USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 880 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 70 THR OG1 : rot 180:sc= 0.013 USER MOD Set 1.2: A 72 GLN : amide:sc= -0.0363 K(o=-0.023,f=-1.6!) USER MOD Set 2.1: A 46 ASN : amide:sc= -0.0818 X(o=0.34,f=0.092) USER MOD Set 2.2: A 53 TYR OH : rot -74:sc= 0.424 USER MOD Single : A 8 GLN : amide:sc= -0.25 K(o=-0.25,f=-4.4!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -69:sc= 0.132 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 17 ASN : amide:sc= -0.0595 K(o=-0.06,f=-1.9!) USER MOD Single : A 18 LYS NZ :NH3+ -157:sc= -0.0267 (180deg=-0.259) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -116:sc=-0.00441 (180deg=-0.941) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.908 K(o=-0.91,f=-1.6) USER MOD Single : A 31 CYS SG : rot 110:sc= -0.56 USER MOD Single : A 32 LYS NZ :NH3+ -147:sc= -0.0123 (180deg=-0.111) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.0277 X(o=-0.028,f=-0.22) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc=-0.00354 X(o=-0.0035,f=0.44) USER MOD Single : A 40 SER OG : rot 52:sc= 0.118 USER MOD Single : A 48 LYS NZ :NH3+ 142:sc= -2.23 (180deg=-3.44!) USER MOD Single : A 50 ASN : amide:sc= -3.78 K(o=-3.8,f=-7.9!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.104 K(o=-0.1,f=-2.3!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -1.54 K(o=-1.5,f=-2.1) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.015 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc=-0.00388 X(o=-0.0039,f=-0.2) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 87 GLN : amide:sc= -0.0474 X(o=-0.047,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= -0.25 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -0.402 X(o=-0.4,f=-0.28) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.001) USER MOD ----------------------------------------------------------------- ATOM 62 N PRO A 5 -2.243 7.764 -8.815 1.00 63.20 N ATOM 63 CA PRO A 5 -1.906 7.847 -10.239 1.00 45.32 C ATOM 64 C PRO A 5 -1.269 9.183 -10.607 1.00 11.31 C ATOM 65 O PRO A 5 -0.465 9.264 -11.535 1.00 73.01 O ATOM 66 CB PRO A 5 -3.260 7.691 -10.934 1.00 54.12 C ATOM 67 CG PRO A 5 -4.257 8.156 -9.930 1.00 13.53 C ATOM 68 CD PRO A 5 -3.697 7.781 -8.586 1.00 12.03 C ATOM 0 HA PRO A 5 -1.174 7.094 -10.529 1.00 45.32 H new ATOM 0 HB2 PRO A 5 -3.308 8.287 -11.845 1.00 54.12 H new ATOM 0 HB3 PRO A 5 -3.441 6.655 -11.221 1.00 54.12 H new ATOM 0 HG2 PRO A 5 -4.410 9.233 -10.002 1.00 13.53 H new ATOM 0 HG3 PRO A 5 -5.226 7.684 -10.095 1.00 13.53 H new ATOM 0 HD2 PRO A 5 -3.975 8.504 -7.819 1.00 12.03 H new ATOM 0 HD3 PRO A 5 -4.063 6.809 -8.255 1.00 12.03 H new ATOM 76 N ALA A 6 -1.634 10.229 -9.873 1.00 2.25 N ATOM 77 CA ALA A 6 -1.096 11.561 -10.120 1.00 52.32 C ATOM 78 C ALA A 6 -1.236 11.945 -11.589 1.00 43.14 C ATOM 79 O ALA A 6 -0.433 12.714 -12.120 1.00 24.30 O ATOM 80 CB ALA A 6 0.362 11.630 -9.691 1.00 11.11 C ATOM 0 H ALA A 6 -2.300 10.180 -9.102 1.00 2.25 H new ATOM 0 HA ALA A 6 -1.671 12.274 -9.528 1.00 52.32 H new ATOM 0 HB1 ALA A 6 0.750 12.631 -9.881 1.00 11.11 H new ATOM 0 HB2 ALA A 6 0.439 11.407 -8.627 1.00 11.11 H new ATOM 0 HB3 ALA A 6 0.943 10.902 -10.257 1.00 11.11 H new ATOM 86 N LEU A 7 -2.259 11.405 -12.242 1.00 41.34 N ATOM 87 CA LEU A 7 -2.504 11.691 -13.652 1.00 25.11 C ATOM 88 C LEU A 7 -3.690 12.635 -13.818 1.00 42.23 C ATOM 89 O LEU A 7 -3.627 13.596 -14.585 1.00 20.12 O ATOM 90 CB LEU A 7 -2.759 10.392 -14.419 1.00 12.32 C ATOM 91 CG LEU A 7 -1.524 9.555 -14.752 1.00 42.21 C ATOM 92 CD1 LEU A 7 -1.932 8.190 -15.284 1.00 45.35 C ATOM 93 CD2 LEU A 7 -0.643 10.281 -15.759 1.00 55.20 C ATOM 0 H LEU A 7 -2.932 10.767 -11.818 1.00 41.34 H new ATOM 0 HA LEU A 7 -1.617 12.177 -14.058 1.00 25.11 H new ATOM 0 HB2 LEU A 7 -3.443 9.777 -13.834 1.00 12.32 H new ATOM 0 HB3 LEU A 7 -3.268 10.638 -15.351 1.00 12.32 H new ATOM 0 HG LEU A 7 -0.950 9.409 -13.837 1.00 42.21 H new ATOM 0 HD11 LEU A 7 -1.040 7.608 -15.516 1.00 45.35 H new ATOM 0 HD12 LEU A 7 -2.521 7.667 -14.530 1.00 45.35 H new ATOM 0 HD13 LEU A 7 -2.528 8.315 -16.188 1.00 45.35 H new ATOM 0 HD21 LEU A 7 0.231 9.670 -15.984 1.00 55.20 H new ATOM 0 HD22 LEU A 7 -1.207 10.459 -16.675 1.00 55.20 H new ATOM 0 HD23 LEU A 7 -0.321 11.235 -15.340 1.00 55.20 H new ATOM 105 N GLN A 8 -4.768 12.355 -13.094 1.00 13.43 N ATOM 106 CA GLN A 8 -5.968 13.181 -13.161 1.00 12.34 C ATOM 107 C GLN A 8 -6.355 13.692 -11.777 1.00 34.24 C ATOM 108 O GLN A 8 -7.490 13.515 -11.335 1.00 73.12 O ATOM 109 CB GLN A 8 -7.126 12.387 -13.767 1.00 14.03 C ATOM 110 CG GLN A 8 -6.804 11.780 -15.123 1.00 11.04 C ATOM 111 CD GLN A 8 -7.875 10.820 -15.601 1.00 63.55 C ATOM 112 OE1 GLN A 8 -8.980 10.783 -15.060 1.00 2.25 O ATOM 113 NE2 GLN A 8 -7.552 10.035 -16.623 1.00 34.30 N ATOM 0 H GLN A 8 -4.836 11.563 -12.455 1.00 13.43 H new ATOM 0 HA GLN A 8 -5.753 14.039 -13.798 1.00 12.34 H new ATOM 0 HB2 GLN A 8 -7.408 11.590 -13.079 1.00 14.03 H new ATOM 0 HB3 GLN A 8 -7.991 13.042 -13.868 1.00 14.03 H new ATOM 0 HG2 GLN A 8 -6.684 12.579 -15.855 1.00 11.04 H new ATOM 0 HG3 GLN A 8 -5.850 11.255 -15.065 1.00 11.04 H new ATOM 0 HE21 GLN A 8 -6.624 10.099 -17.042 1.00 34.30 H new ATOM 0 HE22 GLN A 8 -8.232 9.369 -16.989 1.00 34.30 H new ATOM 122 N GLU A 9 -5.404 14.325 -11.097 1.00 53.23 N ATOM 123 CA GLU A 9 -5.647 14.860 -9.763 1.00 20.05 C ATOM 124 C GLU A 9 -5.887 16.366 -9.815 1.00 74.02 C ATOM 125 O GLU A 9 -5.107 17.150 -9.275 1.00 14.43 O ATOM 126 CB GLU A 9 -4.463 14.553 -8.843 1.00 50.31 C ATOM 127 CG GLU A 9 -3.119 14.957 -9.426 1.00 71.31 C ATOM 128 CD GLU A 9 -2.221 15.633 -8.409 1.00 12.43 C ATOM 129 OE1 GLU A 9 -2.694 16.567 -7.727 1.00 62.04 O ATOM 130 OE2 GLU A 9 -1.045 15.228 -8.294 1.00 13.41 O ATOM 0 H GLU A 9 -4.459 14.480 -11.448 1.00 53.23 H new ATOM 0 HA GLU A 9 -6.542 14.381 -9.365 1.00 20.05 H new ATOM 0 HB2 GLU A 9 -4.608 15.069 -7.894 1.00 50.31 H new ATOM 0 HB3 GLU A 9 -4.449 13.485 -8.626 1.00 50.31 H new ATOM 0 HG2 GLU A 9 -2.617 14.073 -9.818 1.00 71.31 H new ATOM 0 HG3 GLU A 9 -3.280 15.631 -10.267 1.00 71.31 H new ATOM 137 N LYS A 10 -6.973 16.763 -10.471 1.00 4.20 N ATOM 138 CA LYS A 10 -7.318 18.174 -10.595 1.00 54.22 C ATOM 139 C LYS A 10 -8.114 18.648 -9.383 1.00 52.23 C ATOM 140 O LYS A 10 -9.132 18.054 -9.027 1.00 13.20 O ATOM 141 CB LYS A 10 -8.126 18.412 -11.873 1.00 44.15 C ATOM 142 CG LYS A 10 -7.519 19.462 -12.789 1.00 75.51 C ATOM 143 CD LYS A 10 -8.592 20.311 -13.450 1.00 61.03 C ATOM 144 CE LYS A 10 -8.382 20.403 -14.954 1.00 4.01 C ATOM 145 NZ LYS A 10 -9.635 20.774 -15.668 1.00 2.45 N ATOM 0 H LYS A 10 -7.629 16.127 -10.925 1.00 4.20 H new ATOM 0 HA LYS A 10 -6.391 18.746 -10.646 1.00 54.22 H new ATOM 0 HB2 LYS A 10 -8.213 17.472 -12.418 1.00 44.15 H new ATOM 0 HB3 LYS A 10 -9.137 18.718 -11.602 1.00 44.15 H new ATOM 0 HG2 LYS A 10 -6.848 20.102 -12.216 1.00 75.51 H new ATOM 0 HG3 LYS A 10 -6.917 18.974 -13.555 1.00 75.51 H new ATOM 0 HD2 LYS A 10 -9.574 19.884 -13.244 1.00 61.03 H new ATOM 0 HD3 LYS A 10 -8.583 21.312 -13.018 1.00 61.03 H new ATOM 0 HE2 LYS A 10 -7.610 21.142 -15.168 1.00 4.01 H new ATOM 0 HE3 LYS A 10 -8.020 19.446 -15.329 1.00 4.01 H new ATOM 0 HZ1 LYS A 10 -9.450 20.826 -16.690 1.00 2.45 H new ATOM 0 HZ2 LYS A 10 -10.365 20.056 -15.485 1.00 2.45 H new ATOM 0 HZ3 LYS A 10 -9.967 21.699 -15.329 1.00 2.45 H new ATOM 159 N ILE A 11 -7.645 19.721 -8.755 1.00 64.15 N ATOM 160 CA ILE A 11 -8.315 20.275 -7.586 1.00 4.14 C ATOM 161 C ILE A 11 -8.465 21.788 -7.704 1.00 34.12 C ATOM 162 O ILE A 11 -7.584 22.471 -8.226 1.00 14.04 O ATOM 163 CB ILE A 11 -7.549 19.946 -6.290 1.00 52.42 C ATOM 164 CG1 ILE A 11 -8.274 20.539 -5.080 1.00 24.13 C ATOM 165 CG2 ILE A 11 -6.123 20.471 -6.370 1.00 33.21 C ATOM 166 CD1 ILE A 11 -9.659 19.971 -4.867 1.00 75.03 C ATOM 0 H ILE A 11 -6.803 20.224 -9.037 1.00 64.15 H new ATOM 0 HA ILE A 11 -9.303 19.817 -7.541 1.00 4.14 H new ATOM 0 HB ILE A 11 -7.510 18.863 -6.172 1.00 52.42 H new ATOM 0 HG12 ILE A 11 -7.676 20.362 -4.186 1.00 24.13 H new ATOM 0 HG13 ILE A 11 -8.348 21.619 -5.205 1.00 24.13 H new ATOM 0 HG21 ILE A 11 -5.595 20.231 -5.447 1.00 33.21 H new ATOM 0 HG22 ILE A 11 -5.611 20.006 -7.213 1.00 33.21 H new ATOM 0 HG23 ILE A 11 -6.140 21.552 -6.507 1.00 33.21 H new ATOM 0 HD11 ILE A 11 -10.113 20.437 -3.992 1.00 75.03 H new ATOM 0 HD12 ILE A 11 -10.273 20.171 -5.745 1.00 75.03 H new ATOM 0 HD13 ILE A 11 -9.591 18.895 -4.710 1.00 75.03 H new ATOM 178 N SER A 12 -9.587 22.305 -7.214 1.00 15.33 N ATOM 179 CA SER A 12 -9.855 23.738 -7.266 1.00 33.31 C ATOM 180 C SER A 12 -10.012 24.209 -8.709 1.00 20.15 C ATOM 181 O SER A 12 -9.075 24.134 -9.504 1.00 52.05 O ATOM 182 CB SER A 12 -8.727 24.514 -6.584 1.00 14.05 C ATOM 183 OG SER A 12 -8.305 25.607 -7.381 1.00 70.51 O ATOM 0 H SER A 12 -10.325 21.753 -6.777 1.00 15.33 H new ATOM 0 HA SER A 12 -10.789 23.928 -6.736 1.00 33.31 H new ATOM 0 HB2 SER A 12 -9.066 24.877 -5.614 1.00 14.05 H new ATOM 0 HB3 SER A 12 -7.884 23.848 -6.398 1.00 14.05 H new ATOM 0 HG SER A 12 -7.847 25.272 -8.180 1.00 70.51 H new ATOM 189 N THR A 13 -11.204 24.695 -9.039 1.00 52.35 N ATOM 190 CA THR A 13 -11.486 25.178 -10.385 1.00 60.15 C ATOM 191 C THR A 13 -11.349 26.694 -10.466 1.00 1.01 C ATOM 192 O THR A 13 -10.392 27.210 -11.042 1.00 61.54 O ATOM 193 CB THR A 13 -12.902 24.777 -10.841 1.00 43.01 C ATOM 194 OG1 THR A 13 -13.036 23.351 -10.827 1.00 3.45 O ATOM 195 CG2 THR A 13 -13.190 25.304 -12.239 1.00 1.23 C ATOM 0 H THR A 13 -11.990 24.765 -8.393 1.00 52.35 H new ATOM 0 HA THR A 13 -10.754 24.714 -11.046 1.00 60.15 H new ATOM 0 HB THR A 13 -13.620 25.216 -10.149 1.00 43.01 H new ATOM 0 HG1 THR A 13 -13.939 23.104 -11.116 1.00 3.45 H new ATOM 0 HG21 THR A 13 -14.195 25.008 -12.539 1.00 1.23 H new ATOM 0 HG22 THR A 13 -13.116 26.391 -12.240 1.00 1.23 H new ATOM 0 HG23 THR A 13 -12.465 24.890 -12.940 1.00 1.23 H new ATOM 203 N GLU A 14 -12.311 27.402 -9.883 1.00 53.45 N ATOM 204 CA GLU A 14 -12.296 28.861 -9.890 1.00 74.53 C ATOM 205 C GLU A 14 -11.826 29.406 -8.545 1.00 43.12 C ATOM 206 O GLU A 14 -11.863 30.614 -8.305 1.00 21.43 O ATOM 207 CB GLU A 14 -13.689 29.405 -10.215 1.00 42.40 C ATOM 208 CG GLU A 14 -14.225 28.942 -11.559 1.00 54.40 C ATOM 209 CD GLU A 14 -15.442 29.731 -12.005 1.00 24.24 C ATOM 210 OE1 GLU A 14 -16.079 30.373 -11.144 1.00 54.20 O ATOM 211 OE2 GLU A 14 -15.756 29.706 -13.213 1.00 22.42 O ATOM 0 H GLU A 14 -13.110 26.990 -9.400 1.00 53.45 H new ATOM 0 HA GLU A 14 -11.597 29.189 -10.659 1.00 74.53 H new ATOM 0 HB2 GLU A 14 -14.382 29.097 -9.432 1.00 42.40 H new ATOM 0 HB3 GLU A 14 -13.656 30.494 -10.202 1.00 42.40 H new ATOM 0 HG2 GLU A 14 -13.441 29.035 -12.310 1.00 54.40 H new ATOM 0 HG3 GLU A 14 -14.484 27.885 -11.498 1.00 54.40 H new ATOM 218 N LEU A 15 -11.384 28.508 -7.671 1.00 43.44 N ATOM 219 CA LEU A 15 -10.906 28.898 -6.349 1.00 43.34 C ATOM 220 C LEU A 15 -12.073 29.171 -5.407 1.00 34.33 C ATOM 221 O LEU A 15 -11.887 29.327 -4.201 1.00 2.12 O ATOM 222 CB LEU A 15 -10.018 30.140 -6.452 1.00 61.21 C ATOM 223 CG LEU A 15 -8.754 30.134 -5.591 1.00 53.41 C ATOM 224 CD1 LEU A 15 -7.806 29.034 -6.042 1.00 1.42 C ATOM 225 CD2 LEU A 15 -8.066 31.490 -5.646 1.00 2.40 C ATOM 0 H LEU A 15 -11.347 27.505 -7.854 1.00 43.44 H new ATOM 0 HA LEU A 15 -10.321 28.073 -5.943 1.00 43.34 H new ATOM 0 HB2 LEU A 15 -9.723 30.266 -7.494 1.00 61.21 H new ATOM 0 HB3 LEU A 15 -10.614 31.012 -6.181 1.00 61.21 H new ATOM 0 HG LEU A 15 -9.041 29.936 -4.558 1.00 53.41 H new ATOM 0 HD11 LEU A 15 -6.912 29.045 -5.418 1.00 1.42 H new ATOM 0 HD12 LEU A 15 -8.301 28.067 -5.950 1.00 1.42 H new ATOM 0 HD13 LEU A 15 -7.524 29.200 -7.082 1.00 1.42 H new ATOM 0 HD21 LEU A 15 -7.169 31.468 -5.028 1.00 2.40 H new ATOM 0 HD22 LEU A 15 -7.792 31.717 -6.676 1.00 2.40 H new ATOM 0 HD23 LEU A 15 -8.744 32.258 -5.274 1.00 2.40 H new ATOM 237 N ASN A 16 -13.278 29.224 -5.965 1.00 72.13 N ATOM 238 CA ASN A 16 -14.477 29.476 -5.174 1.00 31.51 C ATOM 239 C ASN A 16 -15.177 28.168 -4.816 1.00 21.03 C ATOM 240 O ASN A 16 -15.579 27.961 -3.672 1.00 30.33 O ATOM 241 CB ASN A 16 -15.437 30.387 -5.940 1.00 53.54 C ATOM 242 CG ASN A 16 -16.465 31.038 -5.034 1.00 25.20 C ATOM 243 OD1 ASN A 16 -16.115 31.727 -4.076 1.00 13.51 O ATOM 244 ND2 ASN A 16 -17.740 30.820 -5.333 1.00 62.14 N ATOM 0 H ASN A 16 -13.450 29.096 -6.962 1.00 72.13 H new ATOM 0 HA ASN A 16 -14.175 29.971 -4.251 1.00 31.51 H new ATOM 0 HB2 ASN A 16 -14.867 31.161 -6.453 1.00 53.54 H new ATOM 0 HB3 ASN A 16 -15.949 29.807 -6.708 1.00 53.54 H new ATOM 0 HD21 ASN A 16 -18.476 31.231 -4.759 1.00 62.14 H new ATOM 0 HD22 ASN A 16 -17.984 30.242 -6.137 1.00 62.14 H new ATOM 251 N ASN A 17 -15.318 27.289 -5.803 1.00 22.14 N ATOM 252 CA ASN A 17 -15.969 26.001 -5.592 1.00 2.03 C ATOM 253 C ASN A 17 -15.034 