USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 611 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 8 CYS SG : rot 8:sc= -0.0101 USER MOD Set 1.2: A 36 SER OG : rot -73:sc= 0.286 USER MOD Single : A 5 THR OG1 : rot 18:sc= 0.457 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 18 GLN : amide:sc= -1.7 X(o=-1.7,f=-2.1) USER MOD Single : A 21 GLN : amide:sc= -5.46! C(o=-5.5!,f=-8.3!) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.0631 USER MOD Single : A 29 LYS NZ :NH3+ -149:sc= 0.229 (180deg=0.00936) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.24 K(o=-2.2,f=-7!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.759 K(o=-0.76,f=-3!) USER MOD Single : A 44 GLN : amide:sc= -0.684 X(o=-0.68,f=-0.25) USER MOD Single : A 45 HIS : no HD1:sc= -0.0511 X(o=-0.051,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -3.3! C(o=-3.3!,f=-7.4!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 147:sc= -0.322 (180deg=-1.54!) USER MOD Single : A 52 ASN : amide:sc= -0.175 K(o=-0.17,f=-1.2!) USER MOD Single : A 54 LYS NZ :NH3+ -110:sc= 0.0344 (180deg=-0.797) USER MOD Single : A 55 LYS NZ :NH3+ -148:sc= -0.213 (180deg=-0.954) USER MOD Single : A 57 ASN : amide:sc= -0.0404 K(o=-0.04,f=-1.9!) USER MOD Single : A 58 MET CE :methyl -162:sc= -12.7! (180deg=-13!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.319 K(o=-0.32,f=-1.2) USER MOD Single : A 63 HIS : no HD1:sc= -2.45 K(o=-2.4,f=-9!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0302 X(o=-0.03,f=0) USER MOD Single : A 71 MET CE :methyl 178:sc= -14.5! (180deg=-14.9!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 5 -9.456 -18.878 41.213 1.00 61.43 N ATOM 63 CA THR A 5 -9.709 -18.981 39.781 1.00 75.42 C ATOM 64 C THR A 5 -11.116 -18.497 39.446 1.00 53.15 C ATOM 65 O THR A 5 -12.106 -19.082 39.885 1.00 32.22 O ATOM 66 CB THR A 5 -9.532 -20.428 39.318 1.00 2.14 C ATOM 67 OG1 THR A 5 -8.472 -21.054 40.020 1.00 3.05 O ATOM 68 CG2 THR A 5 -9.238 -20.551 37.838 1.00 34.41 C ATOM 0 HA THR A 5 -8.991 -18.348 39.259 1.00 75.42 H new ATOM 0 HB THR A 5 -10.485 -20.916 39.525 1.00 2.14 H new ATOM 0 HG1 THR A 5 -8.264 -20.538 40.827 1.00 3.05 H new ATOM 0 HG21 THR A 5 -9.124 -21.603 37.576 1.00 34.41 H new ATOM 0 HG22 THR A 5 -10.061 -20.122 37.267 1.00 34.41 H new ATOM 0 HG23 THR A 5 -8.317 -20.017 37.604 1.00 34.41 H new ATOM 76 N ILE A 6 -11.198 -17.423 38.668 1.00 1.53 N ATOM 77 CA ILE A 6 -12.484 -16.862 38.280 1.00 33.41 C ATOM 78 C ILE A 6 -13.111 -17.648 37.134 1.00 11.10 C ATOM 79 O ILE A 6 -12.572 -18.664 36.692 1.00 72.21 O ATOM 80 CB ILE A 6 -12.351 -15.381 37.857 1.00 12.34 C ATOM 81 CG1 ILE A 6 -11.596 -15.256 36.527 1.00 14.45 C ATOM 82 CG2 ILE A 6 -11.653 -14.577 38.947 1.00 42.42 C ATOM 83 CD1 ILE A 6 -11.718 -13.892 35.886 1.00 23.21 C ATOM 0 H ILE A 6 -10.390 -16.925 38.295 1.00 1.53 H new ATOM 0 HA ILE A 6 -13.129 -16.928 39.156 1.00 33.41 H new ATOM 0 HB ILE A 6 -13.353 -14.976 37.715 1.00 12.34 H new ATOM 0 HG12 ILE A 6 -10.542 -15.476 36.696 1.00 14.45 H new ATOM 0 HG13 ILE A 6 -11.972 -16.009 35.834 1.00 14.45 H new ATOM 0 HG21 ILE A 6 -11.567 -13.537 38.633 1.00 42.42 H new ATOM 0 HG22 ILE A 6 -12.234 -14.632 39.868 1.00 42.42 H new ATOM 0 HG23 ILE A 6 -10.658 -14.987 39.121 1.00 42.42 H new ATOM 0 HD11 ILE A 6 -11.159 -13.878 34.950 1.00 23.21 H new ATOM 0 HD12 ILE A 6 -12.768 -13.677 35.685 1.00 23.21 H new ATOM 0 HD13 ILE A 6 -11.315 -13.136 36.560 1.00 23.21 H new ATOM 95 N PHE A 7 -14.244 -17.159 36.649 1.00 13.34 N ATOM 96 CA PHE A 7 -14.946 -17.794 35.543 1.00 50.22 C ATOM 97 C PHE A 7 -15.144 -16.791 34.411 1.00 42.14 C ATOM 98 O PHE A 7 -16.042 -15.951 34.468 1.00 72.41 O ATOM 99 CB PHE A 7 -16.299 -18.336 36.008 1.00 50.24 C ATOM 100 CG PHE A 7 -16.820 -19.458 35.158 1.00 70.43 C ATOM 101 CD1 PHE A 7 -16.221 -20.709 35.194 1.00 13.11 C ATOM 102 CD2 PHE A 7 -17.908 -19.265 34.322 1.00 40.51 C ATOM 103 CE1 PHE A 7 -16.697 -21.743 34.411 1.00 14.44 C ATOM 104 CE2 PHE A 7 -18.390 -20.296 33.538 1.00 31.12 C ATOM 105 CZ PHE A 7 -17.784 -21.537 33.581 1.00 21.53 C ATOM 0 H PHE A 7 -14.699 -16.319 37.007 1.00 13.34 H new ATOM 0 HA PHE A 7 -14.346 -18.628 35.180 1.00 50.22 H new ATOM 0 HB2 PHE A 7 -16.208 -18.683 37.037 1.00 50.24 H new ATOM 0 HB3 PHE A 7 -17.026 -17.524 36.009 1.00 50.24 H new ATOM 0 HD1 PHE A 7 -15.373 -20.876 35.841 1.00 13.11 H new ATOM 0 HD2 PHE A 7 -18.385 -18.297 34.283 1.00 40.51 H new ATOM 0 HE1 PHE A 7 -16.221 -22.712 34.447 1.00 14.44 H new ATOM 0 HE2 PHE A 7 -19.240 -20.132 32.892 1.00 31.12 H new ATOM 0 HZ PHE A 7 -18.158 -22.344 32.968 1.00 21.53 H new ATOM 115 N CYS A 8 -14.298 -16.875 33.390 1.00 31.32 N ATOM 116 CA CYS A 8 -14.384 -15.961 32.258 1.00 54.41 C ATOM 117 C CYS A 8 -15.748 -16.063 31.579 1.00 65.22 C ATOM 118 O CYS A 8 -16.347 -17.137 31.528 1.00 34.32 O ATOM 119 CB CYS A 8 -13.273 -16.258 31.249 1.00 24.25 C ATOM 120 SG CYS A 8 -13.110 -15.015 29.947 1.00 51.15 S ATOM 0 H CYS A 8 -13.548 -17.563 33.323 1.00 31.32 H new ATOM 0 HA CYS A 8 -14.260 -14.945 32.633 1.00 54.41 H new ATOM 0 HB2 CYS A 8 -12.325 -16.338 31.781 1.00 24.25 H new ATOM 0 HB3 CYS A 8 -13.464 -17.228 30.789 1.00 24.25 H new ATOM 0 HG CYS A 8 -13.878 -14.001 30.216 1.00 51.15 H new ATOM 126 N THR A 9 -16.235 -14.939 31.062 1.00 52.25 N ATOM 127 CA THR A 9 -17.531 -14.908 30.391 1.00 12.21 C ATOM 128 C THR A 9 -17.370 -15.014 28.876 1.00 43.22 C ATOM 129 O THR A 9 -18.264 -15.498 28.182 1.00 73.23 O ATOM 130 CB THR A 9 -18.289 -13.630 30.759 1.00 25.02 C ATOM 131 OG1 THR A 9 -19.630 -13.695 30.308 1.00 2.15 O ATOM 132 CG2 THR A 9 -17.672 -12.376 30.187 1.00 1.45 C ATOM 0 H THR A 9 -15.754 -14.040 31.094 1.00 52.25 H new ATOM 0 HA THR A 9 -18.107 -15.769 30.729 1.00 12.21 H new ATOM 0 HB THR A 9 -18.239 -13.572 31.846 1.00 25.02 H new ATOM 0 HG1 THR A 9 -20.098 -12.870 30.554 1.00 2.15 H new ATOM 0 HG21 THR A 9 -18.262 -11.510 30.488 1.00 1.45 H new ATOM 0 HG22 THR A 9 -16.653 -12.269 30.560 1.00 1.45 H new ATOM 0 HG23 THR A 9 -17.655 -12.442 29.099 1.00 1.45 H new ATOM 140 N PHE A 10 -16.223 -14.568 28.368 1.00 65.32 N ATOM 141 CA PHE A 10 -15.952 -14.628 26.937 1.00 62.40 C ATOM 142 C PHE A 10 -15.639 -16.060 26.523 1.00 73.04 C ATOM 143 O PHE A 10 -16.077 -16.528 25.473 1.00 1.33 O ATOM 144 CB PHE A 10 -14.779 -13.711 26.575 1.00 25.33 C ATOM 145 CG PHE A 10 -14.362 -13.801 25.134 1.00 64.10 C ATOM 146 CD1 PHE A 10 -15.243 -13.465 24.120 1.00 61.21 C ATOM 147 CD2 PHE A 10 -13.086 -14.221 24.795 1.00 62.10 C ATOM 148 CE1 PHE A 10 -14.860 -13.545 22.794 1.00 51.44 C ATOM 149 CE2 PHE A 10 -12.696 -14.303 23.472 1.00 3.30 C ATOM 150 CZ PHE A 10 -13.585 -13.964 22.470 1.00 24.22 C ATOM 0 H PHE A 10 -15.470 -14.163 28.925 1.00 65.32 H new ATOM 0 HA PHE A 10 -16.839 -14.289 26.402 1.00 62.40 H new ATOM 0 HB2 PHE A 10 -15.052 -12.680 26.801 1.00 25.33 H new ATOM 0 HB3 PHE A 10 -13.926 -13.960 27.207 1.00 25.33 H new ATOM 0 HD1 PHE A 10 -16.241 -13.136 24.368 1.00 61.21 H new ATOM 0 HD2 PHE A 10 -12.388 -14.488 25.574 1.00 62.10 H new ATOM 0 HE1 PHE A 10 -15.557 -13.280 22.013 1.00 51.44 H new ATOM 0 HE2 PHE A 10 -11.698 -14.631 23.222 1.00 3.30 H new ATOM 0 HZ PHE A 10 -13.283 -14.027 21.435 1.00 24.22 H new ATOM 160 N LEU A 11 -14.884 -16.750 27.369 1.00 73.11 N ATOM 161 CA LEU A 11 -14.511 -18.134 27.117 1.00 31.00 C ATOM 162 C LEU A 11 -15.448 -19.090 27.846 1.00 73.10 C ATOM 163 O LEU A 11 -15.461 -20.291 27.574 1.00 62.15 O ATOM 164 CB LEU A 11 -13.065 -18.378 27.554 1.00 1.01 C ATOM 165 CG LEU A 11 -12.090 -17.243 27.232 1.00 4.35 C ATOM 166 CD1 LEU A 11 -10.893 -17.282 28.174 1.00 41.20 C ATOM 167 CD2 LEU A 11 -11.636 -17.327 25.780 1.00 2.01 C ATOM 0 H LEU A 11 -14.516 -16.369 28.241 1.00 73.11 H new ATOM 0 HA LEU A 11 -14.596 -18.322 26.047 1.00 31.00 H new ATOM 0 HB2 LEU A 11 -13.051 -18.554 28.630 1.00 1.01 H new ATOM 0 HB3 LEU A 11 -12.707 -19.290 27.077 1.00 1.01 H new ATOM 0 HG LEU A 11 -12.606 -16.293 27.376 1.00 4.35 H new ATOM 0 HD11 LEU A 11 -10.211 -16.468 27.930 1.00 41.20 H new ATOM 0 HD12 LEU A 11 -11.236 -17.172 29.203 1.00 41.20 H new ATOM 0 HD13 LEU A 11 -10.375 -18.235 28.064 1.00 41.20 H new ATOM 0 HD21 LEU A 11 -10.943 -16.513 25.568 1.00 2.01 H new ATOM 0 HD22 LEU A 11 -11.138 -18.281 25.609 1.00 2.01 H new ATOM 0 HD23 LEU A 11 -12.502 -17.247 25.123 1.00 2.01 H new ATOM 179 N GLN A 12 -16.234 -18.550 28.775 1.00 23.53 N ATOM 180 CA GLN A 12 -17.174 -19.354 29.542 1.00 23.44 C ATOM 181 C GLN A 12 -16.458 -20.513 30.226 1.00 25.43 C ATOM 182 O GLN A 12 -16.953 -21.641 30.241 1.00 51.41 O ATOM 183 CB GLN A 12 -18.286 -19.886 28.636 1.00 53.11 C ATOM 184 CG GLN A 12 -19.362 -18.855 28.326 1.00 64.42 C ATOM 185 CD GLN A 12 -20.367 -18.703 29.452 1.00 42.33 C ATOM 186 OE1 GLN A 12 -20.087 -17.789 30.373 1.00 24.32 O flip ATOM 187 NE2 GLN A 12 -21.382 -19.397 29.492 1.00 71.40 N flip ATOM 0 H GLN A 12 -16.236 -17.558 29.013 1.00 23.53 H new ATOM 0 HA GLN A 12 -17.618 -18.719 30.308 1.00 23.44 H new ATOM 0 HB2 GLN A 12 -17.847 -20.234 27.701 1.00 53.11 H new ATOM 0 HB3 GLN A 12 -18.749 -20.751 29.112 1.00 