USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 885 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 66 CYS SG : rot -68:sc= -1.29! USER MOD Set 1.2: A 71 SER OG : rot -94:sc= -0.247 USER MOD Set 2.1: A 59 HIS : no HD1:sc= -2.55 K(o=-5.1,f=-9!) USER MOD Set 2.2: A 92 HIS : no HE2:sc= -2.52 K(o=-5.1,f=-6.8!) USER MOD Set 3.1: A 29 THR OG1 : rot 180:sc= -0.805! USER MOD Set 3.2: A 30 ASN : amide:sc= 0 X(o=-0.81,f=-0.81) USER MOD Single : A 7 LYS NZ :NH3+ 167:sc= -0.616 (180deg=-1.42!) USER MOD Single : A 10 LYS NZ :NH3+ 162:sc= -1.42 (180deg=-2.07!) USER MOD Single : A 15 GLN : amide:sc= -6.28! C(o=-6.3!,f=-3.3!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -130:sc= -2.8 USER MOD Single : A 41 TYR OH : rot -171:sc= -0.985! USER MOD Single : A 45 LYS NZ :NH3+ 167:sc= 0.95 (180deg=0.696) USER MOD Single : A 46 THR OG1 : rot 180:sc= -3.11! USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.175 K(o=-0.17,f=-1.1!) USER MOD Single : A 53 ASN : amide:sc= -1.04 X(o=-1,f=-0.68) USER MOD Single : A 55 GLN : amide:sc= -7.29! C(o=-7.3!,f=-10!) USER MOD Single : A 56 TYR OH : rot 120:sc=-0.00474 USER MOD Single : A 60 TYR OH : rot 139:sc= -0.411 USER MOD Single : A 64 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.5) USER MOD Single : A 67 SER OG : rot 180:sc= 0.00322 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 140:sc= -0.118 USER MOD Single : A 80 GLN : amide:sc= -0.719 K(o=-0.72,f=-4.5!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= 0.879 K(o=0.88,f=-0.38) USER MOD Single : A 91 GLN : amide:sc= -1.07 K(o=-1.1,f=-2!) USER MOD Single : A 96 GLN : amide:sc= -3.84! C(o=-3.8!,f=-12!) USER MOD Single : A 100 SER OG : rot 180:sc= -0.263 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot -70:sc= -0.341 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 7:sc= 0.677 USER MOD Single : A 112 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0127) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -159:sc= -0.44 (180deg=-1.69!) USER MOD Single : A 115 LYS NZ :NH3+ 149:sc= -0.253 (180deg=-1.15) USER MOD ----------------------------------------------------------------- ATOM 35 N PRO A 3 104.246 -7.680 12.055 1.00 0.00 N ATOM 36 CA PRO A 3 104.061 -8.674 10.959 1.00 0.00 C ATOM 37 C PRO A 3 102.851 -9.580 11.199 1.00 0.00 C ATOM 38 O PRO A 3 102.987 -10.746 11.510 1.00 0.00 O ATOM 39 CB PRO A 3 105.356 -9.490 10.982 1.00 0.00 C ATOM 40 CG PRO A 3 105.893 -9.350 12.368 1.00 0.00 C ATOM 41 CD PRO A 3 105.415 -7.994 12.891 1.00 0.00 C ATOM 0 HA PRO A 3 103.871 -8.190 10.001 1.00 0.00 H new ATOM 0 HB2 PRO A 3 105.165 -10.535 10.739 1.00 0.00 H new ATOM 0 HB3 PRO A 3 106.068 -9.117 10.246 1.00 0.00 H new ATOM 0 HG2 PRO A 3 105.535 -10.158 13.005 1.00 0.00 H new ATOM 0 HG3 PRO A 3 106.982 -9.403 12.368 1.00 0.00 H new ATOM 0 HD2 PRO A 3 105.148 -8.045 13.947 1.00 0.00 H new ATOM 0 HD3 PRO A 3 106.190 -7.234 12.795 1.00 0.00 H new ATOM 49 N GLU A 4 101.664 -9.050 11.064 1.00 0.00 N ATOM 50 CA GLU A 4 100.448 -9.882 11.291 1.00 0.00 C ATOM 51 C GLU A 4 100.114 -10.670 10.025 1.00 0.00 C ATOM 52 O GLU A 4 99.834 -11.852 10.074 1.00 0.00 O ATOM 53 CB GLU A 4 99.270 -8.974 11.652 1.00 0.00 C ATOM 54 CG GLU A 4 99.636 -8.122 12.869 1.00 0.00 C ATOM 55 CD GLU A 4 99.884 -9.032 14.074 1.00 0.00 C ATOM 56 OE1 GLU A 4 98.924 -9.362 14.750 1.00 0.00 O ATOM 57 OE2 GLU A 4 101.030 -9.381 14.301 1.00 0.00 O ATOM 0 H GLU A 4 101.485 -8.079 10.807 1.00 0.00 H new ATOM 0 HA GLU A 4 100.637 -10.579 12.108 1.00 0.00 H new ATOM 0 HB2 GLU A 4 99.020 -8.332 10.807 1.00 0.00 H new ATOM 0 HB3 GLU A 4 98.387 -9.575 11.868 1.00 0.00 H new ATOM 0 HG2 GLU A 4 100.527 -7.530 12.657 1.00 0.00 H new ATOM 0 HG3 GLU A 4 98.832 -7.420 13.090 1.00 0.00 H new ATOM 64 N PHE A 5 100.136 -10.028 8.892 1.00 0.00 N ATOM 65 CA PHE A 5 99.815 -10.747 7.626 1.00 0.00 C ATOM 66 C PHE A 5 100.912 -11.774 7.335 1.00 0.00 C ATOM 67 O PHE A 5 100.650 -12.844 6.820 1.00 0.00 O ATOM 68 CB PHE A 5 99.724 -9.744 6.467 1.00 0.00 C ATOM 69 CG PHE A 5 98.282 -9.339 6.253 1.00 0.00 C ATOM 70 CD1 PHE A 5 97.923 -7.986 6.283 1.00 0.00 C ATOM 71 CD2 PHE A 5 97.303 -10.314 6.024 1.00 0.00 C ATOM 72 CE1 PHE A 5 96.589 -7.612 6.090 1.00 0.00 C ATOM 73 CE2 PHE A 5 95.971 -9.938 5.828 1.00 0.00 C ATOM 74 CZ PHE A 5 95.617 -8.587 5.863 1.00 0.00 C ATOM 0 H PHE A 5 100.362 -9.039 8.786 1.00 0.00 H new ATOM 0 HA PHE A 5 98.857 -11.257 7.731 1.00 0.00 H new ATOM 0 HB2 PHE A 5 100.330 -8.865 6.686 1.00 0.00 H new ATOM 0 HB3 PHE A 5 100.126 -10.189 5.556 1.00 0.00 H new ATOM 0 HD1 PHE A 5 98.676 -7.231 6.455 1.00 0.00 H new ATOM 0 HD2 PHE A 5 97.578 -11.358 5.999 1.00 0.00 H new ATOM 0 HE1 PHE A 5 96.311 -6.569 6.117 1.00 0.00 H new ATOM 0 HE2 PHE A 5 95.217 -10.690 5.650 1.00 0.00 H new ATOM 0 HZ PHE A 5 94.588 -8.296 5.714 1.00 0.00 H new ATOM 84 N LEU A 6 102.135 -11.461 7.658 1.00 0.00 N ATOM 85 CA LEU A 6 103.242 -12.424 7.402 1.00 0.00 C ATOM 86 C LEU A 6 103.038 -13.670 8.266 1.00 0.00 C ATOM 87 O LEU A 6 103.339 -14.774 7.863 1.00 0.00 O ATOM 88 CB LEU A 6 104.582 -11.774 7.750 1.00 0.00 C ATOM 89 CG LEU A 6 104.848 -10.598 6.801 1.00 0.00 C ATOM 90 CD1 LEU A 6 104.474 -9.283 7.488 1.00 0.00 C ATOM 91 CD2 LEU A 6 106.335 -10.567 6.430 1.00 0.00 C ATOM 0 H LEU A 6 102.416 -10.580 8.088 1.00 0.00 H new ATOM 0 HA LEU A 6 103.242 -12.705 6.349 1.00 0.00 H new ATOM 0 HB2 LEU A 6 104.571 -11.425 8.783 1.00 0.00 H new ATOM 0 HB3 LEU A 6 105.385 -12.507 7.670 1.00 0.00 H new ATOM 0 HG LEU A 6 104.246 -10.721 5.901 1.00 0.00 H new ATOM 0 HD11 LEU A 6 104.665 -8.451 6.810 1.00 0.00 H new ATOM 0 HD12 LEU A 6 103.417 -9.299 7.754 1.00 0.00 H new ATOM 0 HD13 LEU A 6 105.073 -9.160 8.390 1.00 0.00 H new ATOM 0 HD21 LEU A 6 106.524 -9.732 5.756 1.00 0.00 H new ATOM 0 HD22 LEU A 6 106.933 -10.447 7.333 1.00 0.00 H new ATOM 0 HD23 LEU A 6 106.606 -11.500 5.937 1.00 0.00 H new ATOM 103 N LYS A 7 102.526 -13.497 9.454 1.00 0.00 N ATOM 104 CA LYS A 7 102.298 -14.663 10.348 1.00 0.00 C ATOM 105 C LYS A 7 100.808 -15.008 10.366 1.00 0.00 C ATOM 106 O LYS A 7 100.375 -15.902 11.066 1.00 0.00 O ATOM 107 CB LYS A 7 102.758 -14.318 11.765 1.00 0.00 C ATOM 108 CG LYS A 7 104.283 -14.421 11.847 1.00 0.00 C ATOM 109 CD LYS A 7 104.796 -13.518 12.970 1.00 0.00 C ATOM 110 CE LYS A 7 106.242 -13.887 13.305 1.00 0.00 C ATOM 111 NZ LYS A 7 106.868 -14.559 12.130 1.00 0.00 N ATOM 0 H LYS A 7 102.255 -12.594 9.844 1.00 0.00 H new ATOM 0 HA LYS A 7 102.865 -15.518 9.980 1.00 0.00 H new ATOM 0 HB2 LYS A 7 102.436 -13.310 12.028 1.00 0.00 H new ATOM 0 HB3 LYS A 7 102.298 -14.997 12.483 1.00 0.00 H new ATOM 0 HG2 LYS A 7 104.579 -15.454 12.032 1.00 0.00 H new ATOM 0 HG3 LYS A 7 104.730 -14.127 10.897 1.00 0.00 H new ATOM 0 HD2 LYS A 7 104.738 -12.473 12.665 1.00 0.00 H new ATOM 0 HD3 LYS A 7 104.168 -13.628 13.854 1.00 0.00 H new ATOM 0 HE2 LYS A 7 106.805 -12.992 13.568 1.00 0.00 H new ATOM 0 HE3 LYS A 7 106.269 -14.547 14.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 107.897 -14.612 12.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 106.482 -15.520 12.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 106.662 -14.014 11.268 1.00 0.00 H new ATOM 125 N ALA A 8 100.018 -14.303 9.602 1.00 0.00 N ATOM 126 CA ALA A 8 98.555 -14.590 9.574 1.00 0.00 C ATOM 127 C ALA A 8 98.332 -16.097 9.436 1.00 0.00 C ATOM 128 O ALA A 8 99.264 -16.862 9.287 1.00 0.00 O ATOM 129 CB ALA A 8 97.917 -13.864 8.388 1.00 0.00 C ATOM 0 H ALA A 8 100.322 -13.541 8.996 1.00 0.00 H new ATOM 0 HA ALA A 8 98.097 -14.242 10.500 1.00 0.00 H new ATOM 0 HB1 ALA A 8 96.847 -14.073 8.366 1.00 0.00 H new ATOM 0 HB2 ALA A 8 98.075 -12.790 8.491 1.00 0.00 H new ATOM 0 HB3 ALA A 8 98.373 -14.211 7.461 1.00 0.00 H new ATOM 135 N GLY A 9 97.101 -16.530 9.485 1.00 0.00 N ATOM 136 CA GLY A 9 96.814 -17.988 9.356 1.00 0.00 C ATOM 137 C GLY A 9 96.320 -18.529 10.699 1.00 0.00 C ATOM 138 O GLY A 9 96.203 -19.723 10.892 1.00 0.00 O ATOM 0 H GLY A 9 96.281 -15.936 9.609 1.00 0.00 H new ATOM 0 HA2 GLY A 9 96.062 -18.155 8.585 1.00 0.00 H new ATOM 0 HA3 GLY A 9 97.713 -18.521 9.045 1.00 0.00 H new ATOM 142 N LYS A 10 96.030 -17.661 11.629 1.00 0.00 N ATOM 143 CA LYS A 10 95.546 -18.127 12.957 1.00 0.00 C ATOM 144 C LYS A 10 94.066 -18.499 12.859 1.00 0.00 C ATOM 145 O LYS A 10 93.428 -18.804 13.847 1.00 0.00 O ATOM 146 CB LYS A 10 95.725 -17.010 13.987 1.00 0.00 C ATOM 147 CG LYS A 10 95.314 -15.672 13.368 1.00 0.00 C ATOM 148 CD LYS A 10 95.242 -14.599 14.460 1.00 0.00 C ATOM 149 CE LYS A 10 93.814 -14.514 15.005 1.00 0.00 C ATOM 150 NZ LYS A 10 93.464 -15.790 15.692 1.00 0.00 N ATOM 0 H LYS A 10 96.108 -16.649 11.526 1.00 0.00 H new ATOM 0 HA LYS A 10 96.120 -19.001 13.266 1.00 0.00 H new ATOM 0 HB2 LYS A 10 95.120 -17.215 14.870 1.00 0.00 H new ATOM 0 HB3 LYS A 10 96.764 -16.967 14.315 1.00 0.00 H new ATOM 0 HG2 LYS A 10 96.032 -15.378 12.603 1.00 0.00 H new ATOM 0 HG3 LYS A 10 94.346 -15.770 12.876 1.00 0.00 H new ATOM 0 HD2 LYS A 10 95.936 -14.839 15.266 1.00 0.00 H new ATOM 0 HD3 LYS A 10 95.545 -13.633 14.055 1.00 0.00 H new ATOM 0 HE2 LYS A 10 93.729 -13.679 15.701 1.00 0.00 H new ATOM 0 HE3 LYS A 10 93.114 -14.323 14.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 92.643 -15.637 16.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 93.231 -16.514 14.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 94.273 -16.111 16.261 1.00 0.00 H new ATOM 164 N GLU A 11 93.514 -18.478 11.678 1.00 0.00 N ATOM 165 CA GLU A 11 92.074 -18.831 11.524 1.00 0.00 C ATOM 166 C GLU A 11 91.719 -18.892 10.032 1.00 0.00 C ATOM 167 O GLU A 11 92.059 -18.003 9.276 1.00 0.00 O ATOM 168 CB GLU A 11 91.214 -17.766 12.208 1.00 0.00 C ATOM 169 CG GLU A 11 91.350 -16.441 11.459 1.00 0.00 C ATOM 170 CD GLU A 11 91.015 -15.284 12.401 1.00 0.00 C ATOM 171 OE1 GLU A 11 90.100 -15.437 13.193 1.00 0.00 O ATOM 172 OE2 GLU A 11 91.681 -14.264 12.317 1.00 0.00 O ATOM 0 H GLU A 11 93.996 -18.232 10.814 1.00 0.00 H new ATOM 0 HA GLU A 11 91.886 -19.802 11.983 1.00 0.00 H new ATOM 0 HB2 GLU A 11 90.171 -18.081 12.224 1.00 0.00 H new ATOM 0 HB3 GLU A 11 91.526 -17.643 13.245 1.00 0.00 H new ATOM 0 HG2 GLU A 11 92.365 -16.330 11.077 1.00 0.00 H new ATOM 0 HG3 GLU A 11 90.682 -16.428 10.598 1.00 0.00 H new ATOM 179 N PRO A 12 91.038 -19.928 9.611 1.00 0.00 N ATOM 180 CA PRO A 12 90.632 -20.094 8.186 1.00 0.00 C ATOM 181 C PRO A 12 89.473 -19.169 7.803 1.00 0.00 C ATOM 182 O PRO A 12 88.318 -19.519 7.937 1.00 0.00 O ATOM 183 CB PRO A 12 90.195 -21.559 8.102 1.00 0.00 C ATOM 184 CG PRO A 12 89.758 -21.917 9.482 1.00 0.00 C ATOM 185 CD PRO A 12 90.578 -21.056 10.443 1.00 0.00 C ATOM 0 HA PRO A 12 91.442 -19.840 7.502 1.00 0.00 H new ATOM 0 HB2 PRO A 12 89.383 -21.687 7.386 1.00 0.00 H new ATOM 0 HB3 PRO A 12 91.015 -22.196 7.771 1.00 0.00 H new ATOM 0 HG2 PRO A 12 88.692 -21.731 9.610 1.00 0.00 H new ATOM 0 HG3 PRO A 12 89.922 -22.977 9.677 1.00 0.00 H new ATOM 0 HD2 PRO A 12 89.975 -20.712 11.283 1.00 0.00 H new ATOM 0 HD3 PRO A 12 91.417 -21.613 10.860 1.00 0.00 H new ATOM 193 N GLY A 13 89.772 -17.991 7.326 1.00 0.00 N ATOM 194 CA GLY A 13 88.686 -17.050 6.938 1.00 0.00 C ATOM 195 C GLY A 13 89.264 -15.933 6.067 1.00 0.00 C ATOM 196 O GLY A 13 89.610 -16.141 4.921 1.00 0.00 O ATOM 0 H GLY A 13 90.720 -17.641 7.189 1.00 0.00 H new ATOM 0 HA2 GLY A 13 87.906 -17.583 6.394 1.00 0.00 H new ATOM 0 HA3 GLY A 13 88.221 -16.627 7.829 1.00 0.00 H new ATOM 200 N LEU A 14 89.369 -14.748 6.602 1.00 0.00 N ATOM 201 CA LEU A 14 89.922 -13.615 5.805 1.00 0.00 C ATOM 202 C LEU A 14 90.451 -12.533 6.747 1.00 0.00 C ATOM 203 O LEU A 14 89.873 -12.260 7.780 1.00 0.00 O ATOM 204 CB LEU A 14 88.817 -13.030 4.921 1.00 0.00 C ATOM 205 CG LEU A 14 89.381 -11.883 4.078 1.00 0.00 C ATOM 206 CD1 LEU A 14 90.393 -12.433 3.072 1.00 0.00 C ATOM 207 CD2 LEU A 14 88.238 -11.197 3.327 1.00 0.00 C ATOM 0 H LEU A 14 89.096 -14.514 7.557 1.00 0.00 H new