25.029 -4.879 1.00 3.14 C ATOM 254 O ASN A 17 -15.477 24.045 -4.286 1.00 0.33 O ATOM 255 CB ASN A 17 -16.416 25.407 -6.929 1.00 53.40 C ATOM 256 CG ASN A 17 -17.591 26.155 -7.529 1.00 52.13 C ATOM 257 OD1 ASN A 17 -17.771 27.349 -7.287 1.00 20.42 O ATOM 258 ND2 ASN A 17 -18.398 25.454 -8.318 1.00 0.25 N ATOM 0 H ASN A 17 -14.990 27.445 -6.756 1.00 22.14 H new ATOM 0 HA ASN A 17 -16.844 26.163 -4.963 1.00 2.03 H new ATOM 0 HB2 ASN A 17 -15.581 25.426 -7.629 1.00 53.40 H new ATOM 0 HB3 ASN A 17 -16.689 24.361 -6.786 1.00 53.40 H new ATOM 0 HD21 ASN A 17 -19.205 25.903 -8.751 1.00 0.25 H new ATOM 0 HD22 ASN A 17 -18.211 24.466 -8.491 1.00 0.25 H new ATOM 265 N LYS A 18 -13.737 25.312 -4.940 1.00 21.22 N ATOM 266 CA LYS A 18 -12.738 24.465 -4.299 1.00 4.21 C ATOM 267 C LYS A 18 -13.086 24.226 -2.833 1.00 74.24 C ATOM 268 O LYS A 18 -12.824 23.152 -2.292 1.00 10.43 O ATOM 269 CB LYS A 18 -11.352 25.106 -4.406 1.00 61.34 C ATOM 270 CG LYS A 18 -11.185 26.344 -3.542 1.00 74.43 C ATOM 271 CD LYS A 18 -10.559 26.006 -2.200 1.00 13.35 C ATOM 272 CE LYS A 18 -9.497 27.023 -1.809 1.00 33.44 C ATOM 273 NZ LYS A 18 -8.310 26.957 -2.705 1.00 53.35 N ATOM 0 H LYS A 18 -13.353 26.122 -5.427 1.00 21.22 H new ATOM 0 HA LYS A 18 -12.729 23.504 -4.814 1.00 4.21 H new ATOM 0 HB2 LYS A 18 -10.598 24.371 -4.122 1.00 61.34 H new ATOM 0 HB3 LYS A 18 -11.163 25.371 -5.446 1.00 61.34 H new ATOM 0 HG2 LYS A 18 -10.562 27.071 -4.063 1.00 74.43 H new ATOM 0 HG3 LYS A 18 -12.156 26.812 -3.384 1.00 74.43 H new ATOM 0 HD2 LYS A 18 -11.333 25.974 -1.434 1.00 13.35 H new ATOM 0 HD3 LYS A 18 -10.114 25.012 -2.245 1.00 13.35 H new ATOM 0 HE2 LYS A 18 -9.924 28.025 -1.844 1.00 33.44 H new ATOM 0 HE3 LYS A 18 -9.185 26.845 -0.780 1.00 33.44 H new ATOM 0 HZ1 LYS A 18 -7.482 27.350 -2.213 1.00 53.35 H new ATOM 0 HZ2 LYS A 18 -8.123 25.967 -2.961 1.00 53.35 H new ATOM 0 HZ3 LYS A 18 -8.495 27.509 -3.567 1.00 53.35 H new ATOM 287 N GLN A 19 -13.680 25.232 -2.199 1.00 63.10 N ATOM 288 CA GLN A 19 -14.065 25.129 -0.796 1.00 64.04 C ATOM 289 C GLN A 19 -15.170 24.094 -0.610 1.00 4.53 C ATOM 290 O GLN A 19 -15.109 23.264 0.297 1.00 60.52 O ATOM 291 CB GLN A 19 -14.529 26.489 -0.272 1.00 61.11 C ATOM 292 CG GLN A 19 -13.629 27.063 0.810 1.00 32.04 C ATOM 293 CD GLN A 19 -12.973 28.365 0.394 1.00 30.33 C ATOM 294 OE1 GLN A 19 -11.849 28.374 -0.108 1.00 61.22 O ATOM 295 NE2 GLN A 19 -13.673 29.474 0.601 1.00 34.34 N ATOM 0 H GLN A 19 -13.905 26.127 -2.634 1.00 63.10 H new ATOM 0 HA GLN A 19 -13.192 24.808 -0.228 1.00 64.04 H new ATOM 0 HB2 GLN A 19 -14.578 27.192 -1.103 1.00 61.11 H new ATOM 0 HB3 GLN A 19 -15.540 26.391 0.122 1.00 61.11 H new ATOM 0 HG2 GLN A 19 -14.215 27.228 1.714 1.00 32.04 H new ATOM 0 HG3 GLN A 19 -12.857 26.335 1.059 1.00 32.04 H new ATOM 0 HE21 GLN A 19 -14.601 29.420 1.020 1.00 34.34 H new ATOM 0 HE22 GLN A 19 -13.282 30.380 0.341 1.00 34.34 H new ATOM 304 N TYR A 20 -16.178 24.151 -1.472 1.00 51.33 N ATOM 305 CA TYR A 20 -17.299 23.221 -1.401 1.00 5.04 C ATOM 306 C TYR A 20 -16.867 21.816 -1.809 1.00 22.23 C ATOM 307 O TYR A 20 -17.200 20.835 -1.144 1.00 55.43 O ATOM 308 CB TYR A 20 -18.442 23.696 -2.299 1.00 4.50 C ATOM 309 CG TYR A 20 -19.521 24.452 -1.557 1.00 22.01 C ATOM 310 CD1 TYR A 20 -19.435 25.827 -1.376 1.00 71.22 C ATOM 311 CD2 TYR A 20 -20.627 23.791 -1.037 1.00 61.33 C ATOM 312 CE1 TYR A 20 -20.418 26.521 -0.698 1.00 75.22 C ATOM 313 CE2 TYR A 20 -21.616 24.477 -0.359 1.00 61.22 C ATOM 314 CZ TYR A 20 -21.507 25.842 -0.192 1.00 21.52 C ATOM 315 OH TYR A 20 -22.489 26.529 0.483 1.00 52.41 O ATOM 0 H TYR A 20 -16.242 24.832 -2.229 1.00 51.33 H new ATOM 0 HA TYR A 20 -17.647 23.190 -0.369 1.00 5.04 H new ATOM 0 HB2 TYR A 20 -18.036 24.335 -3.083 1.00 4.50 H new ATOM 0 HB3 TYR A 20 -18.889 22.832 -2.792 1.00 4.50 H new ATOM 0 HD1 TYR A 20 -18.585 26.362 -1.772 1.00 71.22 H new ATOM 0 HD2 TYR A 20 -20.715 22.722 -1.165 1.00 61.33 H new ATOM 0 HE1 TYR A 20 -20.335 27.589 -0.565 1.00 75.22 H new ATOM 0 HE2 TYR A 20 -22.470 23.948 0.038 1.00 61.22 H new ATOM 0 HH TYR A 20 -23.185 25.903 0.773 1.00 52.41 H new ATOM 325 N GLU A 21 -16.122 21.728 -2.906 1.00 61.13 N ATOM 326 CA GLU A 21 -15.644 20.443 -3.404 1.00 12.14 C ATOM 327 C GLU A 21 -14.718 19.777 -2.390 1.00 14.35 C ATOM 328 O GLU A 21 -14.844 18.585 -2.107 1.00 25.02 O ATOM 329 CB GLU A 21 -14.913 20.626 -4.735 1.00 4.51 C ATOM 330 CG GLU A 21 -14.273 19.352 -5.258 1.00 64.34 C ATOM 331 CD GLU A 21 -15.296 18.299 -5.638 1.00 65.24 C ATOM 332 OE1 GLU A 21 -16.215 18.619 -6.420 1.00 71.00 O ATOM 333 OE2 GLU A 21 -15.176 17.154 -5.154 1.00 23.04 O ATOM 0 H GLU A 21 -15.836 22.531 -3.467 1.00 61.13 H new ATOM 0 HA GLU A 21 -16.509 19.798 -3.559 1.00 12.14 H new ATOM 0 HB2 GLU A 21 -15.617 21.000 -5.478 1.00 4.51 H new ATOM 0 HB3 GLU A 21 -14.142 21.387 -4.615 1.00 4.51 H new ATOM 0 HG2 GLU A 21 -13.660 19.588 -6.128 1.00 64.34 H new ATOM 0 HG3 GLU A 21 -13.605 18.947 -4.498 1.00 64.34 H new ATOM 340 N LEU A 22 -13.789 20.555 -1.846 1.00 11.41 N ATOM 341 CA LEU A 22 -12.841 20.042 -0.863 1.00 42.42 C ATOM 342 C LEU A 22 -13.558 19.613 0.413 1.00 63.33 C ATOM 343 O LEU A 22 -13.138 18.672 1.086 1.00 22.34 O ATOM 344 CB LEU A 22 -11.789 21.104 -0.538 1.00 1.32 C ATOM 345 CG LEU A 22 -10.597 20.635 0.297 1.00 32.34 C ATOM 346 CD1 LEU A 22 -9.387 21.521 0.046 1.00 61.51 C ATOM 347 CD2 LEU A 22 -10.954 20.624 1.777 1.00 70.53 C ATOM 0 H LEU A 22 -13.672 21.543 -2.069 1.00 11.41 H new ATOM 0 HA LEU A 22 -12.348 19.169 -1.291 1.00 42.42 H new ATOM 0 HB2 LEU A 22 -11.412 21.512 -1.476 1.00 1.32 H new ATOM 0 HB3 LEU A 22 -12.279 21.921 -0.009 1.00 1.32 H new ATOM 0 HG LEU A 22 -10.345 19.618 -0.004 1.00 32.34 H new ATOM 0 HD11 LEU A 22 -8.549 21.172 0.649 1.00 61.51 H new ATOM 0 HD12 LEU A 22 -9.117 21.478 -1.009 1.00 61.51 H new ATOM 0 HD13 LEU A 22 -9.626 22.549 0.318 1.00 61.51 H new ATOM 0 HD21 LEU A 22 -10.094 20.288 2.356 1.00 70.53 H new ATOM 0 HD22 LEU A 22 -11.232 21.630 2.092 1.00 70.53 H new ATOM 0 HD23 LEU A 22 -11.791 19.947 1.944 1.00 70.53 H new ATOM 359 N PHE A 23 -14.643 20.307 0.738 1.00 51.20 N ATOM 360 CA PHE A 23 -15.420 19.997 1.933 1.00 62.15 C ATOM 361 C PHE A 23 -15.898 18.548 1.909 1.00 11.11 C ATOM 362 O PHE A 23 -15.768 17.824 2.896 1.00 41.41 O ATOM 363 CB PHE A 23 -16.619 20.940 2.046 1.00 12.00 C ATOM 364 CG PHE A 23 -17.305 20.879 3.381 1.00 53.32 C ATOM 365 CD1 PHE A 23 -16.637 21.252 4.536 1.00 43.13 C ATOM 366 CD2 PHE A 23 -18.619 20.450 3.480 1.00 1.15 C ATOM 367 CE1 PHE A 23 -17.266 21.196 5.765 1.00 4.32 C ATOM 368 CE2 PHE A 23 -19.253 20.393 4.707 1.00 32.33 C ATOM 369 CZ PHE A 23 -18.576 20.767 5.851 1.00 43.30 C ATOM 0 H PHE A 23 -15.005 21.088 0.191 1.00 51.20 H new ATOM 0 HA PHE A 23 -14.776 20.135 2.801 1.00 62.15 H new ATOM 0 HB2 PHE A 23 -16.286 21.962 1.864 1.00 12.00 H new ATOM 0 HB3 PHE A 23 -17.339 20.695 1.265 1.00 12.00 H new ATOM 0 HD1 PHE A 23 -15.613 21.590 4.475 1.00 43.13 H new ATOM 0 HD2 PHE A 23 -19.154 20.157 2.589 1.00 1.15 H new ATOM 0 HE1 PHE A 23 -16.733 21.488 6.658 1.00 4.32 H new ATOM 0 HE2 PHE A 23 -20.277 20.056 4.771 1.00 32.33 H new ATOM 0 HZ PHE A 23 -19.070 20.724 6.811 1.00 43.30 H new ATOM 379 N MET A 24 -16.453 18.133 0.775 1.00 63.40 N ATOM 380 CA MET A 24 -16.950 16.770 0.622 1.00 11.32 C ATOM 381 C MET A 24 -15.805 15.801 0.350 1.00 64.43 C ATOM 382 O MET A 24 -15.846 14.642 0.764 1.00 75.13 O ATOM 383 CB MET A 24 -17.973 16.702 -0.514 1.00 4.42 C ATOM 384 CG MET A 24 -19.214 17.544 -0.265 1.00 42.05 C ATOM 385 SD MET A 24 -20.160 16.982 1.163 1.00 43.10 S ATOM 386 CE MET A 24 -21.138 18.440 1.516 1.00 54.12 C ATOM 0 H MET A 24 -16.570 18.720 -0.051 1.00 63.40 H new ATOM 0 HA MET A 24 -17.434 16.479 1.555 1.00 11.32 H new ATOM 0 HB2 MET A 24 -17.499 17.032 -1.439 1.00 4.42 H new ATOM 0 HB3 MET A 24 -18.272 15.664 -0.662 1.00 4.42 H new ATOM 0 HG2 MET A 24 -18.919 18.583 -0.115 1.00 42.05 H new ATOM 0 HG3 MET A 24 -19.850 17.518 -1.150 1.00 42.05 H new ATOM 0 HE1 MET A 24 -20.866 18.832 2.496 1.00 54.12 H new ATOM 0 HE2 MET A 24 -20.948 19.198 0.756 1.00 54.12 H new ATOM 0 HE3 MET A 24 -22.196 18.178 1.511 1.00 54.12 H new ATOM 396 N LYS A 25 -14.782 16.281 -0.350 1.00 12.34 N ATOM 397 CA LYS A 25 -13.624 15.458 -0.677 1.00 52.01 C ATOM 398 C LYS A 25 -12.884 15.032 0.587 1.00 14.10 C ATOM 399 O LYS A 25 -12.549 13.860 0.756 1.00 61.20 O ATOM 400 CB LYS A 25 -12.675 16.222 -1.603 1.00 71.13 C ATOM 401 CG LYS A 25 -11.444 15.427 -2.003 1.00 74.50 C ATOM 402 CD LYS A 25 -10.273 16.338 -2.329 1.00 71.12 C ATOM 403 CE LYS A 25 -9.295 16.426 -1.167 1.00 54.54 C ATOM 404 NZ LYS A 25 -8.010 15.737 -1.470 1.00 55.31 N ATOM 0 H LYS A 25 -14.732 17.237 -0.702 1.00 12.34 H new ATOM 0 HA LYS A 25 -13.979 14.563 -1.188 1.00 52.01 H new ATOM 0 HB2 LYS A 25 -13.216 16.515 -2.503 1.00 71.13 H new ATOM 0 HB3 LYS A 25 -12.359 17.140 -1.108 1.00 71.13 H new ATOM 0 HG2 LYS A 25 -11.167 14.752 -1.193 1.00 74.50 H new ATOM 0 HG3 LYS A 25 -11.676 14.807 -2.869 1.00 74.50 H new ATOM 0 HD2 LYS A 25 -9.756 15.966 -3.214 1.00 71.12 H new ATOM 0 HD3 LYS A 25 -10.642 17.334 -2.571 1.00 71.12 H new ATOM 0 HE2 LYS A 25 -9.100 17.473 -0.935 1.00 54.54 H new ATOM 0 HE3 LYS A 25 -9.745 15.981 -0.279 1.00 54.54 H new ATOM 0 HZ1 LYS A 25 -7.371 15.820 -0.654 1.00 55.31 H new ATOM 0 HZ2 LYS A 25 -8.193 14.732 -1.666 1.00 55.31 H new ATOM 0 HZ3 LYS A 25 -7.568 16.177 -2.302 1.00 55.31 H new ATOM 418 N SER A 26 -12.635 15.991 1.473 1.00 44.23 N ATOM 419 CA SER A 26 -11.933 15.715 2.721 1.00 45.34 C ATOM 420 C SER A 26 -12.788 14.857 3.647 1.00 34.11 C ATOM 421 O SER A 26 -12.281 13.970 4.335 1.00 35.04 O ATOM 422 CB SER A 26 -11.558 17.024 3.420 1.00 73.51 C ATOM 423 OG SER A 26 -11.611 16.882 4.829 1.00 71.11 O ATOM 0 H SER A 26 -12.909 16.966 1.350 1.00 44.23 H new ATOM 0 HA SER A 26 -11.023 15.165 2.483 1.00 45.34 H new ATOM 0 HB2 SER A 26 -10.555 17.326 3.119 1.00 73.51 H new ATOM 0 HB3 SER A 26 -12.238 17.816 3.105 1.00 73.51 H new ATOM 0 HG SER A 26 -11.366 17.731 5.253 1.00 71.11 H new ATOM 429 N LEU A 27 -14.089 15.127 3.659 1.00 20.14 N ATOM 430 CA LEU A 27 -15.018 14.380 4.501 1.00 45.10 C ATOM 431 C LEU A 27 -15.150 12.939 4.020 1.00 62.31 C ATOM 432 O LEU A 27 -15.029 11.998 4.806 1.00 45.34 O ATOM 433 CB LEU A 27 -16.390 15.056 4.505 1.00 4.31 C ATOM 434 CG LEU A 27 -16.665 16.008 5.669 1.00 12.45 C ATOM 435 CD1 LEU A 27 -15.533 17.013 5.817 1.00 53.45 C ATOM 436 CD2 LEU A 27 -17.993 16.724 5.471 1.00 75.24 C ATOM 0 H LEU A 27 -14.525 15.857 3.096 1.00 20.14 H new ATOM 0 HA LEU A 27 -14.622 14.370 5.516 1.00 45.10 H new ATOM 0 HB2 LEU A 27 -16.502 15.611 3.574 1.00 4.31 H new ATOM 0 HB3 LEU A 27 -17.155 14.280 4.508 1.00 4.31 H new ATOM 0 HG LEU A 27 -16.724 15.421 6.586 1.00 12.45 H new ATOM 0 HD11 LEU A 27 -15.747 17.682 6.651 1.00 53.45 H new ATOM 0 HD12 LEU A 27 -14.599 16.484 6.007 1.00 53.45 H new ATOM 0 HD13 LEU A 27 -15.440 17.595 4.900 1.00 53.45 H new ATOM 0 HD21 LEU A 27 -18.172 17.397 6.309 1.00 75.24 H new ATOM 0 HD22 LEU A 27 -17.962 17.298 4.545 1.00 75.24 H new ATOM 0 HD23 LEU A 27 -18.797 15.990 5.417 1.00 75.24 H new ATOM 448 N ILE A 28 -15.397 12.773 2.725 1.00 62.01 N ATOM 449 CA ILE A 28 -15.542 11.446 2.139 1.00 2.21 C ATOM 450 C ILE A 28 -14.262 10.633 2.297 1.00 22.40 C ATOM 451 O ILE A 28 -14.299 9.473 2.706 1.00 21.23 O ATOM 452 CB ILE A 28 -15.904 11.527 0.644 1.00 11.34 C ATOM 453 CG1 ILE A 28 -17.303 12.122 0.468 1.00 61.22 C ATOM 454 CG2 ILE A 28 -15.824 10.149 0.004 1.00 3.44 C ATOM 455 CD1 ILE A 28 -18.416 11.170 0.847 1.00 51.41 C ATOM 0 H ILE A 28 -15.501 13.541 2.062 1.00 62.01 H new ATOM 0 HA ILE A 28 -16.353 10.951 2.674 1.00 2.21 H new ATOM 0 HB ILE A 28 -15.187 12.179 0.146 1.00 11.34 H new ATOM 0 HG12 ILE A 28 -17.385 13.024 1.075 1.00 61.22 H new ATOM 0 HG13 ILE A 28 -17.432 12.424 -0.571 1.00 61.22 H new ATOM 0 HG21 ILE A 28 -16.083 10.223 -1.052 1.00 3.44 H new ATOM 0 HG22 ILE A 28 -14.811 9.760 0.103 1.00 3.44 H new ATOM 0 HG23 ILE A 28 -16.521 9.475 0.502 1.00 3.44 H new ATOM 0 HD11 ILE A 28 -19.379 11.658 0.697 1.00 51.41 H new ATOM 0 HD12 ILE A 28 -18.360 10.278 0.223 1.00 51.41 H new ATOM 0 HD13 ILE A 28 -18.312 10.887 1.894 1.00 51.41 H new ATOM 467 N GLU A 29 -13.131 11.250 1.971 1.00 5.20 N ATOM 468 CA GLU A 29 -11.838 10.583 2.078 1.00 75.30 C ATOM 469 C GLU A 29 -11.507 10.269 3.534 1.00 1.42 C ATOM 470 O GLU A 29 -10.887 9.251 3.835 1.00 64.50 O ATOM 471 CB GLU A 29 -10.738 11.454 1.469 1.00 63.52 C ATOM 472 CG GLU A 29 -10.817 11.564 -0.045 1.00 3.25 C ATOM 473 CD GLU A 29 -10.663 10.224 -0.736 1.00 75.44 C ATOM 474 OE1 GLU A 29 -9.991 9.337 -0.171 1.00 22.24 O ATOM 475 OE2 GLU A 29 -11.217 10.062 -1.844 1.00 71.31 O ATOM 0 H GLU A 29 -13.083 12.210 1.631 1.00 5.20 H new ATOM 0 HA GLU A 29 -11.895 