53.11 H new ATOM 0 HG2 GLN A 12 -18.891 -17.891 28.132 1.00 64.42 H new ATOM 0 HG3 GLN A 12 -19.885 -19.144 27.414 1.00 64.42 H new ATOM 0 HE21 GLN A 12 -21.557 -20.088 28.762 1.00 71.40 H new ATOM 0 HE22 GLN A 12 -22.049 -19.282 30.255 1.00 71.40 H new ATOM 196 N ARG A 13 -15.296 -20.226 30.805 1.00 31.42 N ATOM 197 CA ARG A 13 -14.516 -21.239 31.507 1.00 30.23 C ATOM 198 C ARG A 13 -13.940 -20.662 32.797 1.00 63.10 C ATOM 199 O ARG A 13 -14.312 -19.566 33.216 1.00 64.23 O ATOM 200 CB ARG A 13 -13.375 -21.764 30.629 1.00 73.20 C ATOM 201 CG ARG A 13 -13.657 -21.699 29.137 1.00 72.11 C ATOM 202 CD ARG A 13 -12.593 -22.438 28.339 1.00 24.42 C ATOM 203 NE ARG A 13 -12.056 -21.617 27.255 1.00 51.31 N ATOM 204 CZ ARG A 13 -10.758 -21.513 26.965 1.00 21.21 C ATOM 205 NH1 ARG A 13 -9.854 -22.208 27.645 1.00 22.03 N ATOM 206 NH2 ARG A 13 -10.365 -20.717 25.981 1.00 63.21 N ATOM 0 H ARG A 13 -14.873 -19.298 30.802 1.00 31.42 H new ATOM 0 HA ARG A 13 -15.183 -22.068 31.744 1.00 30.23 H new ATOM 0 HB2 ARG A 13 -12.473 -21.190 30.842 1.00 73.20 H new ATOM 0 HB3 ARG A 13 -13.167 -22.798 30.903 1.00 73.20 H new ATOM 0 HG2 ARG A 13 -14.636 -22.133 28.931 1.00 72.11 H new ATOM 0 HG3 ARG A 13 -13.696 -20.658 28.817 1.00 72.11 H new ATOM 0 HD2 ARG A 13 -11.783 -22.737 29.004 1.00 24.42 H new ATOM 0 HD3 ARG A 13 -13.019 -23.352 27.925 1.00 24.42 H new ATOM 0 HE ARG A 13 -12.716 -21.090 26.684 1.00 51.31 H new ATOM 0 HH11 ARG A 13 -10.149 -22.829 28.398 1.00 22.03 H new ATOM 0 HH12 ARG A 13 -8.864 -22.120 27.414 1.00 22.03 H new ATOM 0 HH21 ARG A 13 -11.054 -20.186 25.448 1.00 63.21 H new ATOM 0 HH22 ARG A 13 -9.373 -20.635 25.757 1.00 63.21 H new ATOM 220 N GLU A 14 -13.030 -21.403 33.419 1.00 1.13 N ATOM 221 CA GLU A 14 -12.404 -20.958 34.658 1.00 34.13 C ATOM 222 C GLU A 14 -10.955 -20.544 34.419 1.00 14.15 C ATOM 223 O GLU A 14 -10.129 -21.354 33.995 1.00 14.24 O ATOM 224 CB GLU A 14 -12.466 -22.061 35.717 1.00 13.12 C ATOM 225 CG GLU A 14 -12.822 -21.549 37.103 1.00 33.02 C ATOM 226 CD GLU A 14 -13.395 -22.633 37.996 1.00 62.23 C ATOM 227 OE1 GLU A 14 -13.233 -23.826 37.664 1.00 33.53 O ATOM 228 OE2 GLU A 14 -14.006 -22.289 39.030 1.00 65.42 O ATOM 0 H GLU A 14 -12.710 -22.313 33.086 1.00 1.13 H new ATOM 0 HA GLU A 14 -12.956 -20.090 35.020 1.00 34.13 H new ATOM 0 HB2 GLU A 14 -13.202 -22.805 35.413 1.00 13.12 H new ATOM 0 HB3 GLU A 14 -11.501 -22.566 35.761 1.00 13.12 H new ATOM 0 HG2 GLU A 14 -11.931 -21.131 37.572 1.00 33.02 H new ATOM 0 HG3 GLU A 14 -13.545 -20.738 37.012 1.00 33.02 H new ATOM 235 N ALA A 15 -10.653 -19.278 34.695 1.00 12.03 N ATOM 236 CA ALA A 15 -9.303 -18.756 34.509 1.00 21.22 C ATOM 237 C ALA A 15 -8.782 -18.112 35.790 1.00 54.41 C ATOM 238 O ALA A 15 -9.541 -17.874 36.729 1.00 2.04 O ATOM 239 CB ALA A 15 -9.278 -17.755 33.364 1.00 50.14 C ATOM 0 H ALA A 15 -11.324 -18.596 35.048 1.00 12.03 H new ATOM 0 HA ALA A 15 -8.648 -19.591 34.261 1.00 21.22 H new ATOM 0 HB1 ALA A 15 -8.265 -17.374 33.236 1.00 50.14 H new ATOM 0 HB2 ALA A 15 -9.600 -18.245 32.445 1.00 50.14 H new ATOM 0 HB3 ALA A 15 -9.951 -16.928 33.589 1.00 50.14 H new ATOM 245 N GLU A 16 -7.484 -17.835 35.820 1.00 3.04 N ATOM 246 CA GLU A 16 -6.859 -17.220 36.985 1.00 72.43 C ATOM 247 C GLU A 16 -7.219 -15.738 37.097 1.00 31.24 C ATOM 248 O GLU A 16 -6.946 -15.102 38.115 1.00 54.24 O ATOM 249 CB GLU A 16 -5.339 -17.383 36.919 1.00 40.45 C ATOM 250 CG GLU A 16 -4.719 -16.806 35.656 1.00 2.55 C ATOM 251 CD GLU A 16 -4.317 -17.877 34.662 1.00 45.03 C ATOM 252 OE1 GLU A 16 -3.590 -18.813 35.056 1.00 45.02 O ATOM 253 OE2 GLU A 16 -4.730 -17.780 33.486 1.00 44.31 O ATOM 0 H GLU A 16 -6.843 -18.027 35.050 1.00 3.04 H new ATOM 0 HA GLU A 16 -7.239 -17.728 37.871 1.00 72.43 H new ATOM 0 HB2 GLU A 16 -4.892 -16.899 37.787 1.00 40.45 H new ATOM 0 HB3 GLU A 16 -5.093 -18.443 36.983 1.00 40.45 H new ATOM 0 HG2 GLU A 16 -5.429 -16.127 35.185 1.00 2.55 H new ATOM 0 HG3 GLU A 16 -3.842 -16.216 35.923 1.00 2.55 H new ATOM 260 N GLY A 17 -7.830 -15.192 36.049 1.00 52.13 N ATOM 261 CA GLY A 17 -8.210 -13.791 36.062 1.00 51.12 C ATOM 262 C GLY A 17 -7.013 -12.864 36.159 1.00 22.35 C ATOM 263 O GLY A 17 -5.867 -13.313 36.111 1.00 53.22 O ATOM 0 H GLY A 17 -8.068 -15.694 35.193 1.00 52.13 H new ATOM 0 HA2 GLY A 17 -8.770 -13.562 35.156 1.00 51.12 H new ATOM 0 HA3 GLY A 17 -8.877 -13.607 36.904 1.00 51.12 H new ATOM 267 N GLN A 18 -7.279 -11.568 36.299 1.00 21.14 N ATOM 268 CA GLN A 18 -6.216 -10.575 36.404 1.00 54.11 C ATOM 269 C GLN A 18 -5.926 -10.237 37.865 1.00 43.52 C ATOM 270 O GLN A 18 -6.581 -10.750 38.771 1.00 15.54 O ATOM 271 CB GLN A 18 -6.596 -9.307 35.638 1.00 11.52 C ATOM 272 CG GLN A 18 -6.837 -9.541 34.156 1.00 53.05 C ATOM 273 CD GLN A 18 -7.667 -8.445 33.518 1.00 62.42 C ATOM 274 OE1 GLN A 18 -7.397 -7.258 33.702 1.00 1.12 O ATOM 275 NE2 GLN A 18 -8.687 -8.838 32.763 1.00 14.32 N ATOM 0 H GLN A 18 -8.222 -11.182 36.342 1.00 21.14 H new ATOM 0 HA GLN A 18 -5.313 -10.999 35.964 1.00 54.11 H new ATOM 0 HB2 GLN A 18 -7.496 -8.881 36.081 1.00 11.52 H new ATOM 0 HB3 GLN A 18 -5.802 -8.569 35.757 1.00 11.52 H new ATOM 0 HG2 GLN A 18 -5.878 -9.610 33.643 1.00 53.05 H new ATOM 0 HG3 GLN A 18 -7.341 -10.498 34.021 1.00 53.05 H new ATOM 0 HE21 GLN A 18 -8.875 -9.833 32.637 1.00 14.32 H new ATOM 0 HE22 GLN A 18 -9.282 -8.145 32.309 1.00 14.32 H new ATOM 284 N ASP A 19 -4.935 -9.377 38.086 1.00 30.30 N ATOM 285 CA ASP A 19 -4.555 -8.979 39.438 1.00 31.15 C ATOM 286 C ASP A 19 -4.777 -7.486 39.666 1.00 54.34 C ATOM 287 O ASP A 19 -4.935 -7.041 40.803 1.00 62.12 O ATOM 288 CB ASP A 19 -3.091 -9.332 39.701 1.00 61.25 C ATOM 289 CG ASP A 19 -2.940 -10.618 40.487 1.00 4.21 C ATOM 290 OD1 ASP A 19 -3.390 -10.657 41.651 1.00 63.02 O ATOM 291 OD2 ASP A 19 -2.375 -11.587 39.937 1.00 32.45 O ATOM 0 H ASP A 19 -4.382 -8.943 37.347 1.00 30.30 H new ATOM 0 HA ASP A 19 -5.191 -9.526 40.135 1.00 31.15 H new ATOM 0 HB2 ASP A 19 -2.566 -9.427 38.750 1.00 61.25 H new ATOM 0 HB3 ASP A 19 -2.616 -8.517 40.248 1.00 61.25 H new ATOM 296 N PHE A 20 -4.787 -6.713 38.583 1.00 75.50 N ATOM 297 CA PHE A 20 -4.988 -5.271 38.678 1.00 61.11 C ATOM 298 C PHE A 20 -5.851 -4.765 37.528 1.00 11.10 C ATOM 299 O PHE A 20 -5.692 -5.191 36.387 1.00 10.14 O ATOM 300 CB PHE A 20 -3.643 -4.544 38.670 1.00 42.10 C ATOM 301 CG PHE A 20 -2.685 -5.071 37.639 1.00 20.33 C ATOM 302 CD1 PHE A 20 -2.008 -6.259 37.850 1.00 62.20 C ATOM 303 CD2 PHE A 20 -2.463 -4.376 36.460 1.00 53.11 C ATOM 304 CE1 PHE A 20 -1.126 -6.749 36.906 1.00 64.11 C ATOM 305 CE2 PHE A 20 -1.584 -4.860 35.511 1.00 13.12 C ATOM 306 CZ PHE A 20 -0.914 -6.047 35.733 1.00 51.01 C ATOM 0 H PHE A 20 -4.659 -7.060 37.633 1.00 75.50 H new ATOM 0 HA PHE A 20 -5.502 -5.065 39.617 1.00 61.11 H new ATOM 0 HB2 PHE A 20 -3.813 -3.483 38.488 1.00 42.10 H new ATOM 0 HB3 PHE A 20 -3.187 -4.629 39.656 1.00 42.10 H new ATOM 0 HD1 PHE A 20 -2.171 -6.810 38.764 1.00 62.20 H new ATOM 0 HD2 PHE A 20 -2.983 -3.446 36.282 1.00 53.11 H new ATOM 0 HE1 PHE A 20 -0.604 -7.677 37.083 1.00 64.11 H new ATOM 0 HE2 PHE A 20 -1.421 -4.310 34.596 1.00 13.12 H new ATOM 0 HZ PHE A 20 -0.226 -6.427 34.992 1.00 51.01 H new ATOM 316 N GLN A 21 -6.772 -3.859 37.839 1.00 15.34 N ATOM 317 CA GLN A 21 -7.664 -3.299 36.830 1.00 22.42 C ATOM 318 C GLN A 21 -6.898 -2.434 35.834 1.00 75.54 C ATOM 319 O GLN A 21 -6.263 -1.448 36.209 1.00 3.30 O ATOM 320 CB GLN A 21 -8.759 -2.468 37.501 1.00 41.11 C ATOM 321 CG GLN A 21 -10.033 -2.365 36.680 1.00 63.45 C ATOM 322 CD GLN A 21 -11.226 -1.941 37.513 1.00 14.32 C ATOM 323 OE1 GLN A 21 -11.815 -2.748 38.233 1.00 21.41 O ATOM 324 NE2 GLN A 21 -11.584 -0.668 37.422 1.00 51.02 N ATOM 0 H GLN A 21 -6.920 -3.497 38.781 1.00 15.34 H new ATOM 0 HA GLN A 21 -8.118 -4.127 36.286 1.00 22.42 H new ATOM 0 HB2 GLN A 21 -8.995 -2.908 38.470 1.00 41.11 H new ATOM 0 HB3 GLN A 21 -8.377 -1.465 37.691 1.00 41.11 H new ATOM 0 HG2 GLN A 21 -9.884 -1.648 35.872 1.00 63.45 H new ATOM 0 HG3 GLN A 21 -10.242 -3.329 36.216 1.00 63.45 H new ATOM 0 HE21 GLN A 21 -11.066 -0.035 36.812 1.00 51.02 H new ATOM 0 HE22 GLN A 21 -12.377 -0.321 37.962 1.00 51.02 H new ATOM 333 N LEU A 22 -6.968 -2.807 34.557 1.00 10.45 N ATOM 334 CA LEU A 22 -6.290 -2.064 33.500 1.00 4.02 C ATOM 335 C LEU A 22 -7.241 -1.059 32.857 1.00 35.51 C ATOM 336 O LEU A 22 -6.853 0.063 32.529 1.00 71.53 O ATOM 337 CB LEU A 22 -5.760 -3.028 32.434 1.00 12.14 C ATOM 338 CG LEU A 22 -4.430 -3.702 32.770 1.00 25.31 C ATOM 339 CD1 LEU A 22 -4.500 -4.366 34.135 1.00 12.30 C ATOM 340 CD2 LEU A 22 -4.067 -4.721 31.702 1.00 4.03 C ATOM 0 H LEU A 22 -7.489 -3.621 34.231 1.00 10.45 H new ATOM 0 HA LEU A 22 -5.454 -1.523 33.943 1.00 4.02 H new ATOM 0 HB2 LEU A 22 -6.508 -3.802 32.263 1.00 12.14 H new ATOM 0 HB3 LEU A 22 -5.646 -2.482 31.498 1.00 12.14 H new ATOM 0 HG LEU A 22 -3.653 -2.938 32.798 1.00 25.31 H new ATOM 0 HD11 LEU A 22 -3.545 -4.841 34.358 1.00 12.30 H new ATOM 0 HD12 LEU A 22 -4.718 -3.615 34.894 1.00 12.30 H new ATOM 0 HD13 LEU A 22 -5.288 -5.119 34.133 1.00 12.30 H new ATOM 0 HD21 LEU A 22 -3.117 -5.192 31.956 