CB GLU A 31 -3.299 -6.283 5.158 1.00 0.07 C ATOM 463 CG GLU A 31 -4.101 -7.458 5.719 1.00 0.10 C ATOM 464 CD GLU A 31 -3.701 -8.744 4.993 1.00 0.08 C ATOM 465 OE1 GLU A 31 -3.178 -8.643 3.895 1.00 0.25 O ATOM 466 OE2 GLU A 31 -3.925 -9.807 5.547 1.00 0.22 O ATOM 0 H GLU A 31 -5.490 -5.203 4.243 1.00 0.07 H new ATOM 0 HA GLU A 31 -3.881 -4.944 6.751 1.00 0.08 H new ATOM 0 HB2 GLU A 31 -3.313 -6.307 4.068 1.00 0.07 H new ATOM 0 HB3 GLU A 31 -2.256 -6.362 5.465 1.00 0.07 H new ATOM 0 HG2 GLU A 31 -3.917 -7.560 6.789 1.00 0.10 H new ATOM 0 HG3 GLU A 31 -5.168 -7.275 5.595 1.00 0.10 H new ATOM 473 N LEU A 32 -3.664 -2.942 4.336 1.00 0.08 N ATOM 474 CA LEU A 32 -2.900 -1.789 3.776 1.00 0.06 C ATOM 475 C LEU A 32 -2.365 -0.916 4.920 1.00 0.07 C ATOM 476 O LEU A 32 -1.193 -0.601 4.976 1.00 0.06 O ATOM 477 CB LEU A 32 -3.829 -0.976 2.861 1.00 0.05 C ATOM 478 CG LEU A 32 -3.183 0.358 2.475 1.00 0.03 C ATOM 479 CD1 LEU A 32 -1.791 0.108 1.893 1.00 0.03 C ATOM 480 CD2 LEU A 32 -4.056 1.048 1.423 1.00 0.02 C ATOM 0 H LEU A 32 -4.646 -2.988 4.063 1.00 0.08 H new ATOM 0 HA LEU A 32 -2.050 -2.148 3.195 1.00 0.06 H new ATOM 0 HB2 LEU A 32 -4.054 -1.550 1.962 1.00 0.05 H new ATOM 0 HB3 LEU A 32 -4.777 -0.793 3.368 1.00 0.05 H new ATOM 0 HG LEU A 32 -3.095 0.990 3.358 1.00 0.03 H new ATOM 0 HD11 LEU A 32 -1.335 1.059 1.620 1.00 0.03 H new ATOM 0 HD12 LEU A 32 -1.170 -0.392 2.637 1.00 0.03 H new ATOM 0 HD13 LEU A 32 -1.875 -0.522 1.007 1.00 0.03 H new ATOM 0 HD21 LEU A 32 -3.604 1.999 1.142 1.00 0.02 H new ATOM 0 HD22 LEU A 32 -4.137 0.411 0.543 1.00 0.02 H new ATOM 0 HD23 LEU A 32 -5.049 1.226 1.835 1.00 0.02 H new ATOM 492 N GLY A 33 -3.210 -0.524 5.835 1.00 0.07 N ATOM 493 CA GLY A 33 -2.744 0.325 6.968 1.00 0.08 C ATOM 494 C GLY A 33 -1.562 -0.341 7.685 1.00 0.07 C ATOM 495 O GLY A 33 -0.567 0.293 7.972 1.00 0.08 O ATOM 0 H GLY A 33 -4.203 -0.755 5.847 1.00 0.07 H new ATOM 0 HA2 GLY A 33 -2.447 1.306 6.597 1.00 0.08 H new ATOM 0 HA3 GLY A 33 -3.561 0.484 7.671 1.00 0.08 H new ATOM 499 N THR A 34 -1.664 -1.606 7.997 1.00 0.07 N ATOM 500 CA THR A 34 -0.540 -2.283 8.715 1.00 0.07 C ATOM 501 C THR A 34 0.738 -2.220 7.867 1.00 0.06 C ATOM 502 O THR A 34 1.811 -1.956 8.374 1.00 0.06 O ATOM 503 CB THR A 34 -0.907 -3.742 8.995 1.00 0.09 C ATOM 504 OG1 THR A 34 -2.140 -3.790 9.697 1.00 0.14 O ATOM 505 CG2 THR A 34 0.187 -4.395 9.841 1.00 0.07 C ATOM 0 H THR A 34 -2.469 -2.197 7.789 1.00 0.07 H new ATOM 0 HA THR A 34 -0.363 -1.771 9.661 1.00 0.07 H new ATOM 0 HB THR A 34 -1.002 -4.280 8.051 1.00 0.09 H new ATOM 0 HG1 THR A 34 -2.378 -4.724 9.876 1.00 0.14 H new ATOM 0 HG21 THR A 34 -0.077 -5.434 10.039 1.00 0.07 H new ATOM 0 HG22 THR A 34 1.134 -4.358 9.303 1.00 0.07 H new ATOM 0 HG23 THR A 34 0.285 -3.860 10.785 1.00 0.07 H new ATOM 513 N VAL A 35 0.639 -2.437 6.580 1.00 0.06 N ATOM 514 CA VAL A 35 1.862 -2.358 5.727 1.00 0.07 C ATOM 515 C VAL A 35 2.409 -0.927 5.833 1.00 0.05 C ATOM 516 O VAL A 35 3.597 -0.706 5.959 1.00 0.10 O ATOM 517 CB VAL A 35 1.508 -2.669 4.267 1.00 0.11 C ATOM 518 CG1 VAL A 35 2.705 -2.343 3.369 1.00 0.09 C ATOM 519 CG2 VAL A 35 1.153 -4.153 4.123 1.00 0.16 C ATOM 0 H VAL A 35 -0.225 -2.663 6.088 1.00 0.06 H new ATOM 0 HA VAL A 35 2.605 -3.082 6.061 1.00 0.07 H new ATOM 0 HB VAL A 35 0.652 -2.063 3.970 1.00 0.11 H new ATOM 0 HG11 VAL A 35 2.453 -2.564 2.332 1.00 0.09 H new ATOM 0 HG12 VAL A 35 2.954 -1.286 3.464 1.00 0.09 H new ATOM 0 HG13 VAL A 35 3.561 -2.946 3.671 1.00 0.09 H new ATOM 0 HG21 VAL A 35 0.902 -4.368 3.084 1.00 0.16 H new ATOM 0 HG22 VAL A 35 2.005 -4.762 4.424 1.00 0.16 H new ATOM 0 HG23 VAL A 35 0.298 -4.386 4.758 1.00 0.16 H new ATOM 529 N MET A 36 1.530 0.040 5.796 1.00 0.09 N ATOM 530 CA MET A 36 1.960 1.465 5.907 1.00 0.06 C ATOM 531 C MET A 36 2.665 1.691 7.254 1.00 0.04 C ATOM 532 O MET A 36 3.724 2.282 7.325 1.00 0.08 O ATOM 533 CB MET A 36 0.728 2.371 5.799 1.00 0.05 C ATOM 534 CG MET A 36 0.306 2.511 4.329 1.00 0.14 C ATOM 535 SD MET A 36 1.302 3.796 3.533 1.00 1.20 S ATOM 536 CE MET A 36 0.782 3.466 1.830 1.00 0.40 C ATOM 0 H MET A 36 0.525 -0.098 5.693 1.00 0.09 H new ATOM 0 HA MET A 36 2.656 1.703 5.103 1.00 0.06 H new ATOM 0 HB2 MET A 36 -0.092 1.954 6.383 1.00 0.05 H new ATOM 0 HB3 MET A 36 0.951 3.353 6.217 1.00 0.05 H new ATOM 0 HG2 MET A 36 0.437 1.561 3.810 1.00 0.14 H new ATOM 0 HG3 MET A 36 -0.752 2.765 4.266 1.00 0.14 H new ATOM 0 HE1 MET A 36 1.141 4.263 1.179 1.00 0.40 H new ATOM 0 HE2 MET A 36 1.197 2.514 1.501 1.00 0.40 H new ATOM 0 HE3 MET A 36 -0.306 3.423 1.784 1.00 0.40 H new ATOM 546 N ARG A 37 2.082 1.201 8.323 1.00 0.09 N ATOM 547 CA ARG A 37 2.701 1.353 9.677 1.00 0.12 C ATOM 548 C ARG A 37 4.079 0.681 9.677 1.00 0.08 C ATOM 549 O ARG A 