9.645 1.526 1.00 75.30 H new ATOM 0 HB2 GLU A 29 -10.796 12.453 1.901 1.00 63.52 H new ATOM 0 HB3 GLU A 29 -9.767 11.044 1.745 1.00 63.52 H new ATOM 0 HG2 GLU A 29 -11.774 12.005 -0.324 1.00 3.25 H new ATOM 0 HG3 GLU A 29 -10.039 12.242 -0.397 1.00 3.25 H new ATOM 482 N ASN A 30 -11.925 11.154 4.434 1.00 41.03 N ATOM 483 CA ASN A 30 -11.672 10.973 5.859 1.00 43.25 C ATOM 484 C ASN A 30 -12.454 9.782 6.403 1.00 13.23 C ATOM 485 O ASN A 30 -11.882 8.874 7.007 1.00 62.24 O ATOM 486 CB ASN A 30 -12.048 12.240 6.629 1.00 5.34 C ATOM 487 CG ASN A 30 -10.915 13.248 6.673 1.00 60.12 C ATOM 488 OD1 ASN A 30 -10.056 13.272 5.791 1.00 75.12 O ATOM 489 ND2 ASN A 30 -10.908 14.086 7.703 1.00 52.12 N ATOM 0 H ASN A 30 -12.440 12.003 4.202 1.00 41.03 H new ATOM 0 HA ASN A 30 -10.608 10.777 5.992 1.00 43.25 H new ATOM 0 HB2 ASN A 30 -12.921 12.699 6.164 1.00 5.34 H new ATOM 0 HB3 ASN A 30 -12.332 11.972 7.647 1.00 5.34 H new ATOM 0 HD21 ASN A 30 -10.170 14.786 7.786 1.00 52.12 H new ATOM 0 HD22 ASN A 30 -11.640 14.030 8.411 1.00 52.12 H new ATOM 496 N CYS A 31 -13.765 9.793 6.186 1.00 44.21 N ATOM 497 CA CYS A 31 -14.627 8.714 6.655 1.00 44.00 C ATOM 498 C CYS A 31 -14.296 7.406 5.944 1.00 24.21 C ATOM 499 O CYS A 31 -14.203 6.351 6.572 1.00 1.15 O ATOM 500 CB CYS A 31 -16.096 9.073 6.430 1.00 32.14 C ATOM 501 SG CYS A 31 -16.827 10.058 7.759 1.00 21.21 S ATOM 0 H CYS A 31 -14.254 10.537 5.688 1.00 44.21 H new ATOM 0 HA CYS A 31 -14.453 8.580 7.723 1.00 44.00 H new ATOM 0 HB2 CYS A 31 -16.185 9.623 5.493 1.00 32.14 H new ATOM 0 HB3 CYS A 31 -16.670 8.154 6.316 1.00 32.14 H new ATOM 0 HG CYS A 31 -17.047 11.266 7.333 1.00 21.21 H new ATOM 507 N LYS A 32 -14.120 7.481 4.629 1.00 1.13 N ATOM 508 CA LYS A 32 -13.800 6.304 3.831 1.00 23.30 C ATOM 509 C LYS A 32 -12.442 5.731 4.226 1.00 50.40 C ATOM 510 O LYS A 32 -12.213 4.526 4.129 1.00 20.54 O ATOM 511 CB LYS A 32 -13.803 6.656 2.342 1.00 61.43 C ATOM 512 CG LYS A 32 -13.398 5.500 1.443 1.00 54.02 C ATOM 513 CD LYS A 32 -13.310 5.930 -0.012 1.00 24.20 C ATOM 514 CE LYS A 32 -11.943 6.513 -0.339 1.00 32.54 C ATOM 515 NZ LYS A 32 -11.212 5.686 -1.339 1.00 33.13 N ATOM 0 H LYS A 32 -14.194 8.346 4.093 1.00 1.13 H new ATOM 0 HA LYS A 32 -14.563 5.549 4.021 1.00 23.30 H new ATOM 0 HB2 LYS A 32 -14.800 6.993 2.059 1.00 61.43 H new ATOM 0 HB3 LYS A 32 -13.124 7.492 2.173 1.00 61.43 H new ATOM 0 HG2 LYS A 32 -12.434 5.107 1.766 1.00 54.02 H new ATOM 0 HG3 LYS A 32 -14.121 4.691 1.541 1.00 54.02 H new ATOM 0 HD2 LYS A 32 -13.506 5.074 -0.658 1.00 24.20 H new ATOM 0 HD3 LYS A 32 -14.082 6.670 -0.221 1.00 24.20 H new ATOM 0 HE2 LYS A 32 -12.063 7.526 -0.723 1.00 32.54 H new ATOM 0 HE3 LYS A 32 -11.352 6.586 0.574 1.00 32.54 H new ATOM 0 HZ1 LYS A 32 -10.191 5.729 -1.146 1.00 33.13 H new ATOM 0 HZ2 LYS A 32 -11.535 4.699 -1.276 1.00 33.13 H new ATOM 0 HZ3 LYS A 32 -11.399 6.051 -2.295 1.00 33.13 H new ATOM 529 N LYS A 33 -11.545 6.604 4.672 1.00 24.45 N ATOM 530 CA LYS A 33 -10.210 6.186 5.085 1.00 31.52 C ATOM 531 C LYS A 33 -10.283 5.216 6.261 1.00 42.23 C ATOM 532 O LYS A 33 -9.322 4.503 6.549 1.00 21.14 O ATOM 533 CB LYS A 33 -9.367 7.404 5.467 1.00 42.22 C ATOM 534 CG LYS A 33 -8.412 7.850 4.373 1.00 55.34 C ATOM 535 CD LYS A 33 -8.042 9.317 4.519 1.00 31.43 C ATOM 536 CE LYS A 33 -7.554 9.903 3.203 1.00 35.31 C ATOM 537 NZ LYS A 33 -6.072 9.839 3.083 1.00 25.22 N ATOM 0 H LYS A 33 -11.718 7.606 4.757 1.00 24.45 H new ATOM 0 HA LYS A 33 -9.740 5.676 4.244 1.00 31.52 H new ATOM 0 HB2 LYS A 33 -10.031 8.231 5.717 1.00 42.22 H new ATOM 0 HB3 LYS A 33 -8.795 7.172 6.365 1.00 42.22 H new ATOM 0 HG2 LYS A 33 -7.509 7.241 4.407 1.00 55.34 H new ATOM 0 HG3 LYS A 33 -8.871 7.685 3.398 1.00 55.34 H new ATOM 0 HD2 LYS A 33 -8.908 9.878 4.869 1.00 31.43 H new ATOM 0 HD3 LYS A 33 -7.265 9.424 5.276 1.00 31.43 H new ATOM 0 HE2 LYS A 33 -8.009 9.362 2.374 1.00 35.31 H new ATOM 0 HE3 LYS A 33 -7.880 10.940 3.124 1.00 35.31 H new ATOM 0 HZ1 LYS A 33 -5.779 10.248 2.173 1.00 25.22 H new ATOM 0 HZ2 LYS A 33 -5.637 10.377 3.860 1.00 25.22 H new ATOM 0 HZ3 LYS A 33 -5.762 8.847 3.132 1.00 25.22 H new ATOM 551 N ARG A 34 -11.428 5.195 6.934 1.00 34.31 N ATOM 552 CA ARG A 34 -11.626 4.312 8.078 1.00 41.42 C ATOM 553 C ARG A 34 -11.920 2.887 7.620 1.00 22.33 C ATOM 554 O ARG A 34 -12.068 1.980 8.438 1.00 12.14 O ATOM 555 CB ARG A 34 -12.771 4.825 8.953 1.00 53.13 C ATOM 556 CG ARG A 34 -12.420 4.907 10.429 1.00 13.12 C ATOM 557 CD ARG A 34 -13.414 5.770 11.191 1.00 42.20 C ATOM 558 NE ARG A 34 -13.066 5.887 12.605 1.00 51.35 N ATOM 559 CZ ARG A 34 -12.138 6.718 13.067 1.00 53.03 C ATOM 560 NH1 ARG A 34 -11.469 7.501 12.232 1.00 72.35 N ATOM 561 NH2 ARG A 34 -11.879 6.767 14.367 1.00 5.30 N ATOM 0 H ARG A 34 -12.233 5.779 6.708 1.00 34.31 H new ATOM 0 HA ARG A 34 -10.706 4.305 8.663 1.00 41.42 H new ATOM 0 HB2 ARG A 34 -13.069 5.814 8.604 1.00 53.13 H new ATOM 0 HB3 ARG A 34 -13.633 4.170 8.829 1.00 53.13 H new ATOM 0 HG2 ARG A 34 -12.404 3.904 10.857 1.00 13.12 H new ATOM 0 HG3 ARG A 34 -11.417 5.318 10.543 1.00 13.12 H new ATOM 0 HD2 ARG A 34 -13.450 6.763 10.743 1.00 42.20 H new ATOM 0 HD3 ARG A 34 -14.412 5.342 11.097 1.00 42.20 H new ATOM 0 HE ARG A 34 -13.563 5.299 13.274 1.00 51.35 H new ATOM 0 HH11 ARG A 34 -11.666 7.466 11.232 1.00 72.35 H new ATOM 0 HH12 ARG A 34 -10.757 8.138 12.590 1.00 72.35 H new ATOM 0 HH21 ARG A 34 -12.392 6.167 15.012 1.00 5.30 H new ATOM 0 HH22 ARG A 34 -11.166 7.405 14.721 1.00 5.30 H new ATOM 575 N ASN A 35 -12.003 2.697 6.307 1.00 0.43 N ATOM 576 CA ASN A 35 -12.280 1.382 5.741 1.00 54.42 C ATOM 577 C ASN A 35 -11.310 1.062 4.608 1.00 2.41 C ATOM 578 O ASN A 35 -10.749 -0.032 4.548 1.00 54.40 O ATOM 579 CB ASN A 35 -13.720 1.319 5.227 1.00 32.10 C ATOM 580 CG ASN A 35 -14.638 0.567 6.171 1.00 13.13 C ATOM 581 OD1 ASN A 35 -15.555 1.146 6.756 1.00 64.44 O ATOM 582 ND2 ASN A 35 -14.396 -0.729 6.325 1.00 63.41 N ATOM 0 H ASN A 35 -11.882 3.437 5.615 1.00 0.43 H new ATOM 0 HA ASN A 35 -12.149 0.640 6.528 1.00 54.42 H new ATOM 0 HB2 ASN A 35 -14.098 2.332 5.087 1.00 32.10 H new ATOM 0 HB3 ASN A 35 -13.733 0.836 4.250 1.00 32.10 H new ATOM 0 HD21 ASN A 35 -14.981 -1.286 6.948 1.00 63.41 H new ATOM 0 HD22 ASN A 35 -13.626 -1.167 5.820 1.00 63.41 H new ATOM 589 N MET A 36 -11.116 2.025 3.712 1.00 11.05 N ATOM 590 CA MET A 36 -10.212 1.846 2.583 1.00 43.35 C ATOM 591 C MET A 36 -9.465 3.140 2.274 1.00 41.11 C ATOM 592 O MET A 36 -9.770 3.847 1.313 1.00 22.20 O ATOM 593 CB MET A 36 -10.989 1.385 1.348 1.00 44.21 C ATOM 594 CG MET A 36 -10.134 0.642 0.334 1.00 3.03 C ATOM 595 SD MET A 36 -9.640 1.682 -1.054 1.00 31.15 S ATOM 596 CE MET A 36 -11.053 1.493 -2.138 1.00 33.14 C ATOM 0 H MET A 36 -11.573 2.936 3.747 1.00 11.05 H new ATOM 0 HA MET A 36 -9.483 1.081 2.851 1.00 43.35 H new ATOM 0 HB2 MET A 36 -11.807 0.738 1.664 1.00 44.21 H new ATOM 0 HB3 MET A 36 -11.437 2.254 0.866 1.00 44.21 H new ATOM 0 HG2 MET A 36 -9.243 0.256 0.829 1.00 3.03 H new ATOM 0 HG3 MET A 36 -10.688 -0.219 -0.041 1.00 3.03 H new ATOM 0 HE1 MET A 36 -10.898 2.079 -3.044 1.00 33.14 H new ATOM 0 HE2 MET A 36 -11.171 0.442 -2.401 1.00 33.14 H new ATOM 0 HE3 MET A 36 -11.951 1.843 -1.629 1.00 33.14 H new ATOM 606 N PRO A 37 -8.463 3.459 3.107 1.00 52.42 N ATOM 607 CA PRO A 37 -7.653 4.670 2.943 1.00 65.34 C ATOM 608 C PRO A 37 -6.744 4.597 1.720 1.00 3.13 C ATOM 609 O PRO A 37 -6.470 3.514 1.201 1.00 42.31 O ATOM 610 CB PRO A 37 -6.820 4.716 4.226 1.00 22.31 C ATOM 611 CG PRO A 37 -6.744 3.299 4.679 1.00 23.53 C ATOM 612 CD PRO A 37 -8.045 2.663 4.273 1.00 44.42 C ATOM 0 HA PRO A 37 -8.270 5.555 2.787 1.00 65.34 H new ATOM 0 HB2 PRO A 37 -5.827 5.126 4.039 1.00 22.31 H new ATOM 0 HB3 PRO A 37 -7.289 5.348 4.980 1.00 22.31 H new ATOM 0 HG2 PRO A 37 -5.899 2.787 4.218 1.00 23.53 H new ATOM 0 HG3 PRO A 37 -6.602 3.242 5.758 1.00 23.53 H new ATOM 0 HD2 PRO A 37 -7.916 1.612 4.017 1.00 44.42 H new ATOM 0 HD3 PRO A 37 -8.782 2.707 5.075 1.00 44.42 H new ATOM 620 N LEU A 38 -6.278 5.755 1.265 1.00 15.23 N ATOM 621 CA LEU A 38 -5.399 5.823 0.103 1.00 10.14 C ATOM 622 C LEU A 38 -3.935 5.854 0.530 1.00 62.43 C ATOM 623 O LEU A 38 -3.621 5.729 1.713 1.00 0.11 O ATOM 624 CB LEU A 38 -5.724 7.061 -0.735 1.00 61.51 C ATOM 625 CG LEU A 38 -6.295 6.796 -2.129 1.00 14.15 C ATOM 626 CD1 LEU A 38 -5.344 5.930 -2.940 1.00 54.31 C ATOM 627 CD2 LEU A 38 -7.664 6.138 -2.028 1.00 1.25 C ATOM 0 H LEU A 38 -6.494 6.660 1.683 1.00 15.23 H new ATOM 0 HA LEU A 38 -5.564 4.930 -0.500 1.00 10.14 H new ATOM 0 HB2 LEU A 38 -6.437 7.673 -0.182 1.00 61.51 H new ATOM 0 HB3 LEU A 38 -4.814 7.651 -0.843 1.00 61.51 H new ATOM 0 HG LEU A 38 -6.410 7.751 -2.641 1.00 14.15 H new ATOM 0 HD11 LEU A 38 -5.767 5.752 -3.929 1.00 54.31 H new ATOM 0 HD12 LEU A 38 -4.386 6.439 -3.042 1.00 54.31 H new ATOM 0 HD13 LEU A 38 -5.197 4.977 -2.432 1.00 54.31 H new ATOM 0 HD21 LEU A 38 -8.055 5.957 -3.029 1.00 1.25 H new ATOM 0 HD22 LEU A 38 -7.574 5.191 -1.496 1.00 1.25 H new ATOM 0 HD23 LEU A 38 -8.344 6.795 -1.486 1.00 1.25 H new ATOM 639 N GLN A 39 -3.044 6.022 -0.442 1.00 52.14 N ATOM 640 CA GLN A 39 -1.613 6.071 -0.167 1.00 32.33 C ATOM 641 C GLN A 39 -1.229 7.396 0.482 1.00 5.30 C ATOM 642 O GLN A 39 -0.383 7.439 1.375 1.00 4.02 O ATOM 643 CB GLN A 39 -0.817 5.871 -1.457 1.00 63.23 C ATOM 644 CG GLN A 39 0.683 6.048 -1.280 1.00 53.15 C ATOM 645 CD GLN A 39 1.300 4.968 -0.414 1.00 51.01 C ATOM 646 OE1 GLN A 39 1.220 5.020 0.814 1.00 63.24 O ATOM 647 NE2 GLN A 39 1.920 3.981 -1.050 1.00 60.02 N ATOM 0 H GLN A 39 -3.288 6.126 -1.427 1.00 52.14 H new ATOM 0 HA GLN A 39 -1.374 5.265 0.527 1.00 32.33 H new ATOM 0 HB2 GLN A 39 -1.013 4.871 -1.844 1.00 63.23 H new ATOM 0 HB3 GLN A 39 -1.172 6.578 -2.207 1.00 63.23 H new ATOM 0 HG2 GLN A 39 1.164 6.042 -2.258 1.00 53.15 H new ATOM 0 HG3 GLN A 39 0.880 7.023 -0.834 1.00 53.15 H new ATOM 0 HE21 GLN A 39 1.962 3.978 -2.069 1.00 60.02 H new ATOM 0 HE22 GLN A 39 2.354 3.226 -0.519 1.00 60.02 H new ATOM 656 N SER A 40 -1.855 8.476 0.026 1.00 12.34 N ATOM 657 CA SER A 40 -1.575 9.804 0.560 1.00 53.43 C ATOM 658 C SER A 40 -2.643 10.802 0.121 1.00 0.00 C ATOM 659 O SER A 40 -3.508 11.188 0.908 1.00 60.11 O ATOM 660 CB SER A 40 -0.196 10.281 0.100 1.00 11.34 C ATOM 661 OG SER A 40 0.739 10.238 1.164 1.00 31.23 O ATOM 0 H SER A 40 -2.559 8.458 -0.712 1.00 12.34 H new ATOM 0 HA SER A 40 -1.586 9.741 1.648 1.00 53.43 H new ATOM 0 HB2 SER A 40 0.154 9.655 -0.721 1.00 11.34 H new ATOM 0 HB3 SER A 40 -0.269 11.299 -0.283 1.00 11.34 H new ATOM 0 HG SER A 40 0.719 9.352 1.581 1.00 31.23 H new ATOM 667 N ILE A 41 -2.575 11.215 -1.140 1.00 10.30 N ATOM 668 CA ILE A 41 -3.536 12.167 -1.684 1.00 63.13 C ATOM 669 C ILE A 41 -4.500 11.484 -2.649 1.00 4.14 C ATOM 670 O ILE A 41 -4.206 11.296 -3.829 1.00 71.43 O ATOM 671 CB ILE A 41 -2.830 13.324 -2.415 1.00 65.03 C ATOM 672 CG1 ILE A 41 -1.825 14.006 -1.485 1.00 2.43 C ATOM 673 CG2 ILE A 41 -3.851 14.328 -2.929 1.00 21.14 C ATOM 674 CD1 ILE A 41 -0.911 14.982 -2.193 1.00 72.11 C ATOM 0 H ILE A 41 -1.865 10.906 -1.804 1.00 10.30 H new ATOM 0 HA ILE A 41 -4.095 12.569 -0.839 1.00 63.13 H new ATOM 0 HB ILE A 41 -2.288 12.918 -3.269 1.00 65.03 H new ATOM 0 HG12 ILE A 41 -2.368 14.533 -0.701 1.00 2.43 H new ATOM 0 HG13 ILE A 41 -1.219 13.243 -0.996 1.00 2.43 H new ATOM 0 HG21 ILE A 41 -3.336 15.140 -3.443 1.00 21.14 H new ATOM 0 HG22 ILE A 41 -4.531 13.833 -3.622 1.00 21.14 H new ATOM 0 HG23 ILE A 41 -4.418 14.732 -2.090 1.00 21.14 H new ATOM 0 HD11 ILE A 41 -0.226 15.427 -1.472 1.00 72.11 H new ATOM 0 HD12 ILE A 41 -0.341 14.456 -2.959 1.00 72.11 H new ATOM 0 HD13 ILE A 41 -1.507 15.766 -2.659 1.00 72.11 H new ATOM 686 N PRO A 42 -5.680 11.105 -2.136 1.00 40.53 N ATOM 687 CA PRO A 42 -6.713 10.440 -2.936 1.00 21.14 C ATOM 688 C PRO A 42 -7.347 11.376 -3.959 1.00 64.32 C ATOM 689 O PRO A 42 -8.049 12.320 -3.599 1.00 24.22 O ATOM 690 CB PRO A 42 -7.747 10.010 -1.892 1.00 1.01 C ATOM 691 CG PRO A 42 -7.563 10.963 -0.762 1.00 21.24 C ATOM 692 CD PRO A 42 -6.097 11.298 -0.737 1.00 53.54 C ATOM 0 HA PRO A 42 -6.307 9.614 -3.520 1.00 21.14 H new ATOM 0 HB2 PRO A 42 -8.759 10.062 -2.293 1.00 1.01 H new ATOM 0 HB3 PRO A 42 -7.583 8.981 -1.573 1.00 1.01 H new ATOM 0 HG2 PRO A 42 -8.166 11.860 -0.906 1.00 21.24 H new ATOM 0 HG3 PRO A 42 -7.877 10.516 0.181 1.00 21.24 H new ATOM 0 HD2 PRO A 42 -5.924 12.321 -0.404 1.00 53.54 H new ATOM 0 HD3 PRO A 42 -5.547 10.645 -0.060 1.00 53.54 H new ATOM 700 N GLU A 43 -7.094 11.107 -5.236 1.00 71.34 N ATOM 701 CA GLU A 43 -7.641 11.926 -6.312 1.00 5.35 C ATOM 702 C GLU A 43 -7.935 11.079 -7.546 1.00 21.21 C ATOM 703 O GLU A 43 -7.167 10.181 -7.893 1.00 31.35 O ATOM 704 CB GLU A 43 -6.667 13.050 -6.671 1.00 44.25 C ATOM 705 CG GLU A 43 -6.595 14.152 -5.627 1.00 73.41 C ATOM 706 CD GLU A 43 -6.409 