1.00 4.03 H new ATOM 0 HD22 LEU A 22 -4.846 -5.482 31.645 1.00 4.03 H new ATOM 0 HD23 LEU A 22 -3.977 -4.221 30.738 1.00 4.03 H new ATOM 352 N TYR A 23 -8.487 -1.479 32.685 1.00 34.05 N ATOM 353 CA TYR A 23 -9.519 -0.639 32.085 1.00 23.50 C ATOM 354 C TYR A 23 -10.149 0.280 33.135 1.00 25.40 C ATOM 355 O TYR A 23 -9.919 0.108 34.332 1.00 43.13 O ATOM 356 CB TYR A 23 -10.592 -1.531 31.458 1.00 63.45 C ATOM 357 CG TYR A 23 -10.783 -1.320 29.977 1.00 52.33 C ATOM 358 CD1 TYR A 23 -9.704 -1.302 29.104 1.00 65.42 C ATOM 359 CD2 TYR A 23 -12.053 -1.124 29.460 1.00 4.51 C ATOM 360 CE1 TYR A 23 -9.890 -1.095 27.749 1.00 33.35 C ATOM 361 CE2 TYR A 23 -12.250 -0.914 28.111 1.00 71.50 C ATOM 362 CZ TYR A 23 -11.166 -0.900 27.258 1.00 12.35 C ATOM 363 OH TYR A 23 -11.358 -0.690 25.912 1.00 2.05 O ATOM 0 H TYR A 23 -8.812 -2.407 32.956 1.00 34.05 H new ATOM 0 HA TYR A 23 -9.065 -0.014 31.316 1.00 23.50 H new ATOM 0 HB2 TYR A 23 -10.330 -2.574 31.634 1.00 63.45 H new ATOM 0 HB3 TYR A 23 -11.540 -1.351 31.965 1.00 63.45 H new ATOM 0 HD1 TYR A 23 -8.706 -1.452 29.488 1.00 65.42 H new ATOM 0 HD2 TYR A 23 -12.904 -1.136 30.125 1.00 4.51 H new ATOM 0 HE1 TYR A 23 -9.043 -1.086 27.079 1.00 33.35 H new ATOM 0 HE2 TYR A 23 -13.247 -0.761 27.725 1.00 71.50 H new ATOM 0 HH TYR A 23 -12.314 -0.572 25.732 1.00 2.05 H new ATOM 373 N PRO A 24 -10.957 1.272 32.699 1.00 32.24 N ATOM 374 CA PRO A 24 -11.635 2.224 33.586 1.00 11.05 C ATOM 375 C PRO A 24 -12.237 1.565 34.823 1.00 1.33 C ATOM 376 O PRO A 24 -12.090 0.364 35.043 1.00 21.12 O ATOM 377 CB PRO A 24 -12.747 2.816 32.698 1.00 65.33 C ATOM 378 CG PRO A 24 -12.688 2.048 31.417 1.00 43.20 C ATOM 379 CD PRO A 24 -11.281 1.560 31.304 1.00 63.42 C ATOM 0 HA PRO A 24 -10.939 2.965 33.979 1.00 11.05 H new ATOM 0 HB2 PRO A 24 -13.723 2.714 33.172 1.00 65.33 H new ATOM 0 HB3 PRO A 24 -12.586 3.880 32.525 1.00 65.33 H new ATOM 0 HG2 PRO A 24 -13.392 1.216 31.427 1.00 43.20 H new ATOM 0 HG3 PRO A 24 -12.953 2.680 30.569 1.00 43.20 H new ATOM 0 HD2 PRO A 24 -11.204 0.674 30.674 1.00 63.42 H new ATOM 0 HD3 PRO A 24 -10.619 2.313 30.877 1.00 63.42 H new ATOM 387 N GLY A 25 -12.902 2.371 35.641 1.00 62.31 N ATOM 388 CA GLY A 25 -13.493 1.865 36.861 1.00 55.53 C ATOM 389 C GLY A 25 -14.827 1.181 36.678 1.00 61.45 C ATOM 390 O GLY A 25 -15.018 0.053 37.132 1.00 31.03 O ATOM 0 H GLY A 25 -13.042 3.368 35.479 1.00 62.31 H new ATOM 0 HA2 GLY A 25 -12.799 1.161 37.321 1.00 55.53 H new ATOM 0 HA3 GLY A 25 -13.617 2.693 37.559 1.00 55.53 H new ATOM 394 N GLU A 26 -15.754 1.858 36.028 1.00 34.32 N ATOM 395 CA GLU A 26 -17.079 1.300 35.808 1.00 25.33 C ATOM 396 C GLU A 26 -17.002 0.014 34.998 1.00 14.12 C ATOM 397 O GLU A 26 -17.535 -1.020 35.399 1.00 61.02 O ATOM 398 CB GLU A 26 -17.970 2.315 35.089 1.00 60.13 C ATOM 399 CG GLU A 26 -19.452 2.127 35.366 1.00 32.34 C ATOM 400 CD GLU A 26 -19.853 2.616 36.745 1.00 53.51 C ATOM 401 OE1 GLU A 26 -19.045 2.464 37.685 1.00 61.30 O ATOM 402 OE2 GLU A 26 -20.974 3.148 36.885 1.00 44.40 O ATOM 0 H GLU A 26 -15.617 2.793 35.643 1.00 34.32 H new ATOM 0 HA GLU A 26 -17.513 1.069 36.781 1.00 25.33 H new ATOM 0 HB2 GLU A 26 -17.677 3.321 35.391 1.00 60.13 H new ATOM 0 HB3 GLU A 26 -17.797 2.241 34.015 1.00 60.13 H new ATOM 0 HG2 GLU A 26 -20.030 2.662 34.612 1.00 32.34 H new ATOM 0 HG3 GLU A 26 -19.705 1.071 35.271 1.00 32.34 H new ATOM 409 N LEU A 27 -16.366 0.097 33.839 1.00 43.20 N ATOM 410 CA LEU A 27 -16.249 -1.044 32.942 1.00 70.03 C ATOM 411 C LEU A 27 -15.083 -1.967 33.289 1.00 3.24 C ATOM 412 O LEU A 27 -15.258 -3.176 33.398 1.00 43.43 O ATOM 413 CB LEU A 27 -16.097 -0.541 31.513 1.00 42.54 C ATOM 414 CG LEU A 27 -17.131 -1.099 30.538 1.00 51.12 C ATOM 415 CD1 LEU A 27 -17.021 -0.416 29.185 1.00 14.22 C ATOM 416 CD2 LEU A 27 -16.960 -2.604 30.404 1.00 51.13 C ATOM 0 H LEU A 27 -15.920 0.948 33.496 1.00 43.20 H new ATOM 0 HA LEU A 27 -17.158 -1.635 33.053 1.00 70.03 H new ATOM 0 HB2 LEU A 27 -16.165 0.547 31.514 1.00 42.54 H new ATOM 0 HB3 LEU A 27 -15.100 -0.798 31.154 1.00 42.54 H new ATOM 0 HG LEU A 27 -18.127 -0.897 30.931 1.00 51.12 H new ATOM 0 HD11 LEU A 27 -17.767 -0.830 28.507 1.00 14.22 H new ATOM 0 HD12 LEU A 27 -17.191 0.654 29.303 1.00 14.22 H new ATOM 0 HD13 LEU A 27 -16.025 -0.582 28.774 1.00 14.22 H new ATOM 0 HD21 LEU A 27 -17.702 -2.994 29.707 1.00 51.13 H new ATOM 0 HD22 LEU A 27 -15.960 -2.825 30.031 1.00 51.13 H new ATOM 0 HD23 LEU A 27 -17.096 -3.074 31.378 1.00 51.13 H new ATOM 428 N GLY A 28 -13.890 -1.405 33.441 1.00 3.43 N ATOM 429 CA GLY A 28 -12.723 -2.219 33.748 1.00 70.33 C ATOM 430 C GLY A 28 -12.974 -3.265 34.816 1.00 53.45 C ATOM 431 O GLY A 28 -12.329 -4.312 34.824 1.00 64.53 O ATOM 0 H GLY A 28 -13.707 -0.405 33.358 1.00 3.43 H new ATOM 0 HA2 GLY A 28 -12.387 -2.715 32.837 1.00 70.33 H new ATOM 0 HA3 GLY A 28 -11.912 -1.568 34.073 1.00 70.33 H new ATOM 435 N LYS A 29 -13.913 -2.993 35.712 1.00 41.30 N ATOM 436 CA LYS A 29 -14.234 -3.933 36.778 1.00 11.31 C ATOM 437 C LYS A 29 -14.658 -5.284 36.206 1.00 74.12 C ATOM 438 O LYS A 29 -14.027 -6.305 36.479 1.00 50.10 O ATOM 439 CB LYS A 29 -15.340 -3.365 37.672 1.00 13.40 C ATOM 440 CG LYS A 29 -14.904 -3.161 39.114 1.00 74.43 C ATOM 441 CD LYS A 29 -15.800 -2.163 39.832 1.00 54.40 C ATOM 442 CE LYS A 29 -15.005 -1.292 40.795 1.00 33.14 C ATOM 443 NZ LYS A 29 -14.882 0.110 40.309 1.00 73.52 N ATOM 0 H LYS A 29 -14.463 -2.134 35.723 1.00 41.30 H new ATOM 0 HA LYS A 29 -13.337 -4.084 37.379 1.00 11.31 H new ATOM 0 HB2 LYS A 29 -15.674 -2.412 37.263 1.00 13.40 H new ATOM 0 HB3 LYS A 29 -16.196 -4.039 37.651 1.00 13.40 H new ATOM 0 HG2 LYS A 29 -14.926 -4.115 39.640 1.00 74.43 H new ATOM 0 HG3 LYS A 29 -13.873 -2.808 39.137 1.00 74.43 H new ATOM 0 HD2 LYS A 29 -16.303 -1.532 39.100 1.00 54.40 H new ATOM 0 HD3 LYS A 29 -16.576 -2.698 40.379 1.00 54.40 H new ATOM 0 HE2 LYS A 29 -15.490 -1.296 41.771 1.00 33.14 H new ATOM 0 HE3 LYS A 29 -14.010 -1.717 40.931 1.00 33.14 H new ATOM 0 HZ1 LYS A 29 -13.982 0.514 40.638 1.00 73.52 H new ATOM 0 HZ2 LYS A 29 -14.907 0.120 39.269 1.00 73.52 H new ATOM 0 HZ3 LYS A 29 -15.671 0.676 40.680 1.00 73.52 H new ATOM 457 N ARG A 30 -15.730 -5.285 35.420 1.00 14.42 N ATOM 458 CA ARG A 30 -16.237 -6.515 34.821 1.00 74.43 C ATOM 459 C ARG A 30 -15.168 -7.210 33.975 1.00 51.04 C ATOM 460 O ARG A 30 -15.068 -8.433 33.984 1.00 65.32 O ATOM 461 CB ARG A 30 -17.485 -6.231 33.984 1.00 42.34 C ATOM 462 CG ARG A 30 -17.250 -5.246 32.856 1.00 12.00 C ATOM 463 CD ARG A 30 -18.560 -4.759 32.254 1.00 64.35 C ATOM 464 NE ARG A 30 -18.946 -3.443 32.762 1.00 14.55 N ATOM 465 CZ ARG A 30 -19.719 -3.249 33.829 1.00 44.23 C ATOM 466 NH1 ARG A 30 -20.212 -4.281 34.501 1.00 71.24 N ATOM 467 NH2 ARG A 30 -20.007 -2.014 34.218 1.00 70.40 N ATOM 0 H ARG A 30 -16.264 -4.449 35.183 1.00 14.42 H new ATOM 0 HA ARG A 30 -16.508 -7.191 35.632 1.00 74.43 H new ATOM 0 HB2 ARG A 30 -17.852 -7.168 33.566 1.00 42.34 H new ATOM 0 HB3 ARG A 30 -18.268 -5.844 34.635 1.00 42.34 H new ATOM 0 HG2 ARG A 30 -16.682 -4.394 33.229 1.00 12.00 H new ATOM 0 HG3 ARG A 30 -16.646 -5.717 32.081 1.00 12.00 H new ATOM 0 HD2 ARG A 30 -18.465 -4.714 31.169 1.00 64.35 H new ATOM 0 HD3 ARG A 30 -19.349 -5.478 32.475 1.00 64.35 H new ATOM 0 HE ARG A 30 -18.601 -2.621 32.267 1.00 14.55 H new ATOM 0 HH11 ARG A 30 -20.000 -5.233 34.202 1.00 71.24 H new ATOM 0 HH12 ARG A 30 -20.803 -4.123 35.317 1.00 71.24 H new ATOM 0 HH21 ARG A 30 -19.637 -1.217 33.700 1.00 70.40 H new ATOM 0 HH22 ARG A 30 -20.599 -1.861 35.035 1.00 70.40 H new ATOM 481 N ILE A 31 -14.366 -6.435 33.249 1.00 42.52 N ATOM 482 CA ILE A 31 -13.307 -7.014 32.421 1.00 44.44 C ATOM 483 C ILE A 31 -12.248 -7.661 33.297 1.00 73.55 C ATOM 484 O ILE A 31 -11.968 -8.855 33.180 1.00 62.43 O ATOM 485 CB ILE A 31 -12.637 -5.953 31.520 1.00 54.41 C ATOM 486 CG1 ILE A 31 -13.681 -5.256 30.646 1.00 20.53 C ATOM 487 CG2 ILE A 31 -11.558 -6.589 30.651 1.00 14.54 C ATOM 488 CD1 ILE A 31 -13.579 -3.750 30.672 1.00 24.11 C ATOM 0 H ILE A 31 -14.426 -5.417 33.215 1.00 42.52 H new ATOM 0 HA ILE A 31 -13.773 -7.764 31.782 1.00 44.44 H new ATOM 0 HB ILE A 31 -12.167 -5.208 32.162 1.00 54.41 H new ATOM 0 HG12 ILE A 31 -13.572 -5.602 29.618 1.00 20.53 H new ATOM 0 HG13 ILE A 31 -14.677 -5.551 30.978 1.00 20.53 H new ATOM 0 HG21 ILE A 31 -11.099 -5.825 30.024 1.00 14.54 H new ATOM 0 HG22 ILE A 31 -10.798 -7.041 31.288 1.00 14.54 H new ATOM 0 HG23 ILE A 31 -12.005 -7.356 30.019 1.00 14.54 H new ATOM 0 HD11 ILE A 31 -14.349 -3.322 30.030 1.00 24.11 H new ATOM 0 HD12 ILE A 31 -13.718 -3.394 31.693 1.00 24.11 H new ATOM 0 HD13 ILE A 31 -12.596 -3.446 30.312 1.00 24.11 H new ATOM 500 N TYR A 32 -11.667 -6.862 34.171 1.00 64.50 N ATOM 501 CA TYR A 32 -10.637 -7.337 35.076 1.00 23.32 C ATOM 502 C TYR A 32 -11.176 -8.437 35.995 1.00 71.21 C ATOM 503 O TYR A 32 -10.402 -9.190 36.585 1.00 4.24 O ATOM 504 CB TYR A 32 -10.080 -6.156 35.885 1.00 61.31 C ATOM 505 CG TYR A 32 -9.741 -6.472 37.324 1.00 14.12 C ATOM 506 CD1 TYR A 32 -10.738 -6.569 38.287 1.00 20.14 C ATOM 507 CD2 TYR A 32 -8.424 -6.664 37.719 1.00 