37 5.032 1.195 10.231 1.00 0.09 O ATOM 550 CB ARG A 37 1.799 0.659 10.712 1.00 0.23 C ATOM 551 CG ARG A 37 0.621 1.581 11.081 1.00 0.27 C ATOM 552 CD ARG A 37 1.099 2.764 11.960 1.00 0.86 C ATOM 553 NE ARG A 37 0.138 2.984 13.091 1.00 0.40 N ATOM 554 CZ ARG A 37 -1.155 3.015 12.890 1.00 0.76 C ATOM 555 NH1 ARG A 37 -1.637 2.987 11.680 1.00 0.69 N ATOM 556 NH2 ARG A 37 -1.969 3.116 13.907 1.00 1.54 N ATOM 0 H ARG A 37 1.195 0.697 8.314 1.00 0.09 H new ATOM 0 HA ARG A 37 2.809 2.409 9.924 1.00 0.12 H new ATOM 0 HB2 ARG A 37 1.424 -0.281 10.308 1.00 0.23 H new ATOM 0 HB3 ARG A 37 2.375 0.415 11.605 1.00 0.23 H new ATOM 0 HG2 ARG A 37 0.155 1.963 10.173 1.00 0.27 H new ATOM 0 HG3 ARG A 37 -0.139 1.010 11.614 1.00 0.27 H new ATOM 0 HD2 ARG A 37 2.094 2.557 12.353 1.00 0.86 H new ATOM 0 HD3 ARG A 37 1.176 3.668 11.356 1.00 0.86 H new ATOM 0 HE ARG A 37 0.500 3.112 14.036 1.00 0.40 H new ATOM 0 HH11 ARG A 37 -1.005 2.941 10.880 1.00 0.69 H new ATOM 0 HH12 ARG A 37 -2.646 3.011 11.532 1.00 0.69 H new ATOM 0 HH21 ARG A 37 -1.596 3.171 14.855 1.00 1.54 H new ATOM 0 HH22 ARG A 37 -2.977 3.140 13.753 1.00 1.54 H new ATOM 570 N SER A 38 4.197 -0.455 9.041 1.00 0.08 N ATOM 571 CA SER A 38 5.517 -1.148 8.985 1.00 0.10 C ATOM 572 C SER A 38 6.470 -0.328 8.104 1.00 0.10 C ATOM 573 O SER A 38 7.675 -0.422 8.236 1.00 0.13 O ATOM 574 CB SER A 38 5.347 -2.553 8.409 1.00 0.16 C ATOM 575 OG SER A 38 5.074 -2.457 7.017 1.00 0.13 O ATOM 0 H SER A 38 3.436 -0.933 8.558 1.00 0.08 H new ATOM 0 HA SER A 38 5.930 -1.235 9.990 1.00 0.10 H new ATOM 0 HB2 SER A 38 6.251 -3.139 8.575 1.00 0.16 H new ATOM 0 HB3 SER A 38 4.533 -3.071 8.917 1.00 0.16 H new ATOM 0 HG SER A 38 4.528 -1.662 6.845 1.00 0.13 H new ATOM 581 N LEU A 39 5.955 0.466 7.201 1.00 0.10 N ATOM 582 CA LEU A 39 6.856 1.271 6.320 1.00 0.16 C ATOM 583 C LEU A 39 7.240 2.589 7.009 1.00 0.14 C ATOM 584 O LEU A 39 8.066 3.333 6.517 1.00 0.18 O ATOM 585 CB LEU A 39 6.152 1.579 4.993 1.00 0.22 C ATOM 586 CG LEU A 39 6.072 0.315 4.120 1.00 0.26 C ATOM 587 CD1 LEU A 39 5.252 0.631 2.867 1.00 0.27 C ATOM 588 CD2 LEU A 39 7.485 -0.152 3.706 1.00 0.25 C ATOM 0 H LEU A 39 4.956 0.592 7.035 1.00 0.10 H new ATOM 0 HA LEU A 39 7.759 0.692 6.128 1.00 0.16 H new ATOM 0 HB2 LEU A 39 5.149 1.959 5.186 1.00 0.22 H new ATOM 0 HB3 LEU A 39 6.692 2.362 4.461 1.00 0.22 H new ATOM 0 HG LEU A 39 5.598 -0.483 4.691 1.00 0.26 H new ATOM 0 HD11 LEU A 39 5.188 -0.258 2.240 1.00 0.27 H new ATOM 0 HD12 LEU A 39 4.249 0.943 3.158 1.00 0.27 H new ATOM 0 HD13 LEU A 39 5.734 1.434 2.310 1.00 0.27 H new ATOM 0 HD21 LEU A 39 7.406 -1.047 3.089 1.00 0.25 H new ATOM 0 HD22 LEU A 39 7.977 0.638 3.138 1.00 0.25 H new ATOM 0 HD23 LEU A 39 8.070 -0.376 4.598 1.00 0.25 H new ATOM 600 N GLY A 40 6.674 2.877 8.157 1.00 0.09 N ATOM 601 CA GLY A 40 7.033 4.138 8.890 1.00 0.12 C ATOM 602 C GLY A 40 6.035 5.262 8.589 1.00 0.20 C ATOM 603 O GLY A 40 6.406 6.419 8.543 1.00 0.23 O ATOM 0 H GLY A 40 5.977 2.294 8.621 1.00 0.09 H new ATOM 0 HA2 GLY A 40 7.053 3.944 9.962 1.00 0.12 H new ATOM 0 HA3 GLY A 40 8.036 4.454 8.604 1.00 0.12 H new ATOM 607 N GLN A 41 4.777 4.946 8.403 1.00 0.21 N ATOM 608 CA GLN A 41 3.754 6.009 8.127 1.00 0.28 C ATOM 609 C GLN A 41 2.620 5.860 9.146 1.00 0.28 C ATOM 610 O GLN A 41 2.366 4.778 9.637 1.00 0.24 O ATOM 611 CB GLN A 41 3.196 5.818 6.714 1.00 0.29 C ATOM 612 CG GLN A 41 4.335 5.918 5.695 1.00 0.36 C ATOM 613 CD GLN A 41 4.848 7.359 5.640 1.00 0.90 C ATOM 614 OE1 GLN A 41 4.073 8.293 5.699 1.00 1.65 O ATOM 615 NE2 GLN A 41 6.129 7.582 5.526 1.00 1.77 N ATOM 0 H GLN A 41 4.411 3.994 8.430 1.00 0.21 H new ATOM 0 HA GLN A 41 4.204 6.999 8.205 1.00 0.28 H new ATOM 0 HB2 GLN A 41 2.706 4.848 6.633 1.00 0.29 H new ATOM 0 HB3 GLN A 41 2.440 6.575 6.505 1.00 0.29 H new ATOM 0 HG2 GLN A 41 5.145 5.243 5.972 1.00 0.36 H new ATOM 0 HG3 GLN A 41 3.984 5.608 4.711 1.00 0.36 H new ATOM 0 HE21 GLN A 41 6.781 6.799 5.476 1.00 1.77 H new ATOM 0 HE22 GLN A 41 6.478 8.539 5.487 1.00 1.77 H new ATOM 624 N ASN A 42 1.941 6.932 9.483 1.00 0.33 N ATOM 625 CA ASN A 42 0.828 6.869 10.486 1.00 0.33 C ATOM 626 C ASN A 42 -0.405 7.572 9.904 1.00 0.35 C ATOM 627 O ASN A 42 -0.635 8.737 10.160 1.00 0.40 O ATOM 628 CB ASN A 42 1.261 7.597 11.762 1.00 0.39 C ATOM 629 CG ASN A 42 0.234 7.348 12.869 1.00 0.41 C ATOM 630 OD1 ASN A 42 0.135 6.253 13.388 1.00 1.24 O ATOM 631 ND2 ASN A 42 -0.538 8.326 13.257 1.00 1.44 N ATOM 0 H ASN A 42 2.113 7.861 9.100 1.00 0.33 H new ATOM 0 HA ASN A 42 0.592 5.830 10.715 1.00 0.33 H new ATOM 0 HB2 ASN A 42 2.243 7.246 12.078 1.00 0.39 H new ATOM 0 HB3 ASN A 42 1.352 8.666 11.570 1.00 0.39 H new ATOM 0 HD21 ASN A 42 -1.224 8.172 13.996 1.00 1.44 H new ATOM 0 HD22 ASN A 42 -0.455 