ATOM 0 HA LEU A 14 90.738 -13.976 5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 14 88.410 -13.805 4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 14 87.996 -12.669 5.540 1.00 0.00 H new ATOM 0 HG LEU A 14 89.876 -11.163 4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 14 90.793 -11.614 2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 14 91.207 -12.923 3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 14 89.902 -13.154 2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 14 88.636 -10.380 2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 14 87.745 -11.919 2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 14 87.517 -10.803 4.043 1.00 0.00 H new ATOM 219 N GLN A 15 91.545 -11.912 6.394 1.00 0.00 N ATOM 220 CA GLN A 15 92.115 -10.844 7.263 1.00 0.00 C ATOM 221 C GLN A 15 92.319 -9.572 6.434 1.00 0.00 C ATOM 222 O GLN A 15 92.783 -9.621 5.311 1.00 0.00 O ATOM 223 CB GLN A 15 93.458 -11.316 7.830 1.00 0.00 C ATOM 224 CG GLN A 15 93.219 -12.180 9.075 1.00 0.00 C ATOM 225 CD GLN A 15 94.119 -13.417 9.025 1.00 0.00 C ATOM 226 OE1 GLN A 15 93.674 -14.490 8.667 1.00 0.00 O ATOM 227 NE2 GLN A 15 95.372 -13.314 9.373 1.00 0.00 N ATOM 0 H GLN A 15 92.069 -12.100 5.539 1.00 0.00 H new ATOM 0 HA GLN A 15 91.431 -10.632 8.085 1.00 0.00 H new ATOM 0 HB2 GLN A 15 94.001 -11.888 7.077 1.00 0.00 H new ATOM 0 HB3 GLN A 15 94.078 -10.457 8.085 1.00 0.00 H new ATOM 0 HG2 GLN A 15 93.428 -11.603 9.976 1.00 0.00 H new ATOM 0 HG3 GLN A 15 92.173 -12.481 9.125 1.00 0.00 H new ATOM 0 HE21 GLN A 15 95.746 -12.414 9.673 1.00 0.00 H new ATOM 0 HE22 GLN A 15 95.978 -14.134 9.345 1.00 0.00 H new ATOM 236 N ILE A 16 91.962 -8.435 6.975 1.00 0.00 N ATOM 237 CA ILE A 16 92.121 -7.158 6.218 1.00 0.00 C ATOM 238 C ILE A 16 92.773 -6.101 7.112 1.00 0.00 C ATOM 239 O ILE A 16 92.188 -5.651 8.078 1.00 0.00 O ATOM 240 CB ILE A 16 90.743 -6.656 5.779 1.00 0.00 C ATOM 241 CG1 ILE A 16 89.891 -7.841 5.313 1.00 0.00 C ATOM 242 CG2 ILE A 16 90.900 -5.652 4.631 1.00 0.00 C ATOM 243 CD1 ILE A 16 88.509 -7.339 4.889 1.00 0.00 C ATOM 0 H ILE A 16 91.567 -8.337 7.910 1.00 0.00 H new ATOM 0 HA ILE A 16 92.750 -7.335 5.346 1.00 0.00 H new ATOM 0 HB ILE A 16 90.253 -6.166 6.620 1.00 0.00 H new ATOM 0 HG12 ILE A 16 90.378 -8.347 4.479 1.00 0.00 H new ATOM 0 HG13 ILE A 16 89.794 -8.571 6.116 1.00 0.00 H new ATOM 0 HG21 ILE A 16 89.917 -5.297 4.321 1.00 0.00 H new ATOM 0 HG22 ILE A 16 91.502 -4.807 4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 16 91.393 -6.137 3.788 1.00 0.00 H new ATOM 0 HD11 ILE A 16 87.902 -8.181 4.557 1.00 0.00 H new ATOM 0 HD12 ILE A 16 88.023 -6.853 5.735 1.00 0.00 H new ATOM 0 HD13 ILE A 16 88.616 -6.625 4.072 1.00 0.00 H new ATOM 255 N TRP A 17 93.972 -5.683 6.793 1.00 0.00 N ATOM 256 CA TRP A 17 94.633 -4.636 7.630 1.00 0.00 C ATOM 257 C TRP A 17 95.367 -3.648 6.721 1.00 0.00 C ATOM 258 O TRP A 17 95.801 -3.991 5.639 1.00 0.00 O ATOM 259 CB TRP A 17 95.634 -5.282 8.597 1.00 0.00 C ATOM 260 CG TRP A 17 94.940 -6.306 9.436 1.00 0.00 C ATOM 261 CD1 TRP A 17 93.761 -6.119 10.077 1.00 0.00 C ATOM 262 CD2 TRP A 17 95.359 -7.667 9.740 1.00 0.00 C ATOM 263 NE1 TRP A 17 93.431 -7.280 10.752 1.00 0.00 N ATOM 264 CE2 TRP A 17 94.386 -8.262 10.576 1.00 0.00 C ATOM 265 CE3 TRP A 17 96.480 -8.437 9.375 1.00 0.00 C ATOM 266 CZ2 TRP A 17 94.518 -9.575 11.034 1.00 0.00 C ATOM 267 CZ3 TRP A 17 96.616 -9.756 9.834 1.00 0.00 C ATOM 268 CH2 TRP A 17 95.639 -10.324 10.661 1.00 0.00 C ATOM 0 H TRP A 17 94.517 -6.017 5.998 1.00 0.00 H new ATOM 0 HA TRP A 17 93.872 -4.111 8.208 1.00 0.00 H new ATOM 0 HB2 TRP A 17 96.446 -5.747 8.037 1.00 0.00 H new ATOM 0 HB3 TRP A 17 96.082 -4.519 9.234 1.00 0.00 H new ATOM 0 HD1 TRP A 17 93.175 -5.212 10.063 1.00 0.00 H new ATOM 0 HE1 TRP A 17 92.586 -7.397 11.311 1.00 0.00 H new ATOM 0 HE3 TRP A 17 97.240 -8.010 8.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 93.761 -10.008 11.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 97.480 -10.337 9.548 1.00 0.00 H new ATOM 0 HH2 TRP A 17 95.751 -11.340 11.011 1.00 0.00 H new ATOM 279 N ARG A 18 95.504 -2.423 7.150 1.00 0.00 N ATOM 280 CA ARG A 18 96.205 -1.412 6.309 1.00 0.00 C ATOM 281 C ARG A 18 97.649 -1.257 6.791 1.00 0.00 C ATOM 282 O ARG A 18 97.956 -1.488 7.943 1.00 0.00 O ATOM 283 CB ARG A 18 95.479 -0.067 6.421 1.00 0.00 C ATOM 284 CG ARG A 18 96.374 1.047 5.873 1.00 0.00 C ATOM 285 CD ARG A 18 95.561 2.337 5.741 1.00 0.00 C ATOM 286 NE ARG A 18 95.061 2.748 7.085 1.00 0.00 N ATOM 287 CZ ARG A 18 93.898 2.331 7.507 1.00 0.00 C ATOM 288 NH1 ARG A 18 93.466 2.692 8.684 1.00 0.00 N ATOM 289 NH2 ARG A 18 93.165 1.556 6.755 1.00 0.00 N ATOM 0 H ARG A 18 95.161 -2.079 8.047 1.00 0.00 H new ATOM 0 HA ARG A 18 96.205 -1.740 5.270 1.00 0.00 H new ATOM 0 HB2 ARG A 18 94.542 -0.101 5.865 1.00 0.00 H new ATOM 0 HB3 ARG A 18 95.225 0.135 7.462 1.00 0.00 H new ATOM 0 HG2 ARG A 18 97.223 1.206 6.538 1.00 0.00 H new ATOM 0 HG3 ARG A 18 96.779 0.759 4.903 1.00 0.00 H new ATOM 0 HD2 ARG A 18 96.179 3.127 5.314 1.00 0.00 H new ATOM 0 HD3 ARG A 18 94.723 2.184 5.061 1.00 0.00 H new ATOM 0 HE ARG A 18 95.629 3.356 7.675 1.00 0.00 H new ATOM 0 HH11 ARG A 18 94.037 3.299 9.273 1.00 0.00 H new ATOM 0 HH12 ARG A 18 92.558 2.367 9.016 1.00 0.00 H new ATOM 0 HH21 ARG A 18 93.500 1.274 5.834 1.00 0.00 H new ATOM 0 HH22 ARG A 18 92.257 1.232 7.088 1.00 0.00 H new ATOM 303 N VAL A 19 98.538 -0.868 5.918 1.00 0.00 N ATOM 304 CA VAL A 19 99.958 -0.700 6.330 1.00 0.00 C ATOM 305 C VAL A 19 100.180 0.726 6.833 1.00 0.00 C ATOM 306 O VAL A 19 99.731 1.683 6.234 1.00 0.00 O ATOM 307 CB VAL A 19 100.876 -0.964 5.134 1.00 0.00 C ATOM 308 CG1 VAL A 19 100.775 0.201 4.147 1.00 0.00 C ATOM 309 CG2 VAL A 19 102.320 -1.090 5.622 1.00 0.00 C ATOM 0 H VAL A 19 98.341 -0.660 4.939 1.00 0.00 H new ATOM 0 HA VAL A 19 100.187 -1.408 7.127 1.00 0.00 H new ATOM 0 HB VAL A 19 100.574 -1.888 4.640 1.00 0.00 H new ATOM 0 HG11 VAL A 19 101.429 0.014 3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 19 99.746 0.296 3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 19 101.079 1.124 4.641 1.00 0.00 H new ATOM 0 HG21 VAL A 19 102.976 -1.278 4.772 1.00 0.00 H new ATOM 0 HG22 VAL A 19 102.620 -0.165 6.114 1.00 0.00 H new ATOM 0 HG23 VAL A 19 102.395 -1.917 6.328 1.00 0.00 H new ATOM 319 N GLU A 20 100.873 0.879 7.927 1.00 0.00 N ATOM 320 CA GLU A 20 101.126 2.245 8.463 1.00 0.00 C ATOM 321 C GLU A 20 102.384 2.817 7.805 1.00 0.00 C ATOM 322 O GLU A 20 103.278 2.092 7.420 1.00 0.00 O ATOM 323 CB GLU A 20 101.330 2.172 9.978 1.00 0.00 C ATOM 324 CG GLU A 20 100.939 3.510 10.610 1.00 0.00 C ATOM 325 CD GLU A 20 101.017 3.397 12.135 1.00 0.00 C ATOM 326 OE1 GLU A 20 99.973 3.405 12.764 1.00 0.00 O ATOM 327 OE2 GLU A 20 102.121 3.301 12.646 1.00 0.00 O ATOM 0 H GLU A 20 101.275 0.117 8.473 1.00 0.00 H new ATOM 0 HA GLU A 20 100.273 2.888 8.246 1.00 0.00 H new ATOM 0 HB2 GLU A 20 100.726 1.368 10.399 1.00 0.00 H new ATOM 0 HB3 GLU A 20 102.371 1.941 10.205 1.00 0.00 H new ATOM 0 HG2 GLU A 20 101.605 4.298 10.259 1.00 0.00 H new ATOM 0 HG3 GLU A 20 99.929 3.786 10.306 1.00 0.00 H new ATOM 334 N LYS A 21 102.457 4.113 7.674 1.00 0.00 N ATOM 335 CA LYS A 21 103.656 4.733 7.042 1.00 0.00 C ATOM 336 C LYS A 21 104.918 4.027 7.539 1.00 0.00 C ATOM 337 O LYS A 21 105.965 4.098 6.927 1.00 0.00 O ATOM 338 CB LYS A 21 103.718 6.217 7.415 1.00 0.00 C ATOM 339 CG LYS A 21 103.141 6.415 8.817 1.00 0.00 C ATOM 340 CD LYS A 21 103.466 7.826 9.309 1.00 0.00 C ATOM 341 CE LYS A 21 102.568 8.170 10.501 1.00 0.00 C ATOM 342 NZ LYS A 21 101.266 8.698 10.005 1.00 0.00 N ATOM 0 H LYS A 21 101.738 4.770 7.977 1.00 0.00 H new ATOM 0 HA LYS A 21 103.589 4.633 5.959 1.00 0.00 H new ATOM 0 HB2 LYS A 21 104.749 6.568 7.382 1.00 0.00 H new ATOM 0 HB3 LYS A 21 103.156 6.808 6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 21 102.062 6.263 8.802 1.00 0.00 H new ATOM 0 HG3 LYS A 21 103.557 5.675 9.501 1.00 0.00 H new ATOM 0 HD2 LYS A 21 104.515 7.889 9.600 1.00 0.00 H new ATOM 0 HD3 LYS A 21 103.314 8.547 8.506 1.00 0.00 H new ATOM 0 HE2 LYS A 21 102.404 7.284 11.114 1.00 0.00 H new ATOM 0 HE3 LYS A 21 103.055 8.911 11.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 100.655 8.932 10.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 101.432 9.554 9.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 100.801 7.977 9.417 1.00 0.00 H new ATOM 356 N PHE A 22 104.829 3.346 8.649 1.00 0.00 N ATOM 357 CA PHE A 22 106.024 2.634 9.186 1.00 0.00 C ATOM 358 C PHE A 22 105.575 1.566 10.185 1.00 0.00 C ATOM 359 O PHE A 22 106.237 1.307 11.171 1.00 0.00 O ATOM 360 CB PHE A 22 106.942 3.637 9.888 1.00 0.00 C ATOM 361 CG PHE A 22 107.830 4.309 8.869 1.00 0.00 C ATOM 362 CD1 PHE A 22 108.936 3.627 8.347 1.00 0.00 C ATOM 363 CD2 PHE A 22 107.549 5.614 8.447 1.00 0.00 C ATOM 364 CE1 PHE A 22 109.761 4.251 7.401 1.00 0.00 C ATOM 365 CE2 PHE A 22 108.374 6.237 7.504 1.00 0.00 C ATOM 366 CZ PHE A 22 109.479 5.555 6.981 1.00 0.00 C ATOM 0 H PHE A 22 103.981 3.252 9.207 1.00 0.00 H new ATOM 0 HA PHE A 22 106.564 2.160 8.366 1.00 0.00 H new ATOM 0 HB2 PHE A 22 106.347 4.383 10.415 1.00 0.00 H new ATOM 0 HB3 PHE A 22 107.550 3.128 10.636 1.00 0.00 H new ATOM 0 HD1 PHE A 22 109.153 2.621 8.673 1.00 0.00 H new ATOM 0 HD2 PHE A 22 106.696 6.140 8.849 1.00 0.00 H new ATOM 0 HE1 PHE A 22 110.614 3.725 6.997 1.00 0.00 H new ATOM 0 HE2 PHE A 22 108.158 7.244 7.180 1.00 0.00 H new ATOM 0 HZ PHE A 22 110.114 6.036 6.252 1.00 0.00 H new ATOM 376 N ASP A 23 104.455 0.942 9.940 1.00 0.00 N ATOM 377 CA ASP A 23 103.964 -0.108 10.877 1.00 0.00 C ATOM 378 C ASP A 23 102.712 -0.770 10.295 1.00 0.00 C ATOM 379 O ASP A 23 102.685 -1.161 9.144 1.00 0.00 O ATOM 380 CB ASP A 23 103.626 0.530 12.227 1.00 0.00 C ATOM 381 CG ASP A 23 103.738 -0.522 13.332 1.00 0.00 C ATOM 382 OD1 ASP A 23 103.638 -0.150 14.489 1.00 0.00 O ATOM 383 OD2 ASP A 23 103.922 -1.683 13.001 1.00 0.00 O ATOM 0 H ASP A 23 103.858 1.114 9.131 1.00 0.00 H new ATOM 0 HA ASP A 23 104.739 -0.861 11.016 1.00 0.00 H new ATOM 0 HB2 ASP A 23 104.304 1.359 12.429 1.00 0.00 H new ATOM 0 HB3 ASP A 23 102.617 0.942 12.204 1.00 0.00 H new ATOM 388 N LEU A 24 101.676 -0.898 11.078 1.00 0.00 N ATOM 389 CA LEU A 24 100.429 -1.536 10.567 1.00 0.00 C ATOM 390 C LEU A 24 99.209 -0.829 11.167 1.00 0.00 C ATOM 391 O LEU A 24 99.237 -0.373 12.292 1.00 0.00 O ATOM 392 CB LEU A 24 100.411 -3.013 10.968 1.00 0.00 C ATOM 393 CG LEU A 24 99.498 -3.789 10.016 1.00 0.00 C ATOM 394 CD1 LEU A 24 100.288 -4.206 8.774 1.00 0.00 C ATOM 395 CD2 LEU A 24 98.970 -5.039 10.725 1.00 0.00 C ATOM 0 H LEU A 24 101.639 -0.589 12.049 1.00 0.00 H new ATOM 0 HA LEU A 24 100.398 -1.453 9.481 1.00 0.00 H new ATOM 0 HB2 LEU A 24 101.421 -3.422 10.935 1.00 0.00 H new ATOM 0 HB3 LEU A 24 100.058 -3.118 11.994 1.00 0.00 H new ATOM 0 HG LEU A 24 98.662 -3.156 9.719 1.00 0.00 H new ATOM 0 HD11 LEU A 24 99.637 -4.759 8.097 1.00 0.00 H new ATOM 0 HD12 LEU A 24 100.667 -3.318 8.269 1.00 0.00 H new ATOM 0 HD13 LEU A 24 101.124 -4.839 9.070 1.00 0.00 H new ATOM 0 HD21 LEU A 24 98.319 -5.593 10.049 1.00 0.00 H new ATOM 0 HD22 LEU A 24 99.808 -5.670 11.021 1.00 0.00 H new ATOM 0 HD23 LEU A 24 98.407 -4.744 11.610 1.00 0.00 H new ATOM 407 N VAL A 25 98.142 -0.737 10.421 1.00 0.00 N ATOM 408 CA VAL A 25 96.920 -0.060 10.942 1.00 0.00 C ATOM 409 C VAL A 25 95.699 -0.952 10.694 1.00 0.00 C ATOM 410 O VAL A 25 95.113 -0.927 9.629 1.00 0.00 O ATOM 411 CB VAL A 25 96.729 1.271 10.213 1.00 0.00 C ATOM 412 CG1 VAL A 25 95.833 2.189 11.047 1.00 0.00 C ATOM 413 CG2 VAL A 25 98.090 1.939 10.008 1.00 0.00 C ATOM 0 H VAL A 25 98.064 -1.102 9.472 1.00 0.00 H new ATOM 0 HA VAL A 25 97.031 0.120 12.011 1.00 0.00 H new ATOM 0 HB VAL A 25 96.261 1.090 9.245 1.00 0.00 H new ATOM 0 HG11 VAL A 25 95.698 3.137 10.526 1.00 0.00 H new ATOM 0 HG12 VAL A 25 94.863 1.715 11.194 1.00 0.00 H new ATOM 0 HG13 VAL A 25 96.299 