54.11 C ATOM 508 CE1 TYR A 32 -10.431 -6.851 39.604 1.00 50.43 C ATOM 509 CE2 TYR A 32 -8.111 -6.945 39.034 1.00 31.22 C ATOM 510 CZ TYR A 32 -9.116 -7.038 39.972 1.00 75.01 C ATOM 511 OH TYR A 32 -8.805 -7.318 41.281 1.00 23.44 O ATOM 0 H TYR A 32 -11.893 -5.873 34.274 1.00 64.50 H new ATOM 0 HA TYR A 32 -9.827 -7.775 34.493 1.00 23.32 H new ATOM 0 HB2 TYR A 32 -9.183 -5.786 35.389 1.00 61.31 H new ATOM 0 HB3 TYR A 32 -10.810 -5.347 35.868 1.00 61.31 H new ATOM 0 HD1 TYR A 32 -11.769 -6.422 38.001 1.00 20.14 H new ATOM 0 HD2 TYR A 32 -7.633 -6.593 36.987 1.00 54.11 H new ATOM 0 HE1 TYR A 32 -11.217 -6.925 40.341 1.00 50.43 H new ATOM 0 HE2 TYR A 32 -7.082 -7.091 39.326 1.00 31.22 H new ATOM 0 HH TYR A 32 -7.835 -7.422 41.372 1.00 23.44 H new ATOM 521 N ASN A 33 -12.502 -8.520 36.130 1.00 73.34 N ATOM 522 CA ASN A 33 -13.108 -9.529 37.000 1.00 54.32 C ATOM 523 C ASN A 33 -13.650 -10.736 36.229 1.00 71.34 C ATOM 524 O ASN A 33 -13.399 -11.881 36.603 1.00 44.01 O ATOM 525 CB ASN A 33 -14.232 -8.910 37.832 1.00 0.31 C ATOM 526 CG ASN A 33 -13.719 -8.257 39.100 1.00 15.51 C ATOM 527 OD1 ASN A 33 -12.599 -8.520 39.538 1.00 33.41 O ATOM 528 ND2 ASN A 33 -14.540 -7.400 39.699 1.00 61.25 N ATOM 0 H ASN A 33 -13.168 -7.910 35.655 1.00 73.34 H new ATOM 0 HA ASN A 33 -12.313 -9.889 37.653 1.00 54.32 H new ATOM 0 HB2 ASN A 33 -14.759 -8.168 37.232 1.00 0.31 H new ATOM 0 HB3 ASN A 33 -14.956 -9.682 38.091 1.00 0.31 H new ATOM 0 HD21 ASN A 33 -14.250 -6.931 40.557 1.00 61.25 H new ATOM 0 HD22 ASN A 33 -15.460 -7.212 39.301 1.00 61.25 H new ATOM 535 N GLU A 34 -14.428 -10.476 35.183 1.00 11.44 N ATOM 536 CA GLU A 34 -15.046 -11.546 34.396 1.00 12.01 C ATOM 537 C GLU A 34 -14.228 -11.929 33.163 1.00 33.04 C ATOM 538 O GLU A 34 -14.334 -13.048 32.673 1.00 14.34 O ATOM 539 CB GLU A 34 -16.453 -11.131 33.965 1.00 14.34 C ATOM 540 CG GLU A 34 -17.402 -10.897 35.127 1.00 71.44 C ATOM 541 CD GLU A 34 -18.326 -12.075 35.370 1.00 43.43 C ATOM 542 OE1 GLU A 34 -18.968 -12.536 34.402 1.00 60.04 O ATOM 543 OE2 GLU A 34 -18.408 -12.538 36.528 1.00 51.51 O ATOM 0 H GLU A 34 -14.648 -9.534 34.858 1.00 11.44 H new ATOM 0 HA GLU A 34 -15.089 -12.424 35.040 1.00 12.01 H new ATOM 0 HB2 GLU A 34 -16.388 -10.219 33.371 1.00 14.34 H new ATOM 0 HB3 GLU A 34 -16.868 -11.904 33.318 1.00 14.34 H new ATOM 0 HG2 GLU A 34 -16.824 -10.701 36.030 1.00 71.44 H new ATOM 0 HG3 GLU A 34 -17.999 -10.006 34.931 1.00 71.44 H new ATOM 550 N ILE A 35 -13.423 -11.008 32.657 1.00 41.23 N ATOM 551 CA ILE A 35 -12.605 -11.282 31.481 1.00 15.01 C ATOM 552 C ILE A 35 -11.167 -11.605 31.878 1.00 22.10 C ATOM 553 O ILE A 35 -10.422 -10.733 32.326 1.00 72.42 O ATOM 554 CB ILE A 35 -12.622 -10.094 30.489 1.00 65.24 C ATOM 555 CG1 ILE A 35 -14.052 -9.816 30.014 1.00 43.31 C ATOM 556 CG2 ILE A 35 -11.716 -10.369 29.292 1.00 51.33 C ATOM 557 CD1 ILE A 35 -14.804 -11.060 29.598 1.00 44.35 C ATOM 0 H ILE A 35 -13.317 -10.068 33.038 1.00 41.23 H new ATOM 0 HA ILE A 35 -13.037 -12.151 30.984 1.00 15.01 H new ATOM 0 HB ILE A 35 -12.245 -9.214 31.010 1.00 65.24 H new ATOM 0 HG12 ILE A 35 -14.602 -9.320 30.814 1.00 43.31 H new ATOM 0 HG13 ILE A 35 -14.018 -9.123 29.173 1.00 43.31 H new ATOM 0 HG21 ILE A 35 -11.746 -9.519 28.610 1.00 51.33 H new ATOM 0 HG22 ILE A 35 -10.693 -10.522 29.637 1.00 51.33 H new ATOM 0 HG23 ILE A 35 -12.061 -11.263 28.773 1.00 51.33 H new ATOM 0 HD11 ILE A 35 -15.808 -10.787 29.274 1.00 44.35 H new ATOM 0 HD12 ILE A 35 -14.277 -11.546 28.777 1.00 44.35 H new ATOM 0 HD13 ILE A 35 -14.869 -11.745 30.443 1.00 44.35 H new ATOM 569 N SER A 36 -10.789 -12.869 31.708 1.00 32.24 N ATOM 570 CA SER A 36 -9.444 -13.318 32.043 1.00 70.31 C ATOM 571 C SER A 36 -8.422 -12.754 31.062 1.00 1.11 C ATOM 572 O SER A 36 -8.779 -12.053 30.114 1.00 2.44 O ATOM 573 CB SER A 36 -9.380 -14.847 32.041 1.00 53.15 C ATOM 574 OG SER A 36 -9.747 -15.372 30.778 1.00 41.34 O ATOM 0 H SER A 36 -11.397 -13.600 31.340 1.00 32.24 H new ATOM 0 HA SER A 36 -9.203 -12.952 33.041 1.00 70.31 H new ATOM 0 HB2 SER A 36 -8.371 -15.172 32.294 1.00 53.15 H new ATOM 0 HB3 SER A 36 -10.044 -15.243 32.809 1.00 53.15 H new ATOM 0 HG SER A 36 -10.716 -15.287 30.657 1.00 41.34 H new ATOM 580 N LYS A 37 -7.150 -13.062 31.294 1.00 42.00 N ATOM 581 CA LYS A 37 -6.079 -12.583 30.428 1.00 52.25 C ATOM 582 C LYS A 37 -6.207 -13.167 29.025 1.00 52.31 C ATOM 583 O LYS A 37 -5.887 -12.506 28.037 1.00 14.05 O ATOM 584 CB LYS A 37 -4.715 -12.945 31.019 1.00 71.22 C ATOM 585 CG LYS A 37 -4.395 -12.206 32.308 1.00 2.54 C ATOM 586 CD LYS A 37 -3.777 -13.129 33.344 1.00 32.52 C ATOM 587 CE LYS A 37 -2.763 -12.397 34.209 1.00 55.32 C ATOM 588 NZ LYS A 37 -1.861 -13.338 34.928 1.00 43.10 N ATOM 0 H LYS A 37 -6.836 -13.640 32.073 1.00 42.00 H new ATOM 0 HA LYS A 37 -6.163 -11.498 30.359 1.00 52.25 H new ATOM 0 HB2 LYS A 37 -4.683 -14.018 31.208 1.00 71.22 H new ATOM 0 HB3 LYS A 37 -3.940 -12.728 30.284 1.00 71.22 H new ATOM 0 HG2 LYS A 37 -3.710 -11.385 32.097 1.00 2.54 H new ATOM 0 HG3 LYS A 37 -5.307 -11.765 32.711 1.00 2.54 H new ATOM 0 HD2 LYS A 37 -4.562 -13.546 33.975 1.00 32.52 H new ATOM 0 HD3 LYS A 37 -3.292 -13.967 32.843 1.00 32.52 H new ATOM 0 HE2 LYS A 37 -2.168 -11.730 33.585 1.00 55.32 H new ATOM 0 HE3 LYS A 37 -3.287 -11.773 34.933 1.00 55.32 H new ATOM 0 HZ1 LYS A 37 -1.186 -12.798 35.506 1.00 43.10 H new ATOM 0 HZ2 LYS A 37 -2.425 -13.958 35.544 1.00 43.10 H new ATOM 0 HZ3 LYS A 37 -1.341 -13.916 34.238 1.00 43.10 H new ATOM 602 N GLU A 38 -6.678 -14.407 28.942 1.00 41.40 N ATOM 603 CA GLU A 38 -6.846 -15.073 27.656 1.00 54.20 C ATOM 604 C GLU A 38 -7.872 -14.340 26.795 1.00 31.43 C ATOM 605 O GLU A 38 -7.609 -14.021 25.636 1.00 60.21 O ATOM 606 CB GLU A 38 -7.269 -16.530 27.858 1.00 41.40 C ATOM 607 CG GLU A 38 -6.214 -17.533 27.422 1.00 62.41 C ATOM 608 CD GLU A 38 -6.486 -18.932 27.942 1.00 30.14 C ATOM 609 OE1 GLU A 38 -7.649 -19.380 27.858 1.00 54.15 O ATOM 610 OE2 GLU A 38 -5.537 -19.578 28.432 1.00 72.33 O ATOM 0 H GLU A 38 -6.950 -14.970 29.748 1.00 41.40 H new ATOM 0 HA GLU A 38 -5.887 -15.056 27.138 1.00 54.20 H new ATOM 0 HB2 GLU A 38 -7.499 -16.691 28.911 1.00 41.40 H new ATOM 0 HB3 GLU A 38 -8.187 -16.714 27.300 1.00 41.40 H new ATOM 0 HG2 GLU A 38 -6.169 -17.557 26.333 1.00 62.41 H new ATOM 0 HG3 GLU A 38 -5.237 -17.203 27.774 1.00 62.41 H new ATOM 617 N ALA A 39 -9.038 -14.072 27.372 1.00 51.41 N ATOM 618 CA ALA A 39 -10.099 -13.372 26.658 1.00 63.44 C ATOM 619 C ALA A 39 -9.669 -11.951 26.312 1.00 13.12 C ATOM 620 O ALA A 39 -10.046 -11.410 25.273 1.00 44.04 O ATOM 621 CB ALA A 39 -11.372 -13.351 27.491 1.00 12.31 C ATOM 0 H ALA A 39 -9.272 -14.329 28.331 1.00 51.41 H new ATOM 0 HA ALA A 39 -10.298 -13.906 25.729 1.00 63.44 H new ATOM 0 HB1 ALA A 39 -12.155 -12.825 26.945 1.00 12.31 H new ATOM 0 HB2 ALA A 39 -11.693 -14.373 27.691 1.00 12.31 H new ATOM 0 HB3 ALA A 39 -11.181 -12.839 28.434 1.00 12.31 H new ATOM 627 N TRP A 40 -8.873 -11.357 27.194 1.00 21.45 N ATOM 628 CA TRP A 40 -8.379 -10.000 26.993 1.00 64.40 C ATOM 629 C TRP A 40 -7.391 -9.954 25.832 1.00 11.24 C ATOM 630 O TRP A 40 -7.383 -9.004 25.049 1.00 3.30 O ATOM 631 CB TRP A 40 -7.714 -9.492 28.272 1.00 22.34 C ATOM 632 CG TRP A 40 -7.417 -8.025 28.254 1.00 24.04 C ATOM 633 CD1 TRP A 40 -6.189 -7.441 28.357 1.00 14.34 C ATOM 634 CD2 TRP A 40 -8.363 -6.955 28.134 1.00 71.33 C ATOM 635 NE1 TRP A 40 -6.310 -6.073 28.308 1.00 2.03 N ATOM 636 CE2 TRP A 40 -7.635 -5.750 28.171 1.00 22.04 C ATOM 637 CE3 TRP A 40 -9.753 -6.899 27.997 1.00 10.53 C ATOM 638 CZ2 TRP A 40 -8.253 -4.504 28.078 1.00 13.34 C ATOM 639 CZ3 TRP A 40 -10.364 -5.662 27.905 1.00 12.25 C ATOM 640 CH2 TRP A 40 -9.615 -4.480 27.946 1.00 72.40 C ATOM 0 H TRP A 40 -8.555 -11.796 28.058 1.00 21.45 H new ATOM 0 HA TRP A 40 -9.224 -9.355 26.751 1.00 64.40 H new ATOM 0 HB2 TRP A 40 -8.362 -9.712 29.120 1.00 22.34 H new ATOM 0 HB3 TRP A 40 -6.785 -10.040 28.430 1.00 22.34 H new ATOM 0 HD1 TRP A 40 -5.257 -7.976 28.462 1.00 14.34 H new ATOM 0 HE1 TRP A 40 -5.540 -5.407 28.364 1.00 2.03 H new ATOM 0 HE3 TRP A 40 -10.339 -7.806 27.964 1.00 10.53 H new ATOM 0 HZ2 TRP A 40 -7.678 -3.590 28.109 1.00 13.34 H new ATOM 0 HZ3 TRP A 40 -11.437 -5.607 27.800 1.00 12.25 H new ATOM 0 HH2 TRP A 40 -10.122 -3.530 27.872 1.00 72.40 H new ATOM 651 N ALA A 41 -6.566 -10.990 25.723 1.00 22.20 N ATOM 652 CA ALA A 41 -5.582 -11.069 24.650 1.00 53.14 C ATOM 653 C ALA A 41 -6.267 -11.165 23.292 1.00 42.33 C ATOM 654 O ALA A 41 -5.681 -10.827 22.264 1.00 53.05 O ATOM 655 CB ALA A 41 -4.659 -12.261 24.863 1.00 23.01 C ATOM 0 H ALA A 41 -6.559 -11.784 26.363 1.00 22.20 H new ATOM 0 HA ALA A 41 -4.985 -10.157 24.668 1.00 53.14 H new ATOM 0 HB1 ALA A 41 -3.930 -12.306 24.054 1.00 23.01 H new ATOM 0 HB2 ALA A 41 -4.138 -12.153 25.814 1.00 23.01 H new ATOM 0 HB3 ALA A 41 -5.247 -13.179 24.874 1.00 23.01 H new ATOM 661 N GLN A 42 -7.520 -11.612 23.298 1.00 45.32 N ATOM 662 CA GLN A 42 -8.294 -11.733 22.071 1.00 24.31 C ATOM 663 C GLN A 42 -8.916 -10.391 21.704 1.00 23.11 C ATOM 664 O GLN A 42 -9.192 -10.119 20.536 1.00 73.11 O