9.245 12.822 1.00 1.44 H new ATOM 638 N PRO A 43 -1.182 6.879 9.112 1.00 0.32 N ATOM 639 CA PRO A 43 -2.395 7.456 8.466 1.00 0.34 C ATOM 640 C PRO A 43 -3.634 7.444 9.377 1.00 0.33 C ATOM 641 O PRO A 43 -3.782 6.575 10.213 1.00 0.34 O ATOM 642 CB PRO A 43 -2.599 6.525 7.261 1.00 0.33 C ATOM 643 CG PRO A 43 -2.115 5.190 7.724 1.00 0.28 C ATOM 644 CD PRO A 43 -0.994 5.461 8.738 1.00 0.27 C ATOM 0 HA PRO A 43 -2.264 8.508 8.212 1.00 0.34 H new ATOM 0 HB2 PRO A 43 -3.647 6.485 6.965 1.00 0.33 H new ATOM 0 HB3 PRO A 43 -2.036 6.871 6.394 1.00 0.33 H new ATOM 0 HG2 PRO A 43 -2.924 4.622 8.183 1.00 0.28 H new ATOM 0 HG3 PRO A 43 -1.746 4.599 6.886 1.00 0.28 H new ATOM 0 HD2 PRO A 43 -1.074 4.806 9.605 1.00 0.27 H new ATOM 0 HD3 PRO A 43 -0.010 5.291 8.300 1.00 0.27 H new ATOM 652 N THR A 44 -4.536 8.382 9.217 1.00 0.33 N ATOM 653 CA THR A 44 -5.758 8.377 10.075 1.00 0.32 C ATOM 654 C THR A 44 -6.773 7.405 9.482 1.00 0.32 C ATOM 655 O THR A 44 -6.610 6.921 8.379 1.00 0.33 O ATOM 656 CB THR A 44 -6.382 9.770 10.142 1.00 0.31 C ATOM 657 OG1 THR A 44 -6.579 10.260 8.827 1.00 0.31 O ATOM 658 CG2 THR A 44 -5.461 10.717 10.913 1.00 0.38 C ATOM 0 H THR A 44 -4.479 9.141 8.538 1.00 0.33 H new ATOM 0 HA THR A 44 -5.478 8.072 11.083 1.00 0.32 H new ATOM 0 HB THR A 44 -7.341 9.711 10.657 1.00 0.31 H new ATOM 0 HG1 THR A 44 -6.981 11.153 8.867 1.00 0.31 H new ATOM 0 HG21 THR A 44 -5.912 11.708 10.957 1.00 0.38 H new ATOM 0 HG22 THR A 44 -5.316 10.339 11.925 1.00 0.38 H new ATOM 0 HG23 THR A 44 -4.497 10.779 10.407 1.00 0.38 H new ATOM 666 N GLU A 45 -7.813 7.100 10.205 1.00 0.32 N ATOM 667 CA GLU A 45 -8.823 6.143 9.682 1.00 0.32 C ATOM 668 C GLU A 45 -9.500 6.717 8.434 1.00 0.25 C ATOM 669 O GLU A 45 -9.673 6.031 7.445 1.00 0.23 O ATOM 670 CB GLU A 45 -9.868 5.875 10.761 1.00 0.35 C ATOM 671 CG GLU A 45 -9.275 4.963 11.835 1.00 0.51 C ATOM 672 CD GLU A 45 -10.322 4.709 12.920 1.00 0.44 C ATOM 673 OE1 GLU A 45 -11.333 5.391 12.910 1.00 1.56 O ATOM 674 OE2 GLU A 45 -10.095 3.838 13.743 1.00 1.20 O ATOM 0 H GLU A 45 -8.006 7.472 11.135 1.00 0.32 H new ATOM 0 HA GLU A 45 -8.328 5.210 9.412 1.00 0.32 H new ATOM 0 HB2 GLU A 45 -10.194 6.815 11.207 1.00 0.35 H new ATOM 0 HB3 GLU A 45 -10.749 5.409 10.320 1.00 0.35 H new ATOM 0 HG2 GLU A 45 -8.958 4.019 11.392 1.00 0.51 H new ATOM 0 HG3 GLU A 45 -8.388 5.424 12.270 1.00 0.51 H new ATOM 681 N ALA A 46 -9.890 7.959 8.462 1.00 0.22 N ATOM 682 CA ALA A 46 -10.557 8.548 7.266 1.00 0.16 C ATOM 683 C ALA A 46 -9.598 8.526 6.074 1.00 0.18 C ATOM 684 O ALA A 46 -9.998 8.268 4.957 1.00 0.17 O ATOM 685 CB ALA A 46 -10.976 9.991 7.564 1.00 0.12 C ATOM 0 H ALA A 46 -9.778 8.590 9.255 1.00 0.22 H new ATOM 0 HA ALA A 46 -11.442 7.959 7.025 1.00 0.16 H new ATOM 0 HB1 ALA A 46 -11.463 10.417 6.687 1.00 0.12 H new ATOM 0 HB2 ALA A 46 -11.669 10.002 8.405 1.00 0.12 H new ATOM 0 HB3 ALA A 46 -10.094 10.582 7.812 1.00 0.12 H new ATOM 691 N GLU A 47 -8.337 8.774 6.290 1.00 0.22 N ATOM 692 CA GLU A 47 -7.386 8.736 5.145 1.00 0.27 C ATOM 693 C GLU A 47 -7.282 7.295 4.656 1.00 0.29 C ATOM 694 O GLU A 47 -7.175 7.040 3.475 1.00 0.32 O ATOM 695 CB GLU A 47 -6.005 9.212 5.583 1.00 0.32 C ATOM 696 CG GLU A 47 -6.032 10.718 5.849 1.00 0.32 C ATOM 697 CD GLU A 47 -4.641 11.185 6.281 1.00 0.59 C ATOM 698 OE1 GLU A 47 -3.804 10.334 6.533 1.00 0.97 O ATOM 699 OE2 GLU A 47 -4.435 12.385 6.350 1.00 0.46 O ATOM 0 H GLU A 47 -7.927 8.998 7.197 1.00 0.22 H new ATOM 0 HA GLU A 47 -7.747 9.391 4.352 1.00 0.27 H new ATOM 0 HB2 GLU A 47 -5.697 8.681 6.483 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -5.270 8.984 4.811 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -6.343 11.251 4.951 1.00 0.32 H new ATOM 0 HG3 GLU A 47 -6.762 10.948 6.625 1.00 0.32 H new ATOM 706 N LEU A 48 -7.327 6.341 5.554 1.00 0.30 N ATOM 707 CA LEU A 48 -7.244 4.917 5.130 1.00 0.33 C ATOM 708 C LEU A 48 -8.497 4.557 4.338 1.00 0.29 C ATOM 709 O LEU A 48 -8.421 3.929 3.308 1.00 0.31 O ATOM 710 CB LEU A 48 -7.144 3.993 6.353 1.00 0.36 C ATOM 711 CG LEU A 48 -5.752 4.086 7.000 1.00 0.35 C ATOM 712 CD1 LEU A 48 -5.770 3.320 8.330 1.00 0.49 C ATOM 713 CD2 LEU A 48 -4.679 3.477 6.072 1.00 0.65 C ATOM 0 H LEU A 48 -7.417 6.491 6.559 1.00 0.30 H new ATOM 0 HA LEU A 48 -6.354 4.786 4.514 1.00 0.33 H new ATOM 0 HB2 LEU A 48 -7.907 4.265 7.082 1.00 0.36 H new ATOM 0 HB3 LEU A 48 -7.342 2.964 6.053 1.00 0.36 H new ATOM 0 HG LEU A 48 -5.508 5.135 7.171 1.00 0.35 H new ATOM 0 HD11 LEU A 48 -4.787 3.380 8.797 1.00 0.49 H new ATOM 0 HD12 LEU A 48 -6.515 3.760 8.993 1.00 0.49 H new ATOM 0 HD13 LEU A 48 -6.021 2.276 8.145 1.00 0.49 H new ATOM 0 HD21 LEU A 48 -3.701 3.552 6.548 1.00 0.65 H new ATOM 0 HD22 LEU A 48 -4.912 2.429 5.885 1.00 