15.526 -6.240 1.00 74.13 C ATOM 707 OE1 GLU A 43 -7.003 15.785 -7.308 1.00 14.34 O ATOM 708 OE2 GLU A 43 -5.670 16.342 -5.652 1.00 4.21 O ATOM 0 H GLU A 43 -6.514 10.329 -5.551 1.00 71.34 H new ATOM 0 HA GLU A 43 -8.577 12.363 -5.962 1.00 5.35 H new ATOM 0 HB2 GLU A 43 -5.672 12.627 -6.809 1.00 44.25 H new ATOM 0 HB3 GLU A 43 -6.963 13.485 -7.626 1.00 44.25 H new ATOM 0 HG2 GLU A 43 -7.509 14.144 -5.033 1.00 73.41 H new ATOM 0 HG3 GLU A 43 -5.769 13.948 -4.945 1.00 73.41 H new ATOM 715 N ILE A 44 -9.052 11.371 -8.204 1.00 64.21 N ATOM 716 CA ILE A 44 -9.447 10.637 -9.399 1.00 74.45 C ATOM 717 C ILE A 44 -10.226 11.529 -10.360 1.00 45.13 C ATOM 718 O ILE A 44 -11.329 11.978 -10.052 1.00 23.20 O ATOM 719 CB ILE A 44 -10.307 9.408 -9.047 1.00 12.50 C ATOM 720 CG1 ILE A 44 -11.272 9.744 -7.908 1.00 52.20 C ATOM 721 CG2 ILE A 44 -9.420 8.232 -8.667 1.00 52.25 C ATOM 722 CD1 ILE A 44 -10.705 9.465 -6.534 1.00 12.43 C ATOM 0 H ILE A 44 -9.699 12.110 -7.930 1.00 64.21 H new ATOM 0 HA ILE A 44 -8.528 10.302 -9.881 1.00 74.45 H new ATOM 0 HB ILE A 44 -10.892 9.128 -9.924 1.00 12.50 H new ATOM 0 HG12 ILE A 44 -11.545 10.797 -7.973 1.00 52.20 H new ATOM 0 HG13 ILE A 44 -12.189 9.169 -8.038 1.00 52.20 H new ATOM 0 HG21 ILE A 44 -10.042 7.372 -8.421 1.00 52.25 H new ATOM 0 HG22 ILE A 44 -8.769 7.982 -9.505 1.00 52.25 H new ATOM 0 HG23 ILE A 44 -8.812 8.499 -7.803 1.00 52.25 H new ATOM 0 HD11 ILE A 44 -11.443 9.727 -5.776 1.00 12.43 H new ATOM 0 HD12 ILE A 44 -10.458 8.407 -6.450 1.00 12.43 H new ATOM 0 HD13 ILE A 44 -9.804 10.061 -6.384 1.00 12.43 H new ATOM 734 N GLY A 45 -9.643 11.782 -11.529 1.00 21.54 N ATOM 735 CA GLY A 45 -10.296 12.618 -12.518 1.00 74.02 C ATOM 736 C GLY A 45 -10.069 14.096 -12.269 1.00 74.11 C ATOM 737 O GLY A 45 -9.200 14.709 -12.886 1.00 4.42 O ATOM 0 H GLY A 45 -8.730 11.422 -11.808 1.00 21.54 H new ATOM 0 HA2 GLY A 45 -9.926 12.359 -13.510 1.00 74.02 H new ATOM 0 HA3 GLY A 45 -11.366 12.412 -12.514 1.00 74.02 H new ATOM 741 N ASN A 46 -10.855 14.669 -11.364 1.00 12.35 N ATOM 742 CA ASN A 46 -10.737 16.086 -11.036 1.00 70.41 C ATOM 743 C ASN A 46 -11.756 16.485 -9.973 1.00 41.12 C ATOM 744 O ASN A 46 -12.371 17.548 -10.057 1.00 1.33 O ATOM 745 CB ASN A 46 -10.932 16.939 -12.291 1.00 63.53 C ATOM 746 CG ASN A 46 -12.141 16.509 -13.100 1.00 44.42 C ATOM 747 OD1 ASN A 46 -13.269 16.903 -12.807 1.00 15.15 O ATOM 748 ND2 ASN A 46 -11.909 15.697 -14.125 1.00 44.51 N ATOM 0 H ASN A 46 -11.580 14.175 -10.844 1.00 12.35 H new ATOM 0 HA ASN A 46 -9.737 16.259 -10.638 1.00 70.41 H new ATOM 0 HB2 ASN A 46 -11.044 17.984 -12.003 1.00 63.53 H new ATOM 0 HB3 ASN A 46 -10.040 16.874 -12.914 1.00 63.53 H new ATOM 0 HD21 ASN A 46 -12.683 15.375 -14.706 1.00 44.51 H new ATOM 0 HD22 ASN A 46 -10.957 15.395 -14.331 1.00 44.51 H new ATOM 755 N ARG A 47 -11.929 15.626 -8.974 1.00 64.32 N ATOM 756 CA ARG A 47 -12.873 15.888 -7.895 1.00 40.31 C ATOM 757 C ARG A 47 -14.304 15.933 -8.423 1.00 62.45 C ATOM 758 O ARG A 47 -14.699 16.883 -9.099 1.00 44.03 O ATOM 759 CB ARG A 47 -12.533 17.209 -7.201 1.00 71.33 C ATOM 760 CG ARG A 47 -11.063 17.346 -6.840 1.00 50.24 C ATOM 761 CD ARG A 47 -10.776 16.794 -5.453 1.00 30.01 C ATOM 762 NE ARG A 47 -11.173 15.394 -5.328 1.00 13.21 N ATOM 763 CZ ARG A 47 -10.543 14.394 -5.934 1.00 40.43 C ATOM 764 NH1 ARG A 47 -9.491 14.639 -6.703 1.00 61.13 N ATOM 765 NH2 ARG A 47 -10.965 13.147 -5.772 1.00 25.25 N ATOM 0 H ARG A 47 -11.427 14.742 -8.890 1.00 64.32 H new ATOM 0 HA ARG A 47 -12.796 15.075 -7.173 1.00 40.31 H new ATOM 0 HB2 ARG A 47 -12.817 18.036 -7.852 1.00 71.33 H new ATOM 0 HB3 ARG A 47 -13.131 17.298 -6.294 1.00 71.33 H new ATOM 0 HG2 ARG A 47 -10.456 16.818 -7.576 1.00 50.24 H new ATOM 0 HG3 ARG A 47 -10.773 18.396 -6.882 1.00 50.24 H new ATOM 0 HD2 ARG A 47 -9.712 16.890 -5.238 1.00 30.01 H new ATOM 0 HD3 ARG A 47 -11.306 17.389 -4.709 1.00 30.01 H new ATOM 0 HE ARG A 47 -11.979 15.172 -4.743 1.00 13.21 H new ATOM 0 HH11 ARG A 47 -9.164 15.597 -6.830 1.00 61.13 H new ATOM 0 HH12 ARG A 47 -9.009 13.870 -7.167 1.00 61.13 H new ATOM 0 HH21 ARG A 47 -11.774 12.955 -5.181 1.00 25.25 H new ATOM 0 HH22 ARG A 47 -10.480 12.380 -6.238 1.00 25.25 H new ATOM 779 N LYS A 48 -15.077 14.898 -8.111 1.00 65.24 N ATOM 780 CA LYS A 48 -16.464 14.817 -8.553 1.00 43.42 C ATOM 781 C LYS A 48 -17.328 14.120 -7.508 1.00 31.50 C ATOM 782 O LYS A 48 -18.438 13.675 -7.803 1.00 63.14 O ATOM 783 CB LYS A 48 -16.554 14.070 -9.886 1.00 4.51 C ATOM 784 CG LYS A 48 -16.825 14.977 -11.074 1.00 71.11 C ATOM 785 CD LYS A 48 -16.249 14.402 -12.357 1.00 73.22 C ATOM 786 CE LYS A 48 -17.220 13.437 -13.021 1.00 13.33 C ATOM 787 NZ LYS A 48 -16.629 12.080 -13.185 1.00 12.33 N ATOM 0 H LYS A 48 -14.766 14.103 -7.553 1.00 65.24 H new ATOM 0 HA LYS A 48 -16.836 15.833 -8.687 1.00 43.42 H new ATOM 0 HB2 LYS A 48 -15.621 13.532 -10.055 1.00 4.51 H new ATOM 0 HB3 LYS A 48 -17.345 13.323 -9.822 1.00 4.51 H new ATOM 0 HG2 LYS A 48 -17.900 15.118 -11.188 1.00 71.11 H new ATOM 0 HG3 LYS A 48 -16.393 15.960 -10.888 1.00 71.11 H new ATOM 0 HD2 LYS A 48 -16.012 15.213 -13.046 1.00 73.22 H new ATOM 0 HD3 LYS A 48 -15.314 13.886 -12.138 1.00 73.22 H new ATOM 0 HE2 LYS A 48 -18.129 13.367 -12.423 1.00 13.33 H new ATOM 0 HE3 LYS A 48 -17.510 13.827 -13.997 1.00 13.33 H new ATOM 0 HZ1 LYS A 48 -17.359 11.360 -13.010 1.00 12.33 H new ATOM 0 HZ2 LYS A 48 -16.264 11.975 -14.153 1.00 12.33 H new ATOM 0 HZ3 LYS A 48 -15.851 11.956 -12.506 1.00 12.33 H new ATOM 801 N ILE A 49 -16.813 14.028 -6.286 1.00 54.44 N ATOM 802 CA ILE A 49 -17.540 13.387 -5.198 1.00 10.13 C ATOM 803 C ILE A 49 -18.355 14.404 -4.406 1.00 41.53 C ATOM 804 O ILE A 49 -19.035 14.055 -3.442 1.00 43.43 O ATOM 805 CB ILE A 49 -16.584 12.654 -4.238 1.00 74.43 C ATOM 806 CG1 ILE A 49 -15.544 11.858 -5.029 1.00 43.33 C ATOM 807 CG2 ILE A 49 -17.367 11.736 -3.310 1.00 44.32 C ATOM 808 CD1 ILE A 49 -14.267 12.627 -5.291 1.00 73.42 C ATOM 0 H ILE A 49 -15.895 14.389 -6.025 1.00 54.44 H new ATOM 0 HA ILE A 49 -18.213 12.661 -5.654 1.00 10.13 H new ATOM 0 HB ILE A 49 -16.063 13.395 -3.631 1.00 74.43 H new ATOM 0 HG12 ILE A 49 -15.304 10.946 -4.483 1.00 43.33 H new ATOM 0 HG13 ILE A 49 -15.978 11.554 -5.982 1.00 43.33 H new ATOM 0 HG21 ILE A 49 -16.678 11.225 -2.638 1.00 44.32 H new ATOM 0 HG22 ILE A 49 -18.074 12.326 -2.726 1.00 44.32 H new ATOM 0 HG23 ILE A 49 -17.911 10.999 -3.901 1.00 44.32 H new ATOM 0 HD11 ILE A 49 -13.575 12.002 -5.856 1.00 73.42 H new ATOM 0 HD12 ILE A 49 -14.495 13.526 -5.864 1.00 73.42 H new ATOM 0 HD13 ILE A 49 -13.810 12.908 -4.342 1.00 73.42 H new ATOM 820 N ASN A 50 -18.282 15.665 -4.822 1.00 74.22 N ATOM 821 CA ASN A 50 -19.015 16.734 -4.153 1.00 23.22 C ATOM 822 C ASN A 50 -20.501 16.669 -4.491 1.00 11.32 C ATOM 823 O ASN A 50 -20.887 16.181 -5.554 1.00 22.02 O ATOM 824 CB ASN A 50 -18.448 18.097 -4.554 1.00 3.24 C ATOM 825 CG ASN A 50 -19.141 19.243 -3.843 1.00 13.31 C ATOM 826 OD1 ASN A 50 -19.396 19.179 -2.640 1.00 52.32 O ATOM 827 ND2 ASN A 50 -19.450 20.300 -4.586 1.00 74.40 N ATOM 0 H ASN A 50 -17.723 15.971 -5.619 1.00 74.22 H new ATOM 0 HA ASN A 50 -18.900 16.602 -3.077 1.00 23.22 H new ATOM 0 HB2 ASN A 50 -17.382 18.125 -4.329 1.00 3.24 H new ATOM 0 HB3 ASN A 50 -18.549 18.227 -5.631 1.00 3.24 H new ATOM 0 HD21 ASN A 50 -19.918 21.102 -4.163 1.00 74.40 H new ATOM 0 HD22 ASN A 50 -19.220 20.310 -5.580 1.00 74.40 H new ATOM 834 N LEU A 51 -21.331 17.166 -3.580 1.00 71.31 N ATOM 835 CA LEU A 51 -22.776 17.166 -3.781 1.00 70.30 C ATOM 836 C LEU A 51 -23.180 18.197 -4.830 1.00 61.31 C ATOM 837 O LEU A 51 -24.258 18.109 -5.419 1.00 4.31 O ATOM 838 CB LEU A 51 -23.494 17.455 -2.462 1.00 12.42 C ATOM 839 CG LEU A 51 -25.019 17.539 -2.532 1.00 74.51 C ATOM 840 CD1 LEU A 51 -25.649 16.777 -1.376 1.00 53.02 C ATOM 841 CD2 LEU A 51 -25.475 18.990 -2.528 1.00 52.41 C ATOM 0 H LEU A 51 -21.028 17.574 -2.695 1.00 71.31 H new ATOM 0 HA LEU A 51 -23.068 16.178 -4.138 1.00 70.30 H new ATOM 0 HB2 LEU A 51 -23.225 16.677 -1.747 1.00 12.42 H new ATOM 0 HB3 LEU A 51 -23.116 18.397 -2.065 1.00 12.42 H new ATOM 0 HG LEU A 51 -25.346 17.080 -3.465 1.00 74.51 H new ATOM 0 HD11 LEU A 51 -26.735 16.848 -1.442 1.00 53.02 H new ATOM 0 HD12 LEU A 51 -25.350 15.730 -1.425 1.00 53.02 H new ATOM 0 HD13 LEU A 51 -25.314 17.206 -0.432 1.00 53.02 H new ATOM 0 HD21 LEU A 51 -26.563 19.030 -2.578 1.00 52.41 H new ATOM 0 HD22 LEU A 51 -25.136 19.475 -1.613 1.00 52.41 H new ATOM 0 HD23 LEU A 51 -25.053 19.506 -3.390 1.00 52.41 H new ATOM 853 N PHE A 52 -22.307 19.172 -5.061 1.00 31.15 N ATOM 854 CA PHE A 52 -22.572 20.219 -6.040 1.00 0.31 C ATOM 855 C PHE A 52 -21.919 19.889 -7.379 1.00 54.32 C ATOM 856 O PHE A 52 -22.462 20.200 -8.440 1.00 2.42 O ATOM 857 CB PHE A 52 -22.059 21.567 -5.528 1.00 60.02 C ATOM 858 CG PHE A 52 -22.963 22.719 -5.862 1.00 73.34 C ATOM 859 CD1 PHE A 52 -24.271 22.745 -5.405 1.00 41.31 C ATOM 860 CD2 PHE A 52 -22.506 23.775 -6.634 1.00 62.53 C ATOM 861 CE1 PHE A 52 -25.106 23.804 -5.710 1.00 63.15 C ATOM 862 CE2 PHE A 52 -23.336 24.836 -6.942 1.00 63.25 C ATOM 863 CZ PHE A 52 -24.638 24.850 -6.481 1.00 65.01 C ATOM 0 H PHE A 52 -21.410 19.259 -4.583 1.00 31.15 H new ATOM 0 HA PHE A 52 -23.650 20.280 -6.187 1.00 0.31 H new ATOM 0 HB2 PHE A 52 -21.937 21.513 -4.446 1.00 60.02 H new ATOM 0 HB3 PHE A 52 -21.072 21.755 -5.951 1.00 60.02 H new ATOM 0 HD1 PHE A 52 -24.643 21.929 -4.804 1.00 41.31 H new ATOM 0 HD2 PHE A 52 -21.490 23.769 -6.999 1.00 62.53 H new ATOM 0 HE1 PHE A 52 -26.123 23.813 -5.346 1.00 63.15 H new ATOM 0 HE2 PHE A 52 -22.967 25.654 -7.543 1.00 63.25 H new ATOM 0 HZ PHE A 52 -25.289 25.677 -6.723 1.00 65.01 H new ATOM 873 N TYR A 53 -20.752 19.258 -7.322 1.00 11.01 N ATOM 874 CA TYR A 53 -20.023 18.888 -8.529 1.00 52.13 C ATOM 875 C TYR A 53 -20.693 17.710 -9.231 1.00 2.25 C ATOM 876 O TYR A 53 -20.951 17.754 -10.434 1.00 72.11 O ATOM 877 CB TYR A 53 -18.574 18.536 -8.188 1.00 13.12 C ATOM 878 CG TYR A 53 -17.611 18.763 -9.330 1.00 44.35 C ATOM 879 CD1 TYR A 53 -17.816 18.167 -10.568 1.00 74.22 C ATOM 880 CD2 TYR A 53 -16.494 19.576 -9.172 1.00 74.33 C ATOM 881 CE1 TYR A 53 -16.938 18.371 -11.615 1.00 0.15 C ATOM 882 CE2 TYR A 53 -15.611 19.787 -10.214 1.00 33.14 C ATOM 883 CZ TYR A 53 -15.837 19.182 -11.432 1.00 52.15 C ATOM 884 OH TYR A 53 -14.961 19.389 -12.473 1.00 5.32 O ATOM 0 H TYR A 53 -20.290 18.992 -6.452 1.00 11.01 H new ATOM 0 HA TYR A 53 -20.032 19.743 -9.205 1.00 52.13 H new ATOM 0 HB2 TYR A 53 -18.256 19.131 -7.332 1.00 13.12 H new ATOM 0 HB3 TYR A 53 -18.525 17.490 -7.885 1.00 13.12 H new ATOM 0 HD1 TYR A 53 -18.678 17.533 -10.715 1.00 74.22 H new ATOM 0 HD2 TYR A 53 -16.313 20.051 -8.219 1.00 74.33 H new ATOM 0 HE1 TYR A 53 -17.112 17.899 -12.570 1.00 0.15 H new ATOM 0 HE2 TYR A 53 -14.749 20.422 -10.075 1.00 33.14 H new ATOM 0 HH TYR A 53 -14.414 18.586 -12.605 1.00 5.32 H new ATOM 894 N LEU A 54 -20.972 16.658 -8.469 1.00 50.11 N ATOM 895 CA LEU A 54 -21.613 15.467 -9.015 1.00 63.24 C ATOM 896 C LEU A 54 -22.964 15.810 -9.634 1.00 41.31 C ATOM 897 O LEU A 54 -23.388 15.189 -10.609 1.00 30.55 O ATOM 898 CB LEU A 54 -21.793 14.413 -7.921 1.00 12.41 C ATOM 899 CG LEU A 54 -22.540 13.143 -8.329 1.00 30.03 C ATOM 900 CD1 LEU A 54 -21.932 11.925 -7.651 1.00 4.24 C ATOM 901 CD2 LEU A 54 -24.019 13.261 -7.989 1.00 43.44 C ATOM 0 H LEU A 54 -20.764 16.606 -7.472 1.00 50.11 H new ATOM 0 HA LEU A 54 -20.968 15.064 -9.796 1.00 63.24 H new ATOM 0 HB2 LEU A 54 -20.807 14.128 -7.553 1.00 12.41 H new ATOM 0 HB3 LEU A 54 -22.325 14.871 -7.087 1.00 12.41 H new ATOM 0 HG LEU A 54 -22.444 13.019 -9.408 1.00 30.03 H new ATOM 0 HD11 LEU A 54 -22.477 11.031 -7.953 1.00 4.24 H new ATOM 0 HD12 LEU A 54 -20.886 11.830 -7.944 1.00 4.24 H new ATOM 0 HD13 LEU A 54 -21.997 12.041 -6.569 1.00 4.24 H new ATOM 0 HD21 LEU A 54 -24.535 12.348 -8.287 1.00 43.44 H new ATOM 0 HD22 LEU A 54 -24.135 13.410 -6.915 1.00 43.44 H new ATOM 0 HD23 LEU A 54 -24.448 14.110 -8.521 1.00 43.44 H new ATOM 913 N TYR A 55 -23.634 16.805 -9.063 1.00 72.13 N ATOM 914 CA TYR A 55 -24.938 17.231 -9.559 1.00 4.55 C ATOM 915 C TYR A 55 -24.791 18.073 -10.822 1.00 53.44 C ATOM 916 O TYR A 55 -25.503 17.867 -11.805 1.00 14.14 O ATOM 917 CB TYR A 55 -25.679 18.029 -8.484 1.00 43.01 C ATOM 918 CG TYR A 55 -27.056 18.485 -8.911 1.00 3.24 C ATOM 919 CD1 TYR A 55 -28.058 17.565 -9.189 1.00 74.45 C ATOM 920 CD2 TYR A 55 -27.354 19.836 -9.036 1.00 1.44 C ATOM 921 CE1 TYR A 55 -29.318 17.977 -9.580 1.00 61.51 C ATOM 922 CE2 TYR A 55 -28.611 20.257 -9.424 1.00 41.51 C ATOM 923 CZ TYR A 55 -29.589 19.324 -9.695 1.00 73.15 C ATOM 924 OH TYR A 55 -30.842 19.739 -10.084 1.00 53.42 O ATOM 0 H TYR A 55 -23.296 17.331 -8.257 1.00 72.13 H new ATOM 0 HA TYR A 55 -25.515 16.339 -9.804 1.00 4.55 H new ATOM 0 HB2 TYR A 55 -25.770 