ATOM 665 CB GLN A 42 -9.383 -12.795 22.235 1.00 64.34 C ATOM 666 CG GLN A 42 -8.856 -14.125 22.750 1.00 12.21 C ATOM 667 CD GLN A 42 -9.559 -15.314 22.123 1.00 5.23 C ATOM 668 OE1 GLN A 42 -10.547 -15.159 21.406 1.00 75.14 O ATOM 669 NE2 GLN A 42 -9.048 -16.510 22.390 1.00 44.42 N ATOM 0 H GLN A 42 -8.019 -11.896 24.141 1.00 45.32 H new ATOM 0 HA GLN A 42 -7.626 -12.039 21.266 1.00 24.31 H new ATOM 0 HB2 GLN A 42 -10.143 -12.423 22.922 1.00 64.34 H new ATOM 0 HB3 GLN A 42 -9.873 -12.954 21.274 1.00 64.34 H new ATOM 0 HG2 GLN A 42 -7.787 -14.191 22.547 1.00 12.21 H new ATOM 0 HG3 GLN A 42 -8.978 -14.165 23.832 1.00 12.21 H new ATOM 0 HE21 GLN A 42 -8.227 -16.592 22.990 1.00 44.42 H new ATOM 0 HE22 GLN A 42 -9.476 -17.347 21.995 1.00 44.42 H new ATOM 678 N TRP A 43 -9.126 -9.552 22.715 1.00 55.12 N ATOM 679 CA TRP A 43 -9.704 -8.231 22.514 1.00 54.33 C ATOM 680 C TRP A 43 -8.632 -7.247 22.055 1.00 32.20 C ATOM 681 O TRP A 43 -8.816 -6.523 21.078 1.00 45.45 O ATOM 682 CB TRP A 43 -10.360 -7.744 23.811 1.00 21.24 C ATOM 683 CG TRP A 43 -10.520 -6.254 23.893 1.00 14.31 C ATOM 684 CD1 TRP A 43 -9.956 -5.421 24.814 1.00 42.10 C ATOM 685 CD2 TRP A 43 -11.293 -5.423 23.018 1.00 45.21 C ATOM 686 NE1 TRP A 43 -10.330 -4.123 24.567 1.00 3.05 N ATOM 687 CE2 TRP A 43 -11.152 -4.098 23.472 1.00 43.44 C ATOM 688 CE3 TRP A 43 -12.089 -5.670 21.896 1.00 21.12 C ATOM 689 CZ2 TRP A 43 -11.780 -3.026 22.846 1.00 41.34 C ATOM 690 CZ3 TRP A 43 -12.710 -4.603 21.274 1.00 23.33 C ATOM 691 CH2 TRP A 43 -12.554 -3.296 21.751 1.00 23.41 C ATOM 0 H TRP A 43 -8.902 -9.768 23.686 1.00 55.12 H new ATOM 0 HA TRP A 43 -10.467 -8.294 21.738 1.00 54.33 H new ATOM 0 HB2 TRP A 43 -11.341 -8.210 23.907 1.00 21.24 H new ATOM 0 HB3 TRP A 43 -9.762 -8.082 24.657 1.00 21.24 H new ATOM 0 HD1 TRP A 43 -9.310 -5.736 25.620 1.00 42.10 H new ATOM 0 HE1 TRP A 43 -10.042 -3.309 25.111 1.00 3.05 H new ATOM 0 HE3 TRP A 43 -12.216 -6.675 21.522 1.00 21.12 H new ATOM 0 HZ2 TRP A 43 -11.661 -2.017 23.212 1.00 41.34 H new ATOM 0 HZ3 TRP A 43 -13.326 -4.781 20.405 1.00 23.33 H new ATOM 0 HH2 TRP A 43 -13.055 -2.485 21.244 1.00 23.41 H new ATOM 702 N GLN A 44 -7.508 -7.227 22.769 1.00 51.52 N ATOM 703 CA GLN A 44 -6.405 -6.334 22.436 1.00 3.30 C ATOM 704 C GLN A 44 -6.075 -6.420 20.948 1.00 74.45 C ATOM 705 O GLN A 44 -5.844 -5.405 20.290 1.00 32.54 O ATOM 706 CB GLN A 44 -5.169 -6.674 23.269 1.00 73.54 C ATOM 707 CG GLN A 44 -5.400 -6.574 24.769 1.00 4.42 C ATOM 708 CD GLN A 44 -4.696 -5.382 25.388 1.00 41.44 C ATOM 709 OE1 GLN A 44 -3.487 -5.213 25.233 1.00 2.02 O ATOM 710 NE2 GLN A 44 -5.452 -4.549 26.095 1.00 2.33 N ATOM 0 H GLN A 44 -7.339 -7.820 23.582 1.00 51.52 H new ATOM 0 HA GLN A 44 -6.712 -5.314 22.667 1.00 3.30 H new ATOM 0 HB2 GLN A 44 -4.845 -7.686 23.026 1.00 73.54 H new ATOM 0 HB3 GLN A 44 -4.357 -6.003 22.989 1.00 73.54 H new ATOM 0 HG2 GLN A 44 -6.470 -6.501 24.964 1.00 4.42 H new ATOM 0 HG3 GLN A 44 -5.050 -7.488 25.249 1.00 4.42 H new ATOM 0 HE21 GLN A 44 -6.451 -4.729 26.197 1.00 2.33 H new ATOM 0 HE22 GLN A 44 -5.034 -3.730 26.536 1.00 2.33 H new ATOM 719 N HIS A 45 -6.071 -7.641 20.418 1.00 5.13 N ATOM 720 CA HIS A 45 -5.790 -7.861 19.005 1.00 12.51 C ATOM 721 C HIS A 45 -6.833 -7.146 18.150 1.00 52.13 C ATOM 722 O HIS A 45 -6.502 -6.500 17.156 1.00 22.04 O ATOM 723 CB HIS A 45 -5.779 -9.363 18.697 1.00 61.45 C ATOM 724 CG HIS A 45 -5.833 -9.686 17.235 1.00 44.53 C ATOM 725 ND1 HIS A 45 -4.710 -9.784 16.441 1.00 20.33 N ATOM 726 CD2 HIS A 45 -6.887 -9.936 16.422 1.00 31.41 C ATOM 727 CE1 HIS A 45 -5.068 -10.081 15.205 1.00 42.21 C ATOM 728 NE2 HIS A 45 -6.384 -10.179 15.167 1.00 45.21 N ATOM 0 H HIS A 45 -6.259 -8.492 20.948 1.00 5.13 H new ATOM 0 HA HIS A 45 -4.807 -7.453 18.769 1.00 12.51 H new ATOM 0 HB2 HIS A 45 -4.878 -9.804 19.123 1.00 61.45 H new ATOM 0 HB3 HIS A 45 -6.629 -9.831 19.194 1.00 61.45 H new ATOM 0 HD2 HIS A 45 -7.929 -9.943 16.707 1.00 31.41 H new ATOM 0 HE1 HIS A 45 -4.399 -10.220 14.369 1.00 42.21 H new ATOM 0 HE2 HIS A 45 -6.938 -10.400 14.339 1.00 45.21 H new ATOM 736 N LYS A 46 -8.092 -7.260 18.557 1.00 55.53 N ATOM 737 CA LYS A 46 -9.190 -6.619 17.848 1.00 40.11 C ATOM 738 C LYS A 46 -9.200 -5.116 18.119 1.00 73.41 C ATOM 739 O LYS A 46 -9.763 -4.338 17.349 1.00 51.20 O ATOM 740 CB LYS A 46 -10.525 -7.239 18.270 1.00 2.14 C ATOM 741 CG LYS A 46 -11.725 -6.663 17.538 1.00 34.23 C ATOM 742 CD LYS A 46 -12.222 -7.600 16.450 1.00 13.22 C ATOM 743 CE LYS A 46 -13.105 -6.874 15.448 1.00 12.15 C ATOM 744 NZ LYS A 46 -13.509 -7.757 14.319 1.00 74.13 N ATOM 0 H LYS A 46 -8.377 -7.793 19.378 1.00 55.53 H new ATOM 0 HA LYS A 46 -9.049 -6.777 16.779 1.00 40.11 H new ATOM 0 HB2 LYS A 46 -10.487 -8.314 18.097 1.00 2.14 H new ATOM 0 HB3 LYS A 46 -10.660 -7.094 19.342 1.00 2.14 H new ATOM 0 HG2 LYS A 46 -12.529 -6.473 18.250 1.00 34.23 H new ATOM 0 HG3 LYS A 46 -11.456 -5.703 17.097 1.00 34.23 H new ATOM 0 HD2 LYS A 46 -11.371 -8.042 15.933 1.00 13.22 H new ATOM 0 HD3 LYS A 46 -12.781 -8.420 16.902 1.00 13.22 H new ATOM 0 HE2 LYS A 46 -13.996 -6.501 15.953 1.00 12.15 H new ATOM 0 HE3 LYS A 46 -12.573 -6.006 15.058 1.00 12.15 H new ATOM 0 HZ1 LYS A 46 -14.110 -7.223 13.659 1.00 74.13 H new ATOM 0 HZ2 LYS A 46 -12.660 -8.093 13.820 1.00 74.13 H new ATOM 0 HZ3 LYS A 46 -14.039 -8.572 14.688 1.00 74.13 H new ATOM 758 N GLN A 47 -8.570 -4.713 19.218 1.00 52.34 N ATOM 759 CA GLN A 47 -8.502 -3.307 19.589 1.00 41.35 C ATOM 760 C GLN A 47 -7.589 -2.541 18.633 1.00 55.42 C ATOM 761 O GLN A 47 -7.986 -1.530 18.053 1.00 61.23 O ATOM 762 CB GLN A 47 -7.994 -3.169 21.031 1.00 50.34 C ATOM 763 CG GLN A 47 -7.443 -1.791 21.368 1.00 75.45 C ATOM 764 CD GLN A 47 -7.099 -1.645 22.837 1.00 54.04 C ATOM 765 OE1 GLN A 47 -7.424 -0.638 23.466 1.00 60.30 O ATOM 766 NE2 GLN A 47 -6.436 -2.649 23.392 1.00 24.34 N ATOM 0 H GLN A 47 -8.099 -5.343 19.867 1.00 52.34 H new ATOM 0 HA GLN A 47 -9.503 -2.882 19.522 1.00 41.35 H new ATOM 0 HB2 GLN A 47 -8.810 -3.399 21.716 1.00 50.34 H new ATOM 0 HB3 GLN A 47 -7.215 -3.912 21.203 1.00 50.34 H new ATOM 0 HG2 GLN A 47 -6.552 -1.604 20.769 1.00 75.45 H new ATOM 0 HG3 GLN A 47 -8.177 -1.033 21.093 1.00 75.45 H new ATOM 0 HE21 GLN A 47 -6.186 -3.466 22.834 1.00 24.34 H new ATOM 0 HE22 GLN A 47 -6.175 -2.605 24.377 1.00 24.34 H new ATOM 775 N THR A 48 -6.361 -3.028 18.484 1.00 2.31 N ATOM 776 CA THR A 48 -5.380 -2.389 17.612 1.00 41.14 C ATOM 777 C THR A 48 -5.922 -2.190 16.198 1.00 32.32 C ATOM 778 O THR A 48 -5.657 -1.167 15.566 1.00 11.51 O ATOM 779 CB THR A 48 -4.092 -3.216 17.567 1.00 74.14 C ATOM 780 OG1 THR A 48 -3.088 -2.541 16.832 1.00 65.15 O ATOM 781 CG2 THR A 48 -4.274 -4.583 16.945 1.00 22.44 C ATOM 0 H THR A 48 -6.020 -3.865 18.957 1.00 2.31 H new ATOM 0 HA THR A 48 -5.164 -1.405 18.028 1.00 41.14 H new ATOM 0 HB THR A 48 -3.800 -3.347 18.609 1.00 74.14 H new ATOM 0 HG1 THR A 48 -2.273 -3.085 16.816 1.00 65.15 H new ATOM 0 HG21 THR A 48 -3.322 -5.113 16.946 1.00 22.44 H new ATOM 0 HG22 THR A 48 -5.006 -5.150 17.521 1.00 22.44 H new ATOM 0 HG23 THR A 48 -4.626 -4.472 15.919 1.00 22.44 H new ATOM 789 N MET A 49 -6.672 -3.168 15.696 1.00 63.31 N ATOM 790 CA MET A 49 -7.230 -3.080 14.349 1.00 24.21 C ATOM 791 C MET A 49 -8.477 -2.204 14.320 1.00 40.42 C ATOM 792 O MET A 49 -8.641 -1.377 13.423 1.00 5.35 O ATOM 793 CB MET A 49 -7.559 -4.475 13.809 1.00 25.43 C ATOM 794 CG MET A 49 -8.344 -5.342 14.779 1.00 13.45 C ATOM 795 SD MET A 49 -9.988 -5.766 14.166 1.00 74.20 S ATOM 796 CE MET A 49 -9.582 -6.450 12.563 1.00 41.13 C ATOM 0 H MET A 49 -6.906 -4.025 16.197 1.00 63.31 H new ATOM 0 HA MET A 49 -6.475 -2.621 13.711 1.00 24.21 H new ATOM 0 HB2 MET A 49 -8.130 -4.371 12.886 1.00 25.43 H new ATOM 0 HB3 MET A 49 -6.629 -4.983 13.553 1.00 25.43 H new ATOM 0 HG2 MET A 49 -7.786 -6.258 14.973 1.00 13.45 H new ATOM 0 HG3 MET A 49 -8.440 -4.819 15.731 1.00 13.45 H new ATOM 0 HE1 MET A 49 -10.290 -7.241 12.315 1.00 41.13 H new ATOM 0 HE2 MET A 49 -9.636 -5.665 11.808 1.00 41.13 H new ATOM 0 HE3 MET A 49 -8.573 -6.861 12.588 1.00 41.13 H new ATOM 806 N LEU A 50 -9.355 -2.382 15.304 1.00 10.12 N ATOM 807 CA LEU A 50 -10.584 -1.599 15.379 1.00 72.50 C ATOM 808 C LEU A 50 -10.273 -0.108 15.367 1.00 24.05 C ATOM 809 O LEU A 50 -10.994 0.682 14.767 1.00 31.33 O ATOM 810 CB LEU A 50 -11.370 -1.962 16.642 1.00 35.02 C ATOM 811 CG LEU A 50 -12.220 -3.227 16.531 1.00 62.32 C ATOM 812 CD1 LEU A 50 -12.754 -3.637 17.895 1.00 23.33 C ATOM 813 CD2 LEU A 50 -13.364 -3.017 15.552 1.00 64.03 C ATOM 0 H LEU A 50 -9.238 -3.059 16.058 1.00 10.12 H new ATOM 0 HA LEU A 50 -11.192 -1.833 14.505 1.00 72.50 H new ATOM 0 HB2 LEU A 50 -10.668 -2.085 17.466 1.00 35.02 H new ATOM 0 HB3 LEU A 50 -12.021 -1.126 16.900 1.00 35.02 H new ATOM 0 HG LEU A 50 -11.588 -4.031 16.155 1.00 62.32 H new ATOM 0 HD11 LEU A 50 -13.356 -4.540 17.794 1.00 23.33 H new ATOM 0 HD12 LEU A 50 -11.920 -3.831 18.569 1.00 23.33 H new ATOM 0 HD13 LEU A 50 -13.369 -2.834 18.301 1.00 23.33 H new ATOM 0 HD21 LEU A 50 -13.958 -3.928 15.486 1.00 64.03 H new ATOM 0 HD22 LEU A 50 -13.994 -2.197 15.899 1.00 64.03 H new ATOM 0 HD23 LEU A 50 -12.961 -2.774 14.569 1.00 64.03 H new ATOM 825 N ILE A 51 -9.190 0.265 16.033 1.00 21.21 N ATOM 826 CA ILE A 51 -8.777 1.660 16.104 1.00 51.32 C ATOM 827 C ILE A 51 -8.165 2.124 14.784 1.00 51.43 C ATOM 828 O ILE A 51 -8.391 3.252 14.347 1.00 23.00 O ATOM 829 CB ILE A 51 -7.767 1.869 17.249 1.00 73.01 C ATOM 830 CG1 ILE A 51 -8.420 1.495 18.579 1.00 34.51 C ATOM 831 CG2 ILE A 51 -7.260 3.309 17.281 1.00 5.23 C ATOM 832 CD1 ILE A 51 -7.475 1.549 19.759 1.00 32.24 C ATOM 0 H ILE A 51 -8.579 -0.381 16.534 1.00 21.21 H new ATOM 0 HA ILE A 51 -9.667 2.257 16.300 1.00 51.32 H new ATOM 0 HB ILE A 51 -6.906 1.223 17.079 1.00 73.01 H new ATOM 0 HG12 ILE A 51 -9.257 2.168 18.764 1.00 34.51 H new ATOM 0 HG13 ILE A 51 -8.832 0.489 18.501 1.00 34.51 H new ATOM 0 HG21 ILE A 51 -6.549 3.426 18.099 1.00 5.23 H new ATOM 0 HG22 ILE A 51 -6.768 3.543 16.337 1.00 5.23 H new ATOM 0 HG23 ILE A 51 -8.100 3.987 17.430 1.00 5.23 H new ATOM 0 HD11 ILE A 51 -8.010 1.271 20.667 1.00 32.24 H new ATOM 0 HD12 ILE A 51 -6.651 0.855 19.597 1.00 32.24 H new ATOM 0 HD13 ILE A 51 -7.082 2.560 19.865 1.00 32.24 H new ATOM 844 N ASN A 52 -7.388 1.251 14.156 1.00 53.30 N ATOM 845 CA ASN A 52 -6.742 1.577 12.891 1.00 52.52 C ATOM 846 C ASN A 52 -7.735 1.512 11.732 1.00 23.31 C ATOM 847 O ASN A 52 -7.587 2.222 10.737 1.00 63.50 O ATOM 848 CB ASN A 52 -5.572 0.627 12.633 1.00 74.33 C ATOM 849 CG ASN A 52 -4.262 1.163 13.176 1.00 12.23 C ATOM 850 OD1 ASN A 52 -4.024 2.371 13.173 1.00 63.13 O ATOM 851 ND2 ASN A 52 -3.403 0.267 13.648 1.00 75.53 N ATOM 0 H ASN A 52 -7.190 0.312 14.502 1.00 53.30 H new ATOM 0 HA ASN A 52 -6.365 2.597 12.959 1.00 52.52 H new ATOM 0 HB2 ASN A 52 -5.784 -0.339 13.091 1.00 74.33 H new ATOM 0 HB3 ASN A 52 -5.475 0.457 11.561 1.00 74.33 H new ATOM 0 HD21 ASN A 52 -2.506 0.571 14.027 1.00 75.53 H new ATOM 0 HD22 ASN A 52 -3.640 -0.725 13.632 1.00 75.53 H new ATOM 858 N GLU A 53 -8.747 0.658 11.865 1.00 22.35 N ATOM 859 CA GLU A 53 -9.759 0.507 10.825 1.00 2.12 C ATOM 860 C GLU A 53 -10.877 1.533 10.988 1.00 0.01 C ATOM 861 O GLU A 53 -11.197 2.268 10.054 1.00 44.44 O ATOM 862 CB GLU A 53 -10.340 -0.907 10.846 1.00 54.44 C ATOM 863 CG GLU A 53 -11.009 -1.307 9.541 1.00 72.53 C ATOM 864 CD GLU A 53 -11.678 -2.664 9.618 1.00 60.14 C ATOM 865 OE1 GLU A 53 -11.063 -3.600 10.172 1.00 3.25 O ATOM 866 OE2 GLU A 53 -12.819 -2.793 9.125 1.00 64.12 O ATOM 0 H GLU A 53 -8.887 0.062 12.681 1.00 22.35 H new ATOM 0 HA GLU A 53 -9.276 0.679 9.863 1.00 2.12 H new ATOM 0 HB2 GLU A 53 -9.542 -1.616 11.068 1.00 54.44 H new ATOM 0 HB3 GLU A 53 -11.067 -0.981 11.655 1.00 54.44 H new ATOM 0 HG2 GLU A 53 -11.751 -0.555 9.273 1.00 72.53 H new ATOM 0 HG3 GLU A 53 -10.265 -1.318 8.745 1.00 72.53 H new ATOM 873 N LYS A 54 -11.465 1.583 12.180 1.00 2.21 N ATOM 874 CA LYS A 54 -12.544 2.529 12.455 1.00 51.31 C ATOM 875 C LYS A 54 -11.995 3.944 12.608 1.00 13.10 C ATOM 876 O LYS A 54 -12.756 4.910 12.674 1.00 20.24 O ATOM 877 CB LYS A 54 -13.308 2.130 13.723 1.00 24.31 C ATOM 878 CG LYS A 54 -14.308 1.002 13.512 1.00 71.11 C ATOM 879 CD LYS A 54 -13.621 -0.353 13.395 1.00 44.52 C ATOM 880 CE LYS A 54 -14.286 -1.228 12.344 1.00 52.22 C ATOM 881 NZ LYS A 54 -14.241 -0.610 10.989 1.00 54.31 N ATOM 0 H LYS A 54 -11.215 0.984 12.967 1.00 2.21 H new ATOM 0 HA LYS A 54 -13.231 2.506 11.609 1.00 51.31 H new ATOM 0 HB2 LYS A 54 -12.592 1.829 14.487 1.00 24.31 H new ATOM 0 HB3 LYS A 54 -13.836 3.003 14.107 1.00 24.31 H new ATOM 0 HG2 LYS A 54 -15.012 0.981 14.344 1.00 71.11 H new ATOM 0 HG3 LYS A 54 -14.887 1.195 12.609 1.00 71.11 H new ATOM 0 HD2 LYS A 54 -12.572 -0.209 13.138 1.00 44.52 H new ATOM 0 HD3 LYS A 54 -13.646 -0.859 14.360 1.00 44.52 H new ATOM 0 HE2 LYS A 54 -13.791 -2.199 12.316 1.00 52.22 H new ATOM 0 HE3 LYS A 54 -15.324 -1.407 12.626 1.00 52.22 H new ATOM 0 HZ1 LYS A 54 -15.198 -0.315 10.710 1.00 54.31 H new ATOM 0 HZ2 LYS A 54 -13.614 0.220 11.006 1.00 54.31 H new ATOM 0 HZ3 LYS A 54 -13.879 -1.303 10.303 1.00 54.31 H new ATOM 895 N LYS A 55 -10.671 4.064 12.668 1.00 43.42 N ATOM 896 CA LYS A 55 -10.025 5.362 12.815 1.00 74.11 C ATOM 897 C LYS A 55 -10.370 5.985 14.162 1.00 31.21 C ATOM 898 O LYS A 55 -10.999 7.040 14.229 1.00 5.25 O ATOM 899 CB LYS A 55 -10.445 6.295 11.677 1.00 72.23 C ATOM 900 CG LYS A 55 -10.224 5.698 10.294 1.00 12.00 C ATOM 901 CD LYS A 55 -11.455 5.845 9.411 1.00 1.15 C ATOM 902 CE LYS A 55 -11.173 6.726 8.204 1.00 24.22 C ATOM 903 NZ LYS A 55 -10.514 8.004 8.592 1.00 61.25 N ATOM 0 H LYS A 55 -10.025 3.276 12.617 1.00 43.42 H new ATOM 0 HA LYS A 55 -8.946 5.216 12.770 1.00 74.11 H new ATOM 0 HB2 LYS A 55 -11.500 6.545 11.792 1.00 72.23 H new ATOM 0 HB3 LYS A 55 -9.886 7.227 11.756 1.00 72.23 H new ATOM 0 HG2 LYS A 55 -9.375 6.188 9.818 1.00 12.00 H new ATOM 0 HG3 LYS A 55 -9.970 4.642 10.390 1.00 12.00 H new ATOM 0 HD2 LYS A 55 -11.783 4.861 9.076 1.00 1.15 H new ATOM 0 HD3 LYS A 55 -12.272 6.273 9.992 1.00 1.15 H new ATOM 0 HE2 LYS A 55 -10.536 6.187 7.502 1.00 24.22 H new ATOM 0 HE3 LYS A 55 -12.107 6.942 7.686 1.00 24.22 H new ATOM 0 HZ1 LYS A 55 -10.808 8.758 7.939 1.00 61.25 H new ATOM 0 HZ2 LYS A 55 -10.792 8.258 9.561 1.00 61.25 H new ATOM 0 HZ3 LYS A 55 -9.481 7.890 8.547 1.00 61.25 H new ATOM 917 N LEU A 56 -9.951 5.322 15.236 1.00 30.41 N ATOM 918 CA LEU A 56 -10.213 5.803 16.584 1.00 52.41 C ATOM 919 C LEU A 56 -9.044 6.640 17.101 1.00 51.14 C ATOM 920 O LEU A 56 -8.100 6.927 16.365 1.00 44.51 O ATOM 921 CB LEU A 56 -10.469 4.614 17.510 1.00 75.54 C ATOM 922 CG LEU A 56 -11.772 3.860 17.238 1.00 34.35 C ATOM 923 CD1 LEU A 56 -11.979 2.764 18.269 1.00 32.03 C ATOM 924 CD2 LEU A 56 -12.952 4.823 17.229 1.00 14.14 C ATOM 0 H LEU A 56 -9.427 4.448 15.196 1.00 30.41 H new ATOM 0 HA LEU A 56 -11.097 6.440 16.564 1.00 52.41 H new ATOM 0 HB2 LEU A 56 -9.636 3.916 17.421 1.00 75.54 H new ATOM 0 HB3 LEU A 56 -10.479 4.969 18.540 1.00 75.54 H new ATOM 0 HG LEU A 56 -11.704 3.394 16.255 1.00 34.35 H new ATOM 0 HD11 LEU A 56 -12.911 2.239 18.059 1.00 32.03 H new ATOM 0 HD12 LEU A 56 -11.148 2.060 18.224 1.00 32.03 H new ATOM 0 HD13 LEU A 56 -12.027 3.205 19.264 1.00 32.03 H new ATOM 0 HD21 LEU A 56 -13.871 4.270 17.034 1.00 14.14 H new ATOM 0 HD22 LEU A 56 -13.025 5.318 18.197 1.00 14.14 H new ATOM 0 HD23 LEU A 56 -12.806 5.570 16.449 1.00 14.14 H new ATOM 936 N ASN A 57 -9.117 7.028 18.370 1.00 32.03 N ATOM 937 CA ASN A 57 -8.071 7.831 18.994 1.00 20.43 C ATOM 938 C ASN A 57 -8.077 7.629 20.507 1.00 1.23 C ATOM 939 O ASN A 57 -8.933 8.163 21.213 1.00 1.02 O ATOM 940 CB ASN A 57 -8.269 9.310 18.662 1.00 15.31 C ATOM 941 CG ASN A 57 -6.954 10.037 18.460 1.00 61.42 C ATOM 942 OD1 ASN A 57 -6.122 10.103 19.364 1.00 54.21 O ATOM 943 ND2 ASN A 57 -6.762 10.588 17.267 1.00 70.12 N ATOM 0 H ASN A 57 -9.894 6.798 18.989 1.00 32.03 H new ATOM 0 HA ASN A 57 -7.107 7.508 18.601 1.00 20.43 H new ATOM 0 HB2 ASN A 57 -8.873 9.399 17.759 1.00 15.31 H new ATOM 0 HB3 ASN A 57 -8.826 9.789 19.467 1.00 15.31 H new ATOM 0 HD21 ASN A 57 -5.897 11.091 17.071 1.00 70.12 H new ATOM 0 HD22 ASN A 57 -7.480 10.508 16.547 1.00 70.12 H new ATOM 950 N MET A 58 -7.118 6.848 20.997 1.00 5.10 N ATOM 951 CA MET A 58 -7.013 6.564 22.427 1.00 4.22 C ATOM 952 C MET A 58 -6.886 7.848 23.241 1.00 4.32 C ATOM 953 O MET A 58 -7.185 7.865 24.436 1.00 31.45 O ATOM 954 CB MET A 58 -5.821 5.642 22.713 1.00 30.22 C ATOM 955 CG MET A 58 -4.591 5.938 21.868 1.00 34.55 C ATOM 956 SD MET A 58 -4.161 4.580 20.760 1.00 24.45 S ATOM 957 CE MET A 58 -5.718 4.310 19.916 1.00 24.34 C ATOM 0 H MET A 58 -6.402 6.400 20.425 1.00 5.10 H new ATOM 0 HA MET A 58 -7.930 6.058 22.728 1.00 4.22 H new ATOM 0 HB2 MET A 58 -5.554 5.727 23.766 1.00 30.22 H new ATOM 0 HB3 MET A 58 -6.125 4.609 22.544 1.00 30.22 H new ATOM 0 HG2 MET A 58 -4.768 6.839 21.280 1.00 34.55 H new ATOM 0 HG3 MET A 58 -3.746 6.147 22.525 1.00 34.55 H new ATOM 0 HE1 MET A 58 -5.712 3.326 19.448 1.00 24.34 H new ATOM 0 HE2 MET A 58 -6.536 4.366 20.635 1.00 24.34 H new ATOM 0 HE3 MET A 58 -5.855 5.074 19.151 1.00 24.34 H new ATOM 967 N MET A 59 -6.446 8.921 22.594 1.00 1.01 N ATOM 968 CA MET A 59 -6.289 10.202 23.272 1.00 74.53 C ATOM 969 C MET A 59 -7.633 10.915 23.404 1.00 71.54 C ATOM 970 O MET A 59 -7.794 11.803 24.242 1.00 44.32 O ATOM 971 CB MET A 59 -5.293 11.088 22.516 1.00 2.02 C ATOM 972 CG MET A 59 -4.010 11.356 23.290 1.00 24.22 C ATOM 973 SD MET A 59 -3.461 13.069 23.157 1.00 11.43 S ATOM 974 CE MET A 59 -1.954 13.017 24.122 1.00 3.04 C ATOM 0 H MET A 59 -6.193 8.930 21.606 1.00 1.01 H new ATOM 0 HA MET A 59 -5.901 10.011 24.273 1.00 74.53 H new ATOM 0 HB2 MET A 59 -5.043 10.613 21.567 1.00 2.02 H new ATOM 0 HB3 MET A 59 -5.771 12.039 22.280 1.00 2.02 H new ATOM 0 HG2 MET A 59 -4.166 11.109 24.340 1.00 24.22 H new ATOM 0 HG3 MET A 59 -3.224 10.697 22.921 1.00 24.22 H new ATOM 0 HE1 MET A 59 -1.496 14.006 24.134 1.00 3.04 H new ATOM 0 HE2 MET A 59 -2.186 12.712 25.142 1.00 3.04 H new ATOM 0 HE3 MET A 59 -1.262 12.302 23.678 1.00 3.04 H new ATOM 984 N ASN A 60 -8.596 10.520 22.577 1.00 72.24 N ATOM 985 CA ASN A 60 -9.925 11.119 22.607 1.00 13.25 C ATOM 986 C ASN A 60 -10.894 10.246 23.398 1.00 2.34 C ATOM 987 O ASN A 60 -11.062 9.062 23.103 1.00 73.54 O ATOM 988 CB ASN A 60 -10.447 11.322 21.184 1.00 54.23 C ATOM 989 CG ASN A 60 -11.661 12.228 21.138 1.00 60.15 C ATOM 990 OD1 ASN A 60 -11.824 13.111 21.981 1.00 45.25 O ATOM 991 ND2 ASN A 60 -12.522 12.013 20.151 1.00 43.22 N ATOM 0 H ASN A 60 -8.480 9.787 21.877 1.00 72.24 H new ATOM 0 HA ASN A 60 -9.851 12.088 23.100 1.00 13.25 H new ATOM 0 HB2 ASN A 60 -9.656 11.748 20.567 1.00 54.23 H new ATOM 0 HB3 ASN A 60 -10.702 10.354 20.752 1.00 54.23 H new ATOM 0 HD21 ASN A 60 -13.359 12.591 20.069 1.00 43.22 H new ATOM 0 HD22 ASN A 60 -12.347 11.270 19.474 1.00 43.22 H new ATOM 998 N ALA A 61 -11.529 10.837 24.405 1.00 10.14 N ATOM 999 CA ALA A 61 -12.480 10.111 25.240 1.00 75.00 C ATOM 1000 C ALA A 61 -13.661 9.604 24.418 1.00 54.22 C ATOM 1001 O ALA A 61 -14.222 8.547 24.707 1.00 53.14 O ATOM 1002 CB ALA A 61 -12.965 10.999 26.376 1.00 34.33 C ATOM 0 H ALA A 61 -11.403 11.816 24.663 1.00 10.14 H new ATOM 0 HA ALA A 61 -11.970 9.245 25.661 1.00 75.00 H new ATOM 0 HB1 ALA A 61 -13.674 10.446 26.992 1.00 34.33 H new ATOM 0 HB2 ALA A 61 -12.116 11.305 26.986 1.00 34.33 H new ATOM 0 HB3 ALA A 61 -13.453 11.882 25.964 1.00 34.33 H new ATOM 1008 N GLU A 62 -14.034 10.364 23.394 1.00 55.43 N ATOM 1009 CA GLU A 62 -15.150 9.993 22.530 1.00 72.21 C ATOM 1010 C GLU A 62 -14.881 8.667 21.829 1.00 14.54 C ATOM 1011 O GLU A 62 -15.788 7.854 21.645 1.00 50.50 O ATOM 1012 CB GLU A 62 -15.403 11.091 21.492 1.00 2.31 C ATOM 1013 CG GLU A 62 -16.758 11.762 21.635 1.00 22.12 C ATOM 1014 CD GLU A 62 -16.651 13.268 21.775 1.00 43.31 C ATOM 1015 OE1 GLU A 62 -16.576 13.956 20.736 1.00 50.21 O ATOM 1016 OE2 GLU A 62 -16.644 13.759 22.923 1.00 1.12 O ATOM 0 H GLU A 62 -13.580 11.242 23.141 1.00 55.43 H new ATOM 0 HA GLU A 62 -16.037 9.878 23.153 1.00 72.21 H new ATOM 0 HB2 GLU A 62 -14.622 11.847 21.577 1.00 2.31 H new ATOM 0 HB3 GLU A 62 -15.323 10.661 20.494 1.00 2.31 H new ATOM 0 HG2 GLU A 62 -17.371 11.524 20.765 1.00 22.12 H new ATOM 0 HG3 GLU A 62 -17.271 11.355 22.507 1.00 22.12 H new ATOM 1023 N HIS A 63 -13.629 8.452 21.443 1.00 50.11 N ATOM 1024 CA HIS A 63 -13.240 7.221 20.766 1.00 60.41 C ATOM 1025 C HIS A 63 -12.921 6.126 21.776 1.00 12.50 C ATOM 1026 O HIS A 63 -13.254 4.959 21.569 1.00 40.22 O ATOM 1027 CB HIS A 63 -12.035 7.464 19.864 1.00 24.44 C ATOM 1028 CG HIS A 63 -12.357 8.254 18.637 1.00 10.20 C ATOM 1029 ND1 HIS A 63 -11.447 8.477 17.627 1.00 53.10 N ATOM 1030 CD2 HIS A 63 -13.498 8.876 18.256 1.00 33.45 C ATOM 1031 CE1 HIS A 63 -12.009 9.200 16.678 1.00 31.32 C ATOM 1032 NE2 HIS A 63 -13.255 9.457 17.035 1.00 33.54 N ATOM 0 H HIS A 63 -12.866 9.114 21.587 1.00 50.11 H new ATOM 0 HA HIS A 63 -14.080 6.894 20.152 1.00 60.41 H new ATOM 0 HB2 HIS A 63 -11.266 7.988 20.432 1.00 24.44 H new ATOM 0 HB3 HIS A 63 -11.614 6.503 19.568 1.00 24.44 H new ATOM 0 HD2 HIS A 63 -14.425 8.909 18.809 1.00 33.45 H new ATOM 0 HE1 HIS A 63 -11.532 9.526 15.765 1.00 31.32 H new ATOM 0 HE2 HIS A 63 -13.927 9.999 16.492 1.00 33.54 H new ATOM 1040 N ARG A 64 -12.276 6.511 22.874 1.00 13.31 N ATOM 1041 CA ARG A 64 -11.918 5.561 23.921 1.00 25.03 C ATOM 1042 C ARG A 64 -13.140 4.756 24.347 1.00 71.40 C ATOM 1043 O ARG A 64 -13.080 3.533 24.472 1.00 61.24 O ATOM 1044 CB ARG A 64 -11.328 6.290 25.128 1.00 40.44 C ATOM 1045 CG ARG A 64 -10.323 5.460 25.909 1.00 33.11 C ATOM 1046 CD ARG A 64 -8.934 5.543 25.298 1.00 61.24 C ATOM 1047 NE ARG A 64 -8.274 4.239 25.250 1.00 14.00 N ATOM 1048 CZ ARG A 64 -8.257 3.446 24.178 1.00 25.11 C ATOM 1049 NH1 ARG A 64 -8.860 3.817 23.053 1.00 63.42 N ATOM 1050 NH2 ARG A 64 -7.633 2.278 24.231 1.00 33.54 N ATOM 0 H ARG A 64 -11.991 7.473 23.061 1.00 13.31 H new ATOM 0 HA ARG A 64 -11.167 4.879 23.522 1.00 25.03 H new ATOM 0 HB2 ARG A 64 -10.844 7.206 24.788 1.00 40.44 H new ATOM 0 HB3 ARG A 64 -12.138 6.586 25.795 1.00 40.44 H new ATOM 0 HG2 ARG A 64 -10.288 5.807 26.942 1.00 33.11 H new ATOM 0 HG3 ARG A 64 -10.649 4.420 25.933 1.00 33.11 H new ATOM 0 HD2 ARG A 64 -9.006 5.949 24.289 1.00 61.24 H new ATOM 0 HD3 ARG A 64 -8.324 6.236 25.878 1.00 61.24 H new ATOM 0 HE ARG A 64 -7.796 3.915 26.091 1.00 14.00 H new ATOM 0 HH11 ARG A 64 -9.341 4.715 23.004 1.00 63.42 H new ATOM 0 HH12 ARG A 64 -8.842 3.204 22.238 1.00 63.42 H new ATOM 0 HH21 ARG A 64 -7.167 1.987 25.091 1.00 33.54 H new ATOM 0 HH22 ARG A 64 -7.619 1.670 23.412 1.00 33.54 H new ATOM 1064 N LYS A 65 -14.253 5.455 24.557 1.00 13.21 N ATOM 1065 CA LYS A 65 -15.495 4.806 24.953 1.00 31.33 C ATOM 1066 C LYS A 65 -16.045 3.965 23.806 1.00 61.24 C ATOM 1067 O LYS A 65 -16.812 3.029 24.021 1.00 33.24 O ATOM 1068 CB LYS A 65 -16.529 5.847 25.389 1.00 52.43 C ATOM 1069 CG LYS A 65 -16.901 6.833 24.295 1.00 2.34 C ATOM 1070 CD LYS A 65 -18.391 7.140 24.305 1.00 51.14 C ATOM 1071 CE LYS A 65 -18.883 7.573 22.935 1.00 42.14 C ATOM 1072 NZ LYS A 65 -20.075 6.793 22.501 1.00 60.30 N ATOM 0 H LYS A 65 -14.318 6.468 24.459 1.00 13.21 H new ATOM 0 HA LYS A 65 -15.286 4.150 25.798 1.00 31.33 H new ATOM 0 HB2 LYS A 65 -17.430 5.333 25.724 1.00 52.43 H new ATOM 0 HB3 LYS A 65 -16.139 6.398 26.245 1.00 52.43 H new ATOM 0 HG2 LYS A 65 -16.337 7.756 24.429 1.00 2.34 H new ATOM 0 HG3 LYS A 65 -16.619 6.425 23.324 1.00 2.34 H new ATOM 0 HD2 LYS A 65 -18.943 6.257 24.628 1.00 51.14 H new ATOM 0 HD3 LYS A 65 -18.596 7.927 25.031 1.00 51.14 H new ATOM 0 HE2 LYS A 65 -19.132 8.634 22.957 1.00 42.14 H new ATOM 0 HE3 LYS A 65 -18.083 7.449 22.206 1.00 42.14 H new ATOM 0 HZ1 LYS A 65 -20.380 7.119 21.562 1.00 60.30 H new ATOM 0 HZ2 LYS A 65 -19.831 5.783 22.455 1.00 60.30 H new ATOM 0 HZ3 LYS A 65 -20.848 6.932 23.183 1.00 60.30 H new ATOM 1086 N LEU A 66 -15.637 4.296 22.583 1.00 15.23 N ATOM 1087 CA LEU A 66 -16.083 3.556 21.410 1.00 65.44 C ATOM 1088 C LEU A 66 -15.479 2.160 21.419 1.00 64.34 C ATOM 1089 O LEU A 66 -16.129 1.185 21.046 1.00 43.34 O ATOM 1090 CB LEU A 66 -15.690 4.286 20.127 1.00 3.13 C ATOM 1091 CG LEU A 66 -16.662 4.097 18.960 1.00 44.22 C ATOM 1092 CD1 LEU A 66 -17.191 5.440 18.483 1.00 44.03 C ATOM 1093 CD2 LEU A 66 -15.990 3.349 17.817 1.00 64.02 C ATOM 0 H LEU A 66 -15.002 5.068 22.381 1.00 15.23 H new ATOM 0 HA LEU A 66 -17.170 3.479 21.443 1.00 65.44 H new ATOM 0 HB2 LEU A 66 -15.605 5.351 20.343 1.00 3.13 H new ATOM 0 HB3 LEU A 66 -14.702 3.944 19.818 1.00 3.13 H new ATOM 0 HG LEU A 66 -17.505 3.501 19.309 1.00 44.22 H new ATOM 0 HD11 LEU A 66 -17.880 5.285 17.653 1.00 44.03 H new ATOM 0 HD12 LEU A 66 -17.713 5.937 19.301 1.00 44.03 H new ATOM 0 HD13 LEU A 66 -16.359 6.062 18.153 1.00 44.03 H new ATOM 0 HD21 LEU A 66 -16.698 3.225 16.997 1.00 64.02 H new ATOM 0 HD22 LEU A 66 -15.127 3.916 17.468 1.00 64.02 H new ATOM 0 HD23 LEU A 66 -15.663 2.369 18.166 1.00 64.02 H new ATOM 1105 N LEU A 67 -14.229 2.071 21.865 1.00 63.34 N ATOM 1106 CA LEU A 67 -13.542 0.792 21.943 1.00 22.20 C ATOM 1107 C LEU A 67 -14.191 -0.074 23.009 1.00 1.33 C ATOM 1108 O LEU A 67 -14.492 -1.245 22.779 1.00 4.11 O ATOM 1109 CB LEU A 67 -12.063 0.995 22.265 1.00 1.32 C ATOM 1110 CG LEU A 67 -11.130 -0.066 21.686 1.00 21.52 C ATOM 1111 CD1 LEU A 67 -10.555 0.397 20.362 1.00 44.30 C ATOM 1112 CD2 LEU A 67 -10.018 -0.385 22.669 1.00 25.32 C ATOM 0 H LEU A 67 -13.675 2.869 22.176 1.00 63.34 H new ATOM 0 HA LEU A 67 -13.619 0.294 20.976 1.00 22.20 H new ATOM 0 HB2 LEU A 67 -11.755 1.972 21.892 1.00 1.32 H new ATOM 0 HB3 LEU A 67 -11.941 1.014 23.348 1.00 1.32 H new ATOM 0 HG LEU A 67 -11.706 -0.975 21.510 1.00 21.52 H new ATOM 0 HD11 LEU A 67 -9.893 -0.372 19.964 1.00 44.30 H new ATOM 0 HD12 LEU A 67 -11.366 0.578 19.656 1.00 44.30 H new ATOM 0 HD13 LEU A 67 -9.992 1.319 20.512 1.00 44.30 H new ATOM 0 HD21 LEU A 67 -9.361 -1.143 22.242 1.00 25.32 H new ATOM 0 HD22 LEU A 67 -9.444 0.518 22.875 1.00 25.32 H new ATOM 0 HD23 LEU A 67 -10.449 -0.760 23.597 1.00 25.32 H new ATOM 1124 N GLU A 68 -14.421 0.522 24.175 1.00 45.01 N ATOM 1125 CA GLU A 68 -15.056 -0.185 25.274 1.00 31.11 C ATOM 1126 C GLU A 68 -16.447 -0.660 24.855 1.00 33.44 C ATOM 1127 O GLU A 68 -16.985 -1.616 25.414 1.00 63.34 O ATOM 1128 CB GLU A 68 -15.132 0.718 26.518 1.00 31.53 C ATOM 1129 CG GLU A 68 -16.464 1.436 26.696 1.00 52.31 C ATOM 1130 CD GLU A 68 -16.378 2.588 27.676 1.00 75.24 C ATOM 1131 OE1 GLU A 68 -15.501 2.548 28.566 1.00 60.33 O ATOM 1132 OE2 GLU A 68 -17.187 3.533 27.556 1.00 41.25 O ATOM 0 H GLU A 68 -14.177 1.491 24.380 1.00 45.01 H new ATOM 0 HA GLU A 68 -14.457 -1.059 25.529 1.00 31.11 H new ATOM 0 HB2 GLU A 68 -14.939 0.112 27.403 1.00 31.53 H new ATOM 0 HB3 GLU A 68 -14.337 1.462 26.461 1.00 31.53 H new ATOM 0 HG2 GLU A 68 -16.803 1.810 25.730 1.00 52.31 H new ATOM 0 HG3 GLU A 68 -17.213 0.724 27.043 1.00 52.31 H new ATOM 1139 N GLN A 69 -17.014 0.015 23.858 1.00 45.54 N ATOM 1140 CA GLN A 69 -18.330 -0.330 23.344 1.00 31.33 C ATOM 1141 C GLN A 69 -18.250 -1.588 22.485 1.00 54.04 C ATOM 1142 O GLN A 69 -19.058 -2.505 22.632 1.00 73.31 O ATOM 1143 CB GLN A 69 -18.900 0.831 22.522 1.00 42.43 C ATOM 1144 CG GLN A 69 -20.248 0.525 21.881 1.00 52.05 C ATOM 1145 CD GLN A 69 -21.416 0.930 22.757 1.00 70.01 C ATOM 1146 OE1 GLN A 69 -22.086 1.929 22.495 1.00 75.11 O ATOM 1147 NE2 GLN A 69 -21.669 0.153 23.804 1.00 70.13 N ATOM 0 H GLN A 69 -16.576 0.809 23.390 1.00 45.54 H new ATOM 0 HA GLN A 69 -18.992 -0.522 24.188 1.00 31.33 H new ATOM 0 HB2 GLN A 69 -19.004 1.704 23.166 1.00 42.43 H new ATOM 0 HB3 GLN A 69 -18.188 1.095 21.740 1.00 42.43 H new ATOM 0 HG2 GLN A 69 -20.318 1.045 20.926 1.00 52.05 H new ATOM 0 HG3 GLN A 69 -20.311 -0.542 21.669 1.00 52.05 H new ATOM 0 HE21 GLN A 69 -21.088 -0.666 23.984 1.00 70.13 H new ATOM 0 HE22 GLN A 69 -22.444 0.375 24.428 1.00 70.13 H new ATOM 1156 N GLU A 70 -17.264 -1.626 21.591 1.00 3.11 N ATOM 1157 CA GLU A 70 -17.076 -2.774 20.714 1.00 33.15 C ATOM 1158 C GLU A 70 -16.611 -3.986 21.512 1.00 4.01 C ATOM 1159 O GLU A 70 -17.085 -5.103 21.299 1.00 44.01 O ATOM 1160 CB GLU A 70 -16.059 -2.447 19.618 1.00 60.04 C ATOM 1161 CG GLU A 70 -16.507 -1.334 18.684 1.00 12.23 C ATOM 1162 CD GLU A 70 -15.340 -0.604 18.049 1.00 62.35 C ATOM 1163 OE1 GLU A 70 -14.453 -0.140 18.795 1.00 22.20 O ATOM 1164 OE2 GLU A 70 -15.313 -0.498 16.804 1.00 42.42 O ATOM 0 H GLU A 70 -16.586 -0.876 21.457 1.00 3.11 H new ATOM 0 HA GLU A 70 -18.033 -3.009 20.248 1.00 33.15 H new ATOM 0 HB2 GLU A 70 -15.115 -2.162 20.083 1.00 60.04 H new ATOM 0 HB3 GLU A 70 -15.867 -3.346 19.032 1.00 60.04 H new ATOM 0 HG2 GLU A 70 -17.138 -1.753 17.901 1.00 12.23 H new ATOM 0 HG3 GLU A 70 -17.118 -0.622 19.239 1.00 12.23 H new ATOM 1171 N MET A 71 -15.674 -3.758 22.429 1.00 72.11 N ATOM 1172 CA MET A 71 -15.137 -4.832 23.259 1.00 42.11 C ATOM 1173 C MET A 71 -16.257 -5.683 23.857 1.00 0.22 C ATOM 1174 O MET A 71 -16.196 -6.910 23.817 1.00 15.12 O ATOM 1175 CB MET A 71 -14.233 -4.254 24.359 1.00 44.14 C ATOM 1176 CG MET A 71 -14.835 -4.286 25.756 1.00 2.34 C ATOM 1177 SD MET A 71 -13.829 -3.408 26.962 1.00 23.31 S ATOM 1178 CE MET A 71 -15.085 -2.415 27.760 1.00 23.35 C ATOM 0 H MET A 71 -15.271 -2.840 22.616 1.00 72.11 H new ATOM 0 HA MET A 71 -14.535 -5.484 22.626 1.00 42.11 H new ATOM 0 HB2 MET A 71 -13.295 -4.809 24.369 1.00 44.14 H new ATOM 0 HB3 MET A 71 -13.990 -3.222 24.106 1.00 44.14 H new ATOM 0 HG2 MET A 71 -15.831 -3.844 25.729 1.00 2.34 H new ATOM 0 HG3 MET A 71 -14.954 -5.322 26.073 1.00 2.34 H new ATOM 0 HE1 MET A 71 -14.633 -1.833 28.563 1.00 23.35 H new ATOM 0 HE2 MET A 71 -15.533 -1.740 27.031 1.00 23.35 H new ATOM 0 HE3 MET A 71 -15.855 -3.066 28.173 1.00 23.35 H new ATOM 1188 N VAL A 72 -17.285 -5.032 24.403 1.00 73.42 N ATOM 1189 CA VAL A 72 -18.409 -5.756 24.989 1.00 11.44 C ATOM 1190 C VAL A 72 -18.978 -6.738 23.981 1.00 55.10 C ATOM 1191 O VAL A 72 -19.022 -7.942 24.220 1.00 31.33 O ATOM 1192 CB VAL A 72 -19.532 -4.799 25.449 1.00 43.11 C ATOM 1193 CG1 VAL A 72 -20.751 -5.572 25.952 1.00 1.44 C ATOM 1194 CG2 VAL A 72 -19.017 -3.853 26.521 1.00 54.21 C ATOM 0 H VAL A 72 -17.361 -4.016 24.451 1.00 73.42 H new ATOM 0 HA VAL A 72 -18.032 -6.288 25.862 1.00 11.44 H new ATOM 0 HB VAL A 72 -19.846 -4.211 24.587 1.00 43.11 H new ATOM 0 HG11 VAL A 72 -21.522 -4.870 26.268 1.00 1.44 H new ATOM 0 HG12 VAL A 72 -21.139 -6.201 25.151 1.00 1.44 H new ATOM 0 HG13 VAL A 72 -20.462 -6.198 26.797 1.00 1.44 H new ATOM 0 HG21 VAL A 72 -19.820 -3.186 26.834 1.00 54.21 H new ATOM 0 HG22 VAL A 72 -18.669 -4.429 27.378 1.00 54.21 H new ATOM 0 HG23 VAL A 72 -18.192 -3.264 26.121 1.00 54.21 H new ATOM 1204 N ASN A 73 -19.395 -6.211 22.841 1.00 64.34 N ATOM 1205 CA ASN A 73 -19.950 -7.035 21.772 1.00 33.53 C ATOM 1206 C ASN A 73 -19.021 -8.203 21.441 1.00 45.13 C ATOM 1207 O ASN A 73 -19.445 -9.197 20.850 1.00 11.01 O ATOM 1208 CB ASN A 73 -20.190 -6.184 20.522 1.00 64.34 C ATOM 1209 CG ASN A 73 -21.591 -6.351 19.968 1.00 32.25 C ATOM 1210 OD1 ASN A 73 -21.779 -6.885 18.874 1.00 4.54 O ATOM 1211 ND2 ASN A 73 -22.584 -5.892 20.720 1.00 43.31 N ATOM 0 H ASN A 73 -19.361 -5.214 22.629 1.00 64.34 H new ATOM 0 HA ASN A 73 -20.901 -7.443 22.116 1.00 33.53 H new ATOM 0 HB2 ASN A 73 -20.020 -5.134 20.763 1.00 64.34 H new ATOM 0 HB3 ASN A 73 -19.465 -6.457 19.756 1.00 64.34 H new ATOM 0 HD21 ASN A 73 -23.548 -5.975 20.398 1.00 43.31 H new ATOM 0 HD22 ASN A 73 -22.383 -5.456 21.620 1.00 43.31 H new ATOM 1218 N PHE A 74 -17.750 -8.073 21.819 1.00 74.22 N ATOM 1219 CA PHE A 74 -16.763 -9.111 21.561 1.00 43.41 C ATOM 1220 C PHE A 74 -16.603 -10.041 22.764 1.00 53.44 C ATOM 1221 O PHE A 74 -16.635 -11.264 22.622 1.00 24.31 O ATOM 1222 CB PHE A 74 -15.416 -8.473 21.215 1.00 54.04 C ATOM 1223 CG PHE A 74 -14.454 -9.413 20.546 1.00 3.15 C ATOM 1224 CD1 PHE A 74 -14.669 -9.835 19.244 1.00 23.30 C ATOM 1225 CD2 PHE A 74 -13.335 -9.873 21.219 1.00 73.25 C ATOM 1226 CE1 PHE A 74 -13.785 -10.699 18.626 1.00 1.20 C ATOM 1227 CE2 PHE A 74 -12.445 -10.735 20.606 1.00 32.35 C ATOM 1228 CZ PHE A 74 -12.672 -11.149 19.308 1.00 14.42 C ATOM 0 H PHE A 74 -17.383 -7.255 22.306 1.00 74.22 H new ATOM 0 HA PHE A 74 -17.113 -9.707 20.718 1.00 43.41 H new ATOM 0 HB2 PHE A 74 -15.587 -7.617 20.562 1.00 54.04 H new ATOM 0 HB3 PHE A 74 -14.960 -8.091 22.128 1.00 54.04 H new ATOM 0 HD1 PHE A 74 -15.537 -9.485 18.706 1.00 23.30 H new ATOM 0 HD2 PHE A 74 -13.155 -9.555 22.235 1.00 73.25 H new ATOM 0 HE1 PHE A 74 -13.964 -11.022 17.611 1.00 1.20 H new ATOM 0 HE2 PHE A 74 -11.574 -11.084 21.141 1.00 32.35 H new ATOM 0 HZ PHE A 74 -11.980 -11.824 18.827 1.00 14.42 H new ATOM 1238 N LEU A 75 -16.410 -9.458 23.946 1.00 52.12 N ATOM 1239 CA LEU A 75 -16.222 -10.239 25.166 1.00 13.42 C ATOM 1240 C LEU A 75 -17.479 -10.264 26.039 1.00 31.53 C ATOM 1241 O LEU A 75 -17.884 -11.320 26.525 1.00 14.55 O ATOM 1242 CB LEU A 75 -15.047 -9.678 25.974 1.00 43.21 C ATOM 1243 CG LEU A 75 -13.834 -9.243 25.142 1.00 43.31 C ATOM 1244 CD1 LEU A 75 -13.409 -7.829 25.513 1.00 63.10 C ATOM 1245 CD2 LEU A 75 -12.680 -10.215 25.332 1.00 74.13 C ATOM 0 H LEU A 75 -16.380 -8.448 24.084 1.00 52.12 H new ATOM 0 HA LEU A 75 -16.010 -11.264 24.862 1.00 13.42 H new ATOM 0 HB2 LEU A 75 -15.398 -8.822 26.550 1.00 43.21 H new ATOM 0 HB3 LEU A 75 -14.725 -10.434 26.690 1.00 43.21 H new ATOM 0 HG LEU A 75 -14.119 -9.250 24.090 1.00 43.31 H new ATOM 0 HD11 LEU A 75 -12.547 -7.539 24.912 1.00 63.10 H new ATOM 0 HD12 LEU A 75 -14.232 -7.140 25.324 1.00 63.10 H new ATOM 0 HD13 LEU A 75 -13.143 -7.794 26.569 1.00 63.10 H new ATOM 0 HD21 LEU A 75 -11.828 -9.890 24.734 1.00 74.13 H new ATOM 0 HD22 LEU A 75 -12.396 -10.241 26.384 1.00 74.13 H new ATOM 0 HD23 LEU A 75 -12.987 -11.211 25.014 1.00 74.13 H new ATOM 1257 N PHE A 76 -18.081 -9.097 26.249 1.00 73.34 N ATOM 1258 CA PHE A 76 -19.278 -8.989 27.083 1.00 61.03 C ATOM 1259 C PHE A 76 -20.553 -9.040 26.262 1.00 53.21 C ATOM 1260 O PHE A 76 -21.571 -8.465 26.647 1.00 1.11 O ATOM 1261 CB PHE A 76 -19.260 -7.689 27.851 1.00 51.14 C ATOM 1262 CG PHE A 76 -18.167 -7.627 28.855 1.00 33.21 C ATOM 1263 CD1 PHE A 76 -16.913 -7.178 28.492 1.00 2.43 C ATOM 1264 CD2 PHE A 76 -18.387 -8.035 30.157 1.00 44.41 C ATOM 1265 CE1 PHE A 76 -15.893 -7.131 29.416 1.00 14.30 C ATOM 1266 CE2 PHE A 76 -17.373 -7.992 31.084 1.00 73.25 C ATOM 1267 CZ PHE A 76 -16.127 -7.541 30.714 1.00 10.35 C ATOM 0 H PHE A 76 -17.761 -8.212 25.854 1.00 73.34 H new ATOM 0 HA PHE A 76 -19.267 -9.840 27.764 1.00 61.03 H new ATOM 0 HB2 PHE A 76 -19.151 -6.861 27.151 1.00 51.14 H new ATOM 0 HB3 PHE A 76 -20.218 -7.557 28.355 1.00 51.14 H new ATOM 0 HD1 PHE A 76 -16.731 -6.861 27.476 1.00 2.43 H new ATOM 0 HD2 PHE A 76 -19.364 -8.391 30.449 1.00 44.41 H new ATOM 0 HE1 PHE A 76 -14.915 -6.775 29.127 1.00 14.30 H new ATOM 0 HE2 PHE A 76 -17.554 -8.311 32.100 1.00 73.25 H new ATOM 0 HZ PHE A 76 -15.329 -7.507 31.441 1.00 10.35 H new ATOM 1277 N GLU A 77 -20.489 -9.708 25.132 1.00 54.11 N ATOM 1278 CA GLU A 77 -21.636 -9.824 24.242 1.00 1.24 C ATOM 1279 C GLU A 77 -22.727 -10.681 24.873 1.00 64.35 C ATOM 1280 O GLU A 77 -23.132 -11.704 24.319 1.00 22.34 O ATOM 1281 CB GLU A 77 -21.207 -10.423 22.903 1.00 71.23 C ATOM 1282 CG GLU A 77 -22.128 -10.060 21.750 1.00 55.43 C ATOM 1283 CD GLU A 77 -22.282 -11.187 20.750 1.00 0.31 C ATOM 1284 OE1 GLU A 77 -22.287 -12.361 21.176 1.00 30.04 O ATOM 1285 OE2 GLU A 77 -22.396 -10.896 19.541 1.00 31.00 O ATOM 0 H GLU A 77 -19.650 -10.185 24.801 1.00 54.11 H new ATOM 0 HA GLU A 77 -22.038 -8.825 24.072 1.00 1.24 H new ATOM 0 HB2 GLU A 77 -20.197 -10.085 22.670 1.00 71.23 H new ATOM 0 HB3 GLU A 77 -21.166 -11.508 22.997 1.00 71.23 H new ATOM 0 HG2 GLU A 77 -23.108 -9.792 22.144 1.00 55.43 H new ATOM 0 HG3 GLU A 77 -21.737 -9.179 21.241 1.00 55.43 H new ATOM 1292 N GLY A 78 -23.198 -10.256 26.037 1.00 23.53 N ATOM 1293 CA GLY A 78 -24.233 -10.986 26.735 1.00 62.55 C ATOM 1294 C GLY A 78 -24.804 -10.203 27.899 1.00 72.21 C ATOM 1295 O GLY A 78 -26.014 -10.208 28.125 1.00 64.15 O ATOM 0 H GLY A 78 -22.878 -9.412 26.512 1.00 23.53 H new ATOM 0 HA2 GLY A 78 -25.034 -11.232 26.038 1.00 62.55 H new ATOM 0 HA3 GLY A 78 -23.826 -11.929 27.099 1.00 62.55 H new