2.370 12.016 1.00 0.00 H new ATOM 0 HG21 VAL A 25 97.955 2.888 9.488 1.00 0.00 H new ATOM 0 HG22 VAL A 25 98.557 2.119 10.977 1.00 0.00 H new ATOM 0 HG23 VAL A 25 98.729 1.287 9.413 1.00 0.00 H new ATOM 423 N PRO A 26 95.317 -1.737 11.669 1.00 0.00 N ATOM 424 CA PRO A 26 94.146 -2.655 11.550 1.00 0.00 C ATOM 425 C PRO A 26 92.910 -1.946 10.984 1.00 0.00 C ATOM 426 O PRO A 26 92.702 -0.769 11.207 1.00 0.00 O ATOM 427 CB PRO A 26 93.894 -3.112 12.987 1.00 0.00 C ATOM 428 CG PRO A 26 95.212 -2.987 13.675 1.00 0.00 C ATOM 429 CD PRO A 26 95.957 -1.838 12.991 1.00 0.00 C ATOM 0 HA PRO A 26 94.343 -3.478 10.863 1.00 0.00 H new ATOM 0 HB2 PRO A 26 93.138 -2.493 13.470 1.00 0.00 H new ATOM 0 HB3 PRO A 26 93.531 -4.139 13.015 1.00 0.00 H new ATOM 0 HG2 PRO A 26 95.076 -2.783 14.737 1.00 0.00 H new ATOM 0 HG3 PRO A 26 95.778 -3.915 13.599 1.00 0.00 H new ATOM 0 HD2 PRO A 26 95.861 -0.909 13.553 1.00 0.00 H new ATOM 0 HD3 PRO A 26 97.023 -2.049 12.904 1.00 0.00 H new ATOM 437 N VAL A 27 92.092 -2.653 10.252 1.00 0.00 N ATOM 438 CA VAL A 27 90.872 -2.023 9.669 1.00 0.00 C ATOM 439 C VAL A 27 89.623 -2.586 10.359 1.00 0.00 C ATOM 440 O VAL A 27 89.186 -3.679 10.060 1.00 0.00 O ATOM 441 CB VAL A 27 90.807 -2.337 8.175 1.00 0.00 C ATOM 442 CG1 VAL A 27 89.608 -1.620 7.555 1.00 0.00 C ATOM 443 CG2 VAL A 27 92.093 -1.856 7.497 1.00 0.00 C ATOM 0 H VAL A 27 92.216 -3.641 10.032 1.00 0.00 H new ATOM 0 HA VAL A 27 90.914 -0.944 9.818 1.00 0.00 H new ATOM 0 HB VAL A 27 90.701 -3.413 8.034 1.00 0.00 H new ATOM 0 HG11 VAL A 27 89.561 -1.844 6.489 1.00 0.00 H new ATOM 0 HG12 VAL A 27 88.692 -1.960 8.038 1.00 0.00 H new ATOM 0 HG13 VAL A 27 89.715 -0.544 7.695 1.00 0.00 H new ATOM 0 HG21 VAL A 27 92.048 -2.079 6.431 1.00 0.00 H new ATOM 0 HG22 VAL A 27 92.198 -0.780 7.638 1.00 0.00 H new ATOM 0 HG23 VAL A 27 92.950 -2.365 7.939 1.00 0.00 H new ATOM 453 N PRO A 28 89.052 -1.845 11.274 1.00 0.00 N ATOM 454 CA PRO A 28 87.830 -2.281 12.013 1.00 0.00 C ATOM 455 C PRO A 28 86.700 -2.707 11.072 1.00 0.00 C ATOM 456 O PRO A 28 86.704 -2.396 9.895 1.00 0.00 O ATOM 457 CB PRO A 28 87.412 -1.043 12.812 1.00 0.00 C ATOM 458 CG PRO A 28 88.637 -0.196 12.921 1.00 0.00 C ATOM 459 CD PRO A 28 89.506 -0.513 11.705 1.00 0.00 C ATOM 0 HA PRO A 28 88.034 -3.152 12.636 1.00 0.00 H new ATOM 0 HB2 PRO A 28 86.609 -0.505 12.308 1.00 0.00 H new ATOM 0 HB3 PRO A 28 87.040 -1.321 13.798 1.00 0.00 H new ATOM 0 HG2 PRO A 28 88.374 0.862 12.943 1.00 0.00 H new ATOM 0 HG3 PRO A 28 89.173 -0.410 13.845 1.00 0.00 H new ATOM 0 HD2 PRO A 28 89.373 0.228 10.916 1.00 0.00 H new ATOM 0 HD3 PRO A 28 90.565 -0.517 11.963 1.00 0.00 H new ATOM 467 N THR A 29 85.728 -3.413 11.583 1.00 0.00 N ATOM 468 CA THR A 29 84.595 -3.852 10.723 1.00 0.00 C ATOM 469 C THR A 29 83.831 -2.619 10.236 1.00 0.00 C ATOM 470 O THR A 29 84.132 -1.506 10.615 1.00 0.00 O ATOM 471 CB THR A 29 83.656 -4.751 11.530 1.00 0.00 C ATOM 472 OG1 THR A 29 82.343 -4.664 10.995 1.00 0.00 O ATOM 473 CG2 THR A 29 83.644 -4.296 12.991 1.00 0.00 C ATOM 0 H THR A 29 85.671 -3.704 12.559 1.00 0.00 H new ATOM 0 HA THR A 29 84.977 -4.410 9.868 1.00 0.00 H new ATOM 0 HB THR A 29 84.003 -5.783 11.475 1.00 0.00 H new ATOM 0 HG1 THR A 29 81.741 -5.241 11.510 1.00 0.00 H new ATOM 0 HG21 THR A 29 82.975 -4.936 13.566 1.00 0.00 H new ATOM 0 HG22 THR A 29 84.652 -4.363 13.401 1.00 0.00 H new ATOM 0 HG23 THR A 29 83.297 -3.264 13.048 1.00 0.00 H new ATOM 481 N ASN A 30 82.847 -2.810 9.400 1.00 0.00 N ATOM 482 CA ASN A 30 82.063 -1.649 8.885 1.00 0.00 C ATOM 483 C ASN A 30 82.976 -0.752 8.044 1.00 0.00 C ATOM 484 O ASN A 30 82.578 -0.235 7.018 1.00 0.00 O ATOM 485 CB ASN A 30 81.483 -0.848 10.059 1.00 0.00 C ATOM 486 CG ASN A 30 79.977 -1.104 10.165 1.00 0.00 C ATOM 487 OD1 ASN A 30 79.180 -0.287 9.748 1.00 0.00 O ATOM 488 ND2 ASN A 30 79.552 -2.212 10.706 1.00 0.00 N ATOM 0 H ASN A 30 82.551 -3.721 9.050 1.00 0.00 H new ATOM 0 HA ASN A 30 81.243 -2.013 8.266 1.00 0.00 H new ATOM 0 HB2 ASN A 30 81.977 -1.136 10.987 1.00 0.00 H new ATOM 0 HB3 ASN A 30 81.671 0.216 9.914 1.00 0.00 H new ATOM 0 HD21 ASN A 30 78.551 -2.393 10.779 1.00 0.00 H new ATOM 0 HD22 ASN A 30 80.221 -2.898 11.056 1.00 0.00 H new ATOM 495 N LEU A 31 84.197 -0.568 8.464 1.00 0.00 N ATOM 496 CA LEU A 31 85.131 0.289 7.683 1.00 0.00 C ATOM 497 C LEU A 31 85.764 -0.541 6.568 1.00 0.00 C ATOM 498 O LEU A 31 85.894 -0.096 5.445 1.00 0.00 O ATOM 499 CB LEU A 31 86.225 0.829 8.607 1.00 0.00 C ATOM 500 CG LEU A 31 85.584 1.462 9.844 1.00 0.00 C ATOM 501 CD1 LEU A 31 86.650 2.211 10.645 1.00 0.00 C ATOM 502 CD2 LEU A 31 84.495 2.442 9.408 1.00 0.00 C ATOM 0 H LEU A 31 84.588 -0.974 9.314 1.00 0.00 H new ATOM 0 HA LEU A 31 84.583 1.125 7.248 1.00 0.00 H new ATOM 0 HB2 LEU A 31 86.895 0.022 8.904 1.00 0.00 H new ATOM 0 HB3 LEU A 31 86.829 1.567 8.080 1.00 0.00 H new ATOM 0 HG LEU A 31 85.145 0.681 10.465 1.00 0.00 H new ATOM 0 HD11 LEU A 31 86.193 2.662 11.526 1.00 0.00 H new ATOM 0 HD12 LEU A 31 87.428 1.514 10.956 1.00 0.00 H new ATOM 0 HD13 LEU A 31 87.090 2.992 10.024 1.00 0.00 H new ATOM 0 HD21 LEU A 31 84.038 2.893 10.289 1.00 0.00 H new ATOM 0 HD22 LEU A 31 84.935 3.222 8.787 1.00 0.00 H new ATOM 0 HD23 LEU A 31 83.734 1.910 8.837 1.00 0.00 H new ATOM 514 N TYR A 32 86.155 -1.747 6.869 1.00 0.00 N ATOM 515 CA TYR A 32 86.777 -2.611 5.825 1.00 0.00 C ATOM 516 C TYR A 32 85.994 -2.473 4.516 1.00 0.00 C ATOM 517 O TYR A 32 84.782 -2.400 4.514 1.00 0.00 O ATOM 518 CB TYR A 32 86.747 -4.072 6.286 1.00 0.00 C ATOM 519 CG TYR A 32 85.346 -4.617 6.153 1.00 0.00 C ATOM 520 CD1 TYR A 32 84.308 -4.076 6.920 1.00 0.00 C ATOM 521 CD2 TYR A 32 85.084 -5.663 5.260 1.00 0.00 C ATOM 522 CE1 TYR A 32 83.007 -4.582 6.796 1.00 0.00 C ATOM 523 CE2 TYR A 32 83.784 -6.169 5.135 1.00 0.00 C ATOM 524 CZ TYR A 32 82.746 -5.629 5.902 1.00 0.00 C ATOM 525 OH TYR A 32 81.466 -6.127 5.778 1.00 0.00 O ATOM 0 H TYR A 32 86.071 -2.173 7.792 1.00 0.00 H new ATOM 0 HA TYR A 32 87.810 -2.302 5.666 1.00 0.00 H new ATOM 0 HB2 TYR A 32 87.437 -4.667 5.688 1.00 0.00 H new ATOM 0 HB3 TYR A 32 87.079 -4.144 7.322 1.00 0.00 H new ATOM 0 HD1 TYR A 32 84.510 -3.268 7.608 1.00 0.00 H new ATOM 0 HD2 TYR A 32 85.885 -6.080 4.667 1.00 0.00 H new ATOM 0 HE1 TYR A 32 82.206 -4.165 7.389 1.00 0.00 H new ATOM 0 HE2 TYR A 32 83.583 -6.976 4.446 1.00 0.00 H new ATOM 0 HH TYR A 32 81.459 -6.849 5.115 1.00 0.00 H new ATOM 535 N GLY A 33 86.680 -2.435 3.404 1.00 0.00 N ATOM 536 CA GLY A 33 85.977 -2.300 2.096 1.00 0.00 C ATOM 537 C GLY A 33 86.396 -0.990 1.425 1.00 0.00 C ATOM 538 O GLY A 33 86.361 -0.861 0.217 1.00 0.00 O ATOM 0 H GLY A 33 87.697 -2.492 3.346 1.00 0.00 H new ATOM 0 HA2 GLY A 33 86.220 -3.145 1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 33 84.898 -2.314 2.248 1.00 0.00 H new ATOM 542 N ASP A 34 86.792 -0.018 2.200 1.00 0.00 N ATOM 543 CA ASP A 34 87.213 1.282 1.606 1.00 0.00 C ATOM 544 C ASP A 34 88.732 1.289 1.425 1.00 0.00 C ATOM 545 O ASP A 34 89.452 0.596 2.117 1.00 0.00 O ATOM 546 CB ASP A 34 86.803 2.425 2.536 1.00 0.00 C ATOM 547 CG ASP A 34 85.296 2.657 2.428 1.00 0.00 C ATOM 548 OD1 ASP A 34 84.600 1.730 2.044 1.00 0.00 O ATOM 549 OD2 ASP A 34 84.861 3.757 2.728 1.00 0.00 O ATOM 0 H ASP A 34 86.842 -0.068 3.218 1.00 0.00 H new ATOM 0 HA ASP A 34 86.731 1.414 0.637 1.00 0.00 H new ATOM 0 HB2 ASP A 34 87.072 2.185 3.565 1.00 0.00 H new ATOM 0 HB3 ASP A 34 87.341 3.335 2.270 1.00 0.00 H new ATOM 554 N PHE A 35 89.227 2.066 0.501 1.00 0.00 N ATOM 555 CA PHE A 35 90.700 2.116 0.280 1.00 0.00 C ATOM 556 C PHE A 35 91.124 3.554 -0.021 1.00 0.00 C ATOM 557 O PHE A 35 90.606 4.192 -0.916 1.00 0.00 O ATOM 558 CB PHE A 35 91.067 1.218 -0.905 1.00 0.00 C ATOM 559 CG PHE A 35 90.620 -0.196 -0.622 1.00 0.00 C ATOM 560 CD1 PHE A 35 89.320 -0.597 -0.949 1.00 0.00 C ATOM 561 CD2 PHE A 35 91.506 -1.106 -0.032 1.00 0.00 C ATOM 562 CE1 PHE A 35 88.904 -1.908 -0.687 1.00 0.00 C ATOM 563 CE2 PHE A 35 91.090 -2.416 0.230 1.00 0.00 C ATOM 564 CZ PHE A 35 89.790 -2.818 -0.097 1.00 0.00 C ATOM 0 H PHE A 35 88.675 2.668 -0.110 1.00 0.00 H new ATOM 0 HA PHE A 35 91.214 1.767 1.176 1.00 0.00 H new ATOM 0 HB2 PHE A 35 90.592 1.586 -1.815 1.00 0.00 H new ATOM 0 HB3 PHE A 35 92.143 1.243 -1.075 1.00 0.00 H new ATOM 0 HD1 PHE A 35 88.637 0.105 -1.404 1.00 0.00 H new ATOM 0 HD2 PHE A 35 92.510 -0.797 0.221 1.00 0.00 H new ATOM 0 HE1 PHE A 35 87.901 -2.217 -0.940 1.00 0.00 H new ATOM 0 HE2 PHE A 35 91.773 -3.118 0.685 1.00 0.00 H new ATOM 0 HZ PHE A 35 89.470 -3.829 0.106 1.00 0.00 H new ATOM 574 N PHE A 36 92.065 4.071 0.721 1.00 0.00 N ATOM 575 CA PHE A 36 92.523 5.468 0.479 1.00 0.00 C ATOM 576 C PHE A 36 93.581 5.471 -0.627 1.00 0.00 C ATOM 577 O PHE A 36 94.649 4.910 -0.478 1.00 0.00 O ATOM 578 CB PHE A 36 93.124 6.039 1.764 1.00 0.00 C ATOM 579 CG PHE A 36 92.147 5.863 2.900 1.00 0.00 C ATOM 580 CD1 PHE A 36 90.880 6.455 2.832 1.00 0.00 C ATOM 581 CD2 PHE A 36 92.506 5.109 4.024 1.00 0.00 C ATOM 582 CE1 PHE A 36 89.973 6.292 3.885 1.00 0.00 C ATOM 583 CE2 PHE A 36 91.600 4.946 5.077 1.00 0.00 C ATOM 584 CZ PHE A 36 90.332 5.538 5.008 1.00 0.00 C ATOM 0 H PHE A 36 92.536 3.586 1.484 1.00 0.00 H new ATOM 0 HA PHE A 36 91.675 6.081 0.173 1.00 0.00 H new ATOM 0 HB2 PHE A 36 94.061 5.533 1.995 1.00 0.00 H new ATOM 0 HB3 PHE A 36 93.356 7.096 1.631 1.00 0.00 H new ATOM 0 HD1 PHE A 36 90.603 7.038 1.966 1.00 0.00 H new ATOM 0 HD2 PHE A 36 93.483 4.653 4.078 1.00 0.00 H new ATOM 0 HE1 PHE A 36 88.996 6.748 3.831 1.00 0.00 H new ATOM 0 HE2 PHE A 36 91.878 4.364 5.943 1.00 0.00 H new ATOM 0 HZ PHE A 36 89.632 5.413 5.821 1.00 0.00 H new ATOM 594 N THR A 37 93.294 6.096 -1.735 1.00 0.00 N ATOM 595 CA THR A 37 94.282 6.133 -2.849 1.00 0.00 C ATOM 596 C THR A 37 95.626 6.646 -2.324 1.00 0.00 C ATOM 597 O THR A 37 96.608 6.680 -3.037 1.00 0.00 O ATOM 598 CB THR A 37 93.774 7.063 -3.951 1.00 0.00 C ATOM 599 OG1 THR A 37 94.182 8.396 -3.671 1.00 0.00 O ATOM 600 CG2 THR A 37 92.247 6.999 -4.011 1.00 0.00 C ATOM 0 H THR A 37 92.417 6.583 -1.917 1.00 0.00 H new ATOM 0 HA THR A 37 94.411 5.129 -3.253 1.00 0.00 H new ATOM 0 HB THR A 37 94.188 6.749 -4.909 1.00 0.00 H new ATOM 0 HG1 THR A 37 93.410 8.996 -3.739 1.00 0.00 H new ATOM 0 HG21 THR A 37 91.886 7.662 -4.797 1.00 0.00 H new ATOM 0 HG22 THR A 37 91.934 5.977 -4.226 1.00 0.00 H new ATOM 0 HG23 THR A 37 91.832 7.312 -3.053 1.00 0.00 H new ATOM 608 N GLY A 38 95.675 7.047 -1.081 1.00 0.00 N ATOM 609 CA GLY A 38 96.956 7.559 -0.511 1.00 0.00 C ATOM 610 C GLY A 38 97.487 6.570 0.529 1.00 0.00 C ATOM 611 O GLY A 38 98.114 6.951 1.497 1.00 0.00 O ATOM 0 H GLY A 38 94.884 7.042 -0.436 1.00 0.00 H new ATOM 0 HA2 GLY A 38 97.690 7.696 -1.305 1.00 0.00 H new ATOM 0 HA3 GLY A 38 96.797 8.535 -0.052 1.00 0.00 H new ATOM 615 N ASP A 39 97.241 5.302 0.338 1.00 0.00 N ATOM 616 CA ASP A 39 97.733 4.293 1.316 1.00 0.00 C ATOM 617 C ASP A 39 97.765 2.912 0.655 1.00 0.00 C ATOM 618 O ASP A 39 97.534 2.776 -0.530 1.00 0.00 O ATOM 619 CB ASP A 39 96.798 4.256 2.528 1.00 0.00 C ATOM 620 CG ASP A 39 96.851 5.600 3.255 1.00 0.00 C ATOM 621 OD1 ASP A 39 97.846 5.856 3.914 1.00 0.00 O ATOM 622 OD2 ASP A 39 95.896 6.351 3.141 1.00 0.00 O ATOM 0 H ASP A 39 96.721 4.923 -0.453 1.00 0.00 H new ATOM 0 HA ASP A 39 98.738 4.564 1.640 1.00 0.00 H new ATOM 0 HB2 ASP A 39 95.778 4.044 2.207 1.00 0.00 H new ATOM 0 HB3 ASP A 39 97.093 3.453 3.204 1.00 0.00 H new ATOM 627 N ALA A 40 98.049 1.887 1.414 1.00 0.00 N ATOM 628 CA ALA A 40 98.095 0.516 0.831 1.00 0.00 C ATOM 629 C ALA A 40 97.355 -0.456 1.752 1.00 0.00 C ATOM 630 O ALA A 40 97.424 -0.352 2.963 1.00 0.00 O ATOM 631 CB ALA A 40 99.554 0.074 0.682 1.00 0.00 C ATOM 0 H ALA A 40 98.251 1.941 2.412 1.00 0.00 H new ATOM 0 HA ALA A 40 97.616 0.520 -0.148 1.00 0.00 H new ATOM 0 HB1 ALA A 40 99.589 -0.929 0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 40 100.079 0.767 0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 