17.417 -7.587 1.00 43.01 H new ATOM 0 HB3 TYR A 55 -25.083 18.901 -8.216 1.00 43.01 H new ATOM 0 HD1 TYR A 55 -27.849 16.509 -9.098 1.00 74.45 H new ATOM 0 HD2 TYR A 55 -26.590 20.570 -8.826 1.00 1.44 H new ATOM 0 HE1 TYR A 55 -30.086 17.248 -9.794 1.00 61.51 H new ATOM 0 HE2 TYR A 55 -28.826 21.311 -9.515 1.00 41.51 H new ATOM 0 HH TYR A 55 -30.867 20.718 -10.115 1.00 53.42 H new ATOM 934 N MET A 56 -23.862 19.023 -10.789 1.00 22.41 N ATOM 935 CA MET A 56 -23.620 19.895 -11.932 1.00 4.31 C ATOM 936 C MET A 56 -23.235 19.083 -13.164 1.00 63.12 C ATOM 937 O MET A 56 -23.627 19.412 -14.284 1.00 74.45 O ATOM 938 CB MET A 56 -22.516 20.904 -11.606 1.00 70.52 C ATOM 939 CG MET A 56 -22.073 21.728 -12.804 1.00 15.20 C ATOM 940 SD MET A 56 -21.813 23.465 -12.394 1.00 33.42 S ATOM 941 CE MET A 56 -23.503 24.056 -12.336 1.00 31.31 C ATOM 0 H MET A 56 -23.265 19.208 -9.983 1.00 22.41 H new ATOM 0 HA MET A 56 -24.543 20.434 -12.148 1.00 4.31 H new ATOM 0 HB2 MET A 56 -22.869 21.576 -10.824 1.00 70.52 H new ATOM 0 HB3 MET A 56 -21.655 20.371 -11.204 1.00 70.52 H new ATOM 0 HG2 MET A 56 -21.149 21.311 -13.205 1.00 15.20 H new ATOM 0 HG3 MET A 56 -22.825 21.653 -13.590 1.00 15.20 H new ATOM 0 HE1 MET A 56 -23.509 25.118 -12.093 1.00 31.31 H new ATOM 0 HE2 MET A 56 -23.975 23.903 -13.306 1.00 31.31 H new ATOM 0 HE3 MET A 56 -24.055 23.506 -11.573 1.00 31.31 H new ATOM 951 N LEU A 57 -22.465 18.022 -12.951 1.00 23.32 N ATOM 952 CA LEU A 57 -22.026 17.162 -14.045 1.00 13.02 C ATOM 953 C LEU A 57 -23.214 16.457 -14.693 1.00 3.31 C ATOM 954 O LEU A 57 -23.353 16.451 -15.916 1.00 72.31 O ATOM 955 CB LEU A 57 -21.021 16.128 -13.535 1.00 62.15 C ATOM 956 CG LEU A 57 -20.062 15.553 -14.579 1.00 74.11 C ATOM 957 CD1 LEU A 57 -18.668 16.132 -14.400 1.00 2.34 C ATOM 958 CD2 LEU A 57 -20.026 14.034 -14.491 1.00 14.23 C ATOM 0 H LEU A 57 -22.131 17.736 -12.030 1.00 23.32 H new ATOM 0 HA LEU A 57 -21.544 17.788 -14.796 1.00 13.02 H new ATOM 0 HB2 LEU A 57 -20.431 16.585 -12.741 1.00 62.15 H new ATOM 0 HB3 LEU A 57 -21.575 15.303 -13.086 1.00 62.15 H new ATOM 0 HG LEU A 57 -20.424 15.831 -15.569 1.00 74.11 H new ATOM 0 HD11 LEU A 57 -18.000 15.711 -15.152 1.00 2.34 H new ATOM 0 HD12 LEU A 57 -18.707 17.215 -14.514 1.00 2.34 H new ATOM 0 HD13 LEU A 57 -18.296 15.885 -13.405 1.00 2.34 H new ATOM 0 HD21 LEU A 57 -19.339 13.642 -15.241 1.00 14.23 H new ATOM 0 HD22 LEU A 57 -19.689 13.735 -13.498 1.00 14.23 H new ATOM 0 HD23 LEU A 57 -21.024 13.635 -14.670 1.00 14.23 H new ATOM 970 N VAL A 58 -24.069 15.866 -13.864 1.00 42.34 N ATOM 971 CA VAL A 58 -25.247 15.162 -14.356 1.00 64.52 C ATOM 972 C VAL A 58 -26.149 16.092 -15.158 1.00 50.53 C ATOM 973 O VAL A 58 -26.564 15.764 -16.270 1.00 2.55 O ATOM 974 CB VAL A 58 -26.058 14.549 -13.199 1.00 51.02 C ATOM 975 CG1 VAL A 58 -27.249 13.769 -13.736 1.00 3.31 C ATOM 976 CG2 VAL A 58 -25.172 13.660 -12.340 1.00 1.24 C ATOM 0 H VAL A 58 -23.968 15.861 -12.849 1.00 42.34 H new ATOM 0 HA VAL A 58 -24.889 14.361 -15.004 1.00 64.52 H new ATOM 0 HB VAL A 58 -26.436 15.359 -12.575 1.00 51.02 H new ATOM 0 HG11 VAL A 58 -27.810 13.343 -12.904 1.00 3.31 H new ATOM 0 HG12 VAL A 58 -27.895 14.437 -14.305 1.00 3.31 H new ATOM 0 HG13 VAL A 58 -26.896 12.967 -14.384 1.00 3.31 H new ATOM 0 HG21 VAL A 58 -25.761 13.235 -11.527 1.00 1.24 H new ATOM 0 HG22 VAL A 58 -24.763 12.855 -12.951 1.00 1.24 H new ATOM 0 HG23 VAL A 58 -24.356 14.252 -11.925 1.00 1.24 H new ATOM 986 N GLN A 59 -26.448 17.255 -14.587 1.00 73.40 N ATOM 987 CA GLN A 59 -27.302 18.233 -15.249 1.00 52.45 C ATOM 988 C GLN A 59 -26.692 18.681 -16.573 1.00 64.15 C ATOM 989 O GLN A 59 -27.406 18.945 -17.541 1.00 64.32 O ATOM 990 CB GLN A 59 -27.525 19.444 -14.342 1.00 10.41 C ATOM 991 CG GLN A 59 -28.962 19.940 -14.330 1.00 72.41 C ATOM 992 CD GLN A 59 -29.069 21.413 -13.990 1.00 50.11 C ATOM 993 OE1 GLN A 59 -28.073 22.137 -13.994 1.00 63.31 O ATOM 994 NE2 GLN A 59 -30.281 21.866 -13.693 1.00 55.15 N ATOM 0 H GLN A 59 -26.111 17.542 -13.668 1.00 73.40 H new ATOM 0 HA GLN A 59 -28.262 17.759 -15.454 1.00 52.45 H new ATOM 0 HB2 GLN A 59 -27.231 19.185 -13.325 1.00 10.41 H new ATOM 0 HB3 GLN A 59 -26.872 20.255 -14.666 1.00 10.41 H new ATOM 0 HG2 GLN A 59 -29.411 19.763 -15.307 1.00 72.41 H new ATOM 0 HG3 GLN A 59 -29.536 19.361 -13.606 1.00 72.41 H new ATOM 0 HE21 GLN A 59 -31.079 21.231 -13.702 1.00 55.15 H new ATOM 0 HE22 GLN A 59 -30.414 22.849 -13.456 1.00 55.15 H new ATOM 1003 N LYS A 60 -25.366 18.765 -16.610 1.00 31.14 N ATOM 1004 CA LYS A 60 -24.658 19.180 -17.815 1.00 22.33 C ATOM 1005 C LYS A 60 -24.748 18.107 -18.895 1.00 71.12 C ATOM 1006 O LYS A 60 -24.835 18.415 -20.084 1.00 65.01 O ATOM 1007 CB LYS A 60 -23.190 19.473 -17.493 1.00 75.43 C ATOM 1008 CG LYS A 60 -22.878 20.954 -17.375 1.00 1.25 C ATOM 1009 CD LYS A 60 -21.800 21.377 -18.359 1.00 13.43 C ATOM 1010 CE LYS A 60 -21.736 22.891 -18.498 1.00 73.44 C ATOM 1011 NZ LYS A 60 -20.349 23.405 -18.330 1.00 40.03 N ATOM 0 H LYS A 60 -24.760 18.551 -15.818 1.00 31.14 H new ATOM 0 HA LYS A 60 -25.130 20.088 -18.190 1.00 22.33 H new ATOM 0 HB2 LYS A 60 -22.926 18.979 -16.558 1.00 75.43 H new ATOM 0 HB3 LYS A 60 -22.562 19.039 -18.271 1.00 75.43 H new ATOM 0 HG2 LYS A 60 -23.784 21.533 -17.555 1.00 1.25 H new ATOM 0 HG3 LYS A 60 -22.553 21.178 -16.359 1.00 1.25 H new ATOM 0 HD2 LYS A 60 -20.833 21.000 -18.026 1.00 13.43 H new ATOM 0 HD3 LYS A 60 -21.998 20.929 -19.333 1.00 13.43 H new ATOM 0 HE2 LYS A 60 -22.115 23.182 -19.478 1.00 73.44 H new ATOM 0 HE3 LYS A 60 -22.387 23.352 -17.755 1.00 73.44 H new ATOM 0 HZ1 LYS A 60 -20.348 24.440 -18.432 1.00 40.03 H new ATOM 0 HZ2 LYS A 60 -19.996 23.149 -17.386 1.00 40.03 H new ATOM 0 HZ3 LYS A 60 -19.733 22.985 -19.055 1.00 40.03 H new ATOM 1025 N PHE A 61 -24.729 16.847 -18.474 1.00 70.54 N ATOM 1026 CA PHE A 61 -24.809 15.728 -19.407 1.00 33.04 C ATOM 1027 C PHE A 61 -26.236 15.547 -19.918 1.00 4.51 C ATOM 1028 O PHE A 61 -26.484 14.763 -20.833 1.00 13.43 O ATOM 1029 CB PHE A 61 -24.330 14.440 -18.734 1.00 0.24 C ATOM 1030 CG PHE A 61 -22.840 14.255 -18.787 1.00 35.41 C ATOM 1031 CD1 PHE A 61 -21.988 15.268 -18.380 1.00 23.12 C ATOM 1032 CD2 PHE A 61 -22.293 13.067 -19.245 1.00 31.24 C ATOM 1033 CE1 PHE A 61 -20.617 15.100 -18.427 1.00 45.21 C ATOM 1034 CE2 PHE A 61 -20.923 12.893 -19.294 1.00 2.31 C ATOM 1035 CZ PHE A 61 -20.084 13.912 -18.886 1.00 25.42 C ATOM 0 H PHE A 61 -24.659 16.575 -17.494 1.00 70.54 H new ATOM 0 HA PHE A 61 -24.162 15.949 -20.256 1.00 33.04 H new ATOM 0 HB2 PHE A 61 -24.651 14.443 -17.692 1.00 0.24 H new ATOM 0 HB3 PHE A 61 -24.811 13.588 -19.214 1.00 0.24 H new ATOM 0 HD1 PHE A 61 -22.400 16.200 -18.022 1.00 23.12 H new ATOM 0 HD2 PHE A 61 -22.945 12.268 -19.567 1.00 31.24 H new ATOM 0 HE1 PHE A 61 -19.963 15.897 -18.105 1.00 45.21 H new ATOM 0 HE2 PHE A 61 -20.509 11.962 -19.651 1.00 2.31 H new ATOM 0 HZ PHE A 61 -19.013 13.779 -18.926 1.00 25.42 H new ATOM 1045 N GLY A 62 -27.170 16.280 -19.319 1.00 30.21 N ATOM 1046 CA GLY A 62 -28.560 16.186 -19.726 1.00 1.14 C ATOM 1047 C GLY A 62 -29.378 15.312 -18.796 1.00 54.20 C ATOM 1048 O GLY A 62 -30.426 14.795 -19.181 1.00 51.11 O ATOM 0 H GLY A 62 -26.989 16.937 -18.560 1.00 30.21 H new ATOM 0 HA2 GLY A 62 -28.995 17.185 -19.757 1.00 1.14 H new ATOM 0 HA3 GLY A 62 -28.613 15.784 -20.738 1.00 1.14 H new ATOM 1052 N GLY A 63 -28.898 15.145 -17.567 1.00 53.33 N ATOM 1053 CA GLY A 63 -29.604 14.326 -16.600 1.00 34.30 C ATOM 1054 C GLY A 63 -29.088 12.901 -16.560 1.00 41.22 C ATOM 1055 O GLY A 63 -28.500 12.420 -17.528 1.00 71.32 O ATOM 0 H GLY A 63 -28.033 15.563 -17.224 1.00 53.33 H new ATOM 0 HA2 GLY A 63 -29.506 14.772 -15.610 1.00 34.30 H new ATOM 0 HA3 GLY A 63 -30.667 14.318 -16.843 1.00 34.30 H new ATOM 1059 N ALA A 64 -29.306 12.226 -15.437 1.00 31.53 N ATOM 1060 CA ALA A 64 -28.859 10.848 -15.275 1.00 23.22 C ATOM 1061 C ALA A 64 -29.341 9.975 -16.428 1.00 73.31 C ATOM 1062 O ALA A 64 -28.666 9.024 -16.824 1.00 54.44 O ATOM 1063 CB ALA A 64 -29.345 10.287 -13.947 1.00 14.54 C ATOM 0 H ALA A 64 -29.790 12.611 -14.625 1.00 31.53 H new ATOM 0 HA ALA A 64 -27.769 10.844 -15.281 1.00 23.22 H new ATOM 0 HB1 ALA A 64 -29.004 9.257 -13.840 1.00 14.54 H new ATOM 0 HB2 ALA A 64 -28.946 10.888 -13.130 1.00 14.54 H new ATOM 0 HB3 ALA A 64 -30.434 10.313 -13.918 1.00 14.54 H new ATOM 1069 N ASP A 65 -30.513 10.303 -16.962 1.00 63.40 N ATOM 1070 CA ASP A 65 -31.086 9.548 -18.071 1.00 4.13 C ATOM 1071 C ASP A 65 -30.222 9.679 -19.321 1.00 43.21 C ATOM 1072 O ASP A 65 -30.064 8.723 -20.080 1.00 44.40 O ATOM 1073 CB ASP A 65 -32.507 10.032 -18.364 1.00 64.24 C ATOM 1074 CG ASP A 65 -33.557 9.224 -17.628 1.00 0.25 C ATOM 1075 OD1 ASP A 65 -33.397 7.989 -17.532 1.00 0.25 O ATOM 1076 OD2 ASP A 65 -34.539 9.827 -17.146 1.00 44.31 O ATOM 0 H ASP A 65 -31.084 11.086 -16.645 1.00 63.40 H new ATOM 0 HA ASP A 65 -31.121 8.497 -17.784 1.00 4.13 H new ATOM 0 HB2 ASP A 65 -32.596 11.081 -18.081 1.00 64.24 H new ATOM 0 HB3 ASP A 65 -32.694 9.974 -19.436 1.00 64.24 H new ATOM 1081 N GLN A 66 -29.667 10.869 -19.529 1.00 23.13 N ATOM 1082 CA GLN A 66 -28.821 11.125 -20.688 1.00 64.33 C ATOM 1083 C GLN A 66 -27.499 10.373 -20.574 1.00 64.31 C ATOM 1084 O GLN A 66 -26.979 9.857 -21.563 1.00 64.44 O ATOM 1085 CB GLN A 66 -28.557 12.625 -20.833 1.00 21.52 C ATOM 1086 CG GLN A 66 -28.339 13.068 -22.270 1.00 43.23 C ATOM 1087 CD GLN A 66 -29.166 14.284 -22.638 1.00 11.12 C ATOM 1088 OE1 GLN A 66 -30.310 14.425 -22.204 1.00 42.31 O ATOM 1089 NE2 GLN A 66 -28.591 15.171 -23.441 1.00 42.04 N ATOM 0 H GLN A 66 -29.788 11.671 -18.910 1.00 23.13 H new ATOM 0 HA GLN A 66 -29.346 10.769 -21.574 1.00 64.33 H new ATOM 0 HB2 GLN A 66 -29.400 13.176 -20.416 1.00 21.52 H new ATOM 0 HB3 GLN A 66 -27.680 12.890 -20.243 1.00 21.52 H new ATOM 0 HG2 GLN A 66 -27.283 13.292 -22.421 1.00 43.23 H new ATOM 0 HG3 GLN A 66 -28.589 12.247 -22.941 1.00 43.23 H new ATOM 0 HE21 GLN A 66 -27.641 15.014 -23.777 1.00 42.04 H new ATOM 0 HE22 GLN A 66 -29.099 16.010 -23.722 1.00 42.04 H new ATOM 1098 N VAL A 67 -26.959 10.315 -19.361 1.00 32.15 N ATOM 1099 CA VAL A 67 -25.698 9.625 -19.117 1.00 1.44 C ATOM 1100 C VAL A 67 -25.847 8.121 -19.313 1.00 71.10 C ATOM 1101 O VAL A 67 -24.939 7.455 -19.812 1.00 32.02 O ATOM 1102 CB VAL A 67 -25.176 9.897 -17.693 1.00 60.12 C ATOM 1103 CG1 VAL A 67 -23.767 9.348 -17.527 1.00 51.21 C ATOM 1104 CG2 VAL A 67 -25.216 11.386 -17.386 1.00 54.44 C ATOM 0 H VAL A 67 -27.375 10.738 -18.531 1.00 32.15 H new ATOM 0 HA VAL A 67 -24.980 10.013 -19.840 1.00 1.44 H new ATOM 0 HB VAL A 67 -25.826 9.386 -16.983 1.00 60.12 H new ATOM 0 HG11 VAL A 67 -23.415 9.549 -16.515 1.00 51.21 H new ATOM 0 HG12 VAL A 67 -23.773 8.272 -17.702 1.00 51.21 H new ATOM 0 HG13 VAL A 67 -23.102 9.829 -18.245 1.00 51.21 H new ATOM 0 HG21 VAL A 67 -24.844 11.559 -16.376 1.00 54.44 H new ATOM 0 HG22 VAL A 67 -24.591 11.922 -18.100 1.00 54.44 H new ATOM 0 HG23 VAL A 67 -26.242 11.746 -17.461 1.00 54.44 H new ATOM 1114 N THR A 68 -27.000 7.589 -18.918 1.00 1.42 N ATOM 1115 CA THR A 68 -27.269 6.163 -19.049 1.00 42.14 C ATOM 1116 C THR A 68 -27.774 5.826 -20.448 1.00 23.44 C ATOM 1117 O THR A 68 -27.613 4.701 -20.921 1.00 30.50 O ATOM 1118 CB THR A 68 -28.305 5.689 -18.013 1.00 73.13 C ATOM 1119 OG1 THR A 68 -28.466 4.268 -18.096 1.00 2.43 O ATOM 1120 CG2 THR A 68 -29.647 6.370 -18.239 1.00 23.20 C ATOM 0 H THR A 68 -27.763 8.125 -18.504 1.00 1.42 H new ATOM 0 HA THR A 68 -26.326 5.645 -18.871 1.00 42.14 H new ATOM 0 HB THR A 68 -27.942 5.956 -17.021 1.00 73.13 H new ATOM 0 HG1 THR A 68 -29.125 3.974 -17.433 1.00 2.43 H new ATOM 0 HG21 THR A 68 -30.363 6.019 -17.495 1.00 23.20 H new ATOM 0 HG22 THR A 68 -29.527 7.449 -18.147 1.00 23.20 H new ATOM 0 HG23 THR A 68 -30.014 6.130 -19.237 1.00 23.20 H new ATOM 1128 N ARG A 69 -28.384 6.807 -21.104 1.00 71.31 N ATOM 1129 CA ARG A 69 -28.913 6.613 -22.449 1.00 30.32 C ATOM 1130 C ARG A 69 -27.829 6.096 -23.390 1.00 70.31 C ATOM 1131 O ARG A 69 -28.072 5.206 -24.206 1.00 52.24 O ATOM 1132 CB ARG A 69 -29.488 7.924 -22.988 1.00 34.24 C ATOM 1133 CG ARG A 69 -30.032 7.814 -24.403 1.00 3.41 C ATOM 1134 CD ARG A 69 -29.003 8.260 -25.430 1.00 52.24 C ATOM 1135 NE ARG A 69 -29.324 9.569 -25.994 1.00 21.13 N ATOM 1136 CZ ARG A 69 -28.766 10.050 -27.099 1.00 72.12 C ATOM 1137 NH1 ARG A 69 -27.865 9.333 -27.757 1.00 0.52 N ATOM 1138 NH2 ARG A 69 -29.110 11.250 -27.549 1.00 72.24 N ATOM 0 H ARG A 69 -28.524 7.744 -20.726 1.00 71.31 H new ATOM 0 HA ARG A 69 -29.709 5.870 -22.396 1.00 30.32 H new ATOM 0 HB2 ARG A 69 -30.286 8.260 -22.326 1.00 34.24 H new ATOM 0 HB3 ARG A 69 -28.711 8.688 -22.965 1.00 34.24 H new ATOM 0 HG2 ARG A 69 -30.324 6.783 -24.603 1.00 3.41 H new ATOM 0 HG3 ARG A 69 -30.930 8.424 -24.497 1.00 3.41 H new ATOM 0 HD2 