0.65 H new ATOM 0 HD23 LEU A 48 -4.665 4.019 5.127 1.00 0.65 H new ATOM 725 N GLN A 49 -9.654 4.936 4.805 1.00 0.24 N ATOM 726 CA GLN A 49 -10.890 4.572 4.063 1.00 0.18 C ATOM 727 C GLN A 49 -10.869 5.187 2.663 1.00 0.18 C ATOM 728 O GLN A 49 -11.273 4.569 1.698 1.00 0.16 O ATOM 729 CB GLN A 49 -12.130 5.056 4.833 1.00 0.15 C ATOM 730 CG GLN A 49 -12.403 4.131 6.027 1.00 0.17 C ATOM 731 CD GLN A 49 -12.911 2.778 5.523 1.00 1.05 C ATOM 732 OE1 GLN A 49 -13.691 2.717 4.594 1.00 1.40 O ATOM 733 NE2 GLN A 49 -12.500 1.684 6.103 1.00 2.25 N ATOM 0 H GLN A 49 -9.796 5.476 5.659 1.00 0.24 H new ATOM 0 HA GLN A 49 -10.934 3.487 3.968 1.00 0.18 H new ATOM 0 HB2 GLN A 49 -11.976 6.077 5.182 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -12.995 5.073 4.171 1.00 0.15 H new ATOM 0 HG2 GLN A 49 -11.492 3.995 6.610 1.00 0.17 H new ATOM 0 HG3 GLN A 49 -13.141 4.584 6.690 1.00 0.17 H new ATOM 0 HE21 GLN A 49 -11.845 1.736 6.883 1.00 2.25 H new ATOM 0 HE22 GLN A 49 -12.834 0.777 5.776 1.00 2.25 H new ATOM 742 N ASP A 50 -10.407 6.402 2.539 1.00 0.21 N ATOM 743 CA ASP A 50 -10.375 7.043 1.199 1.00 0.23 C ATOM 744 C ASP A 50 -9.396 6.265 0.322 1.00 0.26 C ATOM 745 O ASP A 50 -9.656 6.002 -0.836 1.00 0.27 O ATOM 746 CB ASP A 50 -9.922 8.500 1.321 1.00 0.25 C ATOM 747 CG ASP A 50 -11.018 9.319 2.004 1.00 0.95 C ATOM 748 OD1 ASP A 50 -12.159 8.886 1.976 1.00 1.54 O ATOM 749 OD2 ASP A 50 -10.699 10.365 2.544 1.00 1.73 O ATOM 0 H ASP A 50 -10.052 6.974 3.306 1.00 0.21 H new ATOM 0 HA ASP A 50 -11.371 7.031 0.756 1.00 0.23 H new ATOM 0 HB2 ASP A 50 -8.998 8.558 1.896 1.00 0.25 H new ATOM 0 HB3 ASP A 50 -9.709 8.910 0.334 1.00 0.25 H new ATOM 754 N MET A 51 -8.279 5.877 0.869 1.00 0.31 N ATOM 755 CA MET A 51 -7.299 5.097 0.071 1.00 0.34 C ATOM 756 C MET A 51 -7.958 3.785 -0.344 1.00 0.30 C ATOM 757 O MET A 51 -7.762 3.298 -1.440 1.00 0.33 O ATOM 758 CB MET A 51 -6.064 4.809 0.925 1.00 0.40 C ATOM 759 CG MET A 51 -5.336 6.121 1.232 1.00 0.42 C ATOM 760 SD MET A 51 -4.312 6.592 -0.186 1.00 0.53 S ATOM 761 CE MET A 51 -2.873 5.567 0.211 1.00 0.48 C ATOM 0 H MET A 51 -8.004 6.067 1.833 1.00 0.31 H new ATOM 0 HA MET A 51 -6.994 5.658 -0.813 1.00 0.34 H new ATOM 0 HB2 MET A 51 -6.357 4.318 1.853 1.00 0.40 H new ATOM 0 HB3 MET A 51 -5.397 4.125 0.400 1.00 0.40 H new ATOM 0 HG2 MET A 51 -6.059 6.908 1.449 1.00 0.42 H new ATOM 0 HG3 MET A 51 -4.715 6.005 2.120 1.00 0.42 H new ATOM 0 HE1 MET A 51 -2.092 5.734 -0.531 1.00 0.48 H new ATOM 0 HE2 MET A 51 -2.498 5.833 1.199 1.00 0.48 H new ATOM 0 HE3 MET A 51 -3.162 4.516 0.204 1.00 0.48 H new ATOM 771 N ILE A 52 -8.724 3.193 0.537 1.00 0.24 N ATOM 772 CA ILE A 52 -9.377 1.898 0.207 1.00 0.20 C ATOM 773 C ILE A 52 -10.419 2.090 -0.896 1.00 0.14 C ATOM 774 O ILE A 52 -10.513 1.304 -1.818 1.00 0.14 O ATOM 775 CB ILE A 52 -10.048 1.312 1.457 1.00 0.20 C ATOM 776 CG1 ILE A 52 -8.976 0.939 2.488 1.00 0.28 C ATOM 777 CG2 ILE A 52 -10.844 0.059 1.075 1.00 0.19 C ATOM 778 CD1 ILE A 52 -9.624 0.553 3.823 1.00 0.34 C ATOM 0 H ILE A 52 -8.923 3.554 1.470 1.00 0.24 H new ATOM 0 HA ILE A 52 -8.613 1.207 -0.147 1.00 0.20 H new ATOM 0 HB ILE A 52 -10.722 2.054 1.885 1.00 0.20 H new ATOM 0 HG12 ILE A 52 -8.377 0.108 2.114 1.00 0.28 H new ATOM 0 HG13 ILE A 52 -8.298 1.779 2.636 1.00 0.28 H new ATOM 0 HG21 ILE A 52 -11.319 -0.355 1.964 1.00 0.19 H new ATOM 0 HG22 ILE A 52 -11.609 0.322 0.344 1.00 0.19 H new ATOM 0 HG23 ILE A 52 -10.171 -0.683 0.645 1.00 0.19 H new ATOM 0 HD11 ILE A 52 -8.848 0.291 4.542 1.00 0.34 H new ATOM 0 HD12 ILE A 52 -10.202 1.395 4.204 1.00 0.34 H new ATOM 0 HD13 ILE A 52 -10.283 -0.302 3.674 1.00 0.34 H new ATOM 790 N ASN A 53 -11.208 3.112 -0.802 1.00 0.12 N ATOM 791 CA ASN A 53 -12.257 3.345 -1.833 1.00 0.18 C ATOM 792 C ASN A 53 -11.625 3.672 -3.187 1.00 0.24 C ATOM 793 O ASN A 53 -12.231 3.466 -4.220 1.00 0.28 O ATOM 794 CB ASN A 53 -13.122 4.537 -1.377 1.00 0.27 C ATOM 795 CG ASN A 53 -14.491 4.497 -2.071 1.00 0.69 C ATOM 796 OD1 ASN A 53 -14.908 3.468 -2.565 1.00 1.12 O ATOM 797 ND2 ASN A 53 -15.213 5.584 -2.125 1.00 1.92 N ATOM 0 H ASN A 53 -11.176 3.804 -0.053 1.00 0.12 H new ATOM 0 HA ASN A 53 -12.861 2.444 -1.945 1.00 0.18 H new ATOM 0 HB2 ASN A 53 -13.254 4.507 -0.295 1.00 0.27 H new ATOM 0 HB3 ASN A 53 -12.615 5.473 -1.611 1.00 0.27 H new ATOM 0 HD21 ASN A 53 -16.125 5.568 -2.581 1.00 1.92 H new ATOM 0 HD22 ASN A 53 -14.865 6.449 -1.711 1.00 1.92 H new ATOM 804 N GLU A 54 -10.432 4.205 -3.207 1.00 0.26 N ATOM 805 CA GLU A 54 -9.808 4.566 -4.512 1.00 0.34 C ATOM 806 C GLU A 54 -9.248 3.313 -5.196 1.00 0.36 C ATOM 807 O GLU A 54 -9.581 3.009 -6.325 1.00 0.37 O ATOM 808 CB GLU A 54 -8.671 5.574 -4.273 1.00 0.39 C ATOM 809 CG GLU A 54 -9.245 6.991 -4.138 