40 100.034 0.069 1.660 1.00 0.00 H new ATOM 637 N TYR A 41 96.647 -1.398 1.191 1.00 0.00 N ATOM 638 CA TYR A 41 95.899 -2.377 2.031 1.00 0.00 C ATOM 639 C TYR A 41 96.368 -3.797 1.709 1.00 0.00 C ATOM 640 O TYR A 41 96.575 -4.148 0.563 1.00 0.00 O ATOM 641 CB TYR A 41 94.401 -2.257 1.739 1.00 0.00 C ATOM 642 CG TYR A 41 93.860 -1.002 2.381 1.00 0.00 C ATOM 643 CD1 TYR A 41 93.046 -1.090 3.516 1.00 0.00 C ATOM 644 CD2 TYR A 41 94.174 0.251 1.840 1.00 0.00 C ATOM 645 CE1 TYR A 41 92.545 0.075 4.111 1.00 0.00 C ATOM 646 CE2 TYR A 41 93.674 1.416 2.434 1.00 0.00 C ATOM 647 CZ TYR A 41 92.859 1.328 3.570 1.00 0.00 C ATOM 648 OH TYR A 41 92.364 2.475 4.156 1.00 0.00 O ATOM 0 H TYR A 41 96.554 -1.532 0.184 1.00 0.00 H new ATOM 0 HA TYR A 41 96.085 -2.166 3.084 1.00 0.00 H new ATOM 0 HB2 TYR A 41 94.231 -2.230 0.663 1.00 0.00 H new ATOM 0 HB3 TYR A 41 93.874 -3.130 2.123 1.00 0.00 H new ATOM 0 HD1 TYR A 41 92.804 -2.056 3.933 1.00 0.00 H new ATOM 0 HD2 TYR A 41 94.802 0.319 0.964 1.00 0.00 H new ATOM 0 HE1 TYR A 41 91.917 0.007 4.987 1.00 0.00 H new ATOM 0 HE2 TYR A 41 93.917 2.382 2.017 1.00 0.00 H new ATOM 0 HH TYR A 41 92.555 3.245 3.581 1.00 0.00 H new ATOM 658 N VAL A 42 96.533 -4.617 2.712 1.00 0.00 N ATOM 659 CA VAL A 42 96.985 -6.017 2.471 1.00 0.00 C ATOM 660 C VAL A 42 95.903 -6.981 2.953 1.00 0.00 C ATOM 661 O VAL A 42 95.348 -6.821 4.027 1.00 0.00 O ATOM 662 CB VAL A 42 98.264 -6.277 3.257 1.00 0.00 C ATOM 663 CG1 VAL A 42 99.124 -7.305 2.519 1.00 0.00 C ATOM 664 CG2 VAL A 42 99.047 -4.971 3.409 1.00 0.00 C ATOM 0 H VAL A 42 96.374 -4.377 3.690 1.00 0.00 H new ATOM 0 HA VAL A 42 97.170 -6.164 1.407 1.00 0.00 H new ATOM 0 HB VAL A 42 98.007 -6.663 4.243 1.00 0.00 H new ATOM 0 HG11 VAL A 42 100.038 -7.488 3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 42 98.568 -8.237 2.416 1.00 0.00 H new ATOM 0 HG13 VAL A 42 99.379 -6.923 1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 42 99.962 -5.158 3.971 1.00 0.00 H new ATOM 0 HG22 VAL A 42 99.301 -4.582 2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 42 98.437 -4.241 3.941 1.00 0.00 H new ATOM 674 N ILE A 43 95.586 -7.975 2.165 1.00 0.00 N ATOM 675 CA ILE A 43 94.528 -8.939 2.581 1.00 0.00 C ATOM 676 C ILE A 43 95.032 -10.377 2.426 1.00 0.00 C ATOM 677 O ILE A 43 95.815 -10.682 1.550 1.00 0.00 O ATOM 678 CB ILE A 43 93.282 -8.737 1.710 1.00 0.00 C ATOM 679 CG1 ILE A 43 93.459 -7.492 0.830 1.00 0.00 C ATOM 680 CG2 ILE A 43 92.066 -8.547 2.610 1.00 0.00 C ATOM 681 CD1 ILE A 43 93.530 -6.238 1.708 1.00 0.00 C ATOM 0 H ILE A 43 96.012 -8.159 1.257 1.00 0.00 H new ATOM 0 HA ILE A 43 94.278 -8.762 3.627 1.00 0.00 H new ATOM 0 HB ILE A 43 93.140 -9.611 1.074 1.00 0.00 H new ATOM 0 HG12 ILE A 43 94.368 -7.582 0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 43 92.628 -7.410 0.130 1.00 0.00 H new ATOM 0 HG21 ILE A 43 91.177 -8.403 1.995 1.00 0.00 H new ATOM 0 HG22 ILE A 43 91.935 -9.430 3.236 1.00 0.00 H new ATOM 0 HG23 ILE A 43 92.215 -7.672 3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 43 93.656 -5.358 1.077 1.00 0.00 H new ATOM 0 HD12 ILE A 43 92.609 -6.144 2.283 1.00 0.00 H new ATOM 0 HD13 ILE A 43 94.376 -6.319 2.390 1.00 0.00 H new ATOM 693 N LEU A 44 94.576 -11.263 3.273 1.00 0.00 N ATOM 694 CA LEU A 44 95.016 -12.684 3.174 1.00 0.00 C ATOM 695 C LEU A 44 93.823 -13.609 3.422 1.00 0.00 C ATOM 696 O LEU A 44 93.256 -13.635 4.496 1.00 0.00 O ATOM 697 CB LEU A 44 96.106 -12.966 4.212 1.00 0.00 C ATOM 698 CG LEU A 44 96.653 -14.386 4.011 1.00 0.00 C ATOM 699 CD1 LEU A 44 98.163 -14.398 4.260 1.00 0.00 C ATOM 700 CD2 LEU A 44 95.972 -15.348 4.989 1.00 0.00 C ATOM 0 H LEU A 44 93.919 -11.063 4.027 1.00 0.00 H new ATOM 0 HA LEU A 44 95.416 -12.865 2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 44 96.911 -12.238 4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 44 95.700 -12.861 5.218 1.00 0.00 H new ATOM 0 HG LEU A 44 96.449 -14.703 2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 44 98.547 -15.408 4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 44 98.653 -13.720 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 44 98.366 -14.074 5.281 1.00 0.00 H new ATOM 0 HD21 LEU A 44 96.364 -16.354 4.842 1.00 0.00 H new ATOM 0 HD22 LEU A 44 96.170 -15.027 6.012 1.00 0.00 H new ATOM 0 HD23 LEU A 44 94.897 -15.348 4.810 1.00 0.00 H new ATOM 712 N LYS A 45 93.441 -14.369 2.432 1.00 0.00 N ATOM 713 CA LYS A 45 92.289 -15.297 2.605 1.00 0.00 C ATOM 714 C LYS A 45 92.806 -16.676 3.018 1.00 0.00 C ATOM 715 O LYS A 45 93.580 -17.294 2.314 1.00 0.00 O ATOM 716 CB LYS A 45 91.522 -15.415 1.286 1.00 0.00 C ATOM 717 CG LYS A 45 90.204 -16.153 1.525 1.00 0.00 C ATOM 718 CD LYS A 45 89.524 -16.434 0.182 1.00 0.00 C ATOM 719 CE LYS A 45 88.148 -17.055 0.427 1.00 0.00 C ATOM 720 NZ LYS A 45 87.498 -17.349 -0.882 1.00 0.00 N ATOM 0 H LYS A 45 93.878 -14.387 1.510 1.00 0.00 H new ATOM 0 HA LYS A 45 91.624 -14.909 3.377 1.00 0.00 H new ATOM 0 HB2 LYS A 45 91.327 -14.424 0.877 1.00 0.00 H new ATOM 0 HB3 LYS A 45 92.123 -15.951 0.551 1.00 0.00 H new ATOM 0 HG2 LYS A 45 90.389 -17.088 2.053 1.00 0.00 H new ATOM 0 HG3 LYS A 45 89.549 -15.554 2.158 1.00 0.00 H new ATOM 0 HD2 LYS A 45 89.422 -15.510 -0.386 1.00 0.00 H new ATOM 0 HD3 LYS A 45 90.138 -17.109 -0.415 1.00 0.00 H new ATOM 0 HE2 LYS A 45 88.248 -17.971 1.010 1.00 0.00 H new ATOM 0 HE3 LYS A 45 87.527 -16.373 1.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 86.673 -17.963 -0.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 87.190 -16.459 -1.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 88.177 -17.830 -1.506 1.00 0.00 H new ATOM 734 N THR A 46 92.386 -17.163 4.154 1.00 0.00 N ATOM 735 CA THR A 46 92.854 -18.501 4.615 1.00 0.00 C ATOM 736 C THR A 46 91.648 -19.423 4.795 1.00 0.00 C ATOM 737 O THR A 46 90.696 -19.082 5.471 1.00 0.00 O ATOM 738 CB THR A 46 93.587 -18.352 5.951 1.00 0.00 C ATOM 739 OG1 THR A 46 94.338 -17.147 5.945 1.00 0.00 O ATOM 740 CG2 THR A 46 94.527 -19.541 6.154 1.00 0.00 C ATOM 0 H THR A 46 91.738 -16.691 4.784 1.00 0.00 H new ATOM 0 HA THR A 46 93.532 -18.927 3.875 1.00 0.00 H new ATOM 0 HB THR A 46 92.861 -18.323 6.763 1.00 0.00 H new ATOM 0 HG1 THR A 46 94.806 -17.049 6.800 1.00 0.00 H new ATOM 0 HG21 THR A 46 95.048 -19.434 7.105 1.00 0.00 H new ATOM 0 HG22 THR A 46 93.949 -20.465 6.159 1.00 0.00 H new ATOM 0 HG23 THR A 46 95.255 -19.572 5.343 1.00 0.00 H new ATOM 748 N VAL A 47 91.672 -20.586 4.198 1.00 0.00 N ATOM 749 CA VAL A 47 90.520 -21.515 4.340 1.00 0.00 C ATOM 750 C VAL A 47 91.035 -22.918 4.636 1.00 0.00 C ATOM 751 O VAL A 47 92.206 -23.195 4.523 1.00 0.00 O ATOM 752 CB VAL A 47 89.723 -21.552 3.044 1.00 0.00 C ATOM 753 CG1 VAL A 47 88.257 -21.868 3.350 1.00 0.00 C ATOM 754 CG2 VAL A 47 89.817 -20.197 2.337 1.00 0.00 C ATOM 0 H VAL A 47 92.439 -20.929 3.620 1.00 0.00 H new ATOM 0 HA VAL A 47 89.883 -21.169 5.154 1.00 0.00 H new ATOM 0 HB VAL A 47 90.133 -22.326 2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 47 87.689 -21.894 2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 47 88.189 -22.837 3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 47 87.848 -21.098 4.004 1.00 0.00 H new ATOM 0 HG21 VAL A 47 89.245 -20.230 1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 47 89.413 -19.419 2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 47 90.860 -19.976 2.112 1.00 0.00 H new ATOM 764 N GLN A 48 90.157 -23.801 5.008 1.00 0.00 N ATOM 765 CA GLN A 48 90.572 -25.200 5.314 1.00 0.00 C ATOM 766 C GLN A 48 90.139 -26.122 4.170 1.00 0.00 C ATOM 767 O GLN A 48 88.966 -26.300 3.912 1.00 0.00 O ATOM 768 CB GLN A 48 89.905 -25.654 6.613 1.00 0.00 C ATOM 769 CG GLN A 48 90.446 -27.028 7.012 1.00 0.00 C ATOM 770 CD GLN A 48 89.669 -27.551 8.222 1.00 0.00 C ATOM 771 OE1 GLN A 48 89.618 -26.906 9.251 1.00 0.00 O ATOM 772 NE2 GLN A 48 89.057 -28.700 8.142 1.00 0.00 N ATOM 0 H GLN A 48 89.160 -23.615 5.115 1.00 0.00 H new ATOM 0 HA GLN A 48 91.655 -25.243 5.425 1.00 0.00 H new ATOM 0 HB2 GLN A 48 90.099 -24.931 7.405 1.00 0.00 H new ATOM 0 HB3 GLN A 48 88.824 -25.701 6.482 1.00 0.00 H new ATOM 0 HG2 GLN A 48 90.352 -27.724 6.178 1.00 0.00 H new ATOM 0 HG3 GLN A 48 91.507 -26.957 7.251 1.00 0.00 H new ATOM 0 HE21 GLN A 48 89.100 -29.241 7.279 1.00 0.00 H new ATOM 0 HE22 GLN A 48 88.536 -29.057 8.943 1.00 0.00 H new ATOM 781 N LEU A 49 91.081 -26.710 3.483 1.00 0.00 N ATOM 782 CA LEU A 49 90.725 -27.621 2.358 1.00 0.00 C ATOM 783 C LEU A 49 90.761 -29.071 2.846 1.00 0.00 C ATOM 784 O LEU A 49 91.229 -29.357 3.931 1.00 0.00 O ATOM 785 CB LEU A 49 91.730 -27.446 1.218 1.00 0.00 C ATOM 786 CG LEU A 49 91.691 -26.002 0.714 1.00 0.00 C ATOM 787 CD1 LEU A 49 92.694 -25.836 -0.430 1.00 0.00 C ATOM 788 CD2 LEU A 49 90.284 -25.675 0.208 1.00 0.00 C ATOM 0 H LEU A 49 92.081 -26.599 3.652 1.00 0.00 H new ATOM 0 HA LEU A 49 89.724 -27.379 2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 49 92.734 -27.694 1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 49 91.495 -28.132 0.404 1.00 0.00 H new ATOM 0 HG LEU A 49 91.950 -25.326 1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 49 92.668 -24.808 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 49 93.697 -26.069 -0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 49 92.433 -26.513 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 49 90.256 -24.646 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 49 90.024 -26.351 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 49 89.568 -25.795 1.021 1.00 0.00 H new ATOM 800 N ARG A 50 90.272 -29.989 2.053 1.00 0.00 N ATOM 801 CA ARG A 50 90.282 -31.421 2.474 1.00 0.00 C ATOM 802 C ARG A 50 91.584 -31.722 3.217 1.00 0.00 C ATOM 803 O ARG A 50 92.604 -31.109 2.972 1.00 0.00 O ATOM 804 CB ARG A 50 90.179 -32.319 1.238 1.00 0.00 C ATOM 805 CG ARG A 50 91.096 -31.786 0.129 1.00 0.00 C ATOM 806 CD ARG A 50 90.248 -31.214 -1.010 1.00 0.00 C ATOM 807 NE ARG A 50 89.558 -32.329 -1.721 1.00 0.00 N ATOM 808 CZ ARG A 50 88.445 -32.104 -2.363 1.00 0.00 C ATOM 809 NH1 ARG A 50 87.841 -33.080 -2.983 1.00 0.00 N ATOM 810 NH2 ARG A 50 87.933 -30.903 -2.383 1.00 0.00 N ATOM 0 H ARG A 50 89.867 -29.809 1.134 1.00 0.00 H new ATOM 0 HA ARG A 50 89.434 -31.613 3.132 1.00 0.00 H new ATOM 0 HB2 ARG A 50 90.460 -33.340 1.495 1.00 0.00 H new ATOM 0 HB3 ARG A 50 89.148 -32.351 0.886 1.00 0.00 H new ATOM 0 HG2 ARG A 50 91.755 -31.015 0.528 1.00 0.00 H new ATOM 0 HG3 ARG A 50 91.733 -32.587 -0.246 1.00 0.00 H new ATOM 0 HD2 ARG A 50 89.515 -30.511 -0.615 1.00 0.00 H new ATOM 0 HD3 ARG A 50 90.879 -30.660 -1.705 1.00 0.00 H new ATOM 0 HE ARG A 50 89.957 -33.268 -1.705 1.00 0.00 H new ATOM 0 HH11 ARG A 50 88.239 -34.019 -2.966 1.00 0.00 H new ATOM 0 HH12 ARG A 50 86.971 -32.904 -3.485 1.00 0.00 H new ATOM 0 HH21 ARG A 50 88.403 -30.140 -1.896 1.00 0.00 H new ATOM 0 HH22 ARG A 50 87.063 -30.728 -2.885 1.00 0.00 H new ATOM 824 N ASN A 51 91.559 -32.659 4.124 1.00 0.00 N ATOM 825 CA ASN A 51 92.798 -32.989 4.884 1.00 0.00 C ATOM 826 C ASN A 51 93.157 -31.813 5.794 1.00 0.00 C ATOM 827 O ASN A 51 93.698 -31.986 6.868 1.00 0.00 O ATOM 828 CB ASN A 51 93.946 -33.251 3.905 1.00 0.00 C ATOM 829 CG ASN A 51 94.967 -34.186 4.554 1.00 0.00 C ATOM 830 OD1 ASN A 51 94.603 -35.141 5.212 1.00 0.00 O ATOM 831 ND2 ASN A 51 96.241 -33.952 4.396 1.00 0.00 N ATOM 0 H ASN A 51 90.737 -33.209 4.372 1.00 0.00 H new ATOM 0 HA ASN A 51 92.631 -33.881 5.488 1.00 0.00 H new ATOM 0 HB2 ASN A 51 93.561 -33.696 2.988 1.00 0.00 H new ATOM 0 HB3 ASN A 51 94.423 -32.311 3.627 1.00 0.00 H new ATOM 0 HD21 ASN A 51 96.930 -34.570 4.824 1.00 0.00 H new ATOM 0 HD22 ASN A 51 96.548 -33.151 3.844 1.00 0.00 H new ATOM 838 N GLY A 52 92.857 -30.615 5.371 1.00 0.00 N ATOM 839 CA GLY A 52 93.173 -29.425 6.209 1.00 0.00 C ATOM 840 C GLY A 52 94.514 -28.828 5.775 1.00 0.00 C ATOM 841 O GLY A 52 95.407 -28.644 6.577 1.00 0.00 O ATOM 0 H GLY A 52 92.406 -30.410 4.480 