ARG A 69 -28.018 8.298 -24.964 1.00 52.24 H new ATOM 0 HD3 ARG A 69 -28.948 7.523 -26.232 1.00 52.24 H new ATOM 0 HE ARG A 69 -30.015 10.145 -25.513 1.00 21.13 H new ATOM 0 HH11 ARG A 69 -27.599 8.410 -27.415 1.00 0.52 H new ATOM 0 HH12 ARG A 69 -27.438 9.705 -28.605 1.00 0.52 H new ATOM 0 HH21 ARG A 69 -29.803 11.804 -27.046 1.00 72.24 H new ATOM 0 HH22 ARG A 69 -28.681 11.619 -28.398 1.00 72.24 H new ATOM 1152 N THR A 70 -26.631 6.659 -23.271 1.00 41.41 N ATOM 1153 CA THR A 70 -25.510 6.257 -24.112 1.00 12.34 C ATOM 1154 C THR A 70 -24.543 5.361 -23.347 1.00 0.14 C ATOM 1155 O THR A 70 -23.475 5.014 -23.850 1.00 1.21 O ATOM 1156 CB THR A 70 -24.743 7.481 -24.649 1.00 34.45 C ATOM 1157 OG1 THR A 70 -24.968 8.611 -23.799 1.00 10.20 O ATOM 1158 CG2 THR A 70 -25.179 7.812 -26.068 1.00 22.11 C ATOM 0 H THR A 70 -26.412 7.395 -22.600 1.00 41.41 H new ATOM 0 HA THR A 70 -25.928 5.702 -24.952 1.00 12.34 H new ATOM 0 HB THR A 70 -23.680 7.241 -24.659 1.00 34.45 H new ATOM 0 HG1 THR A 70 -24.476 9.384 -24.146 1.00 10.20 H new ATOM 0 HG21 THR A 70 -24.624 8.679 -26.426 1.00 22.11 H new ATOM 0 HG22 THR A 70 -24.980 6.960 -26.718 1.00 22.11 H new ATOM 0 HG23 THR A 70 -26.246 8.034 -26.078 1.00 22.11 H new ATOM 1166 N GLN A 71 -24.925 4.990 -22.129 1.00 21.31 N ATOM 1167 CA GLN A 71 -24.090 4.133 -21.295 1.00 41.21 C ATOM 1168 C GLN A 71 -22.720 4.763 -21.068 1.00 44.23 C ATOM 1169 O GLN A 71 -21.690 4.115 -21.256 1.00 12.40 O ATOM 1170 CB GLN A 71 -23.930 2.756 -21.941 1.00 35.21 C ATOM 1171 CG GLN A 71 -23.696 1.637 -20.938 1.00 40.35 C ATOM 1172 CD GLN A 71 -23.615 0.273 -21.595 1.00 13.05 C ATOM 1173 OE1 GLN A 71 -24.631 -0.297 -21.995 1.00 45.13 O ATOM 1174 NE2 GLN A 71 -22.404 -0.259 -21.708 1.00 42.21 N ATOM 0 H GLN A 71 -25.806 5.269 -21.698 1.00 21.31 H new ATOM 0 HA GLN A 71 -24.582 4.018 -20.329 1.00 41.21 H new ATOM 0 HB2 GLN A 71 -24.824 2.531 -22.522 1.00 35.21 H new ATOM 0 HB3 GLN A 71 -23.094 2.787 -22.640 1.00 35.21 H new ATOM 0 HG2 GLN A 71 -22.772 1.829 -20.394 1.00 40.35 H new ATOM 0 HG3 GLN A 71 -24.503 1.636 -20.205 1.00 40.35 H new ATOM 0 HE21 GLN A 71 -21.590 0.249 -21.363 1.00 42.21 H new ATOM 0 HE22 GLN A 71 -22.288 -1.176 -22.140 1.00 42.21 H new ATOM 1183 N GLN A 72 -22.715 6.029 -20.664 1.00 54.43 N ATOM 1184 CA GLN A 72 -21.471 6.747 -20.413 1.00 61.52 C ATOM 1185 C GLN A 72 -21.247 6.941 -18.917 1.00 52.43 C ATOM 1186 O GLN A 72 -20.190 7.409 -18.494 1.00 12.31 O ATOM 1187 CB GLN A 72 -21.488 8.103 -21.119 1.00 52.44 C ATOM 1188 CG GLN A 72 -20.282 8.339 -22.013 1.00 45.43 C ATOM 1189 CD GLN A 72 -20.491 9.483 -22.986 1.00 4.31 C ATOM 1190 OE1 GLN A 72 -21.612 9.954 -23.177 1.00 33.11 O ATOM 1191 NE2 GLN A 72 -19.409 9.938 -23.607 1.00 65.32 N ATOM 0 H GLN A 72 -23.559 6.579 -20.503 1.00 54.43 H new ATOM 0 HA GLN A 72 -20.650 6.150 -20.810 1.00 61.52 H new ATOM 0 HB2 GLN A 72 -22.395 8.179 -21.719 1.00 52.44 H new ATOM 0 HB3 GLN A 72 -21.534 8.893 -20.369 1.00 52.44 H new ATOM 0 HG2 GLN A 72 -19.411 8.549 -21.393 1.00 45.43 H new ATOM 0 HG3 GLN A 72 -20.064 7.428 -22.571 1.00 45.43 H new ATOM 0 HE21 GLN A 72 -18.499 9.518 -23.419 1.00 65.32 H new ATOM 0 HE22 GLN A 72 -19.488 10.707 -24.272 1.00 65.32 H new ATOM 1200 N TRP A 73 -22.248 6.580 -18.123 1.00 10.13 N ATOM 1201 CA TRP A 73 -22.160 6.716 -16.673 1.00 72.12 C ATOM 1202 C TRP A 73 -20.972 5.935 -16.124 1.00 65.43 C ATOM 1203 O TRP A 73 -20.325 6.361 -15.168 1.00 4.40 O ATOM 1204 CB TRP A 73 -23.453 6.230 -16.016 1.00 0.45 C ATOM 1205 CG TRP A 73 -23.345 6.088 -14.527 1.00 72.25 C ATOM 1206 CD1 TRP A 73 -23.342 4.923 -13.814 1.00 15.42 C ATOM 1207 CD2 TRP A 73 -23.227 7.147 -13.571 1.00 63.05 C ATOM 1208 NE1 TRP A 73 -23.229 5.195 -12.472 1.00 14.05 N ATOM 1209 CE2 TRP A 73 -23.156 6.552 -12.297 1.00 22.42 C ATOM 1210 CE3 TRP A 73 -23.171 8.540 -13.668 1.00 74.01 C ATOM 1211 CZ2 TRP A 73 -23.034 7.302 -11.131 1.00 0.54 C ATOM 1212 CZ3 TRP A 73 -23.051 9.284 -12.510 1.00 22.33 C ATOM 1213 CH2 TRP A 73 -22.982 8.664 -11.255 1.00 13.33 C ATOM 0 H TRP A 73 -23.130 6.191 -18.458 1.00 10.13 H new ATOM 0 HA TRP A 73 -22.016 7.771 -16.440 1.00 72.12 H new ATOM 0 HB2 TRP A 73 -24.256 6.929 -16.250 1.00 0.45 H new ATOM 0 HB3 TRP A 73 -23.732 5.268 -16.446 1.00 0.45 H new ATOM 0 HD1 TRP A 73 -23.417 3.934 -14.242 1.00 15.42 H new ATOM 0 HE1 TRP A 73 -23.204 4.499 -11.727 1.00 14.05 H new ATOM 0 HE3 TRP A 73 -23.221 9.026 -14.631 1.00 74.01 H new ATOM 0 HZ2 TRP A 73 -22.982 6.826 -10.163 1.00 0.54 H new ATOM 0 HZ3 TRP A 73 -23.010 10.361 -12.573 1.00 22.33 H new ATOM 0 HH2 TRP A 73 -22.886 9.273 -10.368 1.00 13.33 H new ATOM 1224 N SER A 74 -20.689 4.788 -16.735 1.00 50.54 N ATOM 1225 CA SER A 74 -19.580 3.946 -16.305 1.00 25.21 C ATOM 1226 C SER A 74 -18.244 4.647 -16.534 1.00 11.23 C ATOM 1227 O SER A 74 -17.313 4.506 -15.741 1.00 51.53 O ATOM 1228 CB SER A 74 -19.603 2.612 -17.055 1.00 13.54 C ATOM 1229 OG SER A 74 -19.038 2.744 -18.348 1.00 14.25 O ATOM 0 H SER A 74 -21.213 4.421 -17.529 1.00 50.54 H new ATOM 0 HA SER A 74 -19.694 3.757 -15.238 1.00 25.21 H new ATOM 0 HB2 SER A 74 -19.050 1.863 -16.488 1.00 13.54 H new ATOM 0 HB3 SER A 74 -20.630 2.256 -17.138 1.00 13.54 H new ATOM 0 HG SER A 74 -19.063 1.878 -18.806 1.00 14.25 H new ATOM 1235 N MET A 75 -18.159 5.403 -17.623 1.00 50.05 N ATOM 1236 CA MET A 75 -16.938 6.128 -17.957 1.00 33.21 C ATOM 1237 C MET A 75 -16.705 7.278 -16.982 1.00 73.31 C ATOM 1238 O MET A 75 -15.605 7.445 -16.456 1.00 11.32 O ATOM 1239 CB MET A 75 -17.013 6.664 -19.388 1.00 2.02 C ATOM 1240 CG MET A 75 -15.652 6.963 -19.996 1.00 73.45 C ATOM 1241 SD MET A 75 -15.664 8.437 -21.035 1.00 33.23 S ATOM 1242 CE MET A 75 -14.518 9.487 -20.145 1.00 31.11 C ATOM 0 H MET A 75 -18.921 5.530 -18.290 1.00 50.05 H new ATOM 0 HA MET A 75 -16.101 5.435 -17.880 1.00 33.21 H new ATOM 0 HB2 MET A 75 -17.529 5.936 -20.014 1.00 2.02 H new ATOM 0 HB3 MET A 75 -17.613 7.574 -19.396 1.00 2.02 H new ATOM 0 HG2 MET A 75 -14.922 7.092 -19.197 1.00 73.45 H new ATOM 0 HG3 MET A 75 -15.327 6.108 -20.589 1.00 73.45 H new ATOM 0 HE1 MET A 75 -14.418 10.440 -20.665 1.00 31.11 H new ATOM 0 HE2 MET A 75 -14.893 9.662 -19.136 1.00 31.11 H new ATOM 0 HE3 MET A 75 -13.545 9.000 -20.091 1.00 31.11 H new ATOM 1252 N VAL A 76 -17.748 8.068 -16.746 1.00 22.01 N ATOM 1253 CA VAL A 76 -17.657 9.202 -15.834 1.00 25.33 C ATOM 1254 C VAL A 76 -17.528 8.735 -14.388 1.00 73.10 C ATOM 1255 O VAL A 76 -16.767 9.304 -13.607 1.00 25.33 O ATOM 1256 CB VAL A 76 -18.885 10.122 -15.957 1.00 74.04 C ATOM 1257 CG1 VAL A 76 -18.951 10.742 -17.345 1.00 2.02 C ATOM 1258 CG2 VAL A 76 -20.160 9.352 -15.648 1.00 14.12 C ATOM 0 H VAL A 76 -18.666 7.943 -17.174 1.00 22.01 H new ATOM 0 HA VAL A 76 -16.764 9.762 -16.113 1.00 25.33 H new ATOM 0 HB VAL A 76 -18.788 10.928 -15.229 1.00 74.04 H new ATOM 0 HG11 VAL A 76 -19.825 11.389 -17.413 1.00 2.02 H new ATOM 0 HG12 VAL A 76 -18.050 11.329 -17.524 1.00 2.02 H new ATOM 0 HG13 VAL A 76 -19.025 9.953 -18.093 1.00 2.02 H new ATOM 0 HG21 VAL A 76 -21.018 10.018 -15.740 1.00 14.12 H new ATOM 0 HG22 VAL A 76 -20.265 8.525 -16.351 1.00 14.12 H new ATOM 0 HG23 VAL A 76 -20.111 8.960 -14.632 1.00 14.12 H new ATOM 1268 N ALA A 77 -18.279 7.695 -14.039 1.00 42.00 N ATOM 1269 CA ALA A 77 -18.247 7.150 -12.688 1.00 33.43 C ATOM 1270 C ALA A 77 -16.829 6.758 -12.286 1.00 51.35 C ATOM 1271 O ALA A 77 -16.362 7.109 -11.203 1.00 55.11 O ATOM 1272 CB ALA A 77 -19.178 5.951 -12.581 1.00 21.43 C ATOM 0 H ALA A 77 -18.916 7.214 -14.673 1.00 42.00 H new ATOM 0 HA ALA A 77 -18.589 7.925 -12.002 1.00 33.43 H new ATOM 0 HB1 ALA A 77 -19.144 5.554 -11.567 1.00 21.43 H new ATOM 0 HB2 ALA A 77 -20.197 6.259 -12.816 1.00 21.43 H new ATOM 0 HB3 ALA A 77 -18.861 5.180 -13.283 1.00 21.43 H new ATOM 1278 N GLN A 78 -16.150 6.030 -13.166 1.00 61.33 N ATOM 1279 CA GLN A 78 -14.785 5.590 -12.902 1.00 10.02 C ATOM 1280 C GLN A 78 -13.846 6.784 -12.761 1.00 33.31 C ATOM 1281 O GLN A 78 -12.883 6.741 -11.995 1.00 40.14 O ATOM 1282 CB GLN A 78 -14.296 4.671 -14.023 1.00 13.31 C ATOM 1283 CG GLN A 78 -12.821 4.320 -13.922 1.00 43.42 C ATOM 1284 CD GLN A 78 -11.985 4.998 -14.991 1.00 35.13 C ATOM 1285 OE1 GLN A 78 -12.314 4.947 -16.176 1.00 43.44 O ATOM 1286 NE2 GLN A 78 -10.898 5.637 -14.576 1.00 12.44 N ATOM 0 H GLN A 78 -16.522 5.732 -14.068 1.00 61.33 H new ATOM 0 HA GLN A 78 -14.784 5.037 -11.963 1.00 10.02 H new ATOM 0 HB2 GLN A 78 -14.881 3.752 -14.009 1.00 13.31 H new ATOM 0 HB3 GLN A 78 -14.481 5.153 -14.983 1.00 13.31 H new ATOM 0 HG2 GLN A 78 -12.449 4.608 -12.939 1.00 43.42 H new ATOM 0 HG3 GLN A 78 -12.702 3.240 -14.004 1.00 43.42 H new ATOM 0 HE21 GLN A 78 -10.664 5.653 -13.583 1.00 12.44 H new ATOM 0 HE22 GLN A 78 -10.297 6.112 -15.250 1.00 12.44 H new ATOM 1295 N ARG A 79 -14.134 7.847 -13.504 1.00 45.14 N ATOM 1296 CA ARG A 79 -13.314 9.052 -13.463 1.00 42.03 C ATOM 1297 C ARG A 79 -13.257 9.623 -12.050 1.00 13.25 C ATOM 1298 O ARG A 79 -12.196 10.031 -11.575 1.00 53.10 O ATOM 1299 CB ARG A 79 -13.866 10.103 -14.428 1.00 1.31 C ATOM 1300 CG ARG A 79 -12.841 11.145 -14.845 1.00 42.02 C ATOM 1301 CD ARG A 79 -12.395 10.942 -16.285 1.00 0.41 C ATOM 1302 NE ARG A 79 -11.761 12.138 -16.835 1.00 33.40 N ATOM 1303 CZ ARG A 79 -12.435 13.214 -17.223 1.00 54.42 C ATOM 1304 NH1 ARG A 79 -13.757 13.245 -17.122 1.00 10.43 N ATOM 1305 NH2 ARG A 79 -11.787 14.263 -17.714 1.00 14.22 N ATOM 0 H ARG A 79 -14.929 7.899 -14.141 1.00 45.14 H new ATOM 0 HA ARG A 79 -12.303 8.784 -13.769 1.00 42.03 H new ATOM 0 HB2 ARG A 79 -14.246 9.602 -15.319 1.00 1.31 H new ATOM 0 HB3 ARG A 79 -14.712 10.605 -13.959 1.00 1.31 H new ATOM 0 HG2 ARG A 79 -13.267 12.142 -14.732 1.00 42.02 H new ATOM 0 HG3 ARG A 79 -11.976 11.091 -14.184 1.00 42.02 H new ATOM 0 HD2 ARG A 79 -11.697 10.106 -16.334 1.00 0.41 H new ATOM 0 HD3 ARG A 79 -13.256 10.674 -16.897 1.00 0.41 H new ATOM 0 HE ARG A 79 -10.745 12.147 -16.926 1.00 33.40 H new ATOM 0 HH11 ARG A 79 -14.259 12.441 -16.745 1.00 10.43 H new ATOM 0 HH12 ARG A 79 -14.272 14.073 -17.421 1.00 10.43 H new ATOM 0 HH21 ARG A 79 -10.770 14.243 -17.794 1.00 14.22 H new ATOM 0 HH22 ARG A 79 -12.306 15.089 -18.012 1.00 14.22 H new ATOM 1319 N LEU A 80 -14.405 9.650 -11.382 1.00 13.13 N ATOM 1320 CA LEU A 80 -14.487 10.172 -10.022 1.00 34.32 C ATOM 1321 C LEU A 80 -14.427 9.041 -9.000 1.00 72.31 C ATOM 1322 O LEU A 80 -14.452 9.281 -7.793 1.00 75.54 O ATOM 1323 CB LEU A 80 -15.778 10.972 -9.838 1.00 72.25 C ATOM 1324 CG LEU A 80 -17.042 10.154 -9.570 1.00 52.32 C ATOM 1325 CD1 LEU A 80 -17.533 10.381 -8.149 1.00 22.24 C ATOM 1326 CD2 LEU A 80 -18.129 10.508 -10.574 1.00 55.33 C ATOM 0 H LEU A 80 -15.292 9.317 -11.760 1.00 13.13 H new ATOM 0 HA LEU A 80 -13.633 10.830 -9.860 1.00 34.32 H new ATOM 0 HB2 LEU A 80 -15.636 11.667 -9.010 1.00 72.25 H new ATOM 0 HB3 LEU A 80 -15.941 11.572 -10.733 1.00 72.25 H new ATOM 0 HG LEU A 80 -16.799 9.098 -9.685 1.00 52.32 H new ATOM 0 HD11 LEU A 80 -18.433 9.791 -7.976 1.00 22.24 H new ATOM 0 HD12 LEU A 80 -16.759 10.077 -7.444 1.00 22.24 H new ATOM 0 HD13 LEU A 80 -17.759 11.438 -8.007 1.00 22.24 H new ATOM 0 HD21 LEU A 80 -19.021 9.916 -10.368 1.00 55.33 H new ATOM 0 HD22 LEU A 80 -18.369 11.568 -10.491 1.00 55.33 H new ATOM 0 HD23 LEU A 80 -17.776 10.294 -11.583 1.00 55.33 H new ATOM 1338 N GLN A 81 -14.346 7.809 -9.493 1.00 24.03 N ATOM 1339 CA GLN A 81 -14.280 6.641 -8.622 1.00 11.31 C ATOM 1340 C GLN A 81 -15.574 6.479 -7.831 1.00 60.21 C ATOM 1341 O GLN A 81 -15.551 6.324 -6.610 1.00 22.03 O ATOM 1342 CB GLN A 81 -13.094 6.760 -7.663 1.00 60.32 C ATOM 1343 CG GLN A 81 -12.701 5.442 -7.016 1.00 20.41 C ATOM 1344 CD GLN A 81 -11.587 5.600 -5.999 1.00 75.24 C ATOM 1345 OE1 GLN A 81 -11.756 6.262 -4.975 1.00 43.42 O ATOM 1346 NE2 GLN A 81 -10.441 4.990 -6.277 1.00 41.32 N ATOM 0 H GLN A 81 -14.325 7.594 -10.490 1.00 24.03 H new ATOM 0 HA GLN A 81 -14.145 5.759 -9.248 1.00 11.31 H new ATOM 0 HB2 GLN A 81 -12.237 7.159 -8.206 1.00 60.32 H new ATOM 0 HB3 GLN A 81 -13.340 7.480 -6.882 1.00 60.32 H new ATOM 0 HG2 GLN A 81 -13.573 5.006 -6.529 1.00 20.41 H new ATOM 0 HG3 GLN A 81 -12.385 4.742 -7.789 1.00 20.41 H new ATOM 0 HE21 GLN A 81 -10.346 4.452 -7.138 1.00 41.32 H new ATOM 0 HE22 GLN A 81 -9.656 5.060 -5.629 1.00 41.32 H new ATOM 1355 N ILE A 82 -16.700 6.515 -8.535 1.00 13.40 N ATOM 1356 CA ILE A 82 -18.004 6.371 -7.898 1.00 45.42 C ATOM 1357 C ILE A 82 -18.577 4.977 -8.128 1.00 43.13 C ATOM 1358 O ILE A 82 -19.372 4.482 -7.330 1.00 11.22 O ATOM 1359 CB ILE A 82 -19.005 7.418 -8.421 1.00 45.44 C ATOM 1360 CG1 ILE A 82 -19.665 8.153 -7.253 1.00 2.11 C ATOM 1361 CG2 ILE A 82 -20.055 6.755 -9.298 1.00 75.55 C ATOM 1362 CD1 ILE A 82 -20.463 7.246 -6.343 1.00 13.43 C ATOM 0 H ILE A 82 -16.736 6.643 -9.546 1.00 13.40 H new ATOM 0 HA ILE A 82 -17.852 