1.00 0.62 C ATOM 810 CD GLU A 54 -9.750 7.471 -5.500 1.00 0.57 C ATOM 811 OE1 GLU A 54 -9.320 6.918 -6.499 1.00 1.81 O ATOM 812 OE2 GLU A 54 -10.556 8.386 -5.521 1.00 0.90 O ATOM 0 H GLU A 54 -9.867 4.405 -2.382 1.00 0.26 H new ATOM 0 HA GLU A 54 -10.565 5.012 -5.157 1.00 0.34 H new ATOM 0 HB2 GLU A 54 -8.122 5.308 -3.370 1.00 0.39 H new ATOM 0 HB3 GLU A 54 -7.962 5.537 -5.100 1.00 0.39 H new ATOM 0 HG2 GLU A 54 -10.060 6.997 -3.414 1.00 0.62 H new ATOM 0 HG3 GLU A 54 -8.480 7.670 -3.762 1.00 0.62 H new ATOM 819 N VAL A 55 -8.367 2.612 -4.544 1.00 0.37 N ATOM 820 CA VAL A 55 -7.741 1.412 -5.167 1.00 0.40 C ATOM 821 C VAL A 55 -8.765 0.337 -5.480 1.00 0.32 C ATOM 822 O VAL A 55 -8.531 -0.508 -6.322 1.00 0.32 O ATOM 823 CB VAL A 55 -6.691 0.848 -4.220 1.00 0.40 C ATOM 824 CG1 VAL A 55 -5.996 -0.338 -4.883 1.00 0.45 C ATOM 825 CG2 VAL A 55 -5.664 1.933 -3.898 1.00 0.54 C ATOM 0 H VAL A 55 -8.050 2.820 -3.597 1.00 0.37 H new ATOM 0 HA VAL A 55 -7.284 1.720 -6.107 1.00 0.40 H new ATOM 0 HB VAL A 55 -7.168 0.517 -3.298 1.00 0.40 H new ATOM 0 HG11 VAL A 55 -5.244 -0.743 -4.207 1.00 0.45 H new ATOM 0 HG12 VAL A 55 -6.731 -1.109 -5.112 1.00 0.45 H new ATOM 0 HG13 VAL A 55 -5.516 -0.010 -5.805 1.00 0.45 H new ATOM 0 HG21 VAL A 55 -4.911 1.531 -3.220 1.00 0.54 H new ATOM 0 HG22 VAL A 55 -5.184 2.264 -4.819 1.00 0.54 H new ATOM 0 HG23 VAL A 55 -6.164 2.778 -3.425 1.00 0.54 H new ATOM 835 N ASP A 56 -9.884 0.345 -4.826 1.00 0.25 N ATOM 836 CA ASP A 56 -10.928 -0.701 -5.093 1.00 0.22 C ATOM 837 C ASP A 56 -12.137 -0.054 -5.756 1.00 0.36 C ATOM 838 O ASP A 56 -13.267 -0.230 -5.347 1.00 0.45 O ATOM 839 CB ASP A 56 -11.338 -1.363 -3.779 1.00 0.16 C ATOM 840 CG ASP A 56 -12.456 -2.357 -4.057 1.00 0.25 C ATOM 841 OD1 ASP A 56 -12.755 -2.552 -5.220 1.00 0.95 O ATOM 842 OD2 ASP A 56 -12.992 -2.905 -3.108 1.00 0.96 O ATOM 0 H ASP A 56 -10.133 1.030 -4.112 1.00 0.25 H new ATOM 0 HA ASP A 56 -10.522 -1.462 -5.760 1.00 0.22 H new ATOM 0 HB2 ASP A 56 -10.484 -1.871 -3.330 1.00 0.16 H new ATOM 0 HB3 ASP A 56 -11.672 -0.610 -3.065 1.00 0.16 H new ATOM 847 N ALA A 57 -11.886 0.717 -6.766 1.00 0.43 N ATOM 848 CA ALA A 57 -12.979 1.422 -7.476 1.00 0.56 C ATOM 849 C ALA A 57 -14.032 0.462 -8.028 1.00 0.50 C ATOM 850 O ALA A 57 -15.216 0.737 -8.031 1.00 0.63 O ATOM 851 CB ALA A 57 -12.380 2.214 -8.640 1.00 0.67 C ATOM 0 H ALA A 57 -10.952 0.893 -7.137 1.00 0.43 H new ATOM 0 HA ALA A 57 -13.471 2.077 -6.757 1.00 0.56 H new ATOM 0 HB1 ALA A 57 -13.175 2.738 -9.171 1.00 0.67 H new ATOM 0 HB2 ALA A 57 -11.662 2.938 -8.256 1.00 0.67 H new ATOM 0 HB3 ALA A 57 -11.876 1.531 -9.324 1.00 0.67 H new ATOM 857 N ASP A 58 -13.582 -0.668 -8.507 1.00 0.31 N ATOM 858 CA ASP A 58 -14.522 -1.671 -9.081 1.00 0.25 C ATOM 859 C ASP A 58 -15.203 -2.461 -7.956 1.00 0.34 C ATOM 860 O ASP A 58 -16.280 -3.001 -8.113 1.00 0.43 O ATOM 861 CB ASP A 58 -13.753 -2.630 -9.992 1.00 0.13 C ATOM 862 CG ASP A 58 -14.741 -3.499 -10.772 1.00 0.28 C ATOM 863 OD1 ASP A 58 -15.891 -3.105 -10.877 1.00 1.04 O ATOM 864 OD2 ASP A 58 -14.332 -4.544 -11.251 1.00 1.11 O ATOM 0 H ASP A 58 -12.599 -0.939 -8.525 1.00 0.31 H new ATOM 0 HA ASP A 58 -15.286 -1.152 -9.660 1.00 0.25 H new ATOM 0 HB2 ASP A 58 -13.125 -2.067 -10.682 1.00 0.13 H new ATOM 0 HB3 ASP A 58 -13.090 -3.259 -9.398 1.00 0.13 H new ATOM 869 N GLY A 59 -14.600 -2.438 -6.789 1.00 0.39 N ATOM 870 CA GLY A 59 -15.243 -3.095 -5.595 1.00 0.59 C ATOM 871 C GLY A 59 -14.668 -4.481 -5.231 1.00 0.63 C ATOM 872 O GLY A 59 -15.403 -5.294 -4.706 1.00 0.80 O ATOM 0 H GLY A 59 -13.698 -1.998 -6.609 1.00 0.39 H new ATOM 0 HA2 GLY A 59 -15.136 -2.435 -4.734 1.00 0.59 H new ATOM 0 HA3 GLY A 59 -16.311 -3.199 -5.787 1.00 0.59 H new ATOM 876 N ASN A 60 -13.415 -4.808 -5.507 1.00 0.57 N ATOM 877 CA ASN A 60 -12.926 -6.201 -5.163 1.00 0.74 C ATOM 878 C ASN A 60 -12.130 -6.226 -3.843 1.00 0.74 C ATOM 879 O ASN A 60 -11.638 -7.260 -3.441 1.00 1.36 O ATOM 880 CB ASN A 60 -12.064 -6.747 -6.305 1.00 0.76 C ATOM 881 CG ASN A 60 -11.145 -5.639 -6.822 1.00 2.30 C ATOM 882 OD1 ASN A 60 -11.121 -4.552 -6.280 1.00 3.32 O ATOM 883 ND2 ASN A 60 -10.381 -5.870 -7.854 1.00 3.48 N ATOM 0 H ASN A 60 -12.727 -4.193 -5.942 1.00 0.57 H new ATOM 0 HA ASN A 60 -13.803 -6.834 -5.028 1.00 0.74 H new ATOM 0 HB2 ASN A 60 -11.472 -7.593 -5.956 1.00 0.76 H new ATOM 0 HB3 ASN A 60 -12.699 -7.114 -7.111 1.00 0.76 H new ATOM 0 HD21 ASN A 60 -9.764 -5.138 -8.206 1.00 3.48 H new ATOM 0 HD22 ASN A 60 -10.401 -6.783 -8.309 1.00 3.48 H new ATOM 890 N GLY A 61 -12.043 -5.133 -3.137 1.00 0.12 N ATOM 891 CA GLY A 61 -11.332 -5.126 -1.815 1.00 0.13 C ATOM 892 C GLY A 61 -9.942 -5.791 -1.857 1.00 0.17 C ATOM 893 O GLY A 61 -9.545 -6.427 -0.900 1.00 0.28 O ATOM 0 H