1.00 0.00 H new ATOM 0 HA2 GLY A 52 92.384 -28.680 6.111 1.00 0.00 H new ATOM 0 HA3 GLY A 52 93.214 -29.709 7.260 1.00 0.00 H new ATOM 845 N ASN A 53 94.661 -28.517 4.516 1.00 0.00 N ATOM 846 CA ASN A 53 95.947 -27.929 4.049 1.00 0.00 C ATOM 847 C ASN A 53 95.891 -26.416 4.204 1.00 0.00 C ATOM 848 O ASN A 53 96.779 -25.695 3.794 1.00 0.00 O ATOM 849 CB ASN A 53 96.184 -28.294 2.582 1.00 0.00 C ATOM 850 CG ASN A 53 97.516 -27.703 2.115 1.00 0.00 C ATOM 851 OD1 ASN A 53 98.566 -28.252 2.384 1.00 0.00 O ATOM 852 ND2 ASN A 53 97.517 -26.597 1.424 1.00 0.00 N ATOM 0 H ASN A 53 93.951 -28.644 3.795 1.00 0.00 H new ATOM 0 HA ASN A 53 96.767 -28.326 4.647 1.00 0.00 H new ATOM 0 HB2 ASN A 53 96.194 -29.377 2.463 1.00 0.00 H new ATOM 0 HB3 ASN A 53 95.370 -27.913 1.966 1.00 0.00 H new ATOM 0 HD21 ASN A 53 98.399 -26.193 1.109 1.00 0.00 H new ATOM 0 HD22 ASN A 53 96.636 -26.136 1.198 1.00 0.00 H new ATOM 859 N LEU A 54 94.847 -25.944 4.803 1.00 0.00 N ATOM 860 CA LEU A 54 94.681 -24.485 5.017 1.00 0.00 C ATOM 861 C LEU A 54 95.189 -23.727 3.797 1.00 0.00 C ATOM 862 O LEU A 54 96.364 -23.443 3.667 1.00 0.00 O ATOM 863 CB LEU A 54 95.458 -24.053 6.262 1.00 0.00 C ATOM 864 CG LEU A 54 94.576 -24.240 7.502 1.00 0.00 C ATOM 865 CD1 LEU A 54 95.369 -23.862 8.754 1.00 0.00 C ATOM 866 CD2 LEU A 54 93.333 -23.347 7.397 1.00 0.00 C ATOM 0 H LEU A 54 94.083 -26.517 5.162 1.00 0.00 H new ATOM 0 HA LEU A 54 93.624 -24.260 5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 54 96.370 -24.643 6.358 1.00 0.00 H new ATOM 0 HB3 LEU A 54 95.761 -23.010 6.171 1.00 0.00 H new ATOM 0 HG LEU A 54 94.265 -25.283 7.566 1.00 0.00 H new ATOM 0 HD11 LEU A 54 94.742 -23.995 9.636 1.00 0.00 H new ATOM 0 HD12 LEU A 54 96.248 -24.501 8.834 1.00 0.00 H new ATOM 0 HD13 LEU A 54 95.683 -22.820 8.685 1.00 0.00 H new ATOM 0 HD21 LEU A 54 92.710 -23.485 8.281 1.00 0.00 H new ATOM 0 HD22 LEU A 54 93.640 -22.303 7.328 1.00 0.00 H new ATOM 0 HD23 LEU A 54 92.765 -23.618 6.507 1.00 0.00 H new ATOM 878 N GLN A 55 94.308 -23.395 2.897 1.00 0.00 N ATOM 879 CA GLN A 55 94.735 -22.651 1.677 1.00 0.00 C ATOM 880 C GLN A 55 95.132 -21.228 2.073 1.00 0.00 C ATOM 881 O GLN A 55 94.607 -20.672 3.018 1.00 0.00 O ATOM 882 CB GLN A 55 93.584 -22.607 0.667 1.00 0.00 C ATOM 883 CG GLN A 55 92.569 -21.544 1.088 1.00 0.00 C ATOM 884 CD GLN A 55 91.297 -21.692 0.251 1.00 0.00 C ATOM 885 OE1 GLN A 55 90.702 -22.750 0.213 1.00 0.00 O ATOM 886 NE2 GLN A 55 90.853 -20.668 -0.426 1.00 0.00 N ATOM 0 H GLN A 55 93.311 -23.605 2.951 1.00 0.00 H new ATOM 0 HA GLN A 55 95.587 -23.155 1.220 1.00 0.00 H new ATOM 0 HB2 GLN A 55 93.969 -22.382 -0.328 1.00 0.00 H new ATOM 0 HB3 GLN A 55 93.101 -23.582 0.609 1.00 0.00 H new ATOM 0 HG2 GLN A 55 92.334 -21.650 2.147 1.00 0.00 H new ATOM 0 HG3 GLN A 55 92.992 -20.549 0.953 1.00 0.00 H new ATOM 0 HE21 GLN A 55 91.353 -19.780 -0.394 1.00 0.00 H new ATOM 0 HE22 GLN A 55 90.006 -20.756 -0.987 1.00 0.00 H new ATOM 895 N TYR A 56 96.060 -20.640 1.366 1.00 0.00 N ATOM 896 CA TYR A 56 96.499 -19.257 1.708 1.00 0.00 C ATOM 897 C TYR A 56 96.478 -18.376 0.456 1.00 0.00 C ATOM 898 O TYR A 56 97.232 -18.583 -0.474 1.00 0.00 O ATOM 899 CB TYR A 56 97.924 -19.302 2.264 1.00 0.00 C ATOM 900 CG TYR A 56 97.888 -19.683 3.725 1.00 0.00 C ATOM 901 CD1 TYR A 56 97.901 -21.031 4.098 1.00 0.00 C ATOM 902 CD2 TYR A 56 97.841 -18.685 4.705 1.00 0.00 C ATOM 903 CE1 TYR A 56 97.869 -21.382 5.453 1.00 0.00 C ATOM 904 CE2 TYR A 56 97.809 -19.036 6.060 1.00 0.00 C ATOM 905 CZ TYR A 56 97.823 -20.386 6.434 1.00 0.00 C ATOM 906 OH TYR A 56 97.792 -20.732 7.770 1.00 0.00 O ATOM 0 H TYR A 56 96.533 -21.059 0.565 1.00 0.00 H new ATOM 0 HA TYR A 56 95.820 -18.841 2.453 1.00 0.00 H new ATOM 0 HB2 TYR A 56 98.520 -20.023 1.705 1.00 0.00 H new ATOM 0 HB3 TYR A 56 98.403 -18.330 2.143 1.00 0.00 H new ATOM 0 HD1 TYR A 56 97.936 -21.801 3.341 1.00 0.00 H new ATOM 0 HD2 TYR A 56 97.829 -17.644 4.416 1.00 0.00 H new ATOM 0 HE1 TYR A 56 97.880 -22.423 5.741 1.00 0.00 H new ATOM 0 HE2 TYR A 56 97.774 -18.266 6.817 1.00 0.00 H new ATOM 0 HH TYR A 56 98.573 -20.353 8.224 1.00 0.00 H new ATOM 916 N ASP A 57 95.630 -17.386 0.436 1.00 0.00 N ATOM 917 CA ASP A 57 95.564 -16.470 -0.740 1.00 0.00 C ATOM 918 C ASP A 57 95.767 -15.038 -0.244 1.00 0.00 C ATOM 919 O ASP A 57 95.517 -14.739 0.906 1.00 0.00 O ATOM 920 CB ASP A 57 94.197 -16.597 -1.421 1.00 0.00 C ATOM 921 CG ASP A 57 93.526 -17.902 -0.986 1.00 0.00 C ATOM 922 OD1 ASP A 57 94.210 -18.911 -0.947 1.00 0.00 O ATOM 923 OD2 ASP A 57 92.341 -17.868 -0.701 1.00 0.00 O ATOM 0 H ASP A 57 94.975 -17.170 1.188 1.00 0.00 H new ATOM 0 HA ASP A 57 96.338 -16.729 -1.463 1.00 0.00 H new ATOM 0 HB2 ASP A 57 93.568 -15.747 -1.157 1.00 0.00 H new ATOM 0 HB3 ASP A 57 94.316 -16.581 -2.504 1.00 0.00 H new ATOM 928 N LEU A 58 96.229 -14.150 -1.080 1.00 0.00 N ATOM 929 CA LEU A 58 96.444 -12.754 -0.605 1.00 0.00 C ATOM 930 C LEU A 58 96.286 -11.761 -1.756 1.00 0.00 C ATOM 931 O LEU A 58 96.559 -12.064 -2.901 1.00 0.00 O ATOM 932 CB LEU A 58 97.851 -12.631 -0.015 1.00 0.00 C ATOM 933 CG LEU A 58 98.886 -12.604 -1.147 1.00 0.00 C ATOM 934 CD1 LEU A 58 99.280 -11.157 -1.453 1.00 0.00 C ATOM 935 CD2 LEU A 58 100.131 -13.387 -0.720 1.00 0.00 C ATOM 0 H LEU A 58 96.464 -14.326 -2.057 1.00 0.00 H new ATOM 0 HA LEU A 58 95.699 -12.525 0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 58 97.927 -11.722 0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 58 98.050 -13.469 0.653 1.00 0.00 H new ATOM 0 HG LEU A 58 98.454 -13.059 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 58 100.015 -11.142 -2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 58 98.397 -10.596 -1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 58 99.709 -10.700 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.866 -13.368 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 58 100.558 -12.932 0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 58 99.855 -14.419 -0.505 1.00 0.00 H new ATOM 947 N HIS A 59 95.853 -10.570 -1.444 1.00 0.00 N ATOM 948 CA HIS A 59 95.678 -9.529 -2.493 1.00 0.00 C ATOM 949 C HIS A 59 96.423 -8.264 -2.065 1.00 0.00 C ATOM 950 O HIS A 59 96.328 -7.830 -0.931 1.00 0.00 O ATOM 951 CB HIS A 59 94.189 -9.217 -2.660 1.00 0.00 C ATOM 952 CG HIS A 59 93.418 -10.502 -2.782 1.00 0.00 C ATOM 953 ND1 HIS A 59 92.952 -10.973 -4.000 1.00 0.00 N ATOM 954 CD2 HIS A 59 93.023 -11.426 -1.846 1.00 0.00 C ATOM 955 CE1 HIS A 59 92.309 -12.134 -3.768 1.00 0.00 C ATOM 956 NE2 HIS A 59 92.325 -12.452 -2.472 1.00 0.00 N ATOM 0 H HIS A 59 95.611 -10.272 -0.499 1.00 0.00 H new ATOM 0 HA HIS A 59 96.077 -9.888 -3.442 1.00 0.00 H new ATOM 0 HB2 HIS A 59 93.829 -8.644 -1.806 1.00 0.00 H new ATOM 0 HB3 HIS A 59 94.033 -8.601 -3.546 1.00 0.00 H new ATOM 0 HD2 HIS A 59 93.224 -11.365 -0.787 1.00 0.00 H new ATOM 0 HE1 HIS A 59 91.839 -12.732 -4.535 1.00 0.00 H new ATOM 0 HE2 HIS A 59 91.912 -13.275 -2.033 1.00 0.00 H new ATOM 964 N TYR A 60 97.170 -7.674 -2.959 1.00 0.00 N ATOM 965 CA TYR A 60 97.930 -6.441 -2.607 1.00 0.00 C ATOM 966 C TYR A 60 97.289 -5.238 -3.304 1.00 0.00 C ATOM 967 O TYR A 60 97.262 -5.154 -4.516 1.00 0.00 O ATOM 968 CB TYR A 60 99.383 -6.605 -3.066 1.00 0.00 C ATOM 969 CG TYR A 60 100.066 -5.260 -3.157 1.00 0.00 C ATOM 970 CD1 TYR A 60 99.708 -4.221 -2.287 1.00 0.00 C ATOM 971 CD2 TYR A 60 101.067 -5.055 -4.114 1.00 0.00 C ATOM 972 CE1 TYR A 60 100.352 -2.981 -2.375 1.00 0.00 C ATOM 973 CE2 TYR A 60 101.710 -3.816 -4.203 1.00 0.00 C ATOM 974 CZ TYR A 60 101.353 -2.778 -3.334 1.00 0.00 C ATOM 975 OH TYR A 60 101.988 -1.556 -3.422 1.00 0.00 O ATOM 0 H TYR A 60 97.287 -7.994 -3.920 1.00 0.00 H new ATOM 0 HA TYR A 60 97.909 -6.280 -1.529 1.00 0.00 H new ATOM 0 HB2 TYR A 60 99.921 -7.246 -2.367 1.00 0.00 H new ATOM 0 HB3 TYR A 60 99.410 -7.099 -4.037 1.00 0.00 H new ATOM 0 HD1 TYR A 60 98.935 -4.377 -1.549 1.00 0.00 H new ATOM 0 HD2 TYR A 60 101.343 -5.855 -4.785 1.00 0.00 H new ATOM 0 HE1 TYR A 60 100.077 -2.181 -1.704 1.00 0.00 H new ATOM 0 HE2 TYR A 60 102.482 -3.660 -4.942 1.00 0.00 H new ATOM 0 HH TYR A 60 102.946 -1.695 -3.575 1.00 0.00 H new ATOM 985 N TRP A 61 96.763 -4.311 -2.548 1.00 0.00 N ATOM 986 CA TRP A 61 96.112 -3.119 -3.164 1.00 0.00 C ATOM 987 C TRP A 61 96.970 -1.874 -2.928 1.00 0.00 C ATOM 988 O TRP A 61 97.428 -1.624 -1.830 1.00 0.00 O ATOM 989 CB TRP A 61 94.734 -2.913 -2.531 1.00 0.00 C ATOM 990 CG TRP A 61 93.928 -1.977 -3.372 1.00 0.00 C ATOM 991 CD1 TRP A 61 92.936 -2.347 -4.216 1.00 0.00 C ATOM 992 CD2 TRP A 61 94.023 -0.525 -3.465 1.00 0.00 C ATOM 993 NE1 TRP A 61 92.418 -1.216 -4.821 1.00 0.00 N ATOM 994 CE2 TRP A 61 93.054 -0.068 -4.391 1.00 0.00 C ATOM 995 CE3 TRP A 61 94.847 0.430 -2.843 1.00 0.00 C ATOM 996 CZ2 TRP A 61 92.909 1.287 -4.688 1.00 0.00 C ATOM 997 CZ3 TRP A 61 94.703 1.797 -3.141 1.00 0.00 C ATOM 998 CH2 TRP A 61 93.735 2.222 -4.061 1.00 0.00 C ATOM 0 H TRP A 61 96.756 -4.328 -1.528 1.00 0.00 H new ATOM 0 HA TRP A 61 96.006 -3.282 -4.237 1.00 0.00 H new ATOM 0 HB2 TRP A 61 94.219 -3.869 -2.439 1.00 0.00 H new ATOM 0 HB3 TRP A 61 94.842 -2.511 -1.524 1.00 0.00 H new ATOM 0 HD1 TRP A 61 92.603 -3.360 -4.389 1.00 0.00 H new ATOM 0 HE1 TRP A 61 91.659 -1.228 -5.502 1.00 0.00 H new ATOM 0 HE3 TRP A 61 95.595 0.112 -2.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 92.163 1.611 -5.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 95.341 2.522 -2.659 1.00 0.00 H new ATOM 0 HH2 TRP A 61 93.628 3.273 -4.285 1.00 0.00 H new ATOM 1009 N LEU A 62 97.185 -1.089 -3.950 1.00 0.00 N ATOM 1010 CA LEU A 62 98.007 0.145 -3.790 1.00 0.00 C ATOM 1011 C LEU A 62 97.226 1.346 -4.328 1.00 0.00 C ATOM 1012 O LEU A 62 96.275 1.198 -5.070 1.00 0.00 O ATOM 1013 CB LEU A 62 99.317 0.000 -4.565 1.00 0.00 C ATOM 1014 CG LEU A 62 99.059 -0.738 -5.883 1.00 0.00 C ATOM 1015 CD1 LEU A 62 100.064 -0.269 -6.936 1.00 0.00 C ATOM 1016 CD2 LEU A 62 99.219 -2.247 -5.663 1.00 0.00 C ATOM 0 H LEU A 62 96.826 -1.250 -4.891 1.00 0.00 H new ATOM 0 HA LEU A 62 98.231 0.295 -2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 62 99.743 0.983 -4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 62 100.046 -0.548 -3.967 1.00 0.00 H new ATOM 0 HG LEU A 62 98.047 -0.525 -6.226 1.00 0.00 H new ATOM 0 HD11 LEU A 62 99.880 -0.794 -7.873 1.00 0.00 H new ATOM 0 HD12 LEU A 62 99.952 0.804 -7.093 1.00 0.00 H new ATOM 0 HD13 LEU A 62 101.076 -0.482 -6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 62 99.036 -2.773 -6.600 1.00 0.00 H new ATOM 0 HD22 LEU A 62 100.232 -2.459 -5.320 1.00 0.00 H new ATOM 0 HD23 LEU A 62 98.504 -2.583 -4.912 1.00 0.00 H new ATOM 1028 N GLY A 63 97.616 2.535 -3.959 1.00 0.00 N ATOM 1029 CA GLY A 63 96.890 3.742 -4.449 1.00 0.00 C ATOM 1030 C GLY A 63 97.570 4.282 -5.708 1.00 0.00 C ATOM 1031 O GLY A 63 98.750 4.093 -5.921 1.00 0.00 O ATOM 0 H GLY A 63 98.405 2.723 -3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 63 95.852 3.490 -4.665 1.00 0.00 H new ATOM 0 HA3 GLY A 63 96.877 4.509 -3.675 1.00 0.00 H new ATOM 1035 N ASN A 64 96.830 4.958 -6.546 1.00 0.00 N ATOM 1036 CA ASN A 64 97.426 5.515 -7.792 1.00 0.00 C ATOM 1037 C ASN A 64 98.122 6.838 -7.478 1.00 0.00 C ATOM 1038 O ASN A 64 98.866 7.366 -8.281 1.00 0.00 O ATOM 1039 CB ASN A 64 96.322 5.747 -8.828 1.00 0.00 C ATOM 1040 CG ASN A 64 96.857 6.631 -9.957 1.00 0.00 C ATOM 1041 OD1 ASN A 64 96.224 7.594 -10.342 1.00 0.00 O ATOM 1042 ND2 ASN A 64 98.003 6.341 -10.509 1.00 0.00 N ATOM 0 H ASN A 64 95.836 5.148 -6.420 1.00 0.00 H new ATOM 0 HA ASN A 64 98.155 4.810 -8.193 1.00 0.00 H new ATOM 0 HB2 ASN A 64 95.980 4.793 -9.230 1.00 0.00 H new ATOM 0 HB3 ASN A 64 95.461 6.222 -8.357 1.00 0.00 H new ATOM 0 HD21 ASN A 64 98.367 6.923 -11.264 1.00 0.00 H new ATOM 0 HD22 ASN A 64 98.535 5.533 -10.186 1.00 0.00 H new ATOM 1049 N GLU A 65 97.896 7.372 -6.310 1.00 0.00 N ATOM 1050 CA GLU A 65 98.548 8.650 -5.932 1.00 0.00 C ATOM 1051 C GLU A 65 99.610 