6.527 -6.830 1.00 45.42 H new ATOM 0 HB ILE A 82 -18.464 8.147 -9.024 1.00 45.44 H new ATOM 0 HG12 ILE A 82 -18.894 8.655 -6.668 1.00 2.11 H new ATOM 0 HG13 ILE A 82 -20.322 8.929 -7.647 1.00 2.11 H new ATOM 0 HG21 ILE A 82 -20.755 7.508 -9.660 1.00 75.55 H new ATOM 0 HG22 ILE A 82 -19.569 6.274 -10.147 1.00 75.55 H new ATOM 0 HG23 ILE A 82 -20.595 6.007 -8.717 1.00 75.55 H new ATOM 0 HD11 ILE A 82 -20.903 7.834 -5.537 1.00 13.43 H new ATOM 0 HD12 ILE A 82 -21.256 6.764 -6.914 1.00 13.43 H new ATOM 0 HD13 ILE A 82 -19.806 6.486 -5.920 1.00 13.43 H new ATOM 1374 N SER A 83 -18.166 4.348 -9.225 1.00 23.24 N ATOM 1375 CA SER A 83 -18.640 3.011 -9.561 1.00 64.54 C ATOM 1376 C SER A 83 -17.597 2.255 -10.380 1.00 32.11 C ATOM 1377 O SER A 83 -17.746 2.084 -11.590 1.00 53.50 O ATOM 1378 CB SER A 83 -19.954 3.093 -10.340 1.00 41.41 C ATOM 1379 OG SER A 83 -20.651 1.860 -10.297 1.00 10.44 O ATOM 0 H SER A 83 -17.506 4.743 -9.895 1.00 23.24 H new ATOM 0 HA SER A 83 -18.810 2.469 -8.631 1.00 64.54 H new ATOM 0 HB2 SER A 83 -20.579 3.882 -9.922 1.00 41.41 H new ATOM 0 HB3 SER A 83 -19.750 3.363 -11.376 1.00 41.41 H new ATOM 0 HG SER A 83 -21.488 1.939 -10.801 1.00 10.44 H new ATOM 1385 N ASP A 84 -16.542 1.804 -9.711 1.00 1.34 N ATOM 1386 CA ASP A 84 -15.474 1.066 -10.374 1.00 61.42 C ATOM 1387 C ASP A 84 -15.730 -0.437 -10.309 1.00 15.21 C ATOM 1388 O ASP A 84 -14.915 -1.194 -9.781 1.00 53.40 O ATOM 1389 CB ASP A 84 -14.124 1.393 -9.734 1.00 51.30 C ATOM 1390 CG ASP A 84 -13.479 2.623 -10.342 1.00 4.35 C ATOM 1391 OD1 ASP A 84 -14.076 3.715 -10.245 1.00 53.32 O ATOM 1392 OD2 ASP A 84 -12.376 2.494 -10.914 1.00 71.30 O ATOM 0 H ASP A 84 -16.404 1.937 -8.709 1.00 1.34 H new ATOM 0 HA ASP A 84 -15.454 1.369 -11.421 1.00 61.42 H new ATOM 0 HB2 ASP A 84 -14.261 1.549 -8.664 1.00 51.30 H new ATOM 0 HB3 ASP A 84 -13.454 0.541 -9.849 1.00 51.30 H new ATOM 1397 N TYR A 85 -16.868 -0.861 -10.848 1.00 30.34 N ATOM 1398 CA TYR A 85 -17.234 -2.273 -10.847 1.00 41.34 C ATOM 1399 C TYR A 85 -17.560 -2.751 -9.436 1.00 2.12 C ATOM 1400 O TYR A 85 -18.209 -2.045 -8.665 1.00 13.01 O ATOM 1401 CB TYR A 85 -16.100 -3.115 -11.434 1.00 61.11 C ATOM 1402 CG TYR A 85 -15.459 -2.500 -12.658 1.00 1.25 C ATOM 1403 CD1 TYR A 85 -16.218 -2.181 -13.777 1.00 43.31 C ATOM 1404 CD2 TYR A 85 -14.095 -2.238 -12.695 1.00 20.35 C ATOM 1405 CE1 TYR A 85 -15.636 -1.619 -14.897 1.00 75.15 C ATOM 1406 CE2 TYR A 85 -13.506 -1.676 -13.810 1.00 5.51 C ATOM 1407 CZ TYR A 85 -14.280 -1.368 -14.909 1.00 13.12 C ATOM 1408 OH TYR A 85 -13.697 -0.809 -16.022 1.00 44.54 O ATOM 0 H TYR A 85 -17.552 -0.248 -11.291 1.00 30.34 H new ATOM 0 HA TYR A 85 -18.124 -2.392 -11.465 1.00 41.34 H new ATOM 0 HB2 TYR A 85 -15.336 -3.264 -10.670 1.00 61.11 H new ATOM 0 HB3 TYR A 85 -16.487 -4.100 -11.693 1.00 61.11 H new ATOM 0 HD1 TYR A 85 -17.280 -2.375 -13.771 1.00 43.31 H new ATOM 0 HD2 TYR A 85 -13.485 -2.478 -11.837 1.00 20.35 H new ATOM 0 HE1 TYR A 85 -16.240 -1.377 -15.759 1.00 75.15 H new ATOM 0 HE2 TYR A 85 -12.444 -1.479 -13.822 1.00 5.51 H new ATOM 0 HH TYR A 85 -12.736 -0.697 -15.866 1.00 44.54 H new ATOM 1418 N GLN A 86 -17.103 -3.955 -9.106 1.00 0.54 N ATOM 1419 CA GLN A 86 -17.346 -4.528 -7.787 1.00 44.21 C ATOM 1420 C GLN A 86 -16.942 -3.552 -6.687 1.00 31.24 C ATOM 1421 O GLN A 86 -17.560 -3.512 -5.623 1.00 74.13 O ATOM 1422 CB GLN A 86 -16.576 -5.840 -7.629 1.00 20.31 C ATOM 1423 CG GLN A 86 -15.066 -5.662 -7.612 1.00 34.00 C ATOM 1424 CD GLN A 86 -14.328 -6.963 -7.369 1.00 63.41 C ATOM 1425 OE1 GLN A 86 -14.718 -7.763 -6.518 1.00 14.10 O ATOM 1426 NE2 GLN A 86 -13.253 -7.183 -8.118 1.00 33.31 N ATOM 0 H GLN A 86 -16.563 -4.552 -9.733 1.00 0.54 H new ATOM 0 HA GLN A 86 -18.414 -4.728 -7.696 1.00 44.21 H new ATOM 0 HB2 GLN A 86 -16.887 -6.325 -6.703 1.00 20.31 H new ATOM 0 HB3 GLN A 86 -16.845 -6.510 -8.445 1.00 20.31 H new ATOM 0 HG2 GLN A 86 -14.743 -5.238 -8.563 1.00 34.00 H new ATOM 0 HG3 GLN A 86 -14.797 -4.946 -6.836 1.00 34.00 H new ATOM 0 HE21 GLN A 86 -12.965 -6.493 -8.812 1.00 33.31 H new ATOM 0 HE22 GLN A 86 -12.716 -8.042 -7.999 1.00 33.31 H new ATOM 1435 N GLN A 87 -15.902 -2.768 -6.950 1.00 24.21 N ATOM 1436 CA GLN A 87 -15.416 -1.794 -5.980 1.00 45.54 C ATOM 1437 C GLN A 87 -16.517 -0.810 -5.598 1.00 43.14 C ATOM 1438 O GLN A 87 -16.493 -0.225 -4.515 1.00 22.25 O ATOM 1439 CB GLN A 87 -14.213 -1.036 -6.546 1.00 62.41 C ATOM 1440 CG GLN A 87 -13.110 -0.798 -5.527 1.00 52.42 C ATOM 1441 CD GLN A 87 -11.862 -0.202 -6.147 1.00 43.52 C ATOM 1442 OE1 GLN A 87 -10.945 -0.923 -6.540 1.00 63.14 O ATOM 1443 NE2 GLN A 87 -11.820 1.123 -6.238 1.00 61.41 N ATOM 0 H GLN A 87 -15.380 -2.788 -7.826 1.00 24.21 H new ATOM 0 HA GLN A 87 -15.109 -2.333 -5.084 1.00 45.54 H new ATOM 0 HB2 GLN A 87 -13.804 -1.596 -7.387 1.00 62.41 H new ATOM 0 HB3 GLN A 87 -14.550 -0.075 -6.936 1.00 62.41 H new ATOM 0 HG2 GLN A 87 -13.478 -0.131 -4.748 1.00 52.42 H new ATOM 0 HG3 GLN A 87 -12.856 -1.742 -5.045 1.00 52.42 H new ATOM 0 HE21 GLN A 87 -12.603 1.683 -5.900 1.00 61.41 H new ATOM 0 HE22 GLN A 87 -11.005 1.581 -6.646 1.00 61.41 H new ATOM 1452 N LEU A 88 -17.481 -0.631 -6.495 1.00 24.51 N ATOM 1453 CA LEU A 88 -18.592 0.282 -6.252 1.00 43.21 C ATOM 1454 C LEU A 88 -19.281 -0.038 -4.929 1.00 41.15 C ATOM 1455 O LEU A 88 -19.867 0.839 -4.297 1.00 15.33 O ATOM 1456 CB LEU A 88 -19.602 0.204 -7.398 1.00 45.54 C ATOM 1457 CG LEU A 88 -20.643 -0.911 -7.301 1.00 13.43 C ATOM 1458 CD1 LEU A 88 -21.875 -0.426 -6.551 1.00 61.33 C ATOM 1459 CD2 LEU A 88 -21.022 -1.409 -8.688 1.00 34.35 C ATOM 0 H LEU A 88 -17.515 -1.106 -7.397 1.00 24.51 H new ATOM 0 HA LEU A 88 -18.192 1.295 -6.196 1.00 43.21 H new ATOM 0 HB2 LEU A 88 -20.126 1.158 -7.460 1.00 45.54 H new ATOM 0 HB3 LEU A 88 -19.053 0.081 -8.332 1.00 45.54 H new ATOM 0 HG LEU A 88 -20.208 -1.742 -6.745 1.00 13.43 H new ATOM 0 HD11 LEU A 88 -22.606 -1.233 -6.491 1.00 61.33 H new ATOM 0 HD12 LEU A 88 -21.591 -0.119 -5.545 1.00 61.33 H new ATOM 0 HD13 LEU A 88 -22.312 0.421 -7.079 1.00 61.33 H new ATOM 0 HD21 LEU A 88 -21.764 -2.203 -8.599 1.00 34.35 H new ATOM 0 HD22 LEU A 88 -21.438 -0.586 -9.269 1.00 34.35 H new ATOM 0 HD23 LEU A 88 -20.135 -1.796 -9.191 1.00 34.35 H new ATOM 1471 N GLU A 89 -19.203 -1.300 -4.518 1.00 13.53 N ATOM 1472 CA GLU A 89 -19.819 -1.734 -3.269 1.00 61.13 C ATOM 1473 C GLU A 89 -19.112 -1.112 -2.069 1.00 24.34 C ATOM 1474 O GLU A 89 -19.755 -0.604 -1.150 1.00 61.14 O ATOM 1475 CB GLU A 89 -19.784 -3.260 -3.162 1.00 21.03 C ATOM 1476 CG GLU A 89 -21.142 -3.882 -2.880 1.00 45.42 C ATOM 1477 CD GLU A 89 -21.072 -5.388 -2.720 1.00 43.14 C ATOM 1478 OE1 GLU A 89 -21.194 -6.098 -3.740 1.00 72.34 O ATOM 1479 OE2 GLU A 89 -20.895 -5.856 -1.577 1.00 21.24 O ATOM 0 H GLU A 89 -18.721 -2.038 -5.030 1.00 13.53 H new ATOM 0 HA GLU A 89 -20.857 -1.401 -3.269 1.00 61.13 H new ATOM 0 HB2 GLU A 89 -19.391 -3.672 -4.091 1.00 21.03 H new ATOM 0 HB3 GLU A 89 -19.092 -3.544 -2.369 1.00 21.03 H new ATOM 0 HG2 GLU A 89 -21.557 -3.443 -1.973 1.00 45.42 H new ATOM 0 HG3 GLU A 89 -21.825 -3.638 -3.694 1.00 45.42 H new ATOM 1486 N SER A 90 -17.783 -1.157 -2.083 1.00 72.32 N ATOM 1487 CA SER A 90 -16.988 -0.603 -0.994 1.00 44.22 C ATOM 1488 C SER A 90 -17.126 0.916 -0.938 1.00 74.45 C ATOM 1489 O SER A 90 -17.236 1.500 0.140 1.00 55.44 O ATOM 1490 CB SER A 90 -15.516 -0.986 -1.163 1.00 51.21 C ATOM 1491 OG SER A 90 -14.668 0.117 -0.894 1.00 22.14 O ATOM 0 H SER A 90 -17.235 -1.572 -2.837 1.00 72.32 H new ATOM 0 HA SER A 90 -17.360 -1.019 -0.058 1.00 44.22 H new ATOM 0 HB2 SER A 90 -15.272 -1.809 -0.491 1.00 51.21 H new ATOM 0 HB3 SER A 90 -15.344 -1.342 -2.179 1.00 51.21 H new ATOM 0 HG SER A 90 -13.733 -0.154 -1.007 1.00 22.14 H new ATOM 1497 N ILE A 91 -17.120 1.547 -2.107 1.00 52.15 N ATOM 1498 CA ILE A 91 -17.246 2.997 -2.193 1.00 35.33 C ATOM 1499 C ILE A 91 -18.621 3.458 -1.719 1.00 24.31 C ATOM 1500 O ILE A 91 -18.742 4.458 -1.011 1.00 65.02 O ATOM 1501 CB ILE A 91 -17.017 3.498 -3.631 1.00 2.34 C ATOM 1502 CG1 ILE A 91 -15.629 3.083 -4.123 1.00 72.45 C ATOM 1503 CG2 ILE A 91 -17.177 5.010 -3.696 1.00 74.33 C ATOM 1504 CD1 ILE A 91 -15.628 2.532 -5.532 1.00 53.25 C ATOM 0 H ILE A 91 -17.029 1.077 -3.008 1.00 52.15 H new ATOM 0 HA ILE A 91 -16.479 3.419 -1.544 1.00 35.33 H new ATOM 0 HB ILE A 91 -17.764 3.044 -4.282 1.00 2.34 H new ATOM 0 HG12 ILE A 91 -14.964 3.945 -4.078 1.00 72.45 H new ATOM 0 HG13 ILE A 91 -15.222 2.331 -3.447 1.00 72.45 H new ATOM 0 HG21 ILE A 91 -17.012 5.350 -4.719 1.00 74.33 H new ATOM 0 HG22 ILE A 91 -18.184 5.283 -3.381 1.00 74.33 H new ATOM 0 HG23 ILE A 91 -16.449 5.482 -3.035 1.00 74.33 H new ATOM 0 HD11 ILE A 91 -14.612 2.258 -5.815 1.00 53.25 H new ATOM 0 HD12 ILE A 91 -16.267 1.650 -5.578 1.00 53.25 H new ATOM 0 HD13 ILE A 91 -16.004 3.290 -6.219 1.00 53.25 H new ATOM 1516 N TYR A 92 -19.654 2.721 -2.112 1.00 64.11 N ATOM 1517 CA TYR A 92 -21.020 3.054 -1.728 1.00 52.13 C ATOM 1518 C TYR A 92 -21.226 2.867 -0.228 1.00 44.41 C ATOM 1519 O TYR A 92 -21.912 3.658 0.420 1.00 50.04 O ATOM 1520 CB TYR A 92 -22.015 2.188 -2.502 1.00 72.23 C ATOM 1521 CG TYR A 92 -22.534 2.841 -3.763 1.00 51.23 C ATOM 1522 CD1 TYR A 92 -21.680 3.535 -4.612 1.00 14.02 C ATOM 1523 CD2 TYR A 92 -23.878 2.764 -4.107 1.00 33.35 C ATOM 1524 CE1 TYR A 92 -22.150 4.134 -5.764 1.00 54.14 C ATOM 1525 CE2 TYR A 92 -24.357 3.359 -5.258 1.00 20.51 C ATOM 1526 CZ TYR A 92 -23.489 4.043 -6.083 1.00 73.12 C ATOM 1527 OH TYR A 92 -23.961 4.637 -7.231 1.00 52.22 O ATOM 0 H TYR A 92 -19.571 1.889 -2.696 1.00 64.11 H new ATOM 0 HA TYR A 92 -21.193 4.102 -1.972 1.00 52.13 H new ATOM 0 HB2 TYR A 92 -21.536 1.244 -2.762 1.00 72.23 H new ATOM 0 HB3 TYR A 92 -22.858 1.950 -1.853 1.00 72.23 H new ATOM 0 HD1 TYR A 92 -20.631 3.607 -4.366 1.00 14.02 H new ATOM 0 HD2 TYR A 92 -24.560 2.229 -3.463 1.00 33.35 H new ATOM 0 HE1 TYR A 92 -21.473 4.671 -6.412 1.00 54.14 H new ATOM 0 HE2 TYR A 92 -25.405 3.289 -5.510 1.00 20.51 H new ATOM 0 HH TYR A 92 -24.925 4.478 -7.309 1.00 52.22 H new ATOM 1537 N PHE A 93 -20.625 1.815 0.318 1.00 3.52 N ATOM 1538 CA PHE A 93 -20.741 1.523 1.742 1.00 22.11 C ATOM 1539 C PHE A 93 -20.067 2.608 2.577 1.00 31.10 C ATOM 1540 O PHE A 93 -20.661 3.146 3.512 1.00 73.35 O ATOM 1541 CB PHE A 93 -20.118 0.161 2.057 1.00 54.11 C ATOM 1542 CG PHE A 93 -20.723 -0.511 3.256 1.00 21.52 C ATOM 1543 CD1 PHE A 93 -20.710 0.109 4.495 1.00 53.42 C ATOM 1544 CD2 PHE A 93 -21.304 -1.764 3.145 1.00 72.21 C ATOM 1545 CE1 PHE A 93 -21.265 -0.508 5.600 1.00 11.30 C ATOM 1546 CE2 PHE A 93 -21.861 -2.386 4.247 1.00 71.14 C ATOM 1547 CZ PHE A 93 -21.842 -1.756 5.476 1.00 73.45 C ATOM 0 H PHE A 93 -20.053 1.151 -0.204 1.00 3.52 H new ATOM 0 HA PHE A 93 -21.800 1.499 1.997 1.00 22.11 H new ATOM 0 HB2 PHE A 93 -20.230 -0.490 1.190 1.00 54.11 H new ATOM 0 HB3 PHE A 93 -19.048 0.289 2.223 1.00 54.11 H new ATOM 0 HD1 PHE A 93 -20.261 1.086 4.598 1.00 53.42 H new ATOM 0 HD2 PHE A 93 -21.322 -2.261 2.186 1.00 72.21 H new ATOM 0 HE1 PHE A 93 -21.247 -0.014 6.560 1.00 11.30 H new ATOM 0 HE2 PHE A 93 -22.310 -3.363 4.147 1.00 71.14 H new ATOM 0 HZ PHE A 93 -22.278 -2.239 6.338 1.00 73.45 H new ATOM 1557 N ARG A 94 -18.823 2.924 2.233 1.00 62.30 N ATOM 1558 CA ARG A 94 -18.067 3.943 2.951 1.00 22.31 C ATOM 1559 C ARG A 94 -18.722 5.312 2.801 1.00 12.50 C ATOM 1560 O ARG A 94 -18.720 6.118 3.732 1.00 24.14 O ATOM 1561 CB ARG A 94 -16.627 3.996 2.438 1.00 25.42 C ATOM 1562 CG ARG A 94 -15.677 3.081 3.194 1.00 3.25 C ATOM 1563 CD ARG A 94 -15.241 1.901 2.340 1.00 35.23 C ATOM 1564 NE ARG A 94 -16.024 0.701 2.625 1.00 10.10 N ATOM 1565 CZ ARG A 94 -15.613 -0.529 2.340 1.00 62.42 C ATOM 1566 NH1 ARG A 94 -14.433 -0.721 1.765 1.00 34.35 N ATOM 1567 NH2 ARG A 94 -16.382 -1.571 2.630 1.00 61.12 N ATOM 0 H ARG A 94 -18.317 2.489 1.461 1.00 62.30 H new ATOM 0 HA ARG A 94 -18.059 3.677 4.008 1.00 22.31 H new ATOM 0 HB2 ARG A 94 -16.616 3.725 1.382 1.00 25.42 H new ATOM 0 HB3 ARG A 94 -16.263 5.021 2.507 1.00 25.42 H new ATOM 0 HG2 ARG A 94 -14.800 3.646 3.510 1.00 3.25 H new ATOM 0 HG3 ARG A 94 -16.164 2.716 4.098 1.00 3.25 H new ATOM 0 HD2 ARG A 94 -15.343 2.159 1.286 1.00 35.23 H new ATOM 0 HD3 ARG A 94 -14.185 1.696 2.517 1.00 35.23 H new ATOM 0 HE ARG A 94 -16.936 0.814 3.067 1.00 10.10 H new ATOM 0 HH11 ARG A 94 -13.839 0.077 1.541 1.00 34.35 H new ATOM 0 HH12 ARG A 94 -14.120 -1.667 1.547 1.00 34.35 H new ATOM 0 HH21 ARG A 94 -17.290 -1.427 3.072 1.00 61.12 H new ATOM 0 HH22 ARG A 94 -16.065 -2.515 2.411 1.00 61.12 H new ATOM 1581 N ILE A 95 -19.282 5.569 1.623 1.00 4.15 N ATOM 1582 CA ILE A 95 -19.941 6.841 1.352 1.00 23.43 C ATOM 1583 C ILE A 95 -21.313 6.900 2.014 1.00 55.33 C ATOM 1584 O ILE A 95 -21.821 7.980 2.320 1.00 40.12 O ATOM 1585 CB ILE A 95 -20.101 7.080 -0.161 1.00 14.04 C ATOM 1586 CG1 ILE