GLY A 61 -12.435 -4.234 -3.417 1.00 0.12 H new ATOM 0 HA2 GLY A 61 -11.222 -4.096 -1.477 1.00 0.13 H new ATOM 0 HA3 GLY A 61 -11.949 -5.640 -1.078 1.00 0.13 H new ATOM 897 N THR A 62 -9.180 -5.648 -2.917 1.00 0.13 N ATOM 898 CA THR A 62 -7.807 -6.272 -2.945 1.00 0.15 C ATOM 899 C THR A 62 -6.811 -5.311 -3.615 1.00 0.13 C ATOM 900 O THR A 62 -7.166 -4.541 -4.485 1.00 0.13 O ATOM 901 CB THR A 62 -7.833 -7.596 -3.713 1.00 0.21 C ATOM 902 OG1 THR A 62 -8.387 -7.392 -5.005 1.00 0.26 O ATOM 903 CG2 THR A 62 -8.668 -8.626 -2.949 1.00 0.42 C ATOM 0 H THR A 62 -9.441 -5.133 -3.758 1.00 0.13 H new ATOM 0 HA THR A 62 -7.495 -6.466 -1.919 1.00 0.15 H new ATOM 0 HB THR A 62 -6.814 -7.968 -3.814 1.00 0.21 H new ATOM 0 HG1 THR A 62 -8.400 -8.242 -5.493 1.00 0.26 H new ATOM 0 HG21 THR A 62 -8.682 -9.565 -3.502 1.00 0.42 H new ATOM 0 HG22 THR A 62 -8.231 -8.791 -1.964 1.00 0.42 H new ATOM 0 HG23 THR A 62 -9.687 -8.257 -2.836 1.00 0.42 H new ATOM 911 N ILE A 63 -5.561 -5.345 -3.195 1.00 0.11 N ATOM 912 CA ILE A 63 -4.518 -4.430 -3.778 1.00 0.10 C ATOM 913 C ILE A 63 -3.333 -5.253 -4.282 1.00 0.10 C ATOM 914 O ILE A 63 -2.802 -6.091 -3.580 1.00 0.10 O ATOM 915 CB ILE A 63 -4.004 -3.479 -2.689 1.00 0.10 C ATOM 916 CG1 ILE A 63 -5.187 -2.783 -2.005 1.00 0.10 C ATOM 917 CG2 ILE A 63 -3.051 -2.433 -3.294 1.00 0.11 C ATOM 918 CD1 ILE A 63 -4.693 -2.028 -0.768 1.00 0.12 C ATOM 0 H ILE A 63 -5.218 -5.973 -2.468 1.00 0.11 H new ATOM 0 HA ILE A 63 -4.964 -3.867 -4.598 1.00 0.10 H new ATOM 0 HB ILE A 63 -3.454 -4.059 -1.948 1.00 0.10 H new ATOM 0 HG12 ILE A 63 -5.666 -2.092 -2.698 1.00 0.10 H new ATOM 0 HG13 ILE A 63 -5.939 -3.519 -1.719 1.00 0.10 H new ATOM 0 HG21 ILE A 63 -2.696 -1.767 -2.508 1.00 0.11 H new ATOM 0 HG22 ILE A 63 -2.201 -2.938 -3.753 1.00 0.11 H new ATOM 0 HG23 ILE A 63 -3.580 -1.853 -4.050 1.00 0.11 H new ATOM 0 HD11 ILE A 63 -5.535 -1.534 -0.283 1.00 0.12 H new ATOM 0 HD12 ILE A 63 -4.235 -2.730 -0.072 1.00 0.12 H new ATOM 0 HD13 ILE A 63 -3.957 -1.281 -1.067 1.00 0.12 H new ATOM 930 N ASP A 64 -2.893 -4.988 -5.489 1.00 0.09 N ATOM 931 CA ASP A 64 -1.712 -5.715 -6.051 1.00 0.09 C ATOM 932 C ASP A 64 -0.482 -4.807 -5.897 1.00 0.09 C ATOM 933 O ASP A 64 -0.601 -3.643 -5.570 1.00 0.11 O ATOM 934 CB ASP A 64 -1.958 -6.059 -7.527 1.00 0.11 C ATOM 935 CG ASP A 64 -2.164 -4.774 -8.331 1.00 0.16 C ATOM 936 OD1 ASP A 64 -1.920 -3.711 -7.787 1.00 0.11 O ATOM 937 OD2 ASP A 64 -2.563 -4.877 -9.480 1.00 0.37 O ATOM 0 H ASP A 64 -3.305 -4.294 -6.113 1.00 0.09 H new ATOM 0 HA ASP A 64 -1.548 -6.651 -5.518 1.00 0.09 H new ATOM 0 HB2 ASP A 64 -1.111 -6.617 -7.926 1.00 0.11 H new ATOM 0 HB3 ASP A 64 -2.834 -6.701 -7.619 1.00 0.11 H new ATOM 942 N PHE A 65 0.698 -5.340 -6.075 1.00 0.07 N ATOM 943 CA PHE A 65 1.934 -4.520 -5.877 1.00 0.07 C ATOM 944 C PHE A 65 1.967 -3.228 -6.736 1.00 0.10 C ATOM 945 O PHE A 65 2.237 -2.171 -6.202 1.00 0.12 O ATOM 946 CB PHE A 65 3.189 -5.380 -6.125 1.00 0.06 C ATOM 947 CG PHE A 65 4.441 -4.638 -5.683 1.00 0.05 C ATOM 948 CD1 PHE A 65 4.588 -4.206 -4.350 1.00 1.89 C ATOM 949 CD2 PHE A 65 5.463 -4.384 -6.610 1.00 1.80 C ATOM 950 CE1 PHE A 65 5.748 -3.528 -3.959 1.00 1.87 C ATOM 951 CE2 PHE A 65 6.621 -3.709 -6.213 1.00 1.81 C ATOM 952 CZ PHE A 65 6.765 -3.281 -4.888 1.00 0.04 C ATOM 0 H PHE A 65 0.861 -6.309 -6.349 1.00 0.07 H new ATOM 0 HA PHE A 65 1.922 -4.185 -4.840 1.00 0.07 H new ATOM 0 HB2 PHE A 65 3.106 -6.321 -5.580 1.00 0.06 H new ATOM 0 HB3 PHE A 65 3.262 -5.630 -7.183 1.00 0.06 H new ATOM 0 HD1 PHE A 65 3.806 -4.398 -3.630 1.00 1.89 H new ATOM 0 HD2 PHE A 65 5.355 -4.711 -7.634 1.00 1.80 H new ATOM 0 HE1 PHE A 65 5.859 -3.195 -2.938 1.00 1.87 H new ATOM 0 HE2 PHE A 65 7.406 -3.517 -6.930 1.00 1.81 H new ATOM 0 HZ PHE A 65 7.661 -2.760 -4.583 1.00 0.04 H new ATOM 962 N PRO A 66 1.723 -3.265 -8.034 1.00 0.13 N ATOM 963 CA PRO A 66 1.772 -2.014 -8.868 1.00 0.16 C ATOM 964 C PRO A 66 0.761 -0.959 -8.393 1.00 0.17 C ATOM 965 O PRO A 66 1.070 0.215 -8.338 1.00 0.22 O ATOM 966 CB PRO A 66 1.450 -2.501 -10.296 1.00 0.18 C ATOM 967 CG PRO A 66 0.775 -3.825 -10.116 1.00 0.16 C ATOM 968 CD PRO A 66 1.377 -4.443 -8.855 1.00 0.14 C ATOM 0 HA PRO A 66 2.740 -1.518 -8.801 1.00 0.16 H new ATOM 0 HB2 PRO A 66 0.801 -1.796 -10.816 1.00 0.18 H new ATOM 0 HB3 PRO A 66 2.357 -2.599 -10.893 1.00 0.18 H new ATOM 0 HG2 PRO A 66 -0.303 -3.701 -10.012 1.00 0.16 H new ATOM 0 HG3 PRO A 66 0.940 -4.467 -10.981 1.00 0.16 H new ATOM 0 HD2 PRO A 66 0.666 -5.093 -8.346 1.00 0.14 H new ATOM 0 HD3 PRO A 66 2.255 -5.047 -9.082 1.00 0.14 H new ATOM 976 N GLU A 67 -0.429 -1.354 -8.010 1.00 0.15 N ATOM 977 CA GLU A 67 -1.394 -0.335 -7.507 1.00 0.16 C ATOM 978 C GLU A 67 -0.823 0.224 -6.201 1.00 0.15 C ATOM 979 O GLU A 67 -0.940 1.399 -5.918 1.00 0.17 O ATOM 980 CB GLU A 67 -2.778 -0.950 -7.267 1.00 0.18 C ATOM 981 CG GLU A 67 -3.400 -1.352 -8.606 1.00 0.26 C ATOM 982 CD GLU A 67 -4.667 -2.174 -8.356 1.00 0.34 C ATOM 983 OE1 GLU A 67 -4.806 -2.693 -7.260 1.00 0.17 O ATOM 984 OE2 GLU A 67 -5.475 -2.271 -9.265 1.00 0.60 O ATOM 0 H GLU A 67 -0.766 -2.317 -8.024 1.00 0.15 H new ATOM 0 HA GLU A 67 -1.523 0.456 -8.246 1.00 0.16 H new ATOM 0 HB2 GLU A 67 -2.692 -1.822 -6.618 1.00 0.18 H new ATOM 0 HB3 GLU A 67 -3.422 -0.234 -6.756 1.00 0.18 H new ATOM 0 HG2 GLU A 67 -3.640 -0.463 -9.189 1.00 0.26 H new ATOM 0 HG3 GLU A 67 -2.687 -1.933 -9.190 1.00 0.26 H new ATOM 991 N PHE A 68 -0.188 -0.599 -5.411 1.00 0.12 N ATOM 992 CA PHE A 68 0.406 -0.099 -4.141 1.00 0.13 C ATOM 993 C PHE A 68 1.544 0.875 -4.458 1.00 0.13 C ATOM 994 O PHE A 68 1.729 1.877 -3.795 1.00 0.16 O ATOM 995 CB PHE A 68 0.929 -1.288 -3.316 1.00 0.11 C ATOM 996 CG PHE A 68 1.540 -0.790 -2.035 1.00 0.10 C ATOM 997 CD1 PHE A 68 0.742 -0.640 -0.898 1.00 0.09 C ATOM 998 CD2 PHE A 68 2.905 -0.478 -1.984 1.00 0.11 C ATOM 999 CE1 PHE A 68 1.309 -0.172 0.296 1.00 0.09 C ATOM 1000 CE2 PHE A 68 3.471 -0.013 -0.793 1.00 0.11 C ATOM 1001 CZ PHE A 68 2.672 0.140 0.347 1.00 0.10 C ATOM 0 H PHE A 68 -0.056 -1.594 -5.591 1.00 0.12 H new ATOM 0 HA PHE A 68 -0.353 0.425 -3.560 1.00 0.13 H new ATOM 0 HB2 PHE A 68 0.113 -1.977 -3.097 1.00 0.11 H new ATOM 0 HB3 PHE A 68 1.670 -1.844 -3.891 1.00 0.11 H new ATOM 0 HD1 PHE A 68 -0.309 -0.884 -0.939 1.00 0.09 H new ATOM 0 HD2 PHE A 68 3.520 -0.597 -2.864 1.00 0.11 H new ATOM 0 HE1 PHE A 68 0.694 -0.052 1.176 1.00 0.09 H new ATOM 0 HE2 PHE A 68 4.523 0.228 -0.752 1.00 0.11 H new ATOM 0 HZ PHE A 68 3.109 0.499 1.267 1.00 0.10 H new ATOM 1011 N LEU A 69 2.316 0.572 -5.479 1.00 0.11 N ATOM 1012 CA LEU A 69 3.450 1.462 -5.844 1.00 0.12 C ATOM 1013 C LEU A 69 2.915 2.819 -6.332 1.00 0.15 C ATOM 1014 O LEU A 69 3.478 3.856 -6.041 1.00 0.17 O ATOM 1015 CB LEU A 69 4.322 0.818 -6.942 1.00 0.07 C ATOM 1016 CG LEU A 69 5.289 -0.223 -6.349 1.00 0.15 C ATOM 1017 CD1 LEU A 69 6.102 -0.851 -7.494 1.00 0.17 C ATOM 1018 CD2 LEU A 69 6.248 0.432 -5.329 1.00 0.24 C ATOM 0 H LEU A 69 2.204 -0.253 -6.069 1.00 0.11 H new ATOM 0 HA LEU A 69 4.067 1.613 -4.958 1.00 0.12 H new ATOM 0 HB2 LEU A 69 3.682 0.342 -7.685 1.00 0.07 H new ATOM 0 HB3 LEU A 69 4.889 1.592 -7.459 1.00 0.07 H new ATOM 0 HG LEU A 69 4.713 -0.988 -5.829 1.00 0.15 H new ATOM 0 HD11 LEU A 69 6.792 -1.591 -7.087 1.00 0.17 H new ATOM 0 HD12 LEU A 69 5.425 -1.334 -8.198 1.00 0.17 H new ATOM 0 HD13 LEU A 69 6.666 -0.073 -8.009 1.00 0.17 H new ATOM 0 HD21 LEU A 69 6.921 -0.324 -4.925 1.00 0.24 H new ATOM 0 HD22 LEU A 69 6.831 1.209 -5.824 1.00 0.24 H new ATOM 0 HD23 LEU A 69 5.670 0.874 -4.518 1.00 0.24 H new ATOM 1030 N THR A 70 1.839 2.820 -7.083 1.00 0.18 N ATOM 1031 CA THR A 70 1.290 4.110 -7.591 1.00 0.23 C ATOM 1032 C THR A 70 0.756 4.931 -6.411 1.00 0.26 C ATOM 1033 O THR A 70 0.907 6.135 -6.374 1.00 0.26 O ATOM 1034 CB THR A 70 0.169 3.844 -8.609 1.00 0.22 C ATOM 1035 OG1 THR A 70 0.722 3.237 -9.768 1.00 0.23 O ATOM 1036 CG2 THR A 70 -0.492 5.168 -8.992 1.00 0.22 C ATOM 0 H THR A 70 1.322 1.986 -7.363 1.00 0.18 H new ATOM 0 HA THR A 70 2.080 4.670 -8.090 1.00 0.23 H new ATOM 0 HB THR A 70 -0.576 3.180 -8.170 1.00 0.22 H new ATOM 0 HG1 THR A 70 0.010 3.064 -10.418 1.00 0.23 H new ATOM 0 HG21 THR A 70 -1.287 4.982 -9.714 1.00 0.22 H new ATOM 0 HG22 THR A 70 -0.912 5.636 -8.102 1.00 0.22 H new ATOM 0 HG23 THR A 70 0.251 5.831 -9.434 1.00 0.22 H new ATOM 1044 N MET A 71 0.151 4.300 -5.433 1.00 0.37 N ATOM 1045 CA MET A 71 -0.358 5.078 -4.259 1.00 0.42 C ATOM 1046 C MET A 71 0.854 5.651 -3.516 1.00 0.36 C ATOM 1047 O MET A 71 0.834 6.771 -3.045 1.00 0.30 O ATOM 1048 CB MET A 71 -1.182 4.194 -3.297 1.00 0.58 C ATOM 1049 CG MET A 71 -2.610 3.959 -3.837 1.00 0.43 C ATOM 1050 SD MET A 71 -3.742 3.728 -2.442 1.00 0.51 S ATOM 1051 CE MET A 71 -2.953 2.258 -1.736 1.00 0.41 C ATOM 0 H MET A 71 -0.011 3.294 -5.396 1.00 0.37 H new ATOM 0 HA MET A 71 -1.017 5.870 -4.616 1.00 0.42 H new ATOM 0 HB2 MET A 71 -0.680 3.236 -3.160 1.00 0.58 H new ATOM 0 HB3 MET A 71 -1.235 4.669 -2.318 1.00 0.58 H new ATOM 0 HG2 MET A 71 -2.928 4.808 -4.442 1.00 0.43 H new ATOM 0 HG3 MET A 71 -2.627 3.082 -4.484 1.00 0.43 H new ATOM 0 HE1 MET A 71 -3.719 1.568 -1.382 1.00 0.41 H new ATOM 0 HE2 MET A 71 -2.348 1.768 -2.499 1.00 0.41 H new ATOM 0 HE3 MET A 71 -2.316 2.552 -0.902 1.00 0.41 H new ATOM 1061 N MET A 72 1.912 4.888 -3.413 1.00 0.39 N ATOM 1062 CA MET A 72 3.130 5.380 -2.705 1.00 0.37 C ATOM 1063 C MET A 72 3.709 6.591 -3.440 1.00 0.30 C ATOM 1064 O MET A 72 4.060 7.593 -2.849 1.00 0.29 O ATOM 1065 