8.336 -4.888 1.00 0.00 C ATOM 1052 O GLU A 65 99.850 9.096 -3.971 1.00 0.00 O ATOM 1053 CB GLU A 65 97.507 9.611 -5.348 1.00 0.00 C ATOM 1054 CG GLU A 65 96.109 9.157 -5.765 1.00 0.00 C ATOM 1055 CD GLU A 65 95.093 10.246 -5.421 1.00 0.00 C ATOM 1056 OE1 GLU A 65 95.068 10.667 -4.275 1.00 0.00 O ATOM 1057 OE2 GLU A 65 94.355 10.644 -6.308 1.00 0.00 O ATOM 0 H GLU A 65 97.283 6.973 -5.599 1.00 0.00 H new ATOM 0 HA GLU A 65 99.000 9.123 -6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 65 97.585 9.633 -4.261 1.00 0.00 H new ATOM 0 HB3 GLU A 65 97.693 10.625 -5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 65 96.087 8.950 -6.835 1.00 0.00 H new ATOM 0 HG3 GLU A 65 95.850 8.229 -5.255 1.00 0.00 H new ATOM 1064 N CYS A 66 100.239 7.204 -5.026 1.00 0.00 N ATOM 1065 CA CYS A 66 101.279 6.804 -4.064 1.00 0.00 C ATOM 1066 C CYS A 66 102.522 6.383 -4.830 1.00 0.00 C ATOM 1067 O CYS A 66 102.643 5.277 -5.321 1.00 0.00 O ATOM 1068 CB CYS A 66 100.758 5.655 -3.213 1.00 0.00 C ATOM 1069 SG CYS A 66 100.712 4.130 -4.188 1.00 0.00 S ATOM 0 H CYS A 66 100.068 6.536 -5.777 1.00 0.00 H new ATOM 0 HA CYS A 66 101.532 7.637 -3.408 1.00 0.00 H new ATOM 0 HB2 CYS A 66 101.397 5.519 -2.341 1.00 0.00 H new ATOM 0 HB3 CYS A 66 99.760 5.890 -2.843 1.00 0.00 H new ATOM 0 HG CYS A 66 99.799 4.231 -5.108 1.00 0.00 H new ATOM 1075 N SER A 67 103.434 7.281 -4.933 1.00 0.00 N ATOM 1076 CA SER A 67 104.703 7.010 -5.666 1.00 0.00 C ATOM 1077 C SER A 67 105.150 5.566 -5.425 1.00 0.00 C ATOM 1078 O SER A 67 104.749 4.933 -4.468 1.00 0.00 O ATOM 1079 CB SER A 67 105.789 7.967 -5.171 1.00 0.00 C ATOM 1080 OG SER A 67 105.313 9.304 -5.262 1.00 0.00 O ATOM 0 H SER A 67 103.364 8.218 -4.535 1.00 0.00 H new ATOM 0 HA SER A 67 104.538 7.159 -6.733 1.00 0.00 H new ATOM 0 HB2 SER A 67 106.054 7.732 -4.140 1.00 0.00 H new ATOM 0 HB3 SER A 67 106.693 7.849 -5.768 1.00 0.00 H new ATOM 0 HG SER A 67 106.006 9.920 -4.944 1.00 0.00 H new ATOM 1086 N GLN A 68 105.977 5.043 -6.288 1.00 0.00 N ATOM 1087 CA GLN A 68 106.453 3.642 -6.116 1.00 0.00 C ATOM 1088 C GLN A 68 107.013 3.458 -4.703 1.00 0.00 C ATOM 1089 O GLN A 68 107.160 2.351 -4.226 1.00 0.00 O ATOM 1090 CB GLN A 68 107.550 3.347 -7.141 1.00 0.00 C ATOM 1091 CG GLN A 68 106.913 3.034 -8.497 1.00 0.00 C ATOM 1092 CD GLN A 68 108.004 2.659 -9.500 1.00 0.00 C ATOM 1093 OE1 GLN A 68 108.439 3.484 -10.279 1.00 0.00 O ATOM 1094 NE2 GLN A 68 108.466 1.439 -9.516 1.00 0.00 N ATOM 0 H GLN A 68 106.344 5.527 -7.107 1.00 0.00 H new ATOM 0 HA GLN A 68 105.619 2.956 -6.266 1.00 0.00 H new ATOM 0 HB2 GLN A 68 108.218 4.203 -7.231 1.00 0.00 H new ATOM 0 HB3 GLN A 68 108.155 2.504 -6.809 1.00 0.00 H new ATOM 0 HG2 GLN A 68 106.201 2.215 -8.396 1.00 0.00 H new ATOM 0 HG3 GLN A 68 106.355 3.899 -8.857 1.00 0.00 H new ATOM 0 HE21 GLN A 68 108.101 0.747 -8.862 1.00 0.00 H new ATOM 0 HE22 GLN A 68 109.193 1.177 -10.182 1.00 0.00 H new ATOM 1103 N ASP A 69 107.325 4.532 -4.032 1.00 0.00 N ATOM 1104 CA ASP A 69 107.873 4.410 -2.651 1.00 0.00 C ATOM 1105 C ASP A 69 106.832 3.751 -1.749 1.00 0.00 C ATOM 1106 O ASP A 69 107.069 2.715 -1.161 1.00 0.00 O ATOM 1107 CB ASP A 69 108.215 5.800 -2.112 1.00 0.00 C ATOM 1108 CG ASP A 69 109.013 6.574 -3.163 1.00 0.00 C ATOM 1109 OD1 ASP A 69 109.877 5.974 -3.783 1.00 0.00 O ATOM 1110 OD2 ASP A 69 108.747 7.752 -3.329 1.00 0.00 O ATOM 0 H ASP A 69 107.225 5.486 -4.378 1.00 0.00 H new ATOM 0 HA ASP A 69 108.775 3.799 -2.669 1.00 0.00 H new ATOM 0 HB2 ASP A 69 107.301 6.340 -1.864 1.00 0.00 H new ATOM 0 HB3 ASP A 69 108.794 5.713 -1.192 1.00 0.00 H new ATOM 1115 N GLU A 70 105.678 4.343 -1.640 1.00 0.00 N ATOM 1116 CA GLU A 70 104.615 3.749 -0.779 1.00 0.00 C ATOM 1117 C GLU A 70 104.213 2.392 -1.356 1.00 0.00 C ATOM 1118 O GLU A 70 104.161 1.397 -0.658 1.00 0.00 O ATOM 1119 CB GLU A 70 103.399 4.683 -0.750 1.00 0.00 C ATOM 1120 CG GLU A 70 103.312 5.376 0.613 1.00 0.00 C ATOM 1121 CD GLU A 70 104.564 6.227 0.835 1.00 0.00 C ATOM 1122 OE1 GLU A 70 105.577 5.667 1.220 1.00 0.00 O ATOM 1123 OE2 GLU A 70 104.489 7.424 0.616 1.00 0.00 O ATOM 0 H GLU A 70 105.423 5.212 -2.109 1.00 0.00 H new ATOM 0 HA GLU A 70 104.988 3.619 0.237 1.00 0.00 H new ATOM 0 HB2 GLU A 70 103.481 5.427 -1.542 1.00 0.00 H new ATOM 0 HB3 GLU A 70 102.488 4.115 -0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 70 102.421 6.002 0.658 1.00 0.00 H new ATOM 0 HG3 GLU A 70 103.219 4.633 1.405 1.00 0.00 H new ATOM 1130 N SER A 71 103.940 2.341 -2.628 1.00 0.00 N ATOM 1131 CA SER A 71 103.551 1.050 -3.258 1.00 0.00 C ATOM 1132 C SER A 71 104.747 0.097 -3.217 1.00 0.00 C ATOM 1133 O SER A 71 104.599 -1.107 -3.277 1.00 0.00 O ATOM 1134 CB SER A 71 103.135 1.293 -4.711 1.00 0.00 C ATOM 1135 OG SER A 71 103.681 2.530 -5.153 1.00 0.00 O ATOM 0 H SER A 71 103.969 3.140 -3.261 1.00 0.00 H new ATOM 0 HA SER A 71 102.713 0.612 -2.716 1.00 0.00 H new ATOM 0 HB2 SER A 71 103.488 0.479 -5.344 1.00 0.00 H new ATOM 0 HB3 SER A 71 102.048 1.312 -4.792 1.00 0.00 H new ATOM 0 HG SER A 71 103.023 3.244 -5.020 1.00 0.00 H new ATOM 1141 N GLY A 72 105.935 0.630 -3.107 1.00 0.00 N ATOM 1142 CA GLY A 72 107.141 -0.243 -3.054 1.00 0.00 C ATOM 1143 C GLY A 72 107.204 -0.935 -1.693 1.00 0.00 C ATOM 1144 O GLY A 72 107.473 -2.115 -1.596 1.00 0.00 O ATOM 0 H GLY A 72 106.121 1.631 -3.052 1.00 0.00 H new ATOM 0 HA2 GLY A 72 107.102 -0.986 -3.851 1.00 0.00 H new ATOM 0 HA3 GLY A 72 108.041 0.350 -3.215 1.00 0.00 H new ATOM 1148 N ALA A 73 106.955 -0.208 -0.636 1.00 0.00 N ATOM 1149 CA ALA A 73 106.995 -0.826 0.717 1.00 0.00 C ATOM 1150 C ALA A 73 105.899 -1.885 0.819 1.00 0.00 C ATOM 1151 O ALA A 73 106.119 -2.979 1.299 1.00 0.00 O ATOM 1152 CB ALA A 73 106.765 0.253 1.779 1.00 0.00 C ATOM 0 H ALA A 73 106.726 0.786 -0.653 1.00 0.00 H new ATOM 0 HA ALA A 73 107.968 -1.290 0.879 1.00 0.00 H new ATOM 0 HB1 ALA A 73 106.794 -0.200 2.770 1.00 0.00 H new ATOM 0 HB2 ALA A 73 107.545 1.011 1.703 1.00 0.00 H new ATOM 0 HB3 ALA A 73 105.792 0.717 1.621 1.00 0.00 H new ATOM 1158 N ALA A 74 104.721 -1.570 0.361 1.00 0.00 N ATOM 1159 CA ALA A 74 103.609 -2.558 0.422 1.00 0.00 C ATOM 1160 C ALA A 74 103.980 -3.780 -0.420 1.00 0.00 C ATOM 1161 O ALA A 74 103.786 -4.909 -0.014 1.00 0.00 O ATOM 1162 CB ALA A 74 102.331 -1.926 -0.130 1.00 0.00 C ATOM 0 H ALA A 74 104.480 -0.670 -0.054 1.00 0.00 H new ATOM 0 HA ALA A 74 103.442 -2.860 1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 74 101.518 -2.650 -0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 74 102.071 -1.051 0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 74 102.492 -1.625 -1.165 1.00 0.00 H new ATOM 1168 N ALA A 75 104.521 -3.564 -1.588 1.00 0.00 N ATOM 1169 CA ALA A 75 104.911 -4.712 -2.452 1.00 0.00 C ATOM 1170 C ALA A 75 105.910 -5.590 -1.695 1.00 0.00 C ATOM 1171 O ALA A 75 105.802 -6.800 -1.683 1.00 0.00 O ATOM 1172 CB ALA A 75 105.558 -4.191 -3.735 1.00 0.00 C ATOM 0 H ALA A 75 104.709 -2.642 -1.981 1.00 0.00 H new ATOM 0 HA ALA A 75 104.027 -5.296 -2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 75 105.843 -5.033 -4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 75 104.848 -3.560 -4.270 1.00 0.00 H new ATOM 0 HB3 ALA A 75 106.445 -3.609 -3.485 1.00 0.00 H new ATOM 1178 N ILE A 76 106.877 -4.988 -1.060 1.00 0.00 N ATOM 1179 CA ILE A 76 107.878 -5.786 -0.301 1.00 0.00 C ATOM 1180 C ILE A 76 107.146 -6.699 0.685 1.00 0.00 C ATOM 1181 O ILE A 76 107.381 -7.890 0.733 1.00 0.00 O ATOM 1182 CB ILE A 76 108.807 -4.843 0.467 1.00 0.00 C ATOM 1183 CG1 ILE A 76 109.769 -4.169 -0.513 1.00 0.00 C ATOM 1184 CG2 ILE A 76 109.607 -5.642 1.499 1.00 0.00 C ATOM 1185 CD1 ILE A 76 110.557 -3.077 0.213 1.00 0.00 C ATOM 0 H ILE A 76 107.017 -3.978 -1.034 1.00 0.00 H new ATOM 0 HA ILE A 76 108.468 -6.389 -0.991 1.00 0.00 H new ATOM 0 HB ILE A 76 108.214 -4.084 0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 76 110.452 -4.907 -0.933 1.00 0.00 H new ATOM 0 HG13 ILE A 76 109.213 -3.738 -1.346 1.00 0.00 H new ATOM 0 HG21 ILE A 76 110.269 -4.970 2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 76 108.922 -6.124 2.197 1.00 0.00 H new ATOM 0 HG23 ILE A 76 110.201 -6.401 0.990 1.00 0.00 H new ATOM 0 HD11 ILE A 76 111.242 -2.597 -0.486 1.00 0.00 H new ATOM 0 HD12 ILE A 76 109.866 -2.334 0.612 1.00 0.00 H new ATOM 0 HD13 ILE A 76 111.125 -3.521 1.031 1.00 0.00 H new ATOM 1197 N PHE A 77 106.256 -6.151 1.466 1.00 0.00 N ATOM 1198 CA PHE A 77 105.506 -6.990 2.442 1.00 0.00 C ATOM 1199 C PHE A 77 104.854 -8.159 1.701 1.00 0.00 C ATOM 1200 O PHE A 77 104.802 -9.267 2.193 1.00 0.00 O ATOM 1201 CB PHE A 77 104.424 -6.145 3.119 1.00 0.00 C ATOM 1202 CG PHE A 77 105.020 -5.410 4.295 1.00 0.00 C ATOM 1203 CD1 PHE A 77 104.419 -5.503 5.556 1.00 0.00 C ATOM 1204 CD2 PHE A 77 106.172 -4.632 4.124 1.00 0.00 C ATOM 1205 CE1 PHE A 77 104.970 -4.821 6.647 1.00 0.00 C ATOM 1206 CE2 PHE A 77 106.724 -3.949 5.216 1.00 0.00 C ATOM 1207 CZ PHE A 77 106.123 -4.045 6.476 1.00 0.00 C ATOM 0 H PHE A 77 106.016 -5.160 1.470 1.00 0.00 H new ATOM 0 HA PHE A 77 106.190 -7.372 3.200 1.00 0.00 H new ATOM 0 HB2 PHE A 77 104.005 -5.434 2.407 1.00 0.00 H new ATOM 0 HB3 PHE A 77 103.605 -6.783 3.452 1.00 0.00 H new ATOM 0 HD1 PHE A 77 103.530 -6.101 5.687 1.00 0.00 H new ATOM 0 HD2 PHE A 77 106.635 -4.559 3.151 1.00 0.00 H new ATOM 0 HE1 PHE A 77 104.506 -4.893 7.620 1.00 0.00 H new ATOM 0 HE2 PHE A 77 107.612 -3.349 5.085 1.00 0.00 H new ATOM 0 HZ PHE A 77 106.549 -3.520 7.318 1.00 0.00 H new ATOM 1217 N THR A 78 104.362 -7.917 0.517 1.00 0.00 N ATOM 1218 CA THR A 78 103.721 -9.013 -0.260 1.00 0.00 C ATOM 1219 C THR A 78 104.795 -10.012 -0.689 1.00 0.00 C ATOM 1220 O THR A 78 104.658 -11.208 -0.510 1.00 0.00 O ATOM 1221 CB THR A 78 103.040 -8.425 -1.497 1.00 0.00 C ATOM 1222 OG1 THR A 78 101.999 -7.548 -1.091 1.00 0.00 O ATOM 1223 CG2 THR A 78 102.456 -9.551 -2.350 1.00 0.00 C ATOM 0 H THR A 78 104.377 -7.008 0.055 1.00 0.00 H new ATOM 0 HA THR A 78 102.976 -9.519 0.354 1.00 0.00 H new ATOM 0 HB THR A 78 103.774 -7.873 -2.085 1.00 0.00 H new ATOM 0 HG1 THR A 78 101.993 -6.758 -1.670 1.00 0.00 H new ATOM 0 HG21 THR A 78 101.972 -9.127 -3.230 1.00 0.00 H new ATOM 0 HG22 THR A 78 103.256 -10.222 -2.664 1.00 0.00 H new ATOM 0 HG23 THR A 78 101.723 -10.108 -1.766 1.00 0.00 H new ATOM 1231 N VAL A 79 105.870 -9.529 -1.248 1.00 0.00 N ATOM 1232 CA VAL A 79 106.960 -10.444 -1.681 1.00 0.00 C ATOM 1233 C VAL A 79 107.440 -11.252 -0.476 1.00 0.00 C ATOM 1234 O VAL A 79 107.823 -12.400 -0.596 1.00 0.00 O ATOM 1235 CB VAL A 79 108.122 -9.625 -2.243 1.00 0.00 C ATOM 1236 CG1 VAL A 79 109.197 -10.569 -2.787 1.00 0.00 C ATOM 1237 CG2 VAL A 79 107.614 -8.728 -3.374 1.00 0.00 C ATOM 0 H VAL A 79 106.040 -8.539 -1.423 1.00 0.00 H new ATOM 0 HA VAL A 79 106.590 -11.119 -2.453 1.00 0.00 H new ATOM 0 HB VAL A 79 108.547 -9.008 -1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 79 110.025 -9.985 -3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 79 109.560 -11.209 -1.983 1.00 0.00 H new ATOM 0 HG13 VAL A 79 108.772 -11.186 -3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 79 108.442 -8.144 -3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 79 107.189 -9.346 -4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 79 106.848 -8.055 -2.988 1.00 0.00 H new ATOM 1247 N GLN A 80 107.413 -10.664 0.687 1.00 0.00 N ATOM 1248 CA GLN A 80 107.860 -11.396 1.904 1.00 0.00 C ATOM 1249 C GLN A 80 106.866 -12.520 2.200 1.00 0.00 C ATOM 1250 O GLN A 80 107.243 -13.626 2.533 1.00 0.00 O ATOM 1251 CB GLN A 80 107.918 -10.427 3.091 1.00 0.00 C ATOM 1252 CG GLN A 80 109.336 -10.405 3.670 1.00 0.00 C ATOM 1253 CD GLN A 80 109.627 -11.739 4.358 1.00 0.00 C ATOM 1254 OE1 GLN A 80 109.595 -12.780 3.732 1.00 0.00 O ATOM 1255 NE2 GLN A 80 109.911 -11.755 5.632 1.00 0.00 N ATOM 0 H GLN A 80 107.100 -9.707 0.847 1.00 0.00 H new ATOM 0 HA GLN A 80 108.851 -11.818 1.741 1.00 0.00 H new ATOM 0 HB2 GLN A 80 107.630 -9.426 2.770 1.00 0.00 H new ATOM 0 HB3 GLN A 80 107.206 -10.733 3.858 1.00 0.00 H new ATOM 0 HG2 GLN A 80 110.062 -10.227 2.876 1.00 0.00 H new ATOM 0 HG3 GLN A 80 109.436 -9.587 4.383 1.00 0.00 H new ATOM 0 HE21 GLN A 80 109.938 -10.882 6.159 1.00 0.00 H new ATOM 0 HE22 GLN A 80 110.106 -12.640 6.100 1.00 0.00 H new ATOM 1264 N LEU A 81 105.594 -12.247 2.076 1.00 0.00 N ATOM 1265 CA LEU A 81 104.578 -13.302 2.344 1.00 0.00 C ATOM 1266 C LEU A 81 104.859 -14.503 1.441 1.00 0.00 C ATOM 1267 O LEU A 81 104.803 -15.640 1.866 1.00 0.00 O ATOM 1268 CB LEU A 81 103.176 -12.748 2.054 1.00 0.00 C ATOM 1269 CG LEU A 81 102.346 -12.739 3.340 1.00 0.00 C ATOM 1270 CD1 LEU A 81 101.054 -11.954 3.109 1.00 0.00 C ATOM 1271 CD2 LEU A 81 102.001 -14.178 3.739 1.00 0.00 C ATOM 0 H LEU A 81 105.217 -11.340 1.801 1.00 0.00 H new ATOM 0 HA LEU A 81 104.629 -13.611 3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 81 103.250 -11.738 1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 81 102.683 -13.358 1.297 1.00 0.00 H new ATOM 0 HG LEU A 81 102.921 -12.268 4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 81 100.463 -11.948 4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 81 101.296 -10.929 2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 81 100.480 -12.424 2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 81 101.410 -14.170 4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 81 101.427 -14.649 2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 81 102.920 -14.740 3.905 1.00 0.00 H new ATOM 1283 N ASP A 82 105.169 -14.263 0.196 1.00 0.00 N ATOM 1284 CA ASP A 82 105.461 -15.397 -0.723 1.00 0.00 C ATOM 1285 C ASP A 82 106.691 -16.145 -0.211 1.00 0.00 C ATOM 1286 O ASP A 82 106.643 -17.331 0.049 1.00 0.00 O ATOM 1287 CB ASP A 82 105.730 -14.864 -2.131 1.00 0.00 C ATOM 1288 CG ASP A 82 106.132 -16.018 -3.050 1.00 0.00 C ATOM 1289 OD1 ASP A 82 105.573 -16.112 -4.131 1.00 0.00 O ATOM 1290 OD2 ASP A 82 106.994 -16.789 -2.659 1.00 0.00 O ATOM 0 H ASP A 82 105.232 -13.335 -0.222 1.00 0.00 H new ATOM 0 HA ASP A 82 104.607 -16.073 -0.758 1.00 0.00 H new ATOM 0 HB2 ASP A 82 104.840 -14.370 -2.520 1.00 0.00 H new ATOM 0 HB3 ASP A 82 106.522 -14.116 -2.102 1.00 0.00 H new ATOM 1295 N ASP A 83 107.791 -15.464 -0.054 1.00 0.00 N ATOM 1296 CA ASP A 83 109.011 -16.146 0.454 1.00 0.00 C ATOM 1297 C ASP A 83 108.630 -16.982 1.671 1.00 0.00 C ATOM 1298 O ASP A 83 109.204 -18.020 1.932 1.00 0.00 O ATOM 1299 CB ASP A 83 110.059 -15.104 0.851 1.00 0.00 C ATOM 1300 CG ASP A 83 111.331 -15.811 1.324 1.00 0.00 C ATOM 1301 OD1 ASP A 83 111.521 -15.902 2.526 1.00 0.00 O ATOM 1302 OD2 ASP A 83 112.092 -16.248 0.476 1.00 0.00 O ATOM 0 H ASP A 83 107.897 -14.470 -0.255 1.00 0.00 H new ATOM 0 HA ASP A 83 109.429 -16.787 -0.322 1.00 0.00 H new ATOM 0 HB2 ASP A 83 110.284 -14.458 0.002 1.00 0.00 H new ATOM 0 HB3 ASP A 83 109.670 -14.465 1.644 1.00 0.00 H new ATOM 1307 N TYR A 84 107.650 -16.543 2.414 1.00 0.00 N ATOM 1308 CA TYR A 84 107.218 -17.319 3.605 1.00 0.00 C ATOM 1309 C TYR A 84 106.445 -18.549 3.134 1.00 0.00 C ATOM 1310 O TYR A 84 106.464 -19.588 3.765 1.00 0.00 O ATOM 1311 CB TYR A 84 106.318 -16.452 4.488 1.00 0.00 C ATOM 1312 CG TYR A 84 105.940 -17.221 5.732 1.00 0.00 C ATOM 1313 CD1 TYR A 84 104.657 -17.767 5.853 1.00 0.00 C ATOM 1314 CD2 TYR A 84 106.873 -17.389 6.762 1.00 0.00 C ATOM 1315 CE1 TYR A 84 104.305 -18.481 7.006 1.00 0.00 C ATOM 1316 CE2 TYR A 84 106.522 -18.101 7.914 1.00 0.00 C ATOM 1317 CZ TYR A 84 105.238 -18.648 8.036 1.00 0.00 C ATOM 1318 OH TYR A 84 104.893 -19.351 9.172 1.00 0.00 O ATOM 0 H TYR A 84 107.132 -15.681 2.245 1.00 0.00 H new ATOM 0 HA TYR A 84 108.089 -17.626 4.183 1.00 0.00 H new ATOM 0 HB2 TYR A 84 106.835 -15.532 4.760 1.00 0.00 H new ATOM 0 HB3 TYR A 84 105.421 -16.164 3.939 1.00 0.00 H new ATOM 0 HD1 TYR A 84 103.938 -17.638 5.057 1.00 0.00 H new ATOM 0 HD2 TYR A 84 107.864 -16.969 6.667 1.00 0.00 H new ATOM 0 HE1 TYR A 84 103.315 -18.902 7.100 1.00 0.00 H new ATOM 0 HE2 TYR A 84 107.241 -18.229 8.710 1.00 0.00 H new ATOM 0 HH TYR A 84 105.656 -19.374 9.787 1.00 0.00 H new ATOM 1328 N LEU A 85 105.767 -18.444 2.020 1.00 0.00 N ATOM 1329 CA LEU A 85 105.000 -19.608 1.502 1.00 0.00 C ATOM 1330 C LEU A 85 105.735 -20.204 0.305 1.00 0.00 C ATOM 1331 O LEU A 85 105.148 -20.849 -0.543 1.00 0.00 O ATOM 1332 CB LEU A 85 103.600 -19.158 1.077 1.00 0.00 C ATOM 1333 CG LEU A 85 102.887 -18.515 2.266 1.00 0.00 C ATOM 1334 CD1 LEU A 85 101.541 -17.950 1.810 1.00 0.00 C ATOM 1335 CD2 LEU A 85 102.655 -19.570 3.350 1.00 0.00 C ATOM 0 H LEU A 85 105.714 -17.601 1.449 1.00 0.00 H new ATOM 0 HA LEU A 85 104.909 -20.361 2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 85 103.670 -18.447 0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 85 103.027 -20.011 0.714 1.00 0.00 H new ATOM 0 HG LEU A 85 103.502 -17.709 2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 85 101.033 -17.491 2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 85 101.705 -17.200 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 85 100.925 -18.755 1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 85 102.146 -19.113 4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 85 102.040 -20.375 2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 85 103.614 -19.974 3.676 1.00 0.00 H new ATOM 1347 N ASN A 86 107.018 -19.995 0.232 1.00 0.00 N ATOM 1348 CA ASN A 86 107.807 -20.545 -0.907 1.00 0.00 C ATOM 1349 C ASN A 86 107.002 -20.406 -2.198 1.00 0.00 C ATOM 1350 O ASN A 86 107.084 -21.230 -3.086 1.00 0.00 O ATOM 1351 CB ASN A 86 108.112 -22.022 -0.651 1.00 0.00 C ATOM 1352 CG ASN A 86 109.386 -22.419 -1.399 1.00 0.00 C ATOM 1353 OD1 ASN A 86 110.307 -22.954 -0.813 1.00 0.00 O ATOM 1354 ND2 ASN A 86 109.478 -22.179 -2.678 1.00 0.00 N ATOM 0 H ASN A 86 107.559 -19.464 0.915 1.00 0.00 H new ATOM 0 HA ASN A 86 108.742 -19.993 -1.001 1.00 0.00 H new ATOM 0 HB2 ASN A 86 108.235 -22.199 0.418 1.00 0.00 H new ATOM 0 HB3 ASN A 86 107.277 -22.639 -0.982 1.00 0.00 H new ATOM 0 HD21 ASN A 86 110.323 -22.440 -3.186 1.00 0.00 H new ATOM 0 HD22 ASN A 86 108.705 -21.730 -3.170 1.00 0.00 H new ATOM 1361 N GLY A 87 106.223 -19.367 -2.307 1.00 0.00 N ATOM 1362 CA GLY A 87 105.409 -19.171 -3.539 1.00 0.00 C ATOM 1363 C GLY A 87 104.366 -20.284 -3.645 1.00 0.00 C ATOM 1364 O GLY A 87 104.482 -21.182 -4.455 1.00 0.00 O ATOM 0 H GLY A 87 106.114 -18.644 -1.596 1.00 0.00 H new ATOM 0 HA2 GLY A 87 104.917 -18.199 -3.511 1.00 0.00 H new ATOM 0 HA3 GLY A 87 106.053 -19.177 -4.418 1.00 0.00 H new ATOM 1368 N ARG A 88 103.342 -20.233 -2.834 1.00 0.00 N ATOM 1369 CA ARG A 88 102.292 -21.285 -2.890 1.00 0.00 C ATOM 1370 C ARG A 88 100.924 -20.649 -2.641 1.00 0.00 C ATOM 1371 O ARG A 88 100.053 -21.243 -2.035 1.00 0.00 O ATOM 1372 CB ARG A 88 102.567 -22.343 -1.819 1.00 0.00 C ATOM 1373 CG ARG A 88 103.561 -23.376 -2.355 1.00 0.00 C ATOM 1374 CD ARG A 88 103.601 -24.581 -1.415 1.00 0.00 C ATOM 1375 NE ARG A 88 104.324 -24.213 -0.165 1.00 0.00 N ATOM 1376 CZ ARG A 88 105.623 -24.331 -0.100 1.00 0.00 C ATOM 1377 NH1 ARG A 88 106.253 -24.011 0.996 1.00 0.00 N ATOM 1378 NH2 ARG A 88 106.289 -24.768 -1.133 1.00 0.00 N ATOM 0 H ARG A 88 103.190 -19.506 -2.135 1.00 0.00 H new ATOM 0 HA ARG A 88 102.302 -21.756 -3.873 1.00 0.00 H new ATOM 0 HB2 ARG A 88 102.968 -21.870 -0.922 1.00 0.00 H new ATOM 0 HB3 ARG A 88 101.637 -22.834 -1.532 1.00 0.00 H new ATOM 0 HG2 ARG A 88 103.269 -23.692 -3.356 1.00 0.00 H new ATOM 0 HG3 ARG A 88 104.553 -22.933 -2.438 1.00 0.00 H new ATOM 0 HD2 ARG A 88 102.587 -24.905 -1.179 1.00 0.00 H new ATOM 0 HD3 ARG A 88 104.099 -25.419 -1.902 1.00 0.00 H new ATOM 0 HE ARG A 88 103.803 -23.868 0.641 1.00 0.00 H new ATOM 0 HH11 ARG A 88 105.731 -23.668 1.803 1.00 0.00 H new ATOM 0 HH12 ARG A 88 107.268 -24.103 1.047 1.00 0.00 H new ATOM 0 HH21 ARG A 88 105.795 -25.017 -1.990 1.00 0.00 H new ATOM 0 HH22 ARG A 88 107.304 -24.861 -1.084 1.00 0.00 H new ATOM 1392 N ALA A 89 100.727 -19.445 -3.104 1.00 0.00 N ATOM 1393 CA ALA A 89 99.415 -18.771 -2.894 1.00 0.00 C ATOM 1394 C ALA A 89 99.074 -17.929 -4.125 1.00 0.00 C ATOM 1395 O ALA A 89 99.833 -17.862 -5.072 1.00 0.00 O ATOM 1396 CB ALA A 89 99.496 -17.868 -1.662 1.00 0.00 C ATOM 0 H ALA A 89 101.418 -18.899 -3.619 1.00 0.00 H new ATOM 0 HA ALA A 89 98.640 -19.522 -2.741 1.00 0.00 H new ATOM 0 HB1 ALA A 89 98.536 -17.375 -1.509 1.00 0.00 H new ATOM 0 HB2 ALA A 89 99.739 -18.469 -0.786 1.00 0.00 H new ATOM 0 HB3 ALA A 89 100.270 -17.116 -1.813 1.00 0.00 H new ATOM 1402 N VAL A 90 97.937 -17.287 -4.121 1.00 0.00 N ATOM 1403 CA VAL A 90 97.549 -16.452 -5.293 1.00 0.00 C ATOM 1404 C VAL A 90 97.712 -14.970 -4.947 1.00 0.00 C ATOM 1405 O VAL A 90 97.000 -14.435 -4.120 1.00 0.00 O ATOM 1406 CB VAL A 90 96.089 -16.733 -5.656 1.00 0.00 C ATOM 1407 CG1 VAL A 90 95.808 -16.233 -7.074 1.00 0.00 C ATOM 1408 CG2 VAL A 90 95.829 -18.240 -5.585 1.00 0.00 C ATOM 0 H VAL A 90 97.261 -17.305 -3.357 1.00 0.00 H new ATOM 0 HA VAL A 90 98.190 -16.697 -6.140 1.00 0.00 H new ATOM 0 HB VAL A 90 95.434 -16.216 -4.954 1.00 0.00 H new ATOM 0 HG11 VAL A 90 94.768 -16.434 -7.331 1.00 0.00 H new ATOM 0 HG12 VAL A 90 95.994 -15.160 -7.125 1.00 0.00 H new ATOM 0 HG13 VAL A 90 96.462 -16.748 -7.778 1.00 0.00 H new ATOM 0 HG21 VAL A 90 94.790 -18.442 -5.843 1.00 0.00 H new ATOM 0 HG22 VAL A 90 96.484 -18.756 -6.287 1.00 0.00 H new ATOM 0 HG23 VAL A 90 96.028 -18.596 -4.574 1.00 0.00 H new ATOM 1418 N GLN A 91 98.641 -14.303 -5.575 1.00 0.00 N ATOM 1419 CA GLN A 91 98.846 -12.855 -5.284 1.00 0.00 C ATOM 1420 C GLN A 91 98.045 -12.022 -6.286 1.00 0.00 C ATOM 1421 O GLN A 91 98.229 -12.128 -7.482 1.00 0.00 O ATOM 1422 CB GLN A 91 100.332 -12.514 -5.410 1.00 0.00 C ATOM 1423 CG GLN A 91 101.170 -13.646 -4.811 1.00 0.00 C ATOM 1424 CD GLN A 91 102.642 -13.229 -4.780 1.00 0.00 C ATOM 1425 OE1 GLN A 91 102.964 -12.076 -4.992 1.00 0.00 O ATOM 1426 NE2 GLN A 91 103.556 -14.123 -4.524 1.00 0.00 N ATOM 0 H GLN A 91 99.267 -14.698 -6.277 1.00 0.00 H new ATOM 0 HA GLN A 91 98.509 -12.634 -4.271 1.00 0.00 H new ATOM 0 HB2 GLN A 91 100.595 -12.368 -6.458 1.00 0.00 H new ATOM 0 HB3 GLN A 91 100.546 -11.578 -4.895 1.00 0.00 H new ATOM 0 HG2 GLN A 91 100.824 -13.875 -3.803 1.00 0.00 H new ATOM 0 HG3 GLN A 91 101.050 -14.554 -5.402 1.00 0.00 H new ATOM 0 HE21 GLN A 91 103.287 -15.091 -4.346 1.00 0.00 H new ATOM 0 HE22 GLN A 91 104.540 -13.855 -4.502 1.00 0.00 H new ATOM 1435 N HIS A 92 97.154 -11.196 -5.810 1.00 0.00 N ATOM 1436 CA HIS A 92 96.339 -10.360 -6.738 1.00 0.00 C ATOM 1437 C HIS A 92 96.808 -8.905 -6.668 1.00 0.00 C ATOM 1438 O HIS A 92 96.524 -8.195 -5.722 1.00 0.00 O ATOM 1439 CB HIS A 92 94.866 -10.436 -6.329 1.00 0.00 C ATOM 1440 CG HIS A 92 94.361 -11.839 -6.530 1.00 0.00 C ATOM 1441 ND1 HIS A 92 93.406 -12.152 -7.486 1.00 0.00 N ATOM 1442 CD2 HIS A 92 94.669 -13.023 -5.904 1.00 0.00 C ATOM 1443 CE1 HIS A 92 93.173 -13.476 -7.410 1.00 0.00 C ATOM 1444 NE2 HIS A 92 93.917 -14.050 -6.463 1.00 0.00 N ATOM 0 H HIS A 92 96.955 -11.063 -4.818 1.00 0.00 H new ATOM 0 HA HIS A 92 96.458 -10.731 -7.756 1.00 0.00 H new ATOM 0 HB2 HIS A 92 94.752 -10.143 -5.285 1.00 0.00 H new ATOM 0 HB3 HIS A 92 94.276 -9.737 -6.922 1.00 0.00 H new ATOM 0 HD1 HIS A 92 92.961 -11.498 -8.130 1.00 0.00 H new ATOM 0 HD2 HIS A 92 95.384 -13.138 -5.103 1.00 0.00 H new ATOM 0 HE1 HIS A 92 92.472 -14.007 -8.037 1.00 0.00 H new ATOM 1452 N ARG A 93 97.520 -8.452 -7.664 1.00 0.00 N ATOM 1453 CA ARG A 93 97.998 -7.040 -7.656 1.00 0.00 C ATOM 1454 C ARG A 93 96.827 -6.114 -7.989 1.00 0.00 C ATOM 1455 O ARG A 93 96.487 -5.917 -9.137 1.00 0.00 O ATOM 1456 CB ARG A 93 99.102 -6.868 -8.700 1.00 0.00 C ATOM 1457 CG ARG A 93 100.444 -7.299 -8.102 1.00 0.00 C ATOM 1458 CD ARG A 93 101.563 -7.040 -9.112 1.00 0.00 C ATOM 1459 NE ARG A 93 101.145 -7.531 -10.457 1.00 0.00 N ATOM 1460 CZ ARG A 93 100.573 -6.717 -11.303 1.00 0.00 