USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 827 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 2 GLN : amide:sc= -0.639 K(o=-2.8,f=-1) USER MOD Set 1.2: A 10 LYS NZ :NH3+ 179:sc=-0.00418 (180deg=0) USER MOD Set 1.3: A 99 HIS : no HD1:sc= -2.17 K(o=-2.8,f=-0.8) USER MOD Set 2.1: A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 46:sc= 2.13 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.549 K(o=-0.55,f=-1.2) USER MOD Single : A 13 THR OG1 : rot -170:sc= -1.1 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0388 X(o=-0.039,f=0) USER MOD Single : A 24 MET CE :methyl -115:sc= -0.232 (180deg=-3.62!) USER MOD Single : A 26 THR OG1 : rot 98:sc= 0.223 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0138) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -3.2 K(o=-3.2,f=-6.8!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 48:sc= 0.263 USER MOD Single : A 60 SER OG : rot 37:sc= -3.04 USER MOD Single : A 61 ASN : amide:sc= -0.0392 X(o=-0.039,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0443) USER MOD Single : A 79 TYR OH : rot 89:sc= 1.04 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0561) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -34:sc= 0.23 USER MOD Single : A 85 SER OG : rot -50:sc= 0.00441 USER MOD Single : A 86 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.48) USER MOD Single : A 89 CYS SG : rot 180:sc= -0.196 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -5.912 12.085 1.267 1.00 0.00 N ATOM 21 CA GLN A 2 -5.823 10.591 1.226 1.00 0.00 C ATOM 22 C GLN A 2 -6.941 10.039 0.336 1.00 0.00 C ATOM 23 O GLN A 2 -8.093 9.996 0.736 1.00 0.00 O ATOM 24 CB GLN A 2 -5.966 10.029 2.645 1.00 0.00 C ATOM 25 CG GLN A 2 -7.263 10.539 3.280 1.00 0.00 C ATOM 26 CD GLN A 2 -7.083 10.644 4.794 1.00 0.00 C ATOM 27 OE1 GLN A 2 -6.166 11.287 5.265 1.00 0.00 O ATOM 28 NE2 GLN A 2 -7.924 10.034 5.583 1.00 0.00 N ATOM 0 HA GLN A 2 -4.857 10.294 0.819 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -5.970 8.939 2.615 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.112 10.329 3.252 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -7.525 11.513 2.866 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -8.085 9.862 3.047 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -8.694 9.494 5.188 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -7.812 10.097 6.595 1.00 0.00 H new ATOM 37 N ASP A 3 -6.599 9.626 -0.867 1.00 0.00 N ATOM 38 CA ASP A 3 -7.623 9.076 -1.809 1.00 0.00 C ATOM 39 C ASP A 3 -7.038 7.892 -2.578 1.00 0.00 C ATOM 40 O ASP A 3 -5.941 7.440 -2.302 1.00 0.00 O ATOM 41 CB ASP A 3 -8.039 10.167 -2.797 1.00 0.00 C ATOM 42 CG ASP A 3 -8.559 11.383 -2.026 1.00 0.00 C ATOM 43 OD1 ASP A 3 -7.740 12.162 -1.566 1.00 0.00 O ATOM 44 OD2 ASP A 3 -9.766 11.514 -1.907 1.00 0.00 O ATOM 0 H ASP A 3 -5.648 9.648 -1.235 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.492 8.742 -1.242 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -7.190 10.453 -3.418 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.812 9.790 -3.467 1.00 0.00 H new ATOM 49 N TRP A 4 -7.779 7.394 -3.545 1.00 0.00 N ATOM 50 CA TRP A 4 -7.316 6.232 -4.378 1.00 0.00 C ATOM 51 C TRP A 4 -5.899 6.486 -4.904 1.00 0.00 C ATOM 52 O TRP A 4 -4.982 5.740 -4.627 1.00 0.00 O ATOM 53 CB TRP A 4 -8.270 6.062 -5.576 1.00 0.00 C ATOM 54 CG TRP A 4 -8.619 4.617 -5.766 1.00 0.00 C ATOM 55 CD1 TRP A 4 -9.879 4.128 -5.793 1.00 0.00 C ATOM 56 CD2 TRP A 4 -7.733 3.476 -5.971 1.00 0.00 C ATOM 57 NE1 TRP A 4 -9.824 2.759 -5.968 1.00 0.00 N ATOM 58 CE2 TRP A 4 -8.524 2.309 -6.089 1.00 0.00 C ATOM 59 CE3 TRP A 4 -6.336 3.338 -6.057 1.00 0.00 C ATOM 60 CZ2 TRP A 4 -7.949 1.051 -6.281 1.00 0.00 C ATOM 61 CZ3 TRP A 4 -5.755 2.076 -6.254 1.00 0.00 C ATOM 62 CH2 TRP A 4 -6.559 0.935 -6.363 1.00 0.00 C ATOM 0 H TRP A 4 -8.701 7.750 -3.796 1.00 0.00 H new ATOM 0 HA TRP A 4 -7.313 5.332 -3.763 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -9.177 6.643 -5.412 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.802 6.451 -6.480 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -10.782 4.713 -5.694 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -10.644 2.154 -6.004 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -5.705 4.210 -5.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -8.574 0.174 -6.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -4.681 1.984 -6.322 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -6.105 -0.034 -6.510 1.00 0.00 H new ATOM 73 N ALA A 5 -5.742 7.541 -5.673 1.00 0.00 N ATOM 74 CA ALA A 5 -4.413 7.900 -6.284 1.00 0.00 C ATOM 75 C ALA A 5 -3.260 7.739 -5.285 1.00 0.00 C ATOM 76 O ALA A 5 -2.220 7.185 -5.620 1.00 0.00 O ATOM 77 CB ALA A 5 -4.467 9.352 -6.764 1.00 0.00 C ATOM 0 H ALA A 5 -6.497 8.185 -5.909 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.227 7.222 -7.117 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.510 9.624 -7.209 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.256 9.460 -7.508 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.673 10.007 -5.918 1.00 0.00 H new ATOM 83 N THR A 6 -3.440 8.211 -4.070 1.00 0.00 N ATOM 84 CA THR A 6 -2.361 8.094 -3.041 1.00 0.00 C ATOM 85 C THR A 6 -2.205 6.630 -2.652 1.00 0.00 C ATOM 86 O THR A 6 -1.099 6.135 -2.531 1.00 0.00 O ATOM 87 CB THR A 6 -2.711 8.932 -1.802 1.00 0.00 C ATOM 88 OG1 THR A 6 -4.121 8.977 -1.626 1.00 0.00 O ATOM 89 CG2 THR A 6 -2.174 10.354 -1.976 1.00 0.00 C ATOM 0 H THR A 6 -4.291 8.673 -3.750 1.00 0.00 H new ATOM 0 HA THR A 6 -1.424 8.467 -3.455 1.00 0.00 H new ATOM 0 HB THR A 6 -2.256 8.474 -0.924 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.493 8.077 -1.733 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.423 10.947 -1.096 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.091 10.322 -2.097 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.625 10.808 -2.859 1.00 0.00 H new ATOM 97 N PHE A 7 -3.309 5.940 -2.472 1.00 0.00 N ATOM 98 CA PHE A 7 -3.262 4.490 -2.101 1.00 0.00 C ATOM 99 C PHE A 7 -2.589 3.707 -3.236 1.00 0.00 C ATOM 100 O PHE A 7 -1.862 2.757 -2.991 1.00 0.00 O ATOM 101 CB PHE A 7 -4.697 3.978 -1.898 1.00 0.00 C ATOM 102 CG PHE A 7 -4.680 2.498 -1.572 1.00 0.00 C ATOM 103 CD1 PHE A 7 -4.091 2.045 -0.387 1.00 0.00 C ATOM 104 CD2 PHE A 7 -5.245 1.583 -2.467 1.00 0.00 C ATOM 105 CE1 PHE A 7 -4.071 0.675 -0.097 1.00 0.00 C ATOM 106 CE2 PHE A 7 -5.226 0.214 -2.179 1.00 0.00 C ATOM 107 CZ PHE A 7 -4.637 -0.241 -0.992 1.00 0.00 C ATOM 0 H PHE A 7 -4.249 6.325 -2.568 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.695 4.355 -1.180 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.178 4.531 -1.091 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.285 4.153 -2.799 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.652 2.750 0.303 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.697 1.934 -3.383 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.618 0.324 0.819 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.664 -0.491 -2.870 1.00 0.00 H new ATOM 0 HZ PHE A 7 -4.620 -1.297 -0.768 1.00 0.00 H new ATOM 117 N LYS A 8 -2.843 4.097 -4.467 1.00 0.00 N ATOM 118 CA LYS A 8 -2.249 3.389 -5.644 1.00 0.00 C ATOM 119 C LYS A 8 -0.721 3.393 -5.541 1.00 0.00 C ATOM 120 O LYS A 8 -0.082 2.357 -5.644 1.00 0.00 O ATOM 121 CB LYS A 8 -2.670 4.093 -6.936 1.00 0.00 C ATOM 122 CG LYS A 8 -2.343 3.195 -8.133 1.00 0.00 C ATOM 123 CD LYS A 8 -3.400 3.382 -9.233 1.00 0.00 C ATOM 124 CE LYS A 8 -2.736 3.911 -10.508 1.00 0.00 C ATOM 125 NZ LYS A 8 -3.736 4.673 -11.308 1.00 0.00 N ATOM 0 H LYS A 8 -3.444 4.886 -4.705 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.607 2.360 -5.655 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.737 4.313 -6.913 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.150 5.047 -7.030 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.354 3.439 -8.522 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.314 2.152 -7.819 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.897 2.433 -9.438 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.168 4.078 -8.897 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.893 4.553 -10.253 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.339 3.083 -11.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.286 5.033 -12.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.527 4.047 -11.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.094 5.472 -10.746 1.00 0.00 H new ATOM 139 N LYS A 9 -0.142 4.557 -5.337 1.00 0.00 N ATOM 140 CA LYS A 9 1.349 4.668 -5.226 1.00 0.00 C ATOM 141 C LYS A 9 1.811 4.301 -3.812 1.00 0.00 C ATOM 142 O LYS A 9 2.992 4.093 -3.581 1.00 0.00 O ATOM 143 CB LYS A 9 1.770 6.106 -5.529 1.00 0.00 C ATOM 144 CG LYS A 9 1.860 6.305 -7.042 1.00 0.00 C ATOM 145 CD LYS A 9 3.251 5.893 -7.525 1.00 0.00 C ATOM 146 CE LYS A 9 3.302 5.951 -9.052 1.00 0.00 C ATOM 147 NZ LYS A 9 3.026 4.596 -9.606 1.00 0.00 N ATOM 0 H LYS A 9 -0.644 5.440 -5.242 1.00 0.00 H new ATOM 0 HA LYS A 9 1.806 3.981 -5.938 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.050 6.804 -5.102 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.733 6.319 -5.066 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.097 5.710 -7.544 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.669 7.348 -7.295 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.005 6.555 -7.101 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.482 4.885 -7.181 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.568 6.665 -9.425 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.281 6.299 -9.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.060 4.632 -10.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.742 3.927 -9.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.083 4.282 -9.301 1.00 0.00 H new ATOM 161 N LYS A 10 0.898 4.253 -2.865 1.00 0.00 N ATOM 162 CA LYS A 10 1.263 3.935 -1.452 1.00 0.00 C ATOM 163 C LYS A 10 1.347 2.425 -1.217 1.00 0.00 C ATOM 164 O LYS A 10 2.352 1.931 -0.730 1.00 0.00 O ATOM 165 CB LYS A 10 0.198 4.522 -0.529 1.00 0.00 C ATOM 166 CG LYS A 10 0.610 5.933 -0.106 1.00 0.00 C ATOM 167 CD LYS A 10 -0.519 6.570 0.704 1.00 0.00 C ATOM 168 CE LYS A 10 -0.389 6.155 2.169 1.00 0.00 C ATOM 169 NZ LYS A 10 -0.994 7.202 3.039 1.00 0.00 N ATOM 0 H LYS A 10 -0.096 4.424 -3.019 1.00 0.00 H new ATOM 0 HA LYS A 10 2.243 4.365 -1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.765 4.551 -1.039 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.074 3.889 0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.522 5.894 0.489 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.828 6.539 -0.985 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.476 7.656 0.617 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.486 6.256 0.310 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.887 5.199 2.333 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.661 6.016 2.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.920 6.911 4.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.489 8.101 2.