CB MET A 72 4.175 4.266 -2.661 1.00 0.44 C ATOM 1066 CG MET A 72 3.720 3.179 -1.687 1.00 0.52 C ATOM 1067 SD MET A 72 3.837 3.799 0.009 1.00 2.02 S ATOM 1068 CE MET A 72 5.573 3.369 0.288 1.00 0.71 C ATOM 0 H MET A 72 1.984 3.943 -3.790 1.00 0.39 H new ATOM 0 HA MET A 72 2.860 5.673 -1.690 1.00 0.37 H new ATOM 0 HB2 MET A 72 4.313 3.843 -3.656 1.00 0.44 H new ATOM 0 HB3 MET A 72 5.139 4.669 -2.349 1.00 0.44 H new ATOM 0 HG2 MET A 72 2.694 2.885 -1.908 1.00 0.52 H new ATOM 0 HG3 MET A 72 4.339 2.289 -1.804 1.00 0.52 H new ATOM 0 HE1 MET A 72 5.826 3.536 1.335 1.00 0.71 H new ATOM 0 HE2 MET A 72 5.732 2.320 0.039 1.00 0.71 H new ATOM 0 HE3 MET A 72 6.208 3.992 -0.342 1.00 0.71 H new ATOM 1078 N ALA A 73 3.824 6.478 -4.736 1.00 0.27 N ATOM 1079 CA ALA A 73 4.398 7.588 -5.548 1.00 0.24 C ATOM 1080 C ALA A 73 3.539 8.854 -5.412 1.00 0.26 C ATOM 1081 O ALA A 73 4.049 9.955 -5.363 1.00 0.24 O ATOM 1082 CB ALA A 73 4.477 7.158 -7.021 1.00 0.24 C ATOM 0 H ALA A 73 3.542 5.657 -5.271 1.00 0.27 H new ATOM 0 HA ALA A 73 5.400 7.813 -5.183 1.00 0.24 H new ATOM 0 HB1 ALA A 73 4.897 7.970 -7.615 1.00 0.24 H new ATOM 0 HB2 ALA A 73 5.113 6.277 -7.109 1.00 0.24 H new ATOM 0 HB3 ALA A 73 3.477 6.921 -7.385 1.00 0.24 H new ATOM 1088 N ARG A 74 2.241 8.706 -5.353 1.00 0.33 N ATOM 1089 CA ARG A 74 1.355 9.901 -5.223 1.00 0.37 C ATOM 1090 C ARG A 74 1.536 10.520 -3.828 1.00 0.34 C ATOM 1091 O ARG A 74 1.463 11.719 -3.647 1.00 0.32 O ATOM 1092 CB ARG A 74 -0.113 9.480 -5.430 1.00 0.47 C ATOM 1093 CG ARG A 74 -0.477 9.513 -6.929 1.00 0.18 C ATOM 1094 CD ARG A 74 -0.918 10.925 -7.332 1.00 0.14 C ATOM 1095 NE ARG A 74 -2.100 11.326 -6.518 1.00 1.36 N ATOM 1096 CZ ARG A 74 -2.464 12.578 -6.470 1.00 1.63 C ATOM 1097 NH1 ARG A 74 -1.797 13.478 -7.140 1.00 2.86 N ATOM 1098 NH2 ARG A 74 -3.495 12.930 -5.752 1.00 1.33 N ATOM 0 H ARG A 74 1.756 7.809 -5.389 1.00 0.33 H new ATOM 0 HA ARG A 74 1.621 10.640 -5.979 1.00 0.37 H new ATOM 0 HB2 ARG A 74 -0.269 8.477 -5.034 1.00 0.47 H new ATOM 0 HB3 ARG A 74 -0.771 10.148 -4.875 1.00 0.47 H new ATOM 0 HG2 ARG A 74 0.382 9.207 -7.527 1.00 0.18 H new ATOM 0 HG3 ARG A 74 -1.277 8.801 -7.133 1.00 0.18 H new ATOM 0 HD2 ARG A 74 -0.101 11.630 -7.179 1.00 0.14 H new ATOM 0 HD3 ARG A 74 -1.167 10.951 -8.393 1.00 0.14 H new ATOM 0 HE ARG A 74 -2.624 10.622 -5.999 1.00 1.36 H new ATOM 0 HH11 ARG A 74 -0.991 13.203 -7.701 1.00 2.86 H new ATOM 0 HH12 ARG A 74 -2.082 14.457 -7.102 1.00 2.86 H new ATOM 0 HH21 ARG A 74 -4.016 12.227 -5.229 1.00 1.33 H new ATOM 0 HH22 ARG A 74 -3.780 13.909 -5.714 1.00 1.33 H new ATOM 1112 N LYS A 75 1.753 9.688 -2.842 1.00 0.35 N ATOM 1113 CA LYS A 75 1.919 10.189 -1.446 1.00 0.35 C ATOM 1114 C LYS A 75 3.297 10.843 -1.273 1.00 0.28 C ATOM 1115 O LYS A 75 3.458 11.752 -0.483 1.00 0.27 O ATOM 1116 CB LYS A 75 1.785 9.012 -0.468 1.00 0.39 C ATOM 1117 CG LYS A 75 0.316 8.804 -0.085 1.00 0.47 C ATOM 1118 CD LYS A 75 0.171 7.502 0.711 1.00 1.35 C ATOM 1119 CE LYS A 75 0.917 7.614 2.046 1.00 1.96 C ATOM 1120 NZ LYS A 75 0.376 6.601 2.998 1.00 2.75 N ATOM 0 H LYS A 75 1.823 8.676 -2.946 1.00 0.35 H new ATOM 0 HA LYS A 75 1.149 10.933 -1.241 1.00 0.35 H new ATOM 0 HB2 LYS A 75 2.181 8.105 -0.924 1.00 0.39 H new ATOM 0 HB3 LYS A 75 2.377 9.204 0.426 1.00 0.39 H new ATOM 0 HG2 LYS A 75 -0.038 9.646 0.509 1.00 0.47 H new ATOM 0 HG3 LYS A 75 -0.302 8.764 -0.982 1.00 0.47 H new ATOM 0 HD2 LYS A 75 -0.883 7.293 0.891 1.00 1.35 H new ATOM 0 HD3 LYS A 75 0.568 6.667 0.133 1.00 1.35 H new ATOM 0 HE2 LYS A 75 1.984 7.454 1.894 1.00 1.96 H new ATOM 0 HE3 LYS A 75 0.801 8.616 2.458 1.00 1.96 H new ATOM 0 HZ1 LYS A 75 0.211 7.047 3.923 1.00 2.75 H new ATOM 0 HZ2 LYS A 75 -0.521 6.223 2.631 1.00 2.75 H new ATOM 0 HZ3 LYS A 75 1.060 5.825 3.105 1.00 2.75 H new ATOM 1134 N MET A 76 4.282 10.415 -1.997 1.00 0.29 N ATOM 1135 CA MET A 76 5.624 11.052 -1.852 1.00 0.29 C ATOM 1136 C MET A 76 5.559 12.485 -2.388 1.00 0.70 C ATOM 1137 O MET A 76 5.750 13.399 -1.602 1.00 1.39 O ATOM 1138 CB MET A 76 6.667 10.256 -2.646 1.00 0.91 C ATOM 1139 CG MET A 76 7.082 9.009 -1.861 1.00 1.10 C ATOM 1140 SD MET A 76 8.451 8.199 -2.722 1.00 1.88 S ATOM 1141 CE MET A 76 9.139 7.324 -1.298 1.00 1.00 C ATOM 0 H MET A 76 4.225 9.659 -2.679 1.00 0.29 H new ATOM 0 HA MET A 76 5.909 11.063 -0.800 1.00 0.29 H new ATOM 0 HB2 MET A 76 6.257 9.967 -3.614 1.00 0.91 H new ATOM 0 HB3 MET A 76 7.539 10.879 -2.843 1.00 0.91 H new ATOM 0 HG2 MET A 76 7.383 9.284 -0.850 1.00 1.10 H new ATOM 0 HG3 MET A 76 6.239 8.325 -1.768 1.00 1.10 H new ATOM 0 HE1 MET A 76 9.943 6.667 -1.629 1.00 1.00 H new ATOM 0 HE2 MET A 76 9.531 8.046 -0.582 1.00 1.00 H new ATOM 0 HE3 MET A 76 8.358 6.730 -0.823 1.00 1.00 H new TER 1151 MET A 76