A 95 -18.741 7.362 -0.802 1.00 30.13 C ATOM 1587 CG2 ILE A 95 -21.062 8.232 -0.415 1.00 71.24 C ATOM 1588 CD1 ILE A 95 -18.783 7.404 -2.313 1.00 44.42 C ATOM 0 H ILE A 95 -19.292 4.913 0.842 1.00 4.15 H new ATOM 0 HA ILE A 95 -19.306 7.622 1.769 1.00 23.43 H new ATOM 0 HB ILE A 95 -20.515 6.180 -0.615 1.00 14.04 H new ATOM 0 HG12 ILE A 95 -18.364 8.315 -0.430 1.00 30.13 H new ATOM 0 HG13 ILE A 95 -18.034 6.595 -0.487 1.00 30.13 H new ATOM 0 HG21 ILE A 95 -21.165 8.390 -1.489 1.00 71.24 H new ATOM 0 HG22 ILE A 95 -22.036 7.994 0.012 1.00 71.24 H new ATOM 0 HG23 ILE A 95 -20.674 9.139 0.049 1.00 71.24 H new ATOM 0 HD11 ILE A 95 -17.784 7.608 -2.699 1.00 44.42 H new ATOM 0 HD12 ILE A 95 -19.130 6.444 -2.694 1.00 44.42 H new ATOM 0 HD13 ILE A 95 -19.465 8.190 -2.636 1.00 44.42 H new ATOM 1600 N LEU A 96 -21.909 5.733 2.233 1.00 13.53 N ATOM 1601 CA LEU A 96 -23.224 5.652 2.861 1.00 63.21 C ATOM 1602 C LEU A 96 -23.097 5.540 4.377 1.00 72.42 C ATOM 1603 O LEU A 96 -24.088 5.639 5.102 1.00 3.43 O ATOM 1604 CB LEU A 96 -23.999 4.453 2.312 1.00 20.43 C ATOM 1605 CG LEU A 96 -24.642 4.641 0.938 1.00 63.23 C ATOM 1606 CD1 LEU A 96 -24.878 3.295 0.270 1.00 43.00 C ATOM 1607 CD2 LEU A 96 -25.947 5.414 1.060 1.00 22.44 C ATOM 0 H LEU A 96 -21.503 4.830 1.985 1.00 13.53 H new ATOM 0 HA LEU A 96 -23.769 6.567 2.628 1.00 63.21 H new ATOM 0 HB2 LEU A 96 -23.321 3.601 2.260 1.00 20.43 H new ATOM 0 HB3 LEU A 96 -24.782 4.195 3.025 1.00 20.43 H new ATOM 0 HG LEU A 96 -23.959 5.218 0.315 1.00 63.23 H new ATOM 0 HD11 LEU A 96 -25.336 3.449 -0.707 1.00 43.00 H new ATOM 0 HD12 LEU A 96 -23.926 2.778 0.147 1.00 43.00 H new ATOM 0 HD13 LEU A 96 -25.541 2.692 0.891 1.00 43.00 H new ATOM 0 HD21 LEU A 96 -26.390 5.538 0.072 1.00 22.44 H new ATOM 0 HD22 LEU A 96 -26.637 4.865 1.701 1.00 22.44 H new ATOM 0 HD23 LEU A 96 -25.750 6.394 1.495 1.00 22.44 H new ATOM 1619 N LEU A 97 -21.873 5.334 4.849 1.00 21.24 N ATOM 1620 CA LEU A 97 -21.616 5.211 6.280 1.00 23.51 C ATOM 1621 C LEU A 97 -22.369 6.281 7.063 1.00 0.10 C ATOM 1622 O LEU A 97 -22.766 7.315 6.525 1.00 74.54 O ATOM 1623 CB LEU A 97 -20.116 5.319 6.560 1.00 63.42 C ATOM 1624 CG LEU A 97 -19.307 4.032 6.389 1.00 43.32 C ATOM 1625 CD1 LEU A 97 -17.819 4.314 6.532 1.00 51.43 C ATOM 1626 CD2 LEU A 97 -19.752 2.984 7.398 1.00 0.11 C ATOM 0 H LEU A 97 -21.043 5.249 4.262 1.00 21.24 H new ATOM 0 HA LEU A 97 -21.971 4.233 6.605 1.00 23.51 H new ATOM 0 HB2 LEU A 97 -19.697 6.078 5.900 1.00 63.42 H new ATOM 0 HB3 LEU A 97 -19.982 5.676 7.581 1.00 63.42 H new ATOM 0 HG LEU A 97 -19.488 3.643 5.387 1.00 43.32 H new ATOM 0 HD11 LEU A 97 -17.259 3.387 6.407 1.00 51.43 H new ATOM 0 HD12 LEU A 97 -17.510 5.030 5.771 1.00 51.43 H new ATOM 0 HD13 LEU A 97 -17.620 4.728 7.521 1.00 51.43 H new ATOM 0 HD21 LEU A 97 -19.166 2.075 7.261 1.00 0.11 H new ATOM 0 HD22 LEU A 97 -19.602 3.365 8.408 1.00 0.11 H new ATOM 0 HD23 LEU A 97 -20.808 2.760 7.248 1.00 0.11 H new ATOM 1638 N PRO A 98 -22.569 6.031 8.366 1.00 40.34 N ATOM 1639 CA PRO A 98 -23.273 6.963 9.251 1.00 11.23 C ATOM 1640 C PRO A 98 -22.468 8.230 9.518 1.00 41.44 C ATOM 1641 O PRO A 98 -23.022 9.328 9.577 1.00 2.44 O ATOM 1642 CB PRO A 98 -23.449 6.161 10.543 1.00 74.53 C ATOM 1643 CG PRO A 98 -22.345 5.161 10.522 1.00 44.44 C ATOM 1644 CD PRO A 98 -22.123 4.820 9.074 1.00 23.01 C ATOM 0 HA PRO A 98 -24.211 7.308 8.815 1.00 11.23 H new ATOM 0 HB2 PRO A 98 -23.383 6.805 11.420 1.00 74.53 H new ATOM 0 HB3 PRO A 98 -24.424 5.674 10.577 1.00 74.53 H new ATOM 0 HG2 PRO A 98 -21.439 5.570 10.970 1.00 44.44 H new ATOM 0 HG3 PRO A 98 -22.611 4.273 11.096 1.00 44.44 H new ATOM 0 HD2 PRO A 98 -21.076 4.598 8.870 1.00 23.01 H new ATOM 0 HD3 PRO A 98 -22.699 3.944 8.775 1.00 23.01 H new ATOM 1652 N TYR A 99 -21.159 8.071 9.676 1.00 3.41 N ATOM 1653 CA TYR A 99 -20.277 9.203 9.938 1.00 54.10 C ATOM 1654 C TYR A 99 -20.169 10.104 8.712 1.00 42.14 C ATOM 1655 O TYR A 99 -20.225 11.328 8.821 1.00 3.43 O ATOM 1656 CB TYR A 99 -18.888 8.711 10.347 1.00 33.45 C ATOM 1657 CG TYR A 99 -18.909 7.720 11.490 1.00 54.32 C ATOM 1658 CD1 TYR A 99 -19.421 8.073 12.732 1.00 11.43 C ATOM 1659 CD2 TYR A 99 -18.418 6.431 11.326 1.00 34.31 C ATOM 1660 CE1 TYR A 99 -19.441 7.172 13.779 1.00 75.02 C ATOM 1661 CE2 TYR A 99 -18.436 5.522 12.367 1.00 51.24 C ATOM 1662 CZ TYR A 99 -18.948 5.898 13.591 1.00 32.41 C ATOM 1663 OH TYR A 99 -18.968 4.996 14.631 1.00 51.33 O ATOM 0 H TYR A 99 -20.685 7.169 9.627 1.00 3.41 H new ATOM 0 HA TYR A 99 -20.705 9.782 10.756 1.00 54.10 H new ATOM 0 HB2 TYR A 99 -18.407 8.249 9.485 1.00 33.45 H new ATOM 0 HB3 TYR A 99 -18.277 9.568 10.631 1.00 33.45 H new ATOM 0 HD1 TYR A 99 -19.810 9.069 12.882 1.00 11.43 H new ATOM 0 HD2 TYR A 99 -18.015 6.134 10.369 1.00 34.31 H new ATOM 0 HE1 TYR A 99 -19.840 7.464 14.739 1.00 75.02 H new ATOM 0 HE2 TYR A 99 -18.051 4.523 12.223 1.00 51.24 H new ATOM 0 HH TYR A 99 -18.586 4.144 14.333 1.00 51.33 H new ATOM 1673 N GLU A 100 -20.014 9.487 7.544 1.00 2.41 N ATOM 1674 CA GLU A 100 -19.897 10.233 6.297 1.00 52.34 C ATOM 1675 C GLU A 100 -21.193 10.977 5.984 1.00 24.20 C ATOM 1676 O GLU A 100 -21.178 12.168 5.674 1.00 3.11 O ATOM 1677 CB GLU A 100 -19.546 9.290 5.144 1.00 55.43 C ATOM 1678 CG GLU A 100 -19.345 10.001 3.816 1.00 43.20 C ATOM 1679 CD GLU A 100 -18.573 11.299 3.960 1.00 31.41 C ATOM 1680 OE1 GLU A 100 -17.506 11.286 4.609 1.00 52.12 O ATOM 1681 OE2 GLU A 100 -19.037 12.327 3.423 1.00 22.44 O ATOM 0 H GLU A 100 -19.967 8.474 7.436 1.00 2.41 H new ATOM 0 HA GLU A 100 -19.098 10.965 6.415 1.00 52.34 H new ATOM 0 HB2 GLU A 100 -18.637 8.745 5.396 1.00 55.43 H new ATOM 0 HB3 GLU A 100 -20.340 8.552 5.035 1.00 55.43 H new ATOM 0 HG2 GLU A 100 -18.813 9.340 3.131 1.00 43.20 H new ATOM 0 HG3 GLU A 100 -20.317 10.208 3.368 1.00 43.20 H new ATOM 1688 N ARG A 101 -22.312 10.264 6.067 1.00 4.54 N ATOM 1689 CA ARG A 101 -23.616 10.855 5.792 1.00 44.31 C ATOM 1690 C ARG A 101 -23.935 11.959 6.795 1.00 12.35 C ATOM 1691 O ARG A 101 -24.561 12.963 6.452 1.00 35.43 O ATOM 1692 CB ARG A 101 -24.705 9.782 5.834 1.00 22.13 C ATOM 1693 CG ARG A 101 -25.000 9.269 7.234 1.00 14.12 C ATOM 1694 CD ARG A 101 -26.124 8.244 7.226 1.00 4.14 C ATOM 1695 NE ARG A 101 -26.970 8.351 8.411 1.00 35.04 N ATOM 1696 CZ ARG A 101 -28.117 7.697 8.557 1.00 73.53 C ATOM 1697 NH1 ARG A 101 -28.552 6.892 7.596 1.00 5.14 N ATOM 1698 NH2 ARG A 101 -28.832 7.846 9.665 1.00 60.34 N ATOM 0 H ARG A 101 -22.341 9.277 6.322 1.00 4.54 H new ATOM 0 HA ARG A 101 -23.585 11.293 4.794 1.00 44.31 H new ATOM 0 HB2 ARG A 101 -25.621 10.189 5.405 1.00 22.13 H new ATOM 0 HB3 ARG A 101 -24.403 8.944 5.205 1.00 22.13 H new ATOM 0 HG2 ARG A 101 -24.100 8.821 7.656 1.00 14.12 H new ATOM 0 HG3 ARG A 101 -25.272 10.104 7.879 1.00 14.12 H new ATOM 0 HD2 ARG A 101 -26.733 8.381 6.332 1.00 4.14 H new ATOM 0 HD3 ARG A 101 -25.700 7.241 7.173 1.00 4.14 H new ATOM 0 HE ARG A 101 -26.664 8.961 9.168 1.00 35.04 H new ATOM 0 HH11 ARG A 101 -28.005 6.774 6.743 1.00 5.14 H new ATOM 0 HH12 ARG A 101 -29.433 6.391 7.710 1.00 5.14 H new ATOM 0 HH21 ARG A 101 -28.501 8.464 10.406 1.00 60.34 H new ATOM 0 HH22 ARG A 101 -29.712 7.343 9.775 1.00 60.34 H new ATOM 1712 N HIS A 102 -23.501 11.767 8.037 1.00 13.12 N ATOM 1713 CA HIS A 102 -23.741 12.747 9.091 1.00 32.41 C ATOM 1714 C HIS A 102 -22.942 14.022 8.840 1.00 73.24 C ATOM 1715 O HIS A 102 -23.448 15.129 9.023 1.00 21.45 O ATOM 1716 CB HIS A 102 -23.373 12.161 10.454 1.00 23.44 C ATOM 1717 CG HIS A 102 -24.487 11.394 11.098 1.00 61.23 C ATOM 1718 ND1 HIS A 102 -24.369 10.786 12.330 1.00 51.40 N ATOM 1719 CD2 HIS A 102 -25.747 11.139 10.673 1.00 24.11 C ATOM 1720 CE1 HIS A 102 -25.507 10.190 12.635 1.00 75.52 C ATOM 1721 NE2 HIS A 102 -26.360 10.389 11.646 1.00 32.30 N ATOM 0 H HIS A 102 -22.982 10.942 8.338 1.00 13.12 H new ATOM 0 HA HIS A 102 -24.802 12.997 9.086 1.00 32.41 H new ATOM 0 HB2 HIS A 102 -22.511 11.504 10.337 1.00 23.44 H new ATOM 0 HB3 HIS A 102 -23.069 12.970 11.118 1.00 23.44 H new ATOM 0 HD2 HIS A 102 -26.188 11.465 9.742 1.00 24.11 H new ATOM 0 HE1 HIS A 102 -25.707 9.634 13.539 1.00 75.52 H new ATOM 0 HE2 HIS A 102 -27.318 10.042 11.611 1.00 32.30 H new ATOM 1729 N MET A 103 -21.692 13.858 8.419 1.00 53.11 N ATOM 1730 CA MET A 103 -20.824 14.997 8.142 1.00 32.30 C ATOM 1731 C MET A 103 -21.391 15.850 7.012 1.00 63.03 C ATOM 1732 O MET A 103 -21.415 17.078 7.101 1.00 34.22 O ATOM 1733 CB MET A 103 -19.418 14.517 7.779 1.00 62.53 C ATOM 1734 CG MET A 103 -18.333 15.066 8.691 1.00 34.24 C ATOM 1735 SD MET A 103 -18.536 14.541 10.405 1.00 41.35 S ATOM 1736 CE MET A 103 -17.710 15.876 11.267 1.00 14.33 C ATOM 0 H MET A 103 -21.258 12.948 8.262 1.00 53.11 H new ATOM 0 HA MET A 103 -20.770 15.609 9.043 1.00 32.30 H new ATOM 0 HB2 MET A 103 -19.394 13.428 7.815 1.00 62.53 H new ATOM 0 HB3 MET A 103 -19.198 14.807 6.751 1.00 62.53 H new ATOM 0 HG2 MET A 103 -17.359 14.739 8.328 1.00 34.24 H new ATOM 0 HG3 MET A 103 -18.342 16.155 8.645 1.00 34.24 H new ATOM 0 HE1 MET A 103 -17.751 15.696 12.341 1.00 14.33 H new ATOM 0 HE2 MET A 103 -16.669 15.927 10.947 1.00 14.33 H new ATOM 0 HE3 MET A 103 -18.206 16.819 11.038 1.00 14.33 H new ATOM 1746 N ILE A 104 -21.844 15.192 5.950 1.00 41.21 N ATOM 1747 CA ILE A 104 -22.410 15.891 4.803 1.00 15.43 C ATOM 1748 C ILE A 104 -23.838 16.346 5.087 1.00 72.31 C ATOM 1749 O ILE A 104 -24.339 17.281 4.462 1.00 61.52 O ATOM 1750 CB ILE A 104 -22.407 15.004 3.545 1.00 65.05 C ATOM 1751 CG1 ILE A 104 -23.406 13.856 3.700 1.00 54.30 C ATOM 1752 CG2 ILE A 104 -21.009 14.464 3.282 1.00 63.04 C ATOM 1753 CD1 ILE A 104 -23.451 12.928 2.506 1.00 12.14 C ATOM 0 H ILE A 104 -21.830 14.176 5.860 1.00 41.21 H new ATOM 0 HA ILE A 104 -21.781 16.763 4.624 1.00 15.43 H new ATOM 0 HB ILE A 104 -22.709 15.610 2.691 1.00 65.05 H new ATOM 0 HG12 ILE A 104 -23.149 13.279 4.589 1.00 54.30 H new ATOM 0 HG13 ILE A 104 -24.400 14.270 3.865 1.00 54.30 H new ATOM 0 HG21 ILE A 104 -21.023 13.839 2.389 1.00 63.04 H new ATOM 0 HG22 ILE A 104 -20.320 15.295 3.132 1.00 63.04 H new ATOM 0 HG23 ILE A 104 -20.682 13.871 4.136 1.00 63.04 H new ATOM 0 HD11 ILE A 104 -24.181 12.138 2.686 1.00 12.14 H new ATOM 0 HD12 ILE A 104 -23.738 13.491 1.618 1.00 12.14 H new ATOM 0 HD13 ILE A 104 -22.467 12.485 2.352 1.00 12.14 H new ATOM 1765 N SER A 105 -24.488 15.679 6.035 1.00 34.50 N ATOM 1766 CA SER A 105 -25.860 16.012 6.401 1.00 41.21 C ATOM 1767 C SER A 105 -25.945 17.433 6.951 1.00 72.30 C ATOM 1768 O SER A 105 -26.956 18.114 6.783 1.00 42.54 O ATOM 1769 CB SER A 105 -26.390 15.019 7.437 1.00 3.22 C ATOM 1770 OG SER A 105 -27.192 15.672 8.406 1.00 43.21 O ATOM 0 H SER A 105 -24.087 14.905 6.564 1.00 34.50 H new ATOM 0 HA SER A 105 -26.475 15.951 5.503 1.00 41.21 H new ATOM 0 HB2 SER A 105 -26.974 14.246 6.938 1.00 3.22 H new ATOM 0 HB3 SER A 105 -25.554 14.520 7.928 1.00 3.22 H new ATOM 0 HG SER A 105 -27.520 15.015 9.056 1.00 43.21 H new ATOM 1776 N GLN A 106 -24.877 17.871 7.609 1.00 22.20 N ATOM 1777 CA GLN A 106 -24.831 19.210 8.185 1.00 63.42 C ATOM 1778 C GLN A 106 -25.113 20.268 7.124 1.00 10.40 C ATOM 1779 O GLN A 106 -25.834 21.233 7.374 1.00 13.42 O ATOM 1780 CB GLN A 106 -23.466 19.465 8.827 1.00 61.13 C ATOM 1781 CG GLN A 106 -23.441 19.208 10.325 1.00 44.32 C ATOM 1782 CD GLN A 106 -22.134 19.630 10.967 1.00 1.22 C ATOM 1783 OE1 GLN A 106 -21.508 18.858 11.693 1.00 21.44 O ATOM 1784 NE2 GLN A 106 -21.714 20.862 10.703 1.00 55.04 N ATOM 0 H GLN A 106 -24.032 17.319 7.757 1.00 22.20 H new ATOM 0 HA GLN A 106 -25.603 19.276 8.952 1.00 63.42 H new ATOM 0 HB2 GLN A 106 -22.723 18.830 8.345 1.00 61.13 H new ATOM 0 HB3 GLN A 106 -23.173 20.498 8.639 1.00 61.13 H new ATOM 0 HG2 GLN A 106 -24.263 19.746 10.796 1.00 44.32 H new ATOM 0 HG3 GLN A 106 -23.607 18.147 10.511 1.00 44.32 H new ATOM 0 HE21 GLN A 106 -22.264 21.469 10.096 1.00 55.04 H new ATOM 0 HE22 GLN A 106 -20.841 21.201 11.108 1.00 55.04 H new ATOM 1793 N GLU A 107 -24.539 20.080 5.940 1.00 51.43 N ATOM 1794 CA GLU A 107 -24.729 21.021 4.842 1.00 61.13 C ATOM 1795 C GLU A 107 -26.163 20.969 4.323 1.00 50.22 C ATOM 1796 O GLU A 107 -26.656 21.929 3.733 1.00 52.44 O ATOM 1797 CB GLU A 107 -23.752 20.715 3.704 1.00 10.34 C ATOM 1798 CG GLU A 107 -23.760 21.757 2.599 1.00 50.43 C ATOM 1799 CD GLU A 107 -24.202 21.189 1.264 1.00 22.22 C ATOM 1800 OE1 GLU A 107 -25.415 20.946 1.096 1.00 33.21 O ATOM 1801 OE2 GLU A 107 -23.335 20.986 0.389 1.00 41.54 O ATOM 0 H GLU A 107 -23.939 19.286 5.717 1.00 51.43 H new ATOM 0 HA GLU A 107 -24.534 22.025 5.220 1.00 61.13 H new ATOM 0 HB2 GLU A 107 -22.744 20.638 4.112 1.00 10.34 H new ATOM 0 HB3 GLU A 107 -23.998 19.743 3.277 1.00 10.34 H new ATOM 0 HG2 GLU A 107 -24.425 22.574 2.880 1.00 50.43 H new ATOM 0 HG3 GLU A 107 -22.761 22.180 2.497 1.00 50.43 H new