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.996 7.326 2.788 1.00 0.00 H new ATOM 183 N HIS A 11 0.281 1.704 -1.507 1.00 0.00 N ATOM 184 CA HIS A 11 0.273 0.226 -1.239 1.00 0.00 C ATOM 185 C HIS A 11 -0.037 -0.600 -2.498 1.00 0.00 C ATOM 186 O HIS A 11 -0.349 -1.775 -2.385 1.00 0.00 O ATOM 187 CB HIS A 11 -0.788 -0.071 -0.174 1.00 0.00 C ATOM 188 CG HIS A 11 -0.171 0.000 1.197 1.00 0.00 C ATOM 189 ND1 HIS A 11 0.526 1.115 1.640 1.00 0.00 N ATOM 190 CD2 HIS A 11 -0.143 -0.896 2.237 1.00 0.00 C ATOM 191 CE1 HIS A 11 0.939 0.863 2.895 1.00 0.00 C ATOM 192 NE2 HIS A 11 0.558 -0.350 3.308 1.00 0.00 N ATOM 0 H HIS A 11 -0.577 2.075 -1.915 1.00 0.00 H new ATOM 0 HA HIS A 11 1.269 -0.057 -0.900 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -1.605 0.646 -0.252 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -1.215 -1.060 -0.339 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.596 -1.876 2.226 1.00 0.00 H new ATOM 0 HE1 HIS A 11 1.509 1.556 3.496 1.00 0.00 H new ATOM 0 HE2 HIS A 11 0.742 -0.782 4.213 1.00 0.00 H new ATOM 200 N LEU A 12 0.038 -0.019 -3.682 1.00 0.00 N ATOM 201 CA LEU A 12 -0.266 -0.816 -4.923 1.00 0.00 C ATOM 202 C LEU A 12 0.843 -0.648 -5.959 1.00 0.00 C ATOM 203 O LEU A 12 1.429 0.412 -6.086 1.00 0.00 O ATOM 204 CB LEU A 12 -1.594 -0.356 -5.524 1.00 0.00 C ATOM 205 CG LEU A 12 -2.745 -0.775 -4.609 1.00 0.00 C ATOM 206 CD1 LEU A 12 -4.016 -0.029 -5.017 1.00 0.00 C ATOM 207 CD2 LEU A 12 -2.978 -2.284 -4.736 1.00 0.00 C ATOM 0 H LEU A 12 0.292 0.956 -3.840 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.332 -1.868 -4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.592 0.727 -5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.727 -0.792 -6.514 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.494 -0.532 -3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.838 -0.327 -4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.852 1.045 -4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.265 -0.273 -6.050 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.799 -2.582 -4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.229 -2.528 -5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.073 -2.818 -4.447 1.00 0.00 H new ATOM 219 N THR A 13 1.116 -1.702 -6.704 1.00 0.00 N ATOM 220 CA THR A 13 2.179 -1.654 -7.763 1.00 0.00 C ATOM 221 C THR A 13 1.823 -2.638 -8.880 1.00 0.00 C ATOM 222 O THR A 13 0.927 -3.455 -8.735 1.00 0.00 O ATOM 223 CB THR A 13 3.544 -2.048 -7.174 1.00 0.00 C ATOM 224 OG1 THR A 13 3.366 -2.976 -6.111 1.00 0.00 O ATOM 225 CG2 THR A 13 4.271 -0.806 -6.652 1.00 0.00 C ATOM 0 H THR A 13 0.641 -2.601 -6.620 1.00 0.00 H new ATOM 0 HA THR A 13 2.237 -0.638 -8.154 1.00 0.00 H new ATOM 0 HB THR A 13 4.143 -2.510 -7.959 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.216 -3.101 -5.640 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.236 -1.097 -6.237 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.425 -0.103 -7.471 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.670 -0.332 -5.876 1.00 0.00 H new ATOM 233 N ASP A 14 2.531 -2.562 -9.985 1.00 0.00 N ATOM 234 CA ASP A 14 2.275 -3.484 -11.134 1.00 0.00 C ATOM 235 C ASP A 14 3.545 -4.303 -11.413 1.00 0.00 C ATOM 236 O ASP A 14 3.806 -4.708 -12.537 1.00 0.00 O ATOM 237 CB ASP A 14 1.896 -2.657 -12.368 1.00 0.00 C ATOM 238 CG ASP A 14 1.350 -3.583 -13.457 1.00 0.00 C ATOM 239 OD1 ASP A 14 0.463 -4.363 -13.153 1.00 0.00 O ATOM 240 OD2 ASP A 14 1.829 -3.496 -14.575 1.00 0.00 O ATOM 0 H ASP A 14 3.284 -1.891 -10.138 1.00 0.00 H new ATOM 0 HA ASP A 14 1.457 -4.164 -10.896 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.148 -1.910 -12.102 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.767 -2.117 -12.738 1.00 0.00 H new ATOM 245 N THR A 15 4.328 -4.544 -10.382 1.00 0.00 N ATOM 246 CA THR A 15 5.594 -5.328 -10.529 1.00 0.00 C ATOM 247 C THR A 15 6.061 -5.768 -9.139 1.00 0.00 C ATOM 248 O THR A 15 5.922 -5.029 -8.178 1.00 0.00 O ATOM 249 CB THR A 15 6.662 -4.447 -11.188 1.00 0.00 C ATOM 250 OG1 THR A 15 7.919 -5.123 -11.183 1.00 0.00 O ATOM 251 CG2 THR A 15 6.773 -3.117 -10.430 1.00 0.00 C ATOM 0 H THR A 15 4.137 -4.224 -9.433 1.00 0.00 H new ATOM 0 HA THR A 15 5.426 -6.206 -11.153 1.00 0.00 H new ATOM 0 HB THR A 15 6.376 -4.245 -12.220 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.597 -4.556 -11.607 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.533 -2.493 -10.900 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.813 -2.602 -10.456 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.053 -3.311 -9.394 1.00 0.00 H new ATOM 259 N TRP A 16 6.609 -6.962 -9.032 1.00 0.00 N ATOM 260 CA TRP A 16 7.089 -7.465 -7.707 1.00 0.00 C ATOM 261 C TRP A 16 8.226 -6.565 -7.225 1.00 0.00 C ATOM 262 O TRP A 16 8.345 -6.281 -6.044 1.00 0.00 O ATOM 263 CB TRP A 16 7.601 -8.906 -7.852 1.00 0.00 C ATOM 264 CG TRP A 16 7.368 -9.681 -6.584 1.00 0.00 C ATOM 265 CD1 TRP A 16 7.370 -9.165 -5.329 1.00 0.00 C ATOM 266 CD2 TRP A 16 7.111 -11.109 -6.433 1.00 0.00 C ATOM 267 NE1 TRP A 16 7.118 -10.181 -4.426 1.00 0.00 N ATOM 268 CE2 TRP A 16 6.954 -11.398 -5.056 1.00 0.00 C ATOM 269 CE3 TRP A 16 6.996 -12.171 -7.348 1.00 0.00 C ATOM 270 CZ2 TRP A 16 6.693 -12.690 -4.604 1.00 0.00 C ATOM 271 CZ3 TRP A 16 6.735 -13.475 -6.897 1.00 0.00 C ATOM 272 CH2 TRP A 16 6.583 -13.734 -5.528 1.00 0.00 C ATOM 0 H TRP A 16 6.743 -7.608 -9.810 1.00 0.00 H new ATOM 0 HA TRP A 16 6.270 -7.451 -6.988 1.00 0.00 H new ATOM 0 HB2 TRP A 16 7.093 -9.396 -8.683 1.00 0.00 H new ATOM 0 HB3 TRP A 16 8.665 -8.898 -8.089 1.00 0.00 H new ATOM 0 HD1 TRP A 16 7.541 -8.129 -5.077 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.060 -10.047 -3.416 1.00 0.00 H new ATOM 0 HE3 TRP A 16 7.109 -11.982 -8.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 6.577 -12.884 -3.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 6.651 -14.283 -7.609 1.00 0.00 H new ATOM 0 HH2 TRP A 16 6.381 -14.739 -5.187 1.00 0.00 H new ATOM 283 N ASP A 17 9.050 -6.115 -8.145 1.00 0.00 N ATOM 284 CA ASP A 17 10.196 -5.218 -7.790 1.00 0.00 C ATOM 285 C ASP A 17 9.705 -3.768 -7.735 1.00 0.00 C ATOM 286 O ASP A 17 9.276 -3.219 -8.735 1.00 0.00 O ATOM 287 CB ASP A 17 11.292 -5.349 -8.851 1.00 0.00 C ATOM 288 CG ASP A 17 12.188 -6.544 -8.514 1.00 0.00 C ATOM 289 OD1 ASP A 17 12.712 -6.574 -7.413 1.00 0.00 O ATOM 290 OD2 ASP A 17 12.336 -7.407 -9.364 1.00 0.00 O ATOM 0 H ASP A 17 8.975 -6.335 -9.138 1.00 0.00 H new ATOM 0 HA ASP A 17 10.598 -5.503 -6.818 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.845 -5.482 -9.836 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.885 -4.436 -8.891 1.00 0.00 H new ATOM 295 N VAL A 18 9.763 -3.156 -6.569 1.00 0.00 N ATOM 296 CA VAL A 18 9.297 -1.740 -6.412 1.00 0.00 C ATOM 297 C VAL A 18 10.502 -0.810 -6.235 1.00 0.00 C ATOM 298 O VAL A 18 11.565 -1.226 -5.802 1.00 0.00 O ATOM 299 CB VAL A 18 8.382 -1.649 -5.183 1.00 0.00 C ATOM 300 CG1 VAL A 18 7.923 -0.201 -4.968 1.00 0.00 C ATOM 301 CG2 VAL A 18 7.155 -2.535 -5.405 1.00 0.00 C ATOM 0 H VAL A 18 10.117 -3.584 -5.714 1.00 0.00 H new ATOM 0 HA VAL A 18 8.747 -1.434 -7.302 1.00 0.00 H new ATOM 0 HB VAL A 18 8.933 -1.982 -4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.275 -0.151 -4.093 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.793 0.437 -4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.375 0.141 -5.846 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.501 -2.475 -4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.616 -2.195 -6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.473 -3.568 -5.549 1.00 0.00 H new ATOM 311 N ASP A 19 10.320 0.451 -6.563 1.00 0.00 N ATOM 312 CA ASP A 19 11.415 1.462 -6.423 1.00 0.00 C ATOM 313 C ASP A 19 11.245 2.196 -5.091 1.00 0.00 C ATOM 314 O ASP A 19 10.433 3.099 -4.968 1.00 0.00 O ATOM 315 CB ASP A 19 11.336 2.462 -7.580 1.00 0.00 C ATOM 316 CG ASP A 19 11.364 1.705 -8.909 1.00 0.00 C ATOM 317 OD1 ASP A 19 10.373 1.067 -9.226 1.00 0.00 O ATOM 318 OD2 ASP A 19 12.376 1.775 -9.586 1.00 0.00 O ATOM 0 H ASP A 19 9.444 0.825 -6.927 1.00 0.00 H new ATOM 0 HA ASP A 19 12.385 0.966 -6.446 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.422 3.052 -7.504 1.00 0.00 H new ATOM 0 HB3 ASP A 19 12.171 3.161 -7.529 1.00 0.00 H new ATOM 323 N CYS A 20 11.998 1.789 -4.094 1.00 0.00 N ATOM 324 CA CYS A 20 11.903 2.416 -2.735 1.00 0.00 C ATOM 325 C CYS A 20 12.789 3.663 -2.654 1.00 0.00 C ATOM 326 O CYS A 20 12.332 4.729 -2.281 1.00 0.00 O ATOM 327 CB CYS A 20 12.374 1.410 -1.677 1.00 0.00 C ATOM 328 SG CYS A 20 11.718 -0.241 -2.041 1.00 0.00 S ATOM 0 H CYS A 20 12.684 1.038 -4.166 1.00 0.00 H new ATOM 0 HA CYS A 20 10.866 2.700 -2.556 1.00 0.00 H new ATOM 0 HB2 CYS A 20 13.463 1.379 -1.655 1.00 0.00 H new ATOM 0 HB3 CYS A 20 12.044 1.730 -0.689 1.00 0.00 H new ATOM 333 N ASP A 21 14.057 3.518 -2.971 1.00 0.00 N ATOM 334 CA ASP A 21 15.023 4.666 -2.889 1.00 0.00 C ATOM 335 C ASP A 21 14.643 5.794 -3.863 1.00 0.00 C ATOM 336 O ASP A 21 15.014 6.938 -3.650 1.00 0.00 O ATOM 337 CB ASP A 21 16.430 4.161 -3.224 1.00 0.00 C ATOM 338 CG ASP A 21 17.456 4.878 -2.345 1.00 0.00 C ATOM 339 OD1 ASP A 21 17.535 4.550 -1.172 1.00 0.00 O ATOM 340 OD2 ASP A 21 18.147 5.742 -2.859 1.00 0.00 O ATOM 0 H ASP A 21 14.469 2.640 -3.288 1.00 0.00 H new ATOM 0 HA ASP A 21 14.991 5.068 -1.876 1.00 0.00 H new ATOM 0 HB2 ASP A 21 16.488 3.084 -3.064 1.00 0.00 H new ATOM 0 HB3 ASP A 21 16.650 4.339 -4.277 1.00 0.00 H new ATOM 345 N ASN A 22 13.931 5.483 -4.927 1.00 0.00 N ATOM 346 CA ASN A 22 13.543 6.537 -5.928 1.00 0.00 C ATOM 347 C ASN A 22 12.376 7.377 -5.396 1.00 0.00 C ATOM 348 O ASN A 22 12.274 8.557 -5.688 1.00 0.00 O ATOM 349 CB ASN A 22 13.131 5.869 -7.242 1.00 0.00 C ATOM 350 CG ASN A 22 13.223 6.886 -8.383 1.00 0.00 C ATOM 351 OD1 ASN A 22 12.225 7.235 -8.982 1.00 0.00 O ATOM 352 ND2 ASN A 22 14.386 7.380 -8.709 1.00 0.00 N ATOM 0 H ASN A 22 13.601 4.543 -5.145 1.00 0.00 H new ATOM 0 HA ASN A 22 14.399 7.190 -6.098 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.778 5.017 -7.447 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.114 5.485 -7.164 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.457 8.059 -9.467 1.00 0.00 H new ATOM 0 HD22 ASN A 22 15.224 7.087 -8.206 1.00 0.00 H new ATOM 359 N LEU A 23 11.498 6.769 -4.627 1.00 0.00 N ATOM 360 CA LEU A 23 10.314 7.501 -4.063 1.00 0.00 C ATOM 361 C LEU A 23 10.588 7.923 -2.609 1.00 0.00 C ATOM 362 O LEU A 23 9.897 8.767 -2.069 1.00 0.00 O ATOM 363 CB LEU A 23 9.095 6.573 -4.084 1.00 0.00 C ATOM 364 CG LEU A 23 8.514 6.493 -5.498 1.00 0.00 C ATOM 365 CD1 LEU A 23 9.534 5.854 -6.443 1.00 0.00 C ATOM 366 CD2 LEU A 23 7.248 5.633 -5.467 1.00 0.00 C ATOM 0 H LEU A 23 11.553 5.785 -4.364 1.00 0.00 H new ATOM 0 HA LEU A 23 10.129 8.390 -4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.381 5.578 -3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.337 6.941 -3.392 1.00 0.00 H new ATOM 0 HG LEU A 23 8.277 7.497 -5.851 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.115 5.800 -7.448 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.442 6.457 -6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.773 4.849 -6.095 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.826 5.570 -6.470 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.497 4.632 -5.114 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.518 6.084 -4.794 1.00 0.00 H new ATOM 378 N MET A 24 11.575 7.319 -1.979 1.00 0.00 N ATOM 379 CA MET A 24 11.911 7.626 -0.549 1.00 0.00 C ATOM 380 C MET A 24 11.954 9.152 -0.258 1.00 0.00 C ATOM 381 O MET A 24 11.371 9.573 0.726 1.00 0.00 O ATOM 382 CB MET A 24 13.263 6.958 -0.205 1.00 0.00 C ATOM 383 CG MET A 24 13.747 7.376 1.192 1.00 0.00 C ATOM 384 SD MET A 24 14.821 8.830 1.046 1.00 0.00 S ATOM 385 CE MET A 24 16.289 7.971 0.428 1.00 0.00 C ATOM 0 H MET A 24 12.173 6.612 -2.407 1.00 0.00 H new ATOM 0 HA MET A 24 11.121 7.223 0.084 1.00 0.00 H new ATOM 0 HB2 MET A 24 13.158 5.874 -0.247 1.00 0.00 H new ATOM 0 HB3 MET A 24 14.009 7.235 -0.950 1.00 0.00 H new ATOM 0 HG2 MET A 24 12.894 7.603 1.832 1.00 0.00 H new ATOM 0 HG3 MET A 24 14.289 6.555 1.662 1.00 0.00 H new ATOM 0 HE1 MET A 24 17.091 8.047 1.162 1.00 0.00 H new ATOM 0 HE2 MET A 24 16.051 6.921 0.258 1.00 0.00 H new ATOM 0 HE3 MET A 24 16.610 8.427 -0.509 1.00 0.00 H new ATOM 395 N PRO A 25 12.662 9.936 -1.067 1.00 0.00 N ATOM 396 CA PRO A 25 12.794 11.393 -0.815 1.00 0.00 C ATOM 397 C PRO A 25 11.547 12.189 -1.223 1.00 0.00 C ATOM 398 O PRO A 25 11.488 13.385 -0.983 1.00 0.00 O ATOM 399 CB PRO A 25 13.987 11.803 -1.679 1.00 0.00 C ATOM 400 CG PRO A 25 14.109 10.737 -2.791 1.00 0.00 C ATOM 401 CD PRO A 25 13.386 9.479 -2.282 1.00 0.00 C ATOM 0 HA PRO A 25 12.923 11.600 0.247 1.00 0.00 H new ATOM 0 HB2 PRO A 25 13.834 12.794 -2.106 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.899 11.850 -1.084 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.660 11.093 -3.718 1.00 0.00 H new ATOM 0 HG3 PRO A 25 15.155 10.521 -3.006 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.698 9.086 -3.030 1.00 0.00 H new ATOM 0 HD3 PRO A 25 14.092 8.682 -2.048 1.00 0.00 H new ATOM 409 N THR A 26 10.563 11.559 -1.834 1.00 0.00 N ATOM 410 CA THR A 26 9.333 12.305 -2.257 1.00 0.00 C ATOM 411 C THR A 26 8.540 12.724 -1.018 1.00 0.00 C ATOM 412 O THR A 26 8.923 12.447 0.106 1.00 0.00 O ATOM 413 CB THR A 26 8.440 11.433 -3.155 1.00 0.00 C ATOM 414 OG1 THR A 26 9.214 10.420 -3.789 1.00 0.00 O ATOM 415 CG2 THR A 26 7.782 12.307 -4.224 1.00 0.00 C ATOM 0 H THR A 26 10.562 10.563 -2.056 1.00 0.00 H new ATOM 0 HA THR A 26 9.643 13.184 -2.822 1.00 0.00 H new ATOM 0 HB THR A 26 7.675 10.962 -2.538 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.135 9.584 -3.284 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.149 11.689 -4.861 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.175 13.074 -3.744 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.553 12.782 -4.831 1.00 0.00 H new ATOM 423 N SER A 27 7.431 13.388 -1.241 1.00 0.00 N ATOM 424 CA SER A 27 6.557 13.850 -0.115 1.00 0.00 C ATOM 425 C SER A 27 5.623 12.714 0.316 1.00 0.00 C ATOM 426 O SER A 27 5.150 12.690 1.440 1.00 0.00 O ATOM 427 CB SER A 27 5.724 15.048 -0.575 1.00 0.00 C ATOM 428 OG SER A 27 6.442 16.246 -0.312 1.00 0.00 O ATOM 0 H SER A 27 7.089 13.633 -2.170 1.00 0.00 H new ATOM 0 HA SER A 27 7.182 14.142 0.729 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.506 14.967 -1.640 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.767 15.062 -0.054 1.00 0.00 H new ATOM 0 HG SER A 27 5.913 17.016 -0.607 1.00 0.00 H new ATOM 434 N LEU A 28 5.366 11.774 -0.574 1.00 0.00 N ATOM 435 CA LEU A 28 4.472 10.622 -0.247 1.00 0.00 C ATOM 436 C LEU A 28 5.197 9.727 0.748 1.00 0.00 C ATOM 437 O LEU A 28 4.639 9.320 1.754 1.00 0.00 O ATOM 438 CB LEU A 28 4.167 9.835 -1.524 1.00 0.00 C ATOM 439 CG LEU A 28 3.172 8.714 -1.213 1.00 0.00 C ATOM 440 CD1 LEU A 28 1.744 9.237 -1.374 1.00 0.00 C ATOM 441 CD2 LEU A 28 3.398 7.549 -2.180 1.00 0.00 C ATOM 0 H LEU A 28 5.745 11.762 -1.521 1.00 0.00 H new ATOM 0 HA LEU A 28 3.534 10.977 0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.755 10.500 -2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.086 9.416 -1.933 1.00 0.00 H new ATOM 0 HG LEU A 28 3.320 8.373 -0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.037 8.438 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.581 10.067 -0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.595 9.579 -2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.690 6.750 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.250 7.892 -3.204 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.415 7.174 -2.066 1.00 0.00 H new ATOM 453 N PHE A 29 6.447 9.442 0.466 1.00 0.00 N ATOM 454 CA PHE A 29 7.270 8.594 1.371 1.00 0.00 C ATOM 455 C PHE A 29 7.891 9.494 2.437 1.00 0.00 C ATOM 456 O PHE A 29 7.921 9.153 3.606 1.00 0.00 O ATOM 457 CB PHE A 29 8.383 7.926 0.561 1.00 0.00 C ATOM 458 CG PHE A 29 7.980 6.520 0.184 1.00 0.00 C ATOM 459 CD1 PHE A 29 6.749 6.282 -0.442 1.00 0.00 C ATOM 460 CD2 PHE A 29 8.844 5.452 0.454 1.00 0.00 C ATOM 461 CE1 PHE A 29 6.384 4.978 -0.796 1.00 0.00 C ATOM 462 CE2 PHE A 29 8.480 4.149 0.100 1.00 0.00 C ATOM 463 CZ PHE A 29 7.250 3.912 -0.525 1.00 0.00 C ATOM 0 H PHE A 29 6.934 9.769 -0.368 1.00 0.00 H new ATOM 0 HA PHE A 29 6.653 7.826 1.838 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.588 8.507 -0.338 1.00 0.00 H new ATOM 0 HB3 PHE A 29 9.304 7.905 1.143 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.082 7.105 -0.651 1.00 0.00 H new ATOM 0 HD2 PHE A 29 9.793 5.635 0.936 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.435 4.794 -1.278 1.00 0.00 H new ATOM 0 HE2 PHE A 29 9.147 3.326 0.309 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.969 2.906 -0.798 1.00 0.00 H new ATOM 473 N ASP A 30 8.381 10.651 2.022 1.00 0.00 N ATOM 474 CA ASP A 30 9.019 11.629 2.974 1.00 0.00 C ATOM 475 C ASP A 30 9.994 10.892 3.920 1.00 0.00 C ATOM 476 O ASP A 30 10.004 11.109 5.125 1.00 0.00 O ATOM 477 CB ASP A 30 7.917 12.336 3.777 1.00 0.00 C ATOM 478 CG ASP A 30 8.311 13.797 4.012 1.00 0.00 C ATOM 479 OD1 ASP A 30 8.466 14.512 3.036 1.00 0.00 O ATOM 480 OD2 ASP A 30 8.451 14.174 5.163 1.00 0.00 O ATOM 0 H ASP A 30 8.364 10.960 1.050 1.00 0.00 H new ATOM 0 HA ASP A 30 9.588 12.371 2.413 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.971 12.286 3.238 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.767 11.831 4.731 1.00 0.00 H new ATOM 485 N CYS A 31 10.805 10.012 3.365 1.00 0.00 N ATOM 486 CA CYS A 31 11.779 9.229 4.192 1.00 0.00 C ATOM 487 C CYS A 31 10.991 8.388 5.212 1.00 0.00 C ATOM 488 O CYS A 31 11.410 8.196 6.344 1.00 0.00 O ATOM 489 CB CYS A 31 12.733 10.194 4.912 1.00 0.00 C ATOM 490 SG CYS A 31 14.394 10.039 4.207 1.00 0.00 S ATOM 0 H CYS A 31 10.830 9.805 2.367 1.00 0.00 H new ATOM 0 HA CYS A 31 12.370 8.568 3.558 1.00 0.00 H new ATOM 0 HB2 CYS A 31 12.377 11.219 4.809 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.757 9.971 5.979 1.00 0.00 H new ATOM 495 N LYS A 32 9.840 7.893 4.799 1.00 0.00 N ATOM 496 CA LYS A 32 8.972 7.065 5.700 1.00 0.00 C ATOM 497 C LYS A 32 9.773 5.886 6.263 1.00 0.00 C ATOM 498 O LYS A 32 10.913 5.664 5.887 1.00 0.00 O ATOM 499 CB LYS A 32 7.766 6.536 4.903 1.00 0.00 C ATOM 500 CG LYS A 32 6.476 7.196 5.406 1.00 0.00 C ATOM 501 CD LYS A 32 5.284 6.681 4.592 1.00 0.00 C ATOM 502 CE LYS A 32 4.894 5.285 5.083 1.00 0.00 C ATOM 503 NZ LYS A 32 4.060 5.403 6.313 1.00 0.00 N ATOM 0 H LYS A 32 9.463 8.032 3.861 1.00 0.00 H new ATOM 0 HA LYS A 32 8.622 7.683 6.527 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.901 6.744 3.842 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.696 5.453 5.009 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.330 6.974 6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.551 8.280 5.315 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.439 7.363 4.693 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.541 6.647 3.533 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.342 4.756 4.306 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.789 4.699 5.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.223 4.577 6.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.319 6.269 6.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.055 5.445 6.048 1.00 0.00 H new ATOM 517 N ASP A 33 9.169 5.143 7.162 1.00 0.00 N ATOM 518 CA ASP A 33 9.852 3.965 7.785 1.00 0.00 C ATOM 519 C ASP A 33 9.777 2.765 6.839 1.00 0.00 C ATOM 520 O ASP A 33 10.771 2.096 6.605 1.00 0.00 O ATOM 521 CB ASP A 33 9.163 3.614 9.106 1.00 0.00 C ATOM 522 CG ASP A 33 9.230 4.812 10.056 1.00 0.00 C ATOM 523 OD1 ASP A 33 10.327 5.274 10.318 1.00 0.00 O ATOM 524 OD2 ASP A 33 8.182 5.245 10.506 1.00 0.00 O ATOM 0 H ASP A 33 8.219 5.306 7.494 1.00 0.00 H new ATOM 0 HA ASP A 33 10.897 4.213 7.972 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.124 3.340 8.924 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.646 2.749 9.561 1.00 0.00 H new ATOM 529 N LYS A 34 8.605 2.491 6.302 1.00 0.00 N ATOM 530 CA LYS A 34 8.443 1.333 5.364 1.00 0.00 C ATOM 531 C LYS A 34 7.141 1.475 4.569 1.00 0.00 C ATOM 532 O LYS A 34 6.193 2.091 5.025 1.00 0.00 O ATOM 533 CB LYS A 34 8.418 0.026 6.164 1.00 0.00 C ATOM 534 CG LYS A 34 7.277 0.064 7.185 1.00 0.00 C ATOM 535 CD LYS A 34 7.681 -0.724 8.435 1.00 0.00 C ATOM 536 CE LYS A 34 6.529 -0.738 9.446 1.00 0.00 C ATOM 537 NZ LYS A 34 6.944 -0.013 10.681 1.00 0.00 N ATOM 0 H LYS A 34 7.753 3.024 6.476 1.00 0.00 H new ATOM 0 HA LYS A 34 9.282 1.319 4.668 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.287 -0.821 5.490 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.370 -0.117 6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.048 1.096 7.451 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.372 -0.362 6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.946 -1.745 8.160 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.566 -0.275 8.887 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.646 -0.267 9.014 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.256 -1.765 9.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.163 -0.022 11.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.775 -0.481 11.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.184 0.970 10.442 1.00 0.00 H new ATOM 551 N ASN A 35 7.096 0.888 3.387 1.00 0.00 N ATOM 552 CA ASN A 35 5.865 0.952 2.534 1.00 0.00 C ATOM 553 C ASN A 35 5.621 -0.425 1.909 1.00 0.00 C ATOM 554 O ASN A 35 6.451 -0.928 1.171 1.00 0.00 O ATOM 555 CB ASN A 35 6.058 1.993 1.425 1.00 0.00 C ATOM 556 CG ASN A 35 5.373 3.304 1.824 1.00 0.00 C ATOM 557 OD1 ASN A 35 5.801 3.968 2.746 1.00 0.00 O ATOM 558 ND2 ASN A 35 4.319 3.709 1.161 1.00 0.00 N ATOM 0 H ASN A 35 7.869 0.364 2.978 1.00 0.00 H new ATOM 0 HA ASN A 35 5.009 1.238 3.145 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.121 2.164 1.254 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.640 1.623 0.489 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.858 4.582 1.419 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.959 3.152 0.386 1.00 0.00 H new ATOM 565 N THR A 36 4.489 -1.030 2.209 1.00 0.00 N ATOM 566 CA THR A 36 4.168 -2.383 1.651 1.00 0.00 C ATOM 567 C THR A 36 3.231 -2.237 0.453 1.00 0.00 C ATOM 568 O THR A 36 2.155 -1.673 0.565 1.00 0.00 O ATOM 569 CB THR A 36 3.487 -3.230 2.729 1.00 0.00 C ATOM 570 OG1 THR A 36 4.254 -3.175 3.923 1.00 0.00 O ATOM 571 CG2 THR A 36 3.382 -4.682 2.258 1.00 0.00 C ATOM 0 H THR A 36 3.772 -0.639 2.820 1.00 0.00 H new ATOM 0 HA THR A 36 5.090 -2.869 1.331 1.00 0.00 H new ATOM 0 HB THR A 36 2.486 -2.840 2.916 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.820 -3.715 4.616 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.897 -5.280 3.029 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.794 -4.725 1.341 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.380 -5.076 2.068 1.00 0.00 H new ATOM 579 N PHE A 37 3.643 -2.749 -0.688 1.00 0.00 N ATOM 580 CA PHE A 37 2.800 -2.664 -1.917 1.00 0.00 C ATOM 581 C PHE A 37 2.154 -4.023 -2.186 1.00 0.00 C ATOM 582 O PHE A 37 2.602 -5.041 -1.683 1.00 0.00 O ATOM 583 CB PHE A 37 3.670 -2.281 -3.116 1.00 0.00 C ATOM 584 CG PHE A 37 4.271 -0.911 -2.905 1.00 0.00 C ATOM 585 CD1 PHE A 37 5.249 -0.715 -1.921 1.00 0.00 C ATOM 586 CD2 PHE A 37 3.856 0.161 -3.702 1.00 0.00 C ATOM 587 CE1 PHE A 37 5.810 0.554 -1.738 1.00 0.00 C ATOM 588 CE2 PHE A 37 4.417 1.429 -3.518 1.00 0.00 C ATOM 589 CZ PHE A 37 5.395 1.626 -2.536 1.00 0.00 C ATOM 0 H PHE A 37 4.536 -3.225 -0.815 1.00 0.00 H new ATOM 0 HA PHE A 37 2.028 -1.909 -1.769 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.462 -3.017 -3.250 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.071 -2.288 -4.027 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.569 -1.542 -1.305 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.102 0.009 -4.460 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.564 0.706 -0.980 1.00 0.00 H new ATOM 0 HE2 PHE A 37 4.096 2.256 -4.134 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.829 2.605 -2.394 1.00 0.00 H new ATOM 599 N ILE A 38 1.112 -4.031 -2.984 1.00 0.00 N ATOM 600 CA ILE A 38 0.404 -5.301 -3.328 1.00 0.00 C ATOM 601 C ILE A 38 0.591 -5.577 -4.818 1.00 0.00 C ATOM 602 O ILE A 38 0.565 -4.663 -5.628 1.00 0.00 O ATOM 603 CB ILE A 38 -1.088 -5.154 -3.016 1.00 0.00 C ATOM 604 CG1 ILE A 38 -1.280 -4.696 -1.559 1.00 0.00 C ATOM 605 CG2 ILE A 38 -1.791 -6.497 -3.230 1.00 0.00 C ATOM 606 CD1 ILE A 38 -0.663 -5.714 -0.592 1.00 0.00 C ATOM 0 H ILE A 38 0.718 -3.196 -3.417 1.00 0.00 H new ATOM 0 HA ILE A 38 0.812 -6.126 -2.744 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.519 -4.407 -3.682 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.817 -3.720 -1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.342 -4.579 -1.345 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.853 -6.391 -3.008 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.667 -6.812 -4.266 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.355 -7.246 -2.569 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.807 -5.375 0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.146 -6.682 -0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.404 -5.809 -0.796 1.00 0.00 H new ATOM 618 N TYR A 39 0.783 -6.828 -5.181 1.00 0.00 N ATOM 619 CA TYR A 39 0.979 -7.188 -6.622 1.00 0.00 C ATOM 620 C TYR A 39 -0.371 -7.622 -7.213 1.00 0.00 C ATOM 621 O TYR A 39 -0.655 -8.803 -7.363 1.00 0.00 O ATOM 622 CB TYR A 39 2.002 -8.326 -6.730 1.00 0.00 C ATOM 623 CG TYR A 39 2.300 -8.597 -8.186 1.00 0.00 C ATOM 624 CD1 TYR A 39 2.830 -7.583 -8.994 1.00 0.00 C ATOM 625 CD2 TYR A 39 2.047 -9.864 -8.728 1.00 0.00 C ATOM 626 CE1 TYR A 39 3.106 -7.836 -10.344 1.00 0.00 C ATOM 627 CE2 TYR A 39 2.324 -10.116 -10.078 1.00 0.00 C ATOM 628 CZ TYR A 39 2.854 -9.102 -10.885 1.00 0.00 C ATOM 629 OH TYR A 39 3.126 -9.352 -12.216 1.00 0.00 O ATOM 0 H TYR A 39 0.812 -7.617 -4.535 1.00 0.00 H new ATOM 0 HA TYR A 39 1.355 -6.329 -7.177 1.00 0.00 H new ATOM 0 HB2 TYR A 39 2.918 -8.057 -6.204 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.613 -9.226 -6.254 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.026 -6.606 -8.576 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.639 -10.646 -8.105 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.513 -7.054 -10.967 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.129 -11.092 -10.496 1.00 0.00 H new ATOM 0 HH TYR A 39 2.894 -10.280 -12.429 1.00 0.00 H new ATOM 639 N SER A 40 -1.205 -6.657 -7.542 1.00 0.00 N ATOM 640 CA SER A 40 -2.551 -6.966 -8.121 1.00 0.00 C ATOM 641 C SER A 40 -2.921 -5.912 -9.168 1.00 0.00 C ATOM 642 O SER A 40 -2.199 -4.949 -9.372 1.00 0.00 O ATOM 643 CB SER A 40 -3.597 -6.969 -7.004 1.00 0.00 C ATOM 644 OG SER A 40 -3.849 -8.309 -6.599 1.00 0.00 O ATOM 0 H SER A 40 -1.006 -5.663 -7.432 1.00 0.00 H new ATOM 0 HA SER A 40 -2.522 -7.947 -8.596 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.243 -6.382 -6.157 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.519 -6.503 -7.352 1.00 0.00 H new ATOM 0 HG SER A 40 -4.517 -8.314 -5.882 1.00 0.00 H new ATOM 650 N LEU A 41 -4.043 -6.103 -9.826 1.00 0.00 N ATOM 651 CA LEU A 41 -4.503 -5.140 -10.876 1.00 0.00 C ATOM 652 C LEU A 41 -5.584 -4.212 -10.286 1.00 0.00 C ATOM 653 O LEU A 41 -6.147 -4.525 -9.252 1.00 0.00 O ATOM 654 CB LEU A 41 -5.092 -5.925 -12.050 1.00 0.00 C ATOM 655 CG LEU A 41 -3.968 -6.361 -12.990 1.00 0.00 C ATOM 656 CD1 LEU A 41 -3.133 -7.452 -12.315 1.00 0.00 C ATOM 657 CD2 LEU A 41 -4.575 -6.911 -14.282 1.00 0.00 C ATOM 0 H LEU A 41 -4.666 -6.897 -9.676 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.660 -4.540 -11.219 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.632 -6.798 -11.683 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.812 -5.308 -12.589 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.331 -5.507 -13.219 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.331 -7.763 -12.985 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.704 -7.063 -11.392 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.768 -8.308 -12.087 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.776 -7.223 -14.955 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.210 -7.767 -14.051 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.172 -6.136 -14.762 1.00 0.00 H new ATOM 669 N PRO A 42 -5.858 -3.099 -10.960 1.00 0.00 N ATOM 670 CA PRO A 42 -6.876 -2.129 -10.498 1.00 0.00 C ATOM 671 C PRO A 42 -8.300 -2.647 -10.758 1.00 0.00 C ATOM 672 O PRO A 42 -9.260 -2.095 -10.245 1.00 0.00 O ATOM 673 CB PRO A 42 -6.584 -0.872 -11.323 1.00 0.00 C ATOM 674 CG PRO A 42 -5.805 -1.336 -12.574 1.00 0.00 C ATOM 675 CD PRO A 42 -5.197 -2.708 -12.231 1.00 0.00 C ATOM 0 HA PRO A 42 -6.826 -1.948 -9.424 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.510 -0.371 -11.607 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.999 -0.157 -10.745 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.467 -1.411 -13.437 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.025 -0.620 -12.832 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.390 -3.436 -13.019 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.115 -2.645 -12.113 1.00 0.00 H new ATOM 683 N GLY A 43 -8.438 -3.701 -11.543 1.00 0.00 N ATOM 684 CA GLY A 43 -9.791 -4.272 -11.844 1.00 0.00 C ATOM 685 C GLY A 43 -10.340 -5.014 -10.608 1.00 0.00 C ATOM 686 O GLY A 43 -11.413 -4.680 -10.136 1.00 0.00 O ATOM 0 H GLY A 43 -7.661 -4.190 -11.989 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.475 -3.474 -12.132 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.725 -4.957 -12.690 1.00 0.00 H new ATOM 690 N PRO A 44 -9.602 -6.009 -10.120 1.00 0.00 N ATOM 691 CA PRO A 44 -10.026 -6.809 -8.948 1.00 0.00 C ATOM 692 C PRO A 44 -9.849 -6.031 -7.638 1.00 0.00 C ATOM 693 O PRO A 44 -10.550 -6.286 -6.671 1.00 0.00 O ATOM 694 CB PRO A 44 -9.107 -8.034 -8.987 1.00 0.00 C ATOM 695 CG PRO A 44 -7.864 -7.625 -9.807 1.00 0.00 C ATOM 696 CD PRO A 44 -8.290 -6.430 -10.679 1.00 0.00 C ATOM 0 HA PRO A 44 -11.083 -7.071 -8.987 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.824 -8.339 -7.979 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.612 -8.883 -9.447 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.039 -7.351 -9.150 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.518 -8.453 -10.426 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.560 -5.622 -10.629 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.379 -6.715 -11.727 1.00 0.00 H new ATOM 704 N VAL A 45 -8.930 -5.086 -7.602 1.00 0.00 N ATOM 705 CA VAL A 45 -8.709 -4.280 -6.357 1.00 0.00 C ATOM 706 C VAL A 45 -9.883 -3.316 -6.198 1.00 0.00 C ATOM 707 O VAL A 45 -10.538 -3.290 -5.166 1.00 0.00 O ATOM 708 CB VAL A 45 -7.384 -3.509 -6.468 1.00 0.00 C ATOM 709 CG1 VAL A 45 -7.178 -2.604 -5.244 1.00 0.00 C ATOM 710 CG2 VAL A 45 -6.230 -4.512 -6.539 1.00 0.00 C ATOM 0 H VAL A 45 -8.324 -4.841 -8.385 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.650 -4.931 -5.484 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.412 -2.890 -7.365 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.234 -2.067 -5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.997 -1.888 -5.179 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.156 -3.213 -4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.285 -3.974 -6.618 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.225 -5.125 -5.638 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.357 -5.152 -7.412 1.00 0.00 H new ATOM 720 N LYS A 46 -10.157 -2.545 -7.224 1.00 0.00 N ATOM 721 CA LYS A 46 -11.298 -1.582 -7.181 1.00 0.00 C ATOM 722 C LYS A 46 -12.602 -2.368 -7.024 1.00 0.00 C ATOM 723 O LYS A 46 -13.568 -1.869 -6.469 1.00 0.00 O ATOM 724 CB LYS A 46 -11.340 -0.778 -8.483 1.00 0.00 C ATOM 725 CG LYS A 46 -10.142 0.173 -8.534 1.00 0.00 C ATOM 726 CD LYS A 46 -10.222 1.024 -9.802 1.00 0.00 C ATOM 727 CE LYS A 46 -10.968 2.325 -9.499 1.00 0.00 C ATOM 728 NZ LYS A 46 -10.741 3.299 -10.605 1.00 0.00 N ATOM 0 H LYS A 46 -9.631 -2.544 -8.098 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.173 -0.898 -6.342 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.320 -1.452 -9.340 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -12.270 -0.212 -8.544 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.135 0.814 -7.652 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.212 -0.395 -8.522 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.219 1.244 -10.168 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.735 0.473 -10.590 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.034 2.128 -9.387 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.621 2.744 -8.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.248 4.183 -10.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.723 3.496 -10.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.093 2.898 -11.498 1.00 0.00 H new ATOM 742 N ALA A 47 -12.626 -3.594 -7.513 1.00 0.00 N ATOM 743 CA ALA A 47 -13.855 -4.444 -7.410 1.00 0.00 C ATOM 744 C ALA A 47 -14.236 -4.630 -5.937 1.00 0.00 C ATOM 745 O ALA A 47 -15.408 -4.674 -5.598 1.00 0.00 O ATOM 746 CB ALA A 47 -13.578 -5.809 -8.039 1.00 0.00 C ATOM 0 H ALA A 47 -11.838 -4.040 -7.982 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.677 -3.956 -7.934 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.470 -6.431 -7.966 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.311 -5.679 -9.088 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.755 -6.292 -7.512 1.00 0.00 H new ATOM 752 N LEU A 48 -13.250 -4.743 -5.072 1.00 0.00 N ATOM 753 CA LEU A 48 -13.519 -4.933 -3.611 1.00 0.00 C ATOM 754 C LEU A 48 -14.243 -3.703 -3.055 1.00 0.00 C ATOM 755 O LEU A 48 -15.091 -3.820 -2.184 1.00 0.00 O ATOM 756 CB LEU A 48 -12.191 -5.125 -2.870 1.00 0.00 C ATOM 757 CG LEU A 48 -11.925 -6.618 -2.672 1.00 0.00 C ATOM 758 CD1 LEU A 48 -11.204 -7.178 -3.899 1.00 0.00 C ATOM 759 CD2 LEU A 48 -11.050 -6.822 -1.433 1.00 0.00 C ATOM 0 H LEU A 48 -12.262 -4.711 -5.322 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.146 -5.813 -3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -11.378 -4.673 -3.437 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -12.225 -4.620 -1.905 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.874 -7.138 -2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -11.015 -8.242 -3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -11.826 -7.035 -4.783 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.256 -6.656 -4.034 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -10.861 -7.886 -1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.103 -6.300 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.562 -6.426 -0.556 1.00 0.00 H new ATOM 771 N CYS A 49 -13.906 -2.532 -3.553 1.00 0.00 N ATOM 772 CA CYS A 49 -14.555 -1.271 -3.069 1.00 0.00 C ATOM 773 C CYS A 49 -15.911 -1.065 -3.759 1.00 0.00 C ATOM 774 O CYS A 49 -16.715 -0.266 -3.305 1.00 0.00 O ATOM 775 CB CYS A 49 -13.645 -0.080 -3.373 1.00 0.00 C ATOM 776 SG CYS A 49 -12.542 0.209 -1.965 1.00 0.00 S ATOM 0 H CYS A 49 -13.203 -2.398 -4.280 1.00 0.00 H new ATOM 0 HA CYS A 49 -14.715 -1.350 -1.994 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -13.061 -0.275 -4.273 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -14.244 0.809 -3.568 1.00 0.00 H new ATOM 781 N ARG A 50 -16.171 -1.774 -4.845 1.00 0.00 N ATOM 782 CA ARG A 50 -17.474 -1.620 -5.568 1.00 0.00 C ATOM 783 C ARG A 50 -18.630 -1.941 -4.614 1.00 0.00 C ATOM 784 O ARG A 50 -19.000 -3.091 -4.433 1.00 0.00 O ATOM 785 CB ARG A 50 -17.509 -2.570 -6.769 1.00 0.00 C ATOM 786 CG ARG A 50 -18.545 -2.075 -7.779 1.00 0.00 C ATOM 787 CD ARG A 50 -18.988 -3.235 -8.672 1.00 0.00 C ATOM 788 NE ARG A 50 -20.407 -3.035 -9.077 1.00 0.00 N ATOM 789 CZ ARG A 50 -20.705 -2.849 -10.334 1.00 0.00 C ATOM 790 NH1 ARG A 50 -20.564 -1.667 -10.870 1.00 0.00 N ATOM 791 NH2 ARG A 50 -21.144 -3.845 -11.054 1.00 0.00 N ATOM 0 H ARG A 50 -15.530 -2.453 -5.257 1.00 0.00 H new ATOM 0 HA ARG A 50 -17.576 -0.594 -5.921 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -16.525 -2.620 -7.236 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -17.758 -3.579 -6.441 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -19.405 -1.656 -7.257 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -18.121 -1.276 -8.387 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -18.351 -3.292 -9.555 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -18.880 -4.180 -8.139 1.00 0.00 H new ATOM 0 HE ARG A 50 -21.145 -3.043 -8.373 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -20.221 -0.889 -10.306 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -20.797 -1.521 -11.852 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -21.254 -4.768 -10.634 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -21.377 -3.700 -12.036 1.00 0.00 H new ATOM 805 N GLY A 51 -19.190 -0.920 -4.001 1.00 0.00 N ATOM 806 CA GLY A 51 -20.322 -1.119 -3.044 1.00 0.00 C ATOM 807 C GLY A 51 -20.088 -0.265 -1.797 1.00 0.00 C ATOM 808 O GLY A 51 -21.029 0.207 -1.177 1.00 0.00 O ATOM 0 H GLY A 51 -18.905 0.051 -4.127 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -21.265 -0.843 -3.516 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -20.400 -2.171 -2.769 1.00 0.00 H new ATOM 812 N VAL A 52 -18.837 -0.066 -1.435 1.00 0.00 N ATOM 813 CA VAL A 52 -18.502 0.757 -0.231 1.00 0.00 C ATOM 814 C VAL A 52 -18.995 2.190 -0.445 1.00 0.00 C ATOM 815 O VAL A 52 -18.755 2.783 -1.484 1.00 0.00 O ATOM 816 CB VAL A 52 -16.986 0.759 -0.017 1.00 0.00 C ATOM 817 CG1 VAL A 52 -16.649 1.503 1.280 1.00 0.00 C ATOM 818 CG2 VAL A 52 -16.484 -0.684 0.079 1.00 0.00 C ATOM 0 H VAL A 52 -18.029 -0.444 -1.930 1.00 0.00 H new ATOM 0 HA VAL A 52 -18.987 0.333 0.648 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.503 1.259 -0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -15.569 1.503 1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -17.006 2.531 1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -17.132 1.005 2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -15.405 -0.684 0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -16.969 -1.183 0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -16.720 -1.214 -0.844 1.00 0.00 H new ATOM 828 N ILE A 53 -19.685 2.737 0.534 1.00 0.00 N ATOM 829 CA ILE A 53 -20.216 4.132 0.420 1.00 0.00 C ATOM 830 C ILE A 53 -19.535 5.033 1.451 1.00 0.00 C ATOM 831 O ILE A 53 -19.246 6.186 1.175 1.00 0.00 O ATOM 832 CB ILE A 53 -21.724 4.127 0.684 1.00 0.00 C ATOM 833 CG1 ILE A 53 -22.415 3.062 -0.186 1.00 0.00 C ATOM 834 CG2 ILE A 53 -22.304 5.508 0.368 1.00 0.00 C ATOM 835 CD1 ILE A 53 -22.159 3.337 -1.674 1.00 0.00 C ATOM 0 H ILE A 53 -19.903 2.269 1.414 1.00 0.00 H new ATOM 0 HA ILE A 53 -20.015 4.508 -0.583 1.00 0.00 H new ATOM 0 HB ILE A 53 -21.899 3.890 1.733 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -22.043 2.072 0.076 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -23.487 3.062 0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -23.378 5.503 0.556 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -21.828 6.256 1.001 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -22.120 5.749 -0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -22.654 2.575 -2.275 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -22.553 4.319 -1.936 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -21.087 3.313 -1.869 1.00 0.00 H new ATOM 847 N PHE A 54 -19.281 4.509 2.630 1.00 0.00 N ATOM 848 CA PHE A 54 -18.619 5.316 3.706 1.00 0.00 C ATOM 849 C PHE A 54 -17.362 4.597 4.199 1.00 0.00 C ATOM 850 O PHE A 54 -17.030 3.518 3.736 1.00 0.00 O ATOM 851 CB PHE A 54 -19.589 5.511 4.875 1.00 0.00 C ATOM 852 CG PHE A 54 -20.125 4.172 5.325 1.00 0.00 C ATOM 853 CD1 PHE A 54 -19.451 3.443 6.313 1.00 0.00 C ATOM 854 CD2 PHE A 54 -21.300 3.664 4.758 1.00 0.00 C ATOM 855 CE1 PHE A 54 -19.953 2.204 6.733 1.00 0.00 C ATOM 856 CE2 PHE A 54 -21.800 2.426 5.178 1.00 0.00 C ATOM 857 CZ PHE A 54 -21.126 1.695 6.165 1.00 0.00 C ATOM 0 H PHE A 54 -19.506 3.550 2.893 1.00 0.00 H new ATOM 0 HA PHE A 54 -18.340 6.288 3.300 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -19.081 6.006 5.702 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -20.412 6.159 4.573 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -18.545 3.836 6.751 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -21.820 4.227 3.997 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -19.434 1.642 7.495 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -22.706 2.034 4.741 1.00 0.00 H new ATOM 0 HZ PHE A 54 -21.512 0.739 6.487 1.00 0.00 H new ATOM 867 N SER A 55 -16.666 5.207 5.133 1.00 0.00 N ATOM 868 CA SER A 55 -15.412 4.608 5.691 1.00 0.00 C ATOM 869 C SER A 55 -15.702 3.227 6.282 1.00 0.00 C ATOM 870 O SER A 55 -16.461 3.098 7.230 1.00 0.00 O ATOM 871 CB SER A 55 -14.859 5.522 6.784 1.00 0.00 C ATOM 872 OG SER A 55 -15.914 5.900 7.660 1.00 0.00 O ATOM 0 H SER A 55 -16.920 6.109 5.537 1.00 0.00 H new ATOM 0 HA SER A 55 -14.681 4.503 4.890 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.075 5.009 7.341 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.406 6.408 6.339 1.00 0.00 H new ATOM 0 HG SER A 55 -16.426 5.105 7.917 1.00 0.00 H new ATOM 878 N ALA A 56 -15.092 2.201 5.724 1.00 0.00 N ATOM 879 CA ALA A 56 -15.296 0.808 6.228 1.00 0.00 C ATOM 880 C ALA A 56 -14.006 0.016 6.016 1.00 0.00 C ATOM 881 O ALA A 56 -13.262 0.289 5.091 1.00 0.00 O ATOM 882 CB ALA A 56 -16.436 0.143 5.452 1.00 0.00 C ATOM 0 H ALA A 56 -14.455 2.276 4.931 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.550 0.831 7.288 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.583 -0.872 5.821 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -17.353 0.716 5.590 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -16.184 0.111 4.392 1.00 0.00 H new ATOM 888 N ASP A 57 -13.737 -0.954 6.864 1.00 0.00 N ATOM 889 CA ASP A 57 -12.487 -1.768 6.720 1.00 0.00 C ATOM 890 C ASP A 57 -12.805 -3.077 6.000 1.00 0.00 C ATOM 891 O ASP A 57 -13.702 -3.806 6.390 1.00 0.00 O ATOM 892 CB ASP A 57 -11.901 -2.069 8.102 1.00 0.00 C ATOM 893 CG ASP A 57 -12.981 -2.674 9.002 1.00 0.00 C ATOM 894 OD1 ASP A 57 -13.260 -3.853 8.850 1.00 0.00 O ATOM 895 OD2 ASP A 57 -13.509 -1.949 9.828 1.00 0.00 O ATOM 0 H ASP A 57 -14.332 -1.216 7.650 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.758 -1.204 6.137 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.063 -2.760 8.009 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.512 -1.154 8.549 1.00 0.00 H new ATOM 900 N VAL A 58 -12.066 -3.367 4.949 1.00 0.00 N ATOM 901 CA VAL A 58 -12.289 -4.622 4.169 1.00 0.00 C ATOM 902 C VAL A 58 -11.037 -5.497 4.254 1.00 0.00 C ATOM 903 O VAL A 58 -9.926 -4.995 4.315 1.00 0.00 O ATOM 904 CB VAL A 58 -12.572 -4.269 2.703 1.00 0.00 C ATOM 905 CG1 VAL A 58 -12.803 -5.548 1.888 1.00 0.00 C ATOM 906 CG2 VAL A 58 -13.818 -3.385 2.622 1.00 0.00 C ATOM 0 H VAL A 58 -11.311 -2.777 4.599 1.00 0.00 H new ATOM 0 HA VAL A 58 -13.141 -5.164 4.580 1.00 0.00 H new ATOM 0 HB VAL A 58 -11.714 -3.735 2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -13.003 -5.286 0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.915 -6.177 1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -13.656 -6.090 2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -14.019 -3.134 1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -14.672 -3.920 3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -13.652 -2.470 3.190 1.00 0.00 H new ATOM 916 N LEU A 59 -11.222 -6.797 4.243 1.00 0.00 N ATOM 917 CA LEU A 59 -10.068 -7.744 4.307 1.00 0.00 C ATOM 918 C LEU A 59 -9.966 -8.487 2.976 1.00 0.00 C ATOM 919 O LEU A 59 -10.951 -9.005 2.477 1.00 0.00 O ATOM 920 CB LEU A 59 -10.290 -8.750 5.438 1.00 0.00 C ATOM 921 CG LEU A 59 -9.860 -8.125 6.766 1.00 0.00 C ATOM 922 CD1 LEU A 59 -10.370 -8.983 7.924 1.00 0.00 C ATOM 923 CD2 LEU A 59 -8.333 -8.052 6.820 1.00 0.00 C ATOM 0 H LEU A 59 -12.137 -7.245 4.192 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.147 -7.192 4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.340 -9.038 5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -9.718 -9.658 5.249 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.277 -7.121 6.848 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.063 -8.537 8.870 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.458 -9.038 7.885 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.953 -9.987 7.844 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.023 -7.607 7.766 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.918 -9.056 6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.969 -7.441 5.995 1.00 0.00 H new ATOM 935 N SER A 60 -8.780 -8.538 2.402 1.00 0.00 N ATOM 936 CA SER A 60 -8.580 -9.243 1.090 1.00 0.00 C ATOM 937 C SER A 60 -9.105 -10.680 1.192 1.00 0.00 C ATOM 938 O SER A 60 -8.866 -11.361 2.176 1.00 0.00 O ATOM 939 CB SER A 60 -7.090 -9.260 0.744 1.00 0.00 C ATOM 940 OG SER A 60 -6.380 -9.962 1.755 1.00 0.00 O ATOM 0 H SER A 60 -7.936 -8.117 2.791 1.00 0.00 H new ATOM 0 HA SER A 60 -9.127 -8.717 0.307 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.935 -9.738 -0.223 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.713 -8.241 0.660 1.00 0.00 H new ATOM 0 HG SER A 60 -6.921 -10.716 2.071 1.00 0.00 H new ATOM 946 N ASN A 61 -9.823 -11.129 0.184 1.00 0.00 N ATOM 947 CA ASN A 61 -10.389 -12.514 0.196 1.00 0.00 C ATOM 948 C ASN A 61 -9.267 -13.539 0.027 1.00 0.00 C ATOM 949 O ASN A 61 -9.360 -14.650 0.524 1.00 0.00 O ATOM 950 CB ASN A 61 -11.391 -12.664 -0.949 1.00 0.00 C ATOM 951 CG ASN A 61 -12.646 -11.847 -0.639 1.00 0.00 C ATOM 952 OD1 ASN A 61 -12.998 -10.950 -1.378 1.00 0.00 O ATOM 953 ND2 ASN A 61 -13.337 -12.119 0.433 1.00 0.00 N ATOM 0 H ASN A 61 -10.041 -10.587 -0.652 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.890 -12.687 1.148 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -10.945 -12.324 -1.884 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.652 -13.714 -1.083 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.174 -11.578 0.651 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.041 -12.873 1.053 1.00 0.00 H new ATOM 960 N SER A 62 -8.217 -13.170 -0.675 1.00 0.00 N ATOM 961 CA SER A 62 -7.072 -14.109 -0.897 1.00 0.00 C ATOM 962 C SER A 62 -5.750 -13.374 -0.672 1.00 0.00 C ATOM 963 O SER A 62 -5.640 -12.190 -0.946 1.00 0.00 O ATOM 964 CB SER A 62 -7.120 -14.639 -2.331 1.00 0.00 C ATOM 965 OG SER A 62 -7.840 -15.865 -2.355 1.00 0.00 O ATOM 0 H SER A 62 -8.106 -12.252 -1.105 1.00 0.00 H new ATOM 0 HA SER A 62 -7.147 -14.940 -0.196 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.599 -13.910 -2.985 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.109 -14.790 -2.709 1.00 0.00 H new ATOM 0 HG SER A 62 -7.874 -16.206 -3.273 1.00 0.00 H new ATOM 971 N GLU A 63 -4.752 -14.078 -0.178 1.00 0.00 N ATOM 972 CA GLU A 63 -3.417 -13.451 0.072 1.00 0.00 C ATOM 973 C GLU A 63 -2.738 -13.165 -1.264 1.00 0.00 C ATOM 974 O GLU A 63 -2.720 -14.007 -2.147 1.00 0.00 O ATOM 975 CB GLU A 63 -2.542 -14.407 0.886 1.00 0.00 C ATOM 976 CG GLU A 63 -3.255 -14.777 2.186 1.00 0.00 C ATOM 977 CD GLU A 63 -2.742 -16.132 2.679 1.00 0.00 C ATOM 978 OE1 GLU A 63 -3.133 -17.135 2.106 1.00 0.00 O ATOM 979 OE2 GLU A 63 -1.965 -16.142 3.619 1.00 0.00 O ATOM 0 H GLU A 63 -4.811 -15.067 0.063 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.552 -12.522 0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.332 -15.306 0.306 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.583 -13.939 1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.078 -14.012 2.942 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.332 -14.821 2.023 1.00 0.00 H new ATOM 986 N PHE A 64 -2.176 -11.984 -1.410 1.00 0.00 N ATOM 987 CA PHE A 64 -1.479 -11.615 -2.686 1.00 0.00 C ATOM 988 C PHE A 64 0.013 -11.466 -2.415 1.00 0.00 C ATOM 989 O PHE A 64 0.449 -11.468 -1.271 1.00 0.00 O ATOM 990 CB PHE A 64 -2.005 -10.277 -3.228 1.00 0.00 C ATOM 991 CG PHE A 64 -3.509 -10.195 -3.081 1.00 0.00 C ATOM 992 CD1 PHE A 64 -4.327 -11.164 -3.678 1.00 0.00 C ATOM 993 CD2 PHE A 64 -4.083 -9.149 -2.349 1.00 0.00 C ATOM 994 CE1 PHE A 64 -5.718 -11.086 -3.540 1.00 0.00 C ATOM 995 CE2 PHE A 64 -5.473 -9.071 -2.212 1.00 0.00 C ATOM 996 CZ PHE A 64 -6.291 -10.039 -2.808 1.00 0.00 C ATOM 0 H PHE A 64 -2.171 -11.257 -0.695 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.666 -12.399 -3.419 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.537 -9.452 -2.691 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.731 -10.171 -4.278 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.885 -11.970 -4.244 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.453 -8.402 -1.890 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.349 -11.833 -3.998 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -5.915 -8.264 -1.647 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.364 -9.978 -2.703 1.00 0.00 H new ATOM 1006 N TYR A 65 0.789 -11.306 -3.463 1.00 0.00 N ATOM 1007 CA TYR A 65 2.260 -11.117 -3.303 1.00 0.00 C ATOM 1008 C TYR A 65 2.477 -9.716 -2.744 1.00 0.00 C ATOM 1009 O TYR A 65 1.721 -8.808 -3.052 1.00 0.00 O ATOM 1010 CB TYR A 65 2.953 -11.266 -4.656 1.00 0.00 C ATOM 1011 CG TYR A 65 3.129 -12.734 -4.963 1.00 0.00 C ATOM 1012 CD1 TYR A 65 3.858 -13.546 -4.088 1.00 0.00 C ATOM 1013 CD2 TYR A 65 2.562 -13.282 -6.120 1.00 0.00 C ATOM 1014 CE1 TYR A 65 4.022 -14.907 -4.367 1.00 0.00 C ATOM 1015 CE2 TYR A 65 2.725 -14.645 -6.400 1.00 0.00 C ATOM 1016 CZ TYR A 65 3.456 -15.456 -5.524 1.00 0.00 C ATOM 1017 OH TYR A 65 3.618 -16.798 -5.800 1.00 0.00 O ATOM 0 H TYR A 65 0.459 -11.299 -4.428 1.00 0.00 H new ATOM 0 HA TYR A 65 2.679 -11.864 -2.630 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.361 -10.787 -5.436 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.922 -10.767 -4.639 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.295 -13.122 -3.196 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.000 -12.655 -6.796 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.585 -15.534 -3.691 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.287 -15.070 -7.291 1.00 0.00 H new ATOM 0 HH TYR A 65 3.162 -17.017 -6.639 1.00 0.00 H new ATOM 1027 N LEU A 66 3.470 -9.542 -1.901 1.00 0.00 N ATOM 1028 CA LEU A 66 3.705 -8.203 -1.281 1.00 0.00 C ATOM 1029 C LEU A 66 5.133 -7.716 -1.533 1.00 0.00 C ATOM 1030 O LEU A 66 6.092 -8.323 -1.087 1.00 0.00 O ATOM 1031 CB LEU A 66 3.471 -8.291 0.232 1.00 0.00 C ATOM 1032 CG LEU A 66 2.147 -9.009 0.520 1.00 0.00 C ATOM 1033 CD1 LEU A 66 2.040 -9.305 2.017 1.00 0.00 C ATOM 1034 CD2 LEU A 66 0.982 -8.116 0.092 1.00 0.00 C ATOM 0 H LEU A 66 4.125 -10.271 -1.618 1.00 0.00 H new ATOM 0 HA LEU A 66 3.010 -7.496 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.294 -8.827 0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.452 -7.290 0.664 1.00 0.00 H new ATOM 0 HG LEU A 66 2.113 -9.945 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.099 -9.815 2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.871 -9.941 2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.074 -8.370 2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.040 -8.625 0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.017 -7.180 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.057 -7.906 -0.975 1.00 0.00 H new ATOM 1046 N ALA A 67 5.255 -6.595 -2.208 1.00 0.00 N ATOM 1047 CA ALA A 67 6.591 -5.983 -2.477 1.00 0.00 C ATOM 1048 C ALA A 67 6.695 -4.751 -1.580 1.00 0.00 C ATOM 1049 O ALA A 67 6.124 -3.714 -1.881 1.00 0.00 O ATOM 1050 CB ALA A 67 6.691 -5.572 -3.949 1.00 0.00 C ATOM 0 H ALA A 67 4.467 -6.071 -2.590 1.00 0.00 H new ATOM 0 HA ALA A 67 7.397 -6.688 -2.272 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.668 -5.127 -4.137 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.565 -6.451 -4.581 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.911 -4.846 -4.178 1.00 0.00 H new ATOM 1056 N GLU A 68 7.374 -4.877 -0.459 1.00 0.00 N ATOM 1057 CA GLU A 68 7.473 -3.737 0.504 1.00 0.00 C ATOM 1058 C GLU A 68 8.879 -3.152 0.546 1.00 0.00 C ATOM 1059 O GLU A 68 9.829 -3.716 0.027 1.00 0.00 O ATOM 1060 CB GLU A 68 7.108 -4.231 1.904 1.00 0.00 C ATOM 1061 CG GLU A 68 7.974 -5.444 2.258 1.00 0.00 C ATOM 1062 CD GLU A 68 7.902 -5.708 3.763 1.00 0.00 C ATOM 1063 OE1 GLU A 68 8.358 -4.864 4.514 1.00 0.00 O ATOM 1064 OE2 GLU A 68 7.392 -6.752 4.137 1.00 0.00 O ATOM 0 H GLU A 68 7.864 -5.725 -0.173 1.00 0.00 H new ATOM 0 HA GLU A 68 6.787 -2.958 0.172 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.261 -3.436 2.634 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.052 -4.500 1.943 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.631 -6.321 1.709 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.007 -5.265 1.960 1.00 0.00 H new ATOM 1071 N CYS A 69 8.991 -2.020 1.198 1.00 0.00 N ATOM 1072 CA CYS A 69 10.297 -1.322 1.359 1.00 0.00 C ATOM 1073 C CYS A 69 10.494 -1.055 2.851 1.00 0.00 C ATOM 1074 O CYS A 69 9.605 -0.531 3.500 1.00 0.00 O ATOM 1075 CB CYS A 69 10.264 0.011 0.606 1.00 0.00 C ATOM 1076 SG CYS A 69 9.909 -0.283 -1.145 1.00 0.00 S ATOM 0 H CYS A 69 8.205 -1.540 1.637 1.00 0.00 H new ATOM 0 HA CYS A 69 11.109 -1.931 0.962 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.504 0.663 1.036 1.00 0.00 H new ATOM 0 HB3 CYS A 69 11.221 0.523 0.712 1.00 0.00 H new ATOM 1081 N ASN A 70 11.631 -1.427 3.397 1.00 0.00 N ATOM 1082 CA ASN A 70 11.877 -1.211 4.858 1.00 0.00 C ATOM 1083 C ASN A 70 13.158 -0.407 5.063 1.00 0.00 C ATOM 1084 O ASN A 70 14.217 -0.786 4.587 1.00 0.00 O ATOM 1085 CB ASN A 70 12.015 -2.565 5.555 1.00 0.00 C ATOM 1086 CG ASN A 70 11.595 -2.429 7.019 1.00 0.00 C ATOM 1087 OD1 ASN A 70 12.391 -2.065 7.861 1.00 0.00 O ATOM 1088 ND2 ASN A 70 10.367 -2.710 7.361 1.00 0.00 N ATOM 0 H ASN A 70 12.398 -1.871 2.892 1.00 0.00 H new ATOM 0 HA ASN A 70 11.038 -0.659 5.281 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.394 -3.309 5.055 1.00 0.00 H new ATOM 0 HB3 ASN A 70 13.045 -2.915 5.492 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.076 -2.624 8.335 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.698 -3.016 6.654 1.00 0.00 H new ATOM 1095 N VAL A 71 13.063 0.690 5.785 1.00 0.00 N ATOM 1096 CA VAL A 71 14.262 1.535 6.058 1.00 0.00 C ATOM 1097 C VAL A 71 15.120 0.832 7.116 1.00 0.00 C ATOM 1098 O VAL A 71 14.733 0.739 8.270 1.00 0.00 O ATOM 1099 CB VAL A 71 13.817 2.923 6.561 1.00 0.00 C ATOM 1100 CG1 VAL A 71 15.029 3.744 7.023 1.00 0.00 C ATOM 1101 CG2 VAL A 71 13.121 3.674 5.423 1.00 0.00 C ATOM 0 H VAL A 71 12.196 1.034 6.198 1.00 0.00 H new ATOM 0 HA VAL A 71 14.844 1.671 5.147 1.00 0.00 H new ATOM 0 HB VAL A 71 13.136 2.786 7.401 1.00 0.00 H new ATOM 0 HG11 VAL A 71 14.695 4.720 7.374 1.00 0.00 H new ATOM 0 HG12 VAL A 71 15.535 3.220 7.834 1.00 0.00 H new ATOM 0 HG13 VAL A 71 15.719 3.875 6.189 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.805 4.656 5.775 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.813 3.793 4.589 1.00 0.00 H new ATOM 0 HG23 VAL A 71 12.249 3.109 5.094 1.00 0.00 H new ATOM 1111 N LYS A 72 16.279 0.344 6.723 1.00 0.00 N ATOM 1112 CA LYS A 72 17.185 -0.355 7.687 1.00 0.00 C ATOM 1113 C LYS A 72 17.548 0.612 8.830 1.00 0.00 C ATOM 1114 O LYS A 72 17.572 1.811 8.615 1.00 0.00 O ATOM 1115 CB LYS A 72 18.458 -0.800 6.961 1.00 0.00 C ATOM 1116 CG LYS A 72 18.144 -2.001 6.066 1.00 0.00 C ATOM 1117 CD LYS A 72 19.068 -1.985 4.847 1.00 0.00 C ATOM 1118 CE LYS A 72 20.460 -2.471 5.255 1.00 0.00 C ATOM 1119 NZ LYS A 72 20.466 -3.959 5.337 1.00 0.00 N ATOM 0 H LYS A 72 16.634 0.403 5.769 1.00 0.00 H new ATOM 0 HA LYS A 72 16.683 -1.231 8.097 1.00 0.00 H new ATOM 0 HB2 LYS A 72 18.853 0.020 6.361 1.00 0.00 H new ATOM 0 HB3 LYS A 72 19.228 -1.065 7.685 1.00 0.00 H new ATOM 0 HG2 LYS A 72 18.277 -2.928 6.624 1.00 0.00 H new ATOM 0 HG3 LYS A 72 17.102 -1.967 5.746 1.00 0.00 H new ATOM 0 HD2 LYS A 72 18.663 -2.624 4.062 1.00 0.00 H new ATOM 0 HD3 LYS A 72 19.129 -0.977 4.437 1.00 0.00 H new ATOM 0 HE2 LYS A 72 21.201 -2.134 4.530 1.00 0.00 H new ATOM 0 HE3 LYS A 72 20.738 -2.043 6.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 21.445 -4.298 5.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 19.915 -4.263 6.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 20.043 -4.356 4.474 1.00 0.00 H new ATOM 1133 N PRO A 73 17.812 0.075 10.018 1.00 0.00 N ATOM 1134 CA PRO A 73 18.160 0.896 11.196 1.00 0.00 C ATOM 1135 C PRO A 73 19.611 1.376 11.115 1.00 0.00 C ATOM 1136 O PRO A 73 20.474 0.675 10.616 1.00 0.00 O ATOM 1137 CB PRO A 73 17.965 -0.057 12.378 1.00 0.00 C ATOM 1138 CG PRO A 73 18.071 -1.489 11.806 1.00 0.00 C ATOM 1139 CD PRO A 73 17.792 -1.384 10.297 1.00 0.00 C ATOM 0 HA PRO A 73 17.551 1.796 11.277 1.00 0.00 H new ATOM 0 HB2 PRO A 73 18.723 0.113 13.143 1.00 0.00 H new ATOM 0 HB3 PRO A 73 16.995 0.102 12.849 1.00 0.00 H new ATOM 0 HG2 PRO A 73 19.061 -1.906 11.988 1.00 0.00 H new ATOM 0 HG3 PRO A 73 17.352 -2.152 12.287 1.00 0.00 H new ATOM 0 HD2 PRO A 73 18.549 -1.910 9.715 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.829 -1.825 10.039 1.00 0.00 H new ATOM 1147 N ARG A 74 19.865 2.573 11.602 1.00 0.00 N ATOM 1148 CA ARG A 74 21.243 3.158 11.579 1.00 0.00 C ATOM 1149 C ARG A 74 21.687 3.374 10.126 1.00 0.00 C ATOM 1150 O ARG A 74 22.871 3.362 9.819 1.00 0.00 O ATOM 1151 CB ARG A 74 22.222 2.226 12.309 1.00 0.00 C ATOM 1152 CG ARG A 74 21.835 2.138 13.789 1.00 0.00 C ATOM 1153 CD ARG A 74 23.064 1.771 14.629 1.00 0.00 C ATOM 1154 NE ARG A 74 22.973 0.343 15.044 1.00 0.00 N ATOM 1155 CZ ARG A 74 22.619 0.036 16.264 1.00 0.00 C ATOM 1156 NH1 ARG A 74 23.331 0.456 17.274 1.00 0.00 N ATOM 1157 NH2 ARG A 74 21.553 -0.688 16.471 1.00 0.00 N ATOM 0 H ARG A 74 19.159 3.178 12.022 1.00 0.00 H new ATOM 0 HA ARG A 74 21.236 4.120 12.091 1.00 0.00 H new ATOM 0 HB2 ARG A 74 22.202 1.234 11.857 1.00 0.00 H new ATOM 0 HB3 ARG A 74 23.241 2.601 12.210 1.00 0.00 H new ATOM 0 HG2 ARG A 74 21.426 3.091 14.124 1.00 0.00 H new ATOM 0 HG3 ARG A 74 21.054 1.390 13.926 1.00 0.00 H new ATOM 0 HD2 ARG A 74 23.974 1.936 14.053 1.00 0.00 H new ATOM 0 HD3 ARG A 74 23.122 2.413 15.508 1.00 0.00 H new ATOM 0 HE ARG A 74 23.187 -0.396 14.375 1.00 0.00 H new ATOM 0 HH11 ARG A 74 24.163 1.023 17.111 1.00 0.00 H new ATOM 0 HH12 ARG A 74 23.056 0.217 18.227 1.00 0.00 H new ATOM 0 HH21 ARG A 74 20.997 -1.014 15.681 1.00 0.00 H new ATOM 0 HH22 ARG A 74 21.276 -0.928 17.423 1.00 0.00 H new ATOM 1171 N LYS A 75 20.737 3.590 9.238 1.00 0.00 N ATOM 1172 CA LYS A 75 21.068 3.831 7.797 1.00 0.00 C ATOM 1173 C LYS A 75 20.382 5.131 7.329 1.00 0.00 C ATOM 1174 O LYS A 75 19.315 5.454 7.820 1.00 0.00 O ATOM 1175 CB LYS A 75 20.576 2.655 6.948 1.00 0.00 C ATOM 1176 CG LYS A 75 21.165 1.351 7.489 1.00 0.00 C ATOM 1177 CD LYS A 75 22.651 1.272 7.131 1.00 0.00 C ATOM 1178 CE LYS A 75 22.806 0.758 5.699 1.00 0.00 C ATOM 1179 NZ LYS A 75 24.074 1.286 5.119 1.00 0.00 N ATOM 0 H LYS A 75 19.741 3.609 9.456 1.00 0.00 H new ATOM 0 HA LYS A 75 22.148 3.925 7.683 1.00 0.00 H new ATOM 0 HB2 LYS A 75 19.487 2.610 6.967 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.871 2.795 5.908 1.00 0.00 H new ATOM 0 HG2 LYS A 75 21.038 1.304 8.571 1.00 0.00 H new ATOM 0 HG3 LYS A 75 20.633 0.498 7.068 1.00 0.00 H new ATOM 0 HD2 LYS A 75 23.112 2.255 7.227 1.00 0.00 H new ATOM 0 HD3 LYS A 75 23.168 0.609 7.824 1.00 0.00 H new ATOM 0 HE2 LYS A 75 22.815 -0.332 5.691 1.00 0.00 H new ATOM 0 HE3 LYS A 75 21.957 1.074 5.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 24.182 0.938 4.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 24.047 2.326 5.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 24.879 0.963 5.693 1.00 0.00 H new ATOM 1193 N PRO A 76 21.012 5.851 6.402 1.00 0.00 N ATOM 1194 CA PRO A 76 20.462 7.123 5.880 1.00 0.00 C ATOM 1195 C PRO A 76 19.276 6.884 4.923 1.00 0.00 C ATOM 1196 O PRO A 76 19.410 6.946 3.710 1.00 0.00 O ATOM 1197 CB PRO A 76 21.655 7.767 5.160 1.00 0.00 C ATOM 1198 CG PRO A 76 22.634 6.621 4.823 1.00 0.00 C ATOM 1199 CD PRO A 76 22.314 5.473 5.796 1.00 0.00 C ATOM 0 HA PRO A 76 20.056 7.758 6.667 1.00 0.00 H new ATOM 0 HB2 PRO A 76 21.331 8.279 4.254 1.00 0.00 H new ATOM 0 HB3 PRO A 76 22.134 8.513 5.794 1.00 0.00 H new ATOM 0 HG2 PRO A 76 22.512 6.298 3.789 1.00 0.00 H new ATOM 0 HG3 PRO A 76 23.668 6.948 4.935 1.00 0.00 H new ATOM 0 HD2 PRO A 76 22.247 4.518 5.275 1.00 0.00 H new ATOM 0 HD3 PRO A 76 23.089 5.368 6.555 1.00 0.00 H new ATOM 1207 N CYS A 77 18.109 6.638 5.483 1.00 0.00 N ATOM 1208 CA CYS A 77 16.865 6.419 4.668 1.00 0.00 C ATOM 1209 C CYS A 77 17.107 5.416 3.516 1.00 0.00 C ATOM 1210 O CYS A 77 16.703 5.643 2.382 1.00 0.00 O ATOM 1211 CB CYS A 77 16.399 7.772 4.108 1.00 0.00 C ATOM 1212 SG CYS A 77 15.246 8.544 5.269 1.00 0.00 S ATOM 0 H CYS A 77 17.965 6.579 6.491 1.00 0.00 H new ATOM 0 HA CYS A 77 16.095 5.992 5.310 1.00 0.00 H new ATOM 0 HB2 CYS A 77 17.257 8.424 3.944 1.00 0.00 H new ATOM 0 HB3 CYS A 77 15.917 7.630 3.141 1.00 0.00 H new ATOM 1217 N LYS A 78 17.737 4.297 3.810 1.00 0.00 N ATOM 1218 CA LYS A 78 17.986 3.259 2.757 1.00 0.00 C ATOM 1219 C LYS A 78 16.901 2.189 2.873 1.00 0.00 C ATOM 1220 O LYS A 78 16.658 1.670 3.948 1.00 0.00 O ATOM 1221 CB LYS A 78 19.367 2.628 2.959 1.00 0.00 C ATOM 1222 CG LYS A 78 20.361 3.235 1.960 1.00 0.00 C ATOM 1223 CD LYS A 78 21.666 3.584 2.679 1.00 0.00 C ATOM 1224 CE LYS A 78 22.636 4.258 1.701 1.00 0.00 C ATOM 1225 NZ LYS A 78 23.981 3.630 1.826 1.00 0.00 N ATOM 0 H LYS A 78 18.089 4.060 4.737 1.00 0.00 H new ATOM 0 HA LYS A 78 17.958 3.715 1.768 1.00 0.00 H new ATOM 0 HB2 LYS A 78 19.711 2.799 3.979 1.00 0.00 H new ATOM 0 HB3 LYS A 78 19.309 1.549 2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 78 20.557 2.529 1.153 1.00 0.00 H new ATOM 0 HG3 LYS A 78 19.934 4.129 1.505 1.00 0.00 H new ATOM 0 HD2 LYS A 78 21.462 4.248 3.519 1.00 0.00 H new ATOM 0 HD3 LYS A 78 22.118 2.681 3.089 1.00 0.00 H new ATOM 0 HE2 LYS A 78 22.269 4.157 0.680 1.00 0.00 H new ATOM 0 HE3 LYS A 78 22.700 5.325 1.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 24.640 4.086 1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 24.330 3.748 2.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 23.913 2.616 1.604 1.00 0.00 H new ATOM 1239 N TYR A 79 16.239 1.881 1.778 1.00 0.00 N ATOM 1240 CA TYR A 79 15.134 0.868 1.802 1.00 0.00 C ATOM 1241 C TYR A 79 15.639 -0.511 1.382 1.00 0.00 C ATOM 1242 O TYR A 79 16.580 -0.639 0.616 1.00 0.00 O ATOM 1243 CB TYR A 79 14.040 1.295 0.822 1.00 0.00 C ATOM 1244 CG TYR A 79 13.082 2.245 1.498 1.00 0.00 C ATOM 1245 CD1 TYR A 79 12.301 1.805 2.573 1.00 0.00 C ATOM 1246 CD2 TYR A 79 12.972 3.565 1.046 1.00 0.00 C ATOM 1247 CE1 TYR A 79 11.410 2.687 3.195 1.00 0.00 C ATOM 1248 CE2 TYR A 79 12.081 4.446 1.670 1.00 0.00 C ATOM 1249 CZ TYR A 79 11.301 4.007 2.743 1.00 0.00 C ATOM 1250 OH TYR A 79 10.426 4.878 3.356 1.00 0.00 O ATOM 0 H TYR A 79 16.420 2.293 0.862 1.00 0.00 H new ATOM 0 HA TYR A 79 14.749 0.811 2.820 1.00 0.00 H new ATOM 0 HB2 TYR A 79 14.487 1.775 -0.048 1.00 0.00 H new ATOM 0 HB3 TYR A 79 13.502 0.419 0.461 1.00 0.00 H new ATOM 0 HD1 TYR A 79 12.386 0.786 2.922 1.00 0.00 H new ATOM 0 HD2 TYR A 79 13.574 3.904 0.216 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.806 2.349 4.024 1.00 0.00 H new ATOM 0 HE2 TYR A 79 11.996 5.465 1.322 1.00 0.00 H new ATOM 0 HH TYR A 79 10.878 5.325 4.102 1.00 0.00 H new ATOM 1260 N LYS A 80 14.984 -1.536 1.879 1.00 0.00 N ATOM 1261 CA LYS A 80 15.349 -2.944 1.536 1.00 0.00 C ATOM 1262 C LYS A 80 14.122 -3.614 0.910 1.00 0.00 C ATOM 1263 O LYS A 80 13.043 -3.585 1.479 1.00 0.00 O ATOM 1264 CB LYS A 80 15.762 -3.687 2.813 1.00 0.00 C ATOM 1265 CG LYS A 80 16.667 -4.876 2.460 1.00 0.00 C ATOM 1266 CD LYS A 80 15.911 -6.188 2.686 1.00 0.00 C ATOM 1267 CE LYS A 80 16.039 -6.605 4.153 1.00 0.00 C ATOM 1268 NZ LYS A 80 16.111 -8.090 4.243 1.00 0.00 N ATOM 0 H LYS A 80 14.196 -1.450 2.521 1.00 0.00 H new ATOM 0 HA LYS A 80 16.183 -2.966 0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.286 -3.008 3.485 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.876 -4.038 3.342 1.00 0.00 H new ATOM 0 HG2 LYS A 80 16.988 -4.805 1.421 1.00 0.00 H new ATOM 0 HG3 LYS A 80 17.568 -4.854 3.074 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.861 -6.065 2.422 1.00 0.00 H new ATOM 0 HD3 LYS A 80 16.313 -6.968 2.039 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.932 -6.160 4.592 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.186 -6.236 4.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 16.198 -8.374 5.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.247 -8.505 3.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 16.939 -8.430 3.713 1.00 0.00 H new ATOM 1282 N LEU A 81 14.278 -4.196 -0.264 1.00 0.00 N ATOM 1283 CA LEU A 81 13.122 -4.854 -0.958 1.00 0.00 C ATOM 1284 C LEU A 81 12.823 -6.205 -0.301 1.00 0.00 C ATOM 1285 O LEU A 81 13.719 -6.997 -0.063 1.00 0.00 O ATOM 1286 CB LEU A 81 13.469 -5.065 -2.439 1.00 0.00 C ATOM 1287 CG LEU A 81 12.262 -4.704 -3.311 1.00 0.00 C ATOM 1288 CD1 LEU A 81 12.734 -4.363 -4.726 1.00 0.00 C ATOM 1289 CD2 LEU A 81 11.299 -5.893 -3.369 1.00 0.00 C ATOM 0 H LEU A 81 15.162 -4.242 -0.770 1.00 0.00 H new ATOM 0 HA LEU A 81 12.242 -4.216 -0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.325 -4.448 -2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.756 -6.102 -2.611 1.00 0.00 H new ATOM 0 HG LEU A 81 11.752 -3.842 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.874 -4.107 -5.345 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.418 -3.516 -4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.246 -5.224 -5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.440 -5.636 -3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.811 -6.755 -3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.959 -6.136 -2.362 1.00 0.00 H new ATOM 1301 N LYS A 82 11.561 -6.459 -0.009 1.00 0.00 N ATOM 1302 CA LYS A 82 11.163 -7.750 0.637 1.00 0.00 C ATOM 1303 C LYS A 82 9.912 -8.304 -0.057 1.00 0.00 C ATOM 1304 O LYS A 82 9.007 -7.559 -0.397 1.00 0.00 O ATOM 1305 CB LYS A 82 10.862 -7.499 2.123 1.00 0.00 C ATOM 1306 CG LYS A 82 11.562 -8.558 2.983 1.00 0.00 C ATOM 1307 CD LYS A 82 10.795 -8.744 4.297 1.00 0.00 C ATOM 1308 CE LYS A 82 11.783 -8.939 5.450 1.00 0.00 C ATOM 1309 NZ LYS A 82 12.524 -10.218 5.259 1.00 0.00 N ATOM 0 H LYS A 82 10.789 -5.819 -0.194 1.00 0.00 H new ATOM 0 HA LYS A 82 11.974 -8.473 0.547 1.00 0.00 H new ATOM 0 HB2 LYS A 82 11.201 -6.503 2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.786 -7.531 2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.613 -9.504 2.443 1.00 0.00 H new ATOM 0 HG3 LYS A 82 12.588 -8.253 3.189 1.00 0.00 H new ATOM 0 HD2 LYS A 82 10.166 -7.875 4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 82 10.133 -9.607 4.223 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.482 -8.104 5.489 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.250 -8.954 6.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.094 -10.418 6.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.847 -10.992 5.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.149 -10.137 4.432 1.00 0.00 H new ATOM 1323 N LYS A 83 9.865 -9.605 -0.265 1.00 0.00 N ATOM 1324 CA LYS A 83 8.683 -10.240 -0.934 1.00 0.00 C ATOM 1325 C LYS A 83 7.961 -11.147 0.064 1.00 0.00 C ATOM 1326 O LYS A 83 8.592 -11.805 0.876 1.00 0.00 O ATOM 1327 CB LYS A 83 9.153 -11.073 -2.129 1.00 0.00 C ATOM 1328 CG LYS A 83 10.211 -12.077 -1.668 1.00 0.00 C ATOM 1329 CD LYS A 83 10.575 -13.003 -2.830 1.00 0.00 C ATOM 1330 CE LYS A 83 11.337 -12.219 -3.906 1.00 0.00 C ATOM 1331 NZ LYS A 83 12.707 -12.786 -4.054 1.00 0.00 N ATOM 0 H LYS A 83 10.603 -10.256 0.004 1.00 0.00 H new ATOM 0 HA LYS A 83 8.003 -9.462 -1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.308 -11.598 -2.574 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.566 -10.422 -2.900 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.098 -11.551 -1.316 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.833 -12.660 -0.829 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.187 -13.830 -2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.671 -13.438 -3.257 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.805 -12.272 -4.856 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.395 -11.166 -3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.225 -12.256 -4.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.213 -12.713 -3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.641 -13.785 -4.334 1.00 0.00 H new ATOM 1345 N SER A 84 6.644 -11.180 0.004 1.00 0.00 N ATOM 1346 CA SER A 84 5.856 -12.040 0.944 1.00 0.00 C ATOM 1347 C SER A 84 4.468 -12.314 0.368 1.00 0.00 C ATOM 1348 O SER A 84 4.156 -11.923 -0.743 1.00 0.00 O ATOM 1349 CB SER A 84 5.716 -11.328 2.290 1.00 0.00 C ATOM 1350 OG SER A 84 6.966 -10.753 2.647 1.00 0.00 O ATOM 0 H SER A 84 6.084 -10.645 -0.659 1.00 0.00 H new ATOM 0 HA SER A 84 6.378 -12.987 1.081 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.951 -10.554 2.228 1.00 0.00 H new ATOM 0 HB3 SER A 84 5.395 -12.033 3.056 1.00 0.00 H new ATOM 0 HG SER A 84 7.693 -11.330 2.333 1.00 0.00 H new ATOM 1356 N SER A 85 3.644 -12.988 1.135 1.00 0.00 N ATOM 1357 CA SER A 85 2.254 -13.321 0.692 1.00 0.00 C ATOM 1358 C SER A 85 1.326 -13.250 1.905 1.00 0.00 C ATOM 1359 O SER A 85 1.534 -13.953 2.882 1.00 0.00 O ATOM 1360 CB SER A 85 2.228 -14.736 0.112 1.00 0.00 C ATOM 1361 OG SER A 85 2.996 -14.767 -1.084 1.00 0.00 O ATOM 0 H SER A 85 3.882 -13.327 2.067 1.00 0.00 H new ATOM 0 HA SER A 85 1.926 -12.616 -0.072 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.631 -15.445 0.835 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.201 -15.039 -0.093 1.00 0.00 H new ATOM 0 HG SER A 85 2.714 -14.036 -1.673 1.00 0.00 H new ATOM 1367 N ASN A 86 0.318 -12.400 1.857 1.00 0.00 N ATOM 1368 CA ASN A 86 -0.619 -12.269 3.021 1.00 0.00 C ATOM 1369 C ASN A 86 -1.824 -11.398 2.646 1.00 0.00 C ATOM 1370 O ASN A 86 -1.852 -10.780 1.593 1.00 0.00 O ATOM 1371 CB ASN A 86 0.137 -11.621 4.184 1.00 0.00 C ATOM 1372 CG ASN A 86 -0.559 -11.948 5.506 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -0.597 -13.090 5.920 1.00 0.00 O ATOM 1374 ND2 ASN A 86 -1.117 -10.987 6.190 1.00 0.00 N ATOM 0 H ASN A 86 0.107 -11.795 1.063 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.982 -13.256 3.306 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.165 -11.981 4.206 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.181 -10.541 4.044 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.585 -11.194 7.072 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.085 -10.029 5.842 1.00 0.00 H new ATOM 1381 N ARG A 87 -2.813 -11.352 3.519 1.00 0.00 N ATOM 1382 CA ARG A 87 -4.039 -10.527 3.270 1.00 0.00 C ATOM 1383 C ARG A 87 -3.799 -9.104 3.789 1.00 0.00 C ATOM 1384 O ARG A 87 -2.717 -8.792 4.265 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.224 -11.150 4.009 1.00 0.00 C ATOM 1386 CG ARG A 87 -5.519 -12.534 3.422 1.00 0.00 C ATOM 1387 CD ARG A 87 -6.835 -13.073 3.990 1.00 0.00 C ATOM 1388 NE ARG A 87 -6.653 -14.497 4.394 1.00 0.00 N ATOM 1389 CZ ARG A 87 -7.601 -15.119 5.037 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -8.843 -14.987 4.656 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -7.309 -15.873 6.062 1.00 0.00 N ATOM 0 H ARG A 87 -2.818 -11.860 4.404 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.255 -10.495 2.202 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.000 -11.234 5.072 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.101 -10.510 3.918 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.580 -12.472 2.336 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.704 -13.219 3.657 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.145 -12.477 4.848 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.626 -12.993 3.244 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.786 -14.984 4.167 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.071 -14.397 3.856 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.585 -15.474 5.159 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.339 -15.975 6.360 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.051 -16.360 6.565 1.00 0.00 H new ATOM 1405 N ILE A 88 -4.796 -8.244 3.698 1.00 0.00 N ATOM 1406 CA ILE A 88 -4.628 -6.835 4.182 1.00 0.00 C ATOM 1407 C ILE A 88 -5.983 -6.224 4.544 1.00 0.00 C ATOM 1408 O ILE A 88 -6.974 -6.441 3.867 1.00 0.00 O ATOM 1409 CB ILE A 88 -3.976 -5.990 3.081 1.00 0.00 C ATOM 1410 CG1 ILE A 88 -4.744 -6.171 1.765 1.00 0.00 C ATOM 1411 CG2 ILE A 88 -2.527 -6.437 2.888 1.00 0.00 C ATOM 1412 CD1 ILE A 88 -4.623 -4.903 0.914 1.00 0.00 C ATOM 0 H ILE A 88 -5.714 -8.460 3.310 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.996 -6.847 5.070 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.000 -4.940 3.371 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.348 -7.026 1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.793 -6.382 1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.062 -5.837 2.106 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.978 -6.305 3.821 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.506 -7.488 2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.170 -5.037 -0.019 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.040 -4.057 1.460 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.573 -4.711 0.694 1.00 0.00 H new ATOM 1424 N CYS A 89 -6.006 -5.441 5.600 1.00 0.00 N ATOM 1425 CA CYS A 89 -7.263 -4.759 6.039 1.00 0.00 C ATOM 1426 C CYS A 89 -7.202 -3.324 5.518 1.00 0.00 C ATOM 1427 O CYS A 89 -6.420 -2.525 6.002 1.00 0.00 O ATOM 1428 CB CYS A 89 -7.338 -4.756 7.569 1.00 0.00 C ATOM 1429 SG CYS A 89 -9.066 -4.854 8.098 1.00 0.00 S ATOM 0 H CYS A 89 -5.192 -5.245 6.183 1.00 0.00 H new ATOM 0 HA CYS A 89 -8.143 -5.273 5.653 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -6.777 -5.599 7.971 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.878 -3.850 7.963 1.00 0.00 H new ATOM 0 HG CYS A 89 -9.123 -4.853 9.397 1.00 0.00 H new ATOM 1434 N ILE A 90 -7.987 -3.016 4.509 1.00 0.00 N ATOM 1435 CA ILE A 90 -7.958 -1.648 3.898 1.00 0.00 C ATOM 1436 C ILE A 90 -9.233 -0.861 4.247 1.00 0.00 C ATOM 1437 O ILE A 90 -10.300 -1.434 4.398 1.00 0.00 O ATOM 1438 CB ILE A 90 -7.830 -1.816 2.376 1.00 0.00 C ATOM 1439 CG1 ILE A 90 -7.696 -0.449 1.706 1.00 0.00 C ATOM 1440 CG2 ILE A 90 -9.058 -2.541 1.813 1.00 0.00 C ATOM 1441 CD1 ILE A 90 -6.258 0.045 1.855 1.00 0.00 C ATOM 0 H ILE A 90 -8.651 -3.660 4.080 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.113 -1.084 4.291 1.00 0.00 H new ATOM 0 HB ILE A 90 -6.939 -2.410 2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.961 -0.520 0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.386 0.261 2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.952 -2.652 0.734 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.142 -3.526 2.273 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.955 -1.961 2.032 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.157 1.020 1.379 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.011 0.131 2.913 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.579 -0.663 1.380 1.00 0.00 H new ATOM 1453 N ARG A 91 -9.121 0.454 4.348 1.00 0.00 N ATOM 1454 CA ARG A 91 -10.307 1.314 4.655 1.00 0.00 C ATOM 1455 C ARG A 91 -10.843 1.868 3.332 1.00 0.00 C ATOM 1456 O ARG A 91 -10.105 2.476 2.571 1.00 0.00 O ATOM 1457 CB ARG A 91 -9.885 2.468 5.571 1.00 0.00 C ATOM 1458 CG ARG A 91 -11.131 3.125 6.177 1.00 0.00 C ATOM 1459 CD ARG A 91 -10.926 4.640 6.261 1.00 0.00 C ATOM 1460 NE ARG A 91 -9.813 4.945 7.202 1.00 0.00 N ATOM 1461 CZ ARG A 91 -9.465 6.184 7.422 1.00 0.00 C ATOM 1462 NH1 ARG A 91 -8.865 6.869 6.486 1.00 0.00 N ATOM 1463 NH2 ARG A 91 -9.717 6.739 8.577 1.00 0.00 N ATOM 0 H ARG A 91 -8.246 0.965 4.228 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.078 0.734 5.162 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.235 2.098 6.364 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.312 3.203 5.006 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -12.006 2.900 5.567 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.322 2.718 7.170 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.700 5.041 5.273 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.843 5.123 6.599 1.00 0.00 H new ATOM 0 HE ARG A 91 -9.322 4.186 7.675 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -8.668 6.436 5.584 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.593 7.837 6.657 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -10.186 6.204 9.308 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.445 7.707 8.748 1.00 0.00 H new ATOM 1477 N CYS A 92 -12.108 1.636 3.047 1.00 0.00 N ATOM 1478 CA CYS A 92 -12.701 2.111 1.759 1.00 0.00 C ATOM 1479 C CYS A 92 -13.930 2.989 2.014 1.00 0.00 C ATOM 1480 O CYS A 92 -14.753 2.695 2.864 1.00 0.00 O ATOM 1481 CB CYS A 92 -13.116 0.893 0.927 1.00 0.00 C ATOM 1482 SG CYS A 92 -13.597 1.420 -0.737 1.00 0.00 S ATOM 0 H CYS A 92 -12.754 1.135 3.657 1.00 0.00 H new ATOM 0 HA CYS A 92 -11.957 2.704 1.226 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -12.291 0.183 0.869 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -13.947 0.378 1.409 1.00 0.00 H new ATOM 1487 N GLU A 93 -14.051 4.051 1.248 1.00 0.00 N ATOM 1488 CA GLU A 93 -15.218 4.981 1.366 1.00 0.00 C ATOM 1489 C GLU A 93 -15.487 5.570 -0.015 1.00 0.00 C ATOM 1490 O GLU A 93 -14.566 5.803 -0.773 1.00 0.00 O ATOM 1491 CB GLU A 93 -14.907 6.106 2.354 1.00 0.00 C ATOM 1492 CG GLU A 93 -13.574 6.759 1.985 1.00 0.00 C ATOM 1493 CD GLU A 93 -13.391 8.045 2.792 1.00 0.00 C ATOM 1494 OE1 GLU A 93 -12.950 7.952 3.926 1.00 0.00 O ATOM 1495 OE2 GLU A 93 -13.694 9.102 2.262 1.00 0.00 O ATOM 0 H GLU A 93 -13.374 4.315 0.532 1.00 0.00 H new ATOM 0 HA GLU A 93 -16.090 4.440 1.732 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -15.704 6.849 2.337 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -14.861 5.710 3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -12.753 6.071 2.187 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.549 6.981 0.918 1.00 0.00 H new ATOM 1502 N HIS A 94 -16.738 5.784 -0.355 1.00 0.00 N ATOM 1503 CA HIS A 94 -17.085 6.331 -1.708 1.00 0.00 C ATOM 1504 C HIS A 94 -16.542 5.372 -2.784 1.00 0.00 C ATOM 1505 O HIS A 94 -16.244 5.774 -3.897 1.00 0.00 O ATOM 1506 CB HIS A 94 -16.459 7.722 -1.876 1.00 0.00 C ATOM 1507 CG HIS A 94 -17.311 8.742 -1.173 1.00 0.00 C ATOM 1508 ND1 HIS A 94 -18.431 9.306 -1.765 1.00 0.00 N ATOM 1509 CD2 HIS A 94 -17.220 9.310 0.073 1.00 0.00 C ATOM 1510 CE1 HIS A 94 -18.963 10.172 -0.883 1.00 0.00 C ATOM 1511 NE2 HIS A 94 -18.263 10.212 0.254 1.00 0.00 N ATOM 0 H HIS A 94 -17.538 5.602 0.251 1.00 0.00 H new ATOM 0 HA HIS A 94 -18.167 6.419 -1.810 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -15.449 7.730 -1.465 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -16.375 7.970 -2.934 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -16.455 9.090 0.802 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -19.848 10.762 -1.071 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -18.453 10.782 1.078 1.00 0.00 H new ATOM 1519 N GLU A 95 -16.424 4.099 -2.441 1.00 0.00 N ATOM 1520 CA GLU A 95 -15.915 3.059 -3.397 1.00 0.00 C ATOM 1521 C GLU A 95 -14.419 3.279 -3.710 1.00 0.00 C ATOM 1522 O GLU A 95 -13.971 3.038 -4.824 1.00 0.00 O ATOM 1523 CB GLU A 95 -16.742 3.092 -4.693 1.00 0.00 C ATOM 1524 CG GLU A 95 -18.225 2.937 -4.352 1.00 0.00 C ATOM 1525 CD GLU A 95 -19.033 2.782 -5.640 1.00 0.00 C ATOM 1526 OE1 GLU A 95 -18.904 1.749 -6.277 1.00 0.00 O ATOM 1527 OE2 GLU A 95 -19.770 3.698 -5.969 1.00 0.00 O ATOM 0 H GLU A 95 -16.666 3.736 -1.519 1.00 0.00 H new ATOM 0 HA GLU A 95 -16.020 2.080 -2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -16.575 4.031 -5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -16.425 2.291 -5.360 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -18.372 2.068 -3.711 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -18.573 3.806 -3.795 1.00 0.00 H new ATOM 1534 N LEU A 96 -13.633 3.699 -2.728 1.00 0.00 N ATOM 1535 CA LEU A 96 -12.163 3.895 -2.968 1.00 0.00 C ATOM 1536 C LEU A 96 -11.361 3.694 -1.655 1.00 0.00 C ATOM 1537 O LEU A 96 -11.745 4.217 -0.624 1.00 0.00 O ATOM 1538 CB LEU A 96 -11.898 5.301 -3.541 1.00 0.00 C ATOM 1539 CG LEU A 96 -12.289 6.393 -2.530 1.00 0.00 C ATOM 1540 CD1 LEU A 96 -11.107 7.342 -2.302 1.00 0.00 C ATOM 1541 CD2 LEU A 96 -13.478 7.193 -3.068 1.00 0.00 C ATOM 0 H LEU A 96 -13.949 3.911 -1.782 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.832 3.150 -3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.843 5.400 -3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.465 5.434 -4.463 1.00 0.00 H new ATOM 0 HG LEU A 96 -12.562 5.919 -1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -11.392 8.112 -1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.259 6.779 -1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.829 7.810 -3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -13.752 7.965 -2.349 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -13.205 7.659 -4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.325 6.525 -3.224 1.00 0.00 H new ATOM 1553 N PRO A 97 -10.255 2.946 -1.722 1.00 0.00 N ATOM 1554 CA PRO A 97 -9.393 2.701 -0.547 1.00 0.00 C ATOM 1555 C PRO A 97 -8.481 3.910 -0.339 1.00 0.00 C ATOM 1556 O PRO A 97 -7.628 4.198 -1.164 1.00 0.00 O ATOM 1557 CB PRO A 97 -8.585 1.463 -0.935 1.00 0.00 C ATOM 1558 CG PRO A 97 -8.594 1.402 -2.480 1.00 0.00 C ATOM 1559 CD PRO A 97 -9.767 2.274 -2.952 1.00 0.00 C ATOM 0 HA PRO A 97 -9.944 2.552 0.381 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -7.566 1.530 -0.555 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -9.026 0.562 -0.508 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -7.652 1.769 -2.887 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.712 0.375 -2.826 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -9.445 3.000 -3.699 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.550 1.670 -3.411 1.00 0.00 H new ATOM 1567 N VAL A 98 -8.681 4.626 0.743 1.00 0.00 N ATOM 1568 CA VAL A 98 -7.863 5.848 1.019 1.00 0.00 C ATOM 1569 C VAL A 98 -6.735 5.539 2.009 1.00 0.00 C ATOM 1570 O VAL A 98 -5.742 6.250 2.051 1.00 0.00 O ATOM 1571 CB VAL A 98 -8.778 6.931 1.595 1.00 0.00 C ATOM 1572 CG1 VAL A 98 -9.880 7.237 0.583 1.00 0.00 C ATOM 1573 CG2 VAL A 98 -9.430 6.435 2.889 1.00 0.00 C ATOM 0 H VAL A 98 -9.383 4.413 1.452 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.410 6.193 0.089 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.188 7.824 1.803 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -10.538 8.008 0.984 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -9.433 7.589 -0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.457 6.333 0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.079 7.213 3.291 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.020 5.542 2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.656 6.196 3.618 1.00 0.00 H new ATOM 1583 N HIS A 99 -6.886 4.501 2.806 1.00 0.00 N ATOM 1584 CA HIS A 99 -5.825 4.155 3.807 1.00 0.00 C ATOM 1585 C HIS A 99 -5.892 2.671 4.167 1.00 0.00 C ATOM 1586 O HIS A 99 -6.816 1.973 3.785 1.00 0.00 O ATOM 1587 CB HIS A 99 -6.030 4.994 5.070 1.00 0.00 C ATOM 1588 CG HIS A 99 -5.246 6.271 4.950 1.00 0.00 C ATOM 1589 ND1 HIS A 99 -5.710 7.477 5.452 1.00 0.00 N ATOM 1590 CD2 HIS A 99 -4.027 6.547 4.379 1.00 0.00 C ATOM 1591 CE1 HIS A 99 -4.784 8.414 5.175 1.00 0.00 C ATOM 1592 NE2 HIS A 99 -3.739 7.900 4.522 1.00 0.00 N ATOM 0 H HIS A 99 -7.697 3.882 2.805 1.00 0.00 H new ATOM 0 HA HIS A 99 -4.848 4.367 3.373 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -7.089 5.215 5.206 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -5.706 4.436 5.948 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -3.389 5.823 3.893 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -4.875 9.455 5.448 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -2.908 8.394 4.198 1.00 0.00 H new ATOM 1600 N PHE A 100 -4.908 2.204 4.904 1.00 0.00 N ATOM 1601 CA PHE A 100 -4.861 0.771 5.325 1.00 0.00 C ATOM 1602 C PHE A 100 -5.033 0.683 6.841 1.00 0.00 C ATOM 1603 O PHE A 100 -4.401 1.415 7.585 1.00 0.00 O ATOM 1604 CB PHE A 100 -3.510 0.165 4.926 1.00 0.00 C ATOM 1605 CG PHE A 100 -2.388 1.010 5.488 1.00 0.00 C ATOM 1606 CD1 PHE A 100 -1.879 0.741 6.765 1.00 0.00 C ATOM 1607 CD2 PHE A 100 -1.860 2.064 4.732 1.00 0.00 C ATOM 1608 CE1 PHE A 100 -0.843 1.527 7.285 1.00 0.00 C ATOM 1609 CE2 PHE A 100 -0.824 2.849 5.253 1.00 0.00 C ATOM 1610 CZ PHE A 100 -0.316 2.581 6.530 1.00 0.00 C ATOM 0 H PHE A 100 -4.125 2.768 5.235 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.664 0.220 4.835 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -3.433 -0.856 5.301 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.430 0.112 3.840 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -2.285 -0.072 7.348 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -2.252 2.271 3.747 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -0.450 1.320 8.270 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.417 3.661 4.670 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.482 3.187 6.932 1.00 0.00 H new ATOM 1620 N ALA A 101 -5.883 -0.211 7.294 1.00 0.00 N ATOM 1621 CA ALA A 101 -6.120 -0.379 8.760 1.00 0.00 C ATOM 1622 C ALA A 101 -4.963 -1.173 9.367 1.00 0.00 C ATOM 1623 O ALA A 101 -4.416 -0.798 10.389 1.00 0.00 O ATOM 1624 CB ALA A 101 -7.426 -1.143 8.982 1.00 0.00 C ATOM 0 H ALA A 101 -6.427 -0.837 6.701 1.00 0.00 H new ATOM 0 HA ALA A 101 -6.186 0.600 9.234 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.599 -1.265 10.051 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.253 -0.585 8.542 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.359 -2.124 8.511 1.00 0.00 H new ATOM 1630 N GLY A 102 -4.599 -2.269 8.734 1.00 0.00 N ATOM 1631 CA GLY A 102 -3.479 -3.118 9.246 1.00 0.00 C ATOM 1632 C GLY A 102 -3.181 -4.236 8.245 1.00 0.00 C ATOM 1633 O GLY A 102 -3.500 -4.126 7.073 1.00 0.00 O ATOM 0 H GLY A 102 -5.036 -2.610 7.878 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.589 -2.508 9.401 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.745 -3.544 10.213 1.00 0.00 H new ATOM 1637 N VAL A 103 -2.563 -5.302 8.708 1.00 0.00 N ATOM 1638 CA VAL A 103 -2.215 -6.448 7.813 1.00 0.00 C ATOM 1639 C VAL A 103 -2.850 -7.736 8.353 1.00 0.00 C ATOM 1640 O VAL A 103 -3.152 -7.838 9.530 1.00 0.00 O ATOM 1641 CB VAL A 103 -0.688 -6.589 7.761 1.00 0.00 C ATOM 1642 CG1 VAL A 103 -0.139 -6.839 9.168 1.00 0.00 C ATOM 1643 CG2 VAL A 103 -0.301 -7.756 6.844 1.00 0.00 C ATOM 0 H VAL A 103 -2.283 -5.424 9.681 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.597 -6.267 6.808 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.262 -5.666 7.367 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.946 -6.938 9.123 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.400 -6.001 9.815 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.571 -7.756 9.569 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.785 -7.849 6.812 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -0.734 -8.680 7.228 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.678 -7.569 5.839 1.00 0.00 H new ATOM 1653 N GLY A 104 -3.044 -8.711 7.488 1.00 0.00 N ATOM 1654 CA GLY A 104 -3.654 -10.011 7.910 1.00 0.00 C ATOM 1655 C GLY A 104 -5.092 -9.775 8.372 1.00 0.00 C ATOM 1656 O GLY A 104 -6.027 -9.906 7.598 1.00 0.00 O ATOM 0 H GLY A 104 -2.802 -8.656 6.499 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.639 -10.718 7.080 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -3.070 -10.454 8.717 1.00 0.00 H new ATOM 1660 N ILE A 105 -5.264 -9.425 9.629 1.00 0.00 N ATOM 1661 CA ILE A 105 -6.631 -9.168 10.183 1.00 0.00 C ATOM 1662 C ILE A 105 -6.665 -7.769 10.812 1.00 0.00 C ATOM 1663 O ILE A 105 -5.639 -7.240 11.209 1.00 0.00 O ATOM 1664 CB ILE A 105 -6.962 -10.239 11.237 1.00 0.00 C ATOM 1665 CG1 ILE A 105 -8.358 -9.984 11.823 1.00 0.00 C ATOM 1666 CG2 ILE A 105 -5.922 -10.210 12.361 1.00 0.00 C ATOM 1667 CD1 ILE A 105 -8.958 -11.298 12.337 1.00 0.00 C ATOM 0 H ILE A 105 -4.505 -9.306 10.300 1.00 0.00 H new ATOM 0 HA ILE A 105 -7.373 -9.216 9.386 1.00 0.00 H new ATOM 0 HB ILE A 105 -6.945 -11.218 10.759 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -8.294 -9.261 12.636 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -9.007 -9.551 11.062 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -6.165 -10.972 13.102 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -4.933 -10.409 11.947 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -5.926 -9.229 12.835 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -9.948 -11.108 12.751 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -9.039 -12.008 11.514 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -8.314 -11.713 13.112 1.00 0.00 H new