C ATOM 1461 NH1 ARG A 93 100.213 -7.151 -12.481 1.00 0.00 N ATOM 1462 NH2 ARG A 93 100.357 -5.473 -10.974 1.00 0.00 N ATOM 0 H ARG A 93 97.791 -8.998 -8.482 1.00 0.00 H new ATOM 0 HA ARG A 93 98.394 -6.791 -6.671 1.00 0.00 H new ATOM 0 HB2 ARG A 93 98.877 -7.465 -9.584 1.00 0.00 H new ATOM 0 HB3 ARG A 93 99.153 -5.828 -9.023 1.00 0.00 H new ATOM 0 HG2 ARG A 93 100.637 -6.748 -7.181 1.00 0.00 H new ATOM 0 HG3 ARG A 93 100.414 -8.357 -7.841 1.00 0.00 H new ATOM 0 HD2 ARG A 93 101.788 -5.974 -9.156 1.00 0.00 H new ATOM 0 HD3 ARG A 93 102.476 -7.545 -8.797 1.00 0.00 H new ATOM 0 HE ARG A 93 101.306 -8.504 -10.716 1.00 0.00 H new ATOM 0 HH11 ARG A 93 100.379 -8.124 -12.739 1.00 0.00 H new ATOM 0 HH12 ARG A 93 99.766 -6.517 -13.143 1.00 0.00 H new ATOM 0 HH21 ARG A 93 100.635 -5.133 -10.053 1.00 0.00 H new ATOM 0 HH22 ARG A 93 99.910 -4.840 -11.637 1.00 0.00 H new ATOM 1476 N GLU A 94 96.201 -5.552 -6.991 1.00 0.00 N ATOM 1477 CA GLU A 94 95.047 -4.648 -7.252 1.00 0.00 C ATOM 1478 C GLU A 94 95.515 -3.190 -7.251 1.00 0.00 C ATOM 1479 O GLU A 94 96.292 -2.775 -6.414 1.00 0.00 O ATOM 1480 CB GLU A 94 93.993 -4.844 -6.161 1.00 0.00 C ATOM 1481 CG GLU A 94 93.650 -6.331 -6.045 1.00 0.00 C ATOM 1482 CD GLU A 94 92.993 -6.808 -7.342 1.00 0.00 C ATOM 1483 OE1 GLU A 94 91.819 -6.531 -7.523 1.00 0.00 O ATOM 1484 OE2 GLU A 94 93.676 -7.440 -8.130 1.00 0.00 O ATOM 0 H GLU A 94 96.439 -5.680 -6.007 1.00 0.00 H new ATOM 0 HA GLU A 94 94.618 -4.885 -8.226 1.00 0.00 H new ATOM 0 HB2 GLU A 94 94.367 -4.471 -5.208 1.00 0.00 H new ATOM 0 HB3 GLU A 94 93.097 -4.271 -6.399 1.00 0.00 H new ATOM 0 HG2 GLU A 94 94.553 -6.909 -5.849 1.00 0.00 H new ATOM 0 HG3 GLU A 94 92.978 -6.495 -5.203 1.00 0.00 H new ATOM 1491 N VAL A 95 95.041 -2.410 -8.182 1.00 0.00 N ATOM 1492 CA VAL A 95 95.443 -0.981 -8.242 1.00 0.00 C ATOM 1493 C VAL A 95 94.196 -0.116 -8.424 1.00 0.00 C ATOM 1494 O VAL A 95 93.173 -0.578 -8.892 1.00 0.00 O ATOM 1495 CB VAL A 95 96.392 -0.766 -9.422 1.00 0.00 C ATOM 1496 CG1 VAL A 95 97.189 0.523 -9.210 1.00 0.00 C ATOM 1497 CG2 VAL A 95 97.357 -1.950 -9.522 1.00 0.00 C ATOM 0 H VAL A 95 94.388 -2.705 -8.908 1.00 0.00 H new ATOM 0 HA VAL A 95 95.950 -0.703 -7.318 1.00 0.00 H new ATOM 0 HB VAL A 95 95.814 -0.688 -10.343 1.00 0.00 H new ATOM 0 HG11 VAL A 95 97.865 0.675 -10.051 1.00 0.00 H new ATOM 0 HG12 VAL A 95 96.503 1.367 -9.138 1.00 0.00 H new ATOM 0 HG13 VAL A 95 97.767 0.446 -8.289 1.00 0.00 H new ATOM 0 HG21 VAL A 95 98.034 -1.798 -10.363 1.00 0.00 H new ATOM 0 HG22 VAL A 95 97.934 -2.028 -8.601 1.00 0.00 H new ATOM 0 HG23 VAL A 95 96.791 -2.869 -9.674 1.00 0.00 H new ATOM 1507 N GLN A 96 94.265 1.133 -8.061 1.00 0.00 N ATOM 1508 CA GLN A 96 93.077 2.018 -8.215 1.00 0.00 C ATOM 1509 C GLN A 96 92.712 2.125 -9.696 1.00 0.00 C ATOM 1510 O GLN A 96 93.479 2.612 -10.503 1.00 0.00 O ATOM 1511 CB GLN A 96 93.398 3.409 -7.664 1.00 0.00 C ATOM 1512 CG GLN A 96 92.132 4.272 -7.668 1.00 0.00 C ATOM 1513 CD GLN A 96 92.048 5.057 -8.980 1.00 0.00 C ATOM 1514 OE1 GLN A 96 91.847 4.485 -10.032 1.00 0.00 O ATOM 1515 NE2 GLN A 96 92.193 6.354 -8.961 1.00 0.00 N ATOM 0 H GLN A 96 95.092 1.580 -7.664 1.00 0.00 H new ATOM 0 HA GLN A 96 92.237 1.597 -7.663 1.00 0.00 H new ATOM 0 HB2 GLN A 96 93.791 3.327 -6.650 1.00 0.00 H new ATOM 0 HB3 GLN A 96 94.173 3.880 -8.269 1.00 0.00 H new ATOM 0 HG2 GLN A 96 91.250 3.642 -7.553 1.00 0.00 H new ATOM 0 HG3 GLN A 96 92.146 4.959 -6.822 1.00 0.00 H new ATOM 0 HE21 GLN A 96 92.362 6.835 -8.078 1.00 0.00 H new ATOM 0 HE22 GLN A 96 92.137 6.886 -9.829 1.00 0.00 H new ATOM 1524 N GLY A 97 91.543 1.672 -10.061 1.00 0.00 N ATOM 1525 CA GLY A 97 91.128 1.747 -11.489 1.00 0.00 C ATOM 1526 C GLY A 97 91.654 0.524 -12.239 1.00 0.00 C ATOM 1527 O GLY A 97 91.654 0.482 -13.453 1.00 0.00 O ATOM 0 H GLY A 97 90.858 1.254 -9.431 1.00 0.00 H new ATOM 0 HA2 GLY A 97 90.041 1.791 -11.561 1.00 0.00 H new ATOM 0 HA3 GLY A 97 91.515 2.659 -11.943 1.00 0.00 H new ATOM 1531 N PHE A 98 92.105 -0.474 -11.529 1.00 0.00 N ATOM 1532 CA PHE A 98 92.632 -1.690 -12.210 1.00 0.00 C ATOM 1533 C PHE A 98 92.417 -2.915 -11.315 1.00 0.00 C ATOM 1534 O PHE A 98 93.110 -3.907 -11.429 1.00 0.00 O ATOM 1535 CB PHE A 98 94.129 -1.510 -12.486 1.00 0.00 C ATOM 1536 CG PHE A 98 94.455 -2.006 -13.877 1.00 0.00 C ATOM 1537 CD1 PHE A 98 95.328 -1.274 -14.691 1.00 0.00 C ATOM 1538 CD2 PHE A 98 93.885 -3.193 -14.350 1.00 0.00 C ATOM 1539 CE1 PHE A 98 95.631 -1.732 -15.980 1.00 0.00 C ATOM 1540 CE2 PHE A 98 94.188 -3.649 -15.638 1.00 0.00 C ATOM 1541 CZ PHE A 98 95.061 -2.919 -16.453 1.00 0.00 C ATOM 0 H PHE A 98 92.131 -0.500 -10.510 1.00 0.00 H new ATOM 0 HA PHE A 98 92.104 -1.837 -13.152 1.00 0.00 H new ATOM 0 HB2 PHE A 98 94.402 -0.459 -12.391 1.00 0.00 H new ATOM 0 HB3 PHE A 98 94.713 -2.059 -11.748 1.00 0.00 H new ATOM 0 HD1 PHE A 98 95.767 -0.357 -14.326 1.00 0.00 H new ATOM 0 HD2 PHE A 98 93.212 -3.757 -13.722 1.00 0.00 H new ATOM 0 HE1 PHE A 98 96.305 -1.169 -16.609 1.00 0.00 H new ATOM 0 HE2 PHE A 98 93.748 -4.565 -16.003 1.00 0.00 H new ATOM 0 HZ PHE A 98 95.295 -3.272 -17.447 1.00 0.00 H new ATOM 1551 N GLU A 99 91.462 -2.856 -10.427 1.00 0.00 N ATOM 1552 CA GLU A 99 91.209 -4.020 -9.532 1.00 0.00 C ATOM 1553 C GLU A 99 91.037 -5.285 -10.378 1.00 0.00 C ATOM 1554 O GLU A 99 90.390 -5.273 -11.405 1.00 0.00 O ATOM 1555 CB GLU A 99 89.936 -3.769 -8.716 1.00 0.00 C ATOM 1556 CG GLU A 99 88.995 -2.854 -9.502 1.00 0.00 C ATOM 1557 CD GLU A 99 89.363 -1.392 -9.237 1.00 0.00 C ATOM 1558 OE1 GLU A 99 88.519 -0.541 -9.456 1.00 0.00 O ATOM 1559 OE2 GLU A 99 90.484 -1.151 -8.820 1.00 0.00 O ATOM 0 H GLU A 99 90.848 -2.054 -10.283 1.00 0.00 H new ATOM 0 HA GLU A 99 92.053 -4.150 -8.854 1.00 0.00 H new ATOM 0 HB2 GLU A 99 89.440 -4.715 -8.496 1.00 0.00 H new ATOM 0 HB3 GLU A 99 90.189 -3.312 -7.759 1.00 0.00 H new ATOM 0 HG2 GLU A 99 89.067 -3.070 -10.568 1.00 0.00 H new ATOM 0 HG3 GLU A 99 87.962 -3.039 -9.208 1.00 0.00 H new ATOM 1566 N SER A 100 91.613 -6.375 -9.953 1.00 0.00 N ATOM 1567 CA SER A 100 91.487 -7.640 -10.733 1.00 0.00 C ATOM 1568 C SER A 100 90.026 -8.091 -10.748 1.00 0.00 C ATOM 1569 O SER A 100 89.210 -7.615 -9.983 1.00 0.00 O ATOM 1570 CB SER A 100 92.346 -8.726 -10.085 1.00 0.00 C ATOM 1571 OG SER A 100 92.126 -9.960 -10.752 1.00 0.00 O ATOM 0 H SER A 100 92.166 -6.445 -9.099 1.00 0.00 H new ATOM 0 HA SER A 100 91.824 -7.469 -11.755 1.00 0.00 H new ATOM 0 HB2 SER A 100 93.400 -8.453 -10.140 1.00 0.00 H new ATOM 0 HB3 SER A 100 92.096 -8.821 -9.028 1.00 0.00 H new ATOM 0 HG SER A 100 92.677 -10.658 -10.339 1.00 0.00 H new ATOM 1577 N ALA A 101 89.688 -9.006 -11.614 1.00 0.00 N ATOM 1578 CA ALA A 101 88.280 -9.490 -11.681 1.00 0.00 C ATOM 1579 C ALA A 101 87.965 -10.320 -10.435 1.00 0.00 C ATOM 1580 O ALA A 101 87.054 -10.014 -9.690 1.00 0.00 O ATOM 1581 CB ALA A 101 88.097 -10.356 -12.929 1.00 0.00 C ATOM 0 H ALA A 101 90.327 -9.440 -12.280 1.00 0.00 H new ATOM 0 HA ALA A 101 87.605 -8.636 -11.729 1.00 0.00 H new ATOM 0 HB1 ALA A 101 87.067 -10.710 -12.978 1.00 0.00 H new ATOM 0 HB2 ALA A 101 88.321 -9.766 -13.818 1.00 0.00 H new ATOM 0 HB3 ALA A 101 88.773 -11.210 -12.881 1.00 0.00 H new ATOM 1587 N THR A 102 88.709 -11.366 -10.202 1.00 0.00 N ATOM 1588 CA THR A 102 88.448 -12.212 -9.002 1.00 0.00 C ATOM 1589 C THR A 102 88.272 -11.316 -7.777 1.00 0.00 C ATOM 1590 O THR A 102 87.527 -11.628 -6.868 1.00 0.00 O ATOM 1591 CB THR A 102 89.631 -13.157 -8.777 1.00 0.00 C ATOM 1592 OG1 THR A 102 89.727 -14.061 -9.870 1.00 0.00 O ATOM 1593 CG2 THR A 102 89.420 -13.943 -7.482 1.00 0.00 C ATOM 0 H THR A 102 89.485 -11.672 -10.789 1.00 0.00 H new ATOM 0 HA THR A 102 87.541 -12.796 -9.159 1.00 0.00 H new ATOM 0 HB THR A 102 90.550 -12.576 -8.702 1.00 0.00 H new ATOM 0 HG1 THR A 102 90.485 -14.666 -9.729 1.00 0.00 H new ATOM 0 HG21 THR A 102 90.263 -14.615 -7.323 1.00 0.00 H new ATOM 0 HG22 THR A 102 89.345 -13.250 -6.644 1.00 0.00 H new ATOM 0 HG23 THR A 102 88.501 -14.524 -7.555 1.00 0.00 H new ATOM 1601 N PHE A 103 88.949 -10.203 -7.745 1.00 0.00 N ATOM 1602 CA PHE A 103 88.822 -9.284 -6.579 1.00 0.00 C ATOM 1603 C PHE A 103 87.464 -8.582 -6.632 1.00 0.00 C ATOM 1604 O PHE A 103 86.783 -8.446 -5.636 1.00 0.00 O ATOM 1605 CB PHE A 103 89.939 -8.239 -6.629 1.00 0.00 C ATOM 1606 CG PHE A 103 89.917 -7.416 -5.363 1.00 0.00 C ATOM 1607 CD1 PHE A 103 90.869 -7.646 -4.363 1.00 0.00 C ATOM 1608 CD2 PHE A 103 88.948 -6.421 -5.191 1.00 0.00 C ATOM 1609 CE1 PHE A 103 90.849 -6.882 -3.189 1.00 0.00 C ATOM 1610 CE2 PHE A 103 88.927 -5.658 -4.019 1.00 0.00 C ATOM 1611 CZ PHE A 103 89.879 -5.888 -3.018 1.00 0.00 C ATOM 0 H PHE A 103 89.586 -9.889 -8.477 1.00 0.00 H new ATOM 0 HA PHE A 103 88.901 -9.855 -5.654 1.00 0.00 H new ATOM 0 HB2 PHE A 103 90.906 -8.730 -6.739 1.00 0.00 H new ATOM 0 HB3 PHE A 103 89.809 -7.593 -7.497 1.00 0.00 H new ATOM 0 HD1 PHE A 103 91.619 -8.412 -4.496 1.00 0.00 H new ATOM 0 HD2 PHE A 103 88.216 -6.242 -5.964 1.00 0.00 H new ATOM 0 HE1 PHE A 103 91.582 -7.060 -2.416 1.00 0.00 H new ATOM 0 HE2 PHE A 103 88.177 -4.892 -3.886 1.00 0.00 H new ATOM 0 HZ PHE A 103 89.865 -5.298 -2.114 1.00 0.00 H new ATOM 1621 N LEU A 104 87.063 -8.133 -7.792 1.00 0.00 N ATOM 1622 CA LEU A 104 85.749 -7.441 -7.911 1.00 0.00 C ATOM 1623 C LEU A 104 84.619 -8.451 -7.702 1.00 0.00 C ATOM 1624 O LEU A 104 83.499 -8.088 -7.404 1.00 0.00 O ATOM 1625 CB LEU A 104 85.625 -6.819 -9.304 1.00 0.00 C ATOM 1626 CG LEU A 104 86.276 -5.435 -9.309 1.00 0.00 C ATOM 1627 CD1 LEU A 104 86.745 -5.095 -10.727 1.00 0.00 C ATOM 1628 CD2 LEU A 104 85.258 -4.389 -8.847 1.00 0.00 C ATOM 0 H LEU A 104 87.590 -8.216 -8.662 1.00 0.00 H new ATOM 0 HA LEU A 104 85.681 -6.658 -7.155 1.00 0.00 H new ATOM 0 HB2 LEU A 104 86.105 -7.460 -10.043 1.00 0.00 H new ATOM 0 HB3 LEU A 104 84.575 -6.739 -9.585 1.00 0.00 H new ATOM 0 HG LEU A 104 87.131 -5.435 -8.633 1.00 0.00 H new ATOM 0 HD11 LEU A 104 87.209 -4.109 -10.730 1.00 0.00 H new ATOM 0 HD12 LEU A 104 87.470 -5.838 -11.058 1.00 0.00 H new ATOM 0 HD13 LEU A 104 85.890 -5.096 -11.403 1.00 0.00 H new ATOM 0 HD21 LEU A 104 85.722 -3.403 -8.851 1.00 0.00 H new ATOM 0 HD22 LEU A 104 84.403 -4.390 -9.523 1.00 0.00 H new ATOM 0 HD23 LEU A 104 84.923 -4.628 -7.838 1.00 0.00 H new ATOM 1640 N GLY A 105 84.903 -9.715 -7.857 1.00 0.00 N ATOM 1641 CA GLY A 105 83.843 -10.746 -7.671 1.00 0.00 C ATOM 1642 C GLY A 105 84.017 -11.423 -6.310 1.00 0.00 C ATOM 1643 O GLY A 105 83.079 -11.946 -5.741 1.00 0.00 O ATOM 0 H GLY A 105 85.823 -10.079 -8.104 1.00 0.00 H new ATOM 0 HA2 GLY A 105 82.858 -10.284 -7.735 1.00 0.00 H new ATOM 0 HA3 GLY A 105 83.900 -11.488 -8.467 1.00 0.00 H new ATOM 1647 N TYR A 106 85.211 -11.421 -5.783 1.00 0.00 N ATOM 1648 CA TYR A 106 85.441 -12.068 -4.462 1.00 0.00 C ATOM 1649 C TYR A 106 85.038 -11.105 -3.344 1.00 0.00 C ATOM 1650 O TYR A 106 84.519 -11.505 -2.321 1.00 0.00 O ATOM 1651 CB TYR A 106 86.921 -12.426 -4.319 1.00 0.00 C ATOM 1652 CG TYR A 106 87.204 -12.837 -2.893 1.00 0.00 C ATOM 1653 CD1 TYR A 106 86.497 -13.900 -2.318 1.00 0.00 C ATOM 1654 CD2 TYR A 106 88.175 -12.157 -2.148 1.00 0.00 C ATOM 1655 CE1 TYR A 106 86.760 -14.280 -0.996 1.00 0.00 C ATOM 1656 CE2 TYR A 106 88.437 -12.537 -0.827 1.00 0.00 C ATOM 1657 CZ TYR A 106 87.730 -13.600 -0.251 1.00 0.00 C ATOM 1658 OH TYR A 106 87.989 -13.976 1.052 1.00 0.00 O ATOM 0 H TYR A 106 86.036 -11.000 -6.210 1.00 0.00 H new ATOM 0 HA TYR A 106 84.840 -12.975 -4.393 1.00 0.00 H new ATOM 0 HB2 TYR A 106 87.177 -13.237 -5.000 1.00 0.00 H new ATOM 0 HB3 TYR A 106 87.541 -11.572 -4.593 1.00 0.00 H new ATOM 0 HD1 TYR A 106 85.750 -14.426 -2.893 1.00 0.00 H new ATOM 0 HD2 TYR A 106 88.722 -11.339 -2.593 1.00 0.00 H new ATOM 0 HE1 TYR A 106 86.214 -15.099 -0.551 1.00 0.00 H new ATOM 0 HE2 TYR A 106 89.184 -12.011 -0.252 1.00 0.00 H new ATOM 0 HH TYR A 106 87.227 -13.736 1.619 1.00 0.00 H new ATOM 1668 N PHE A 107 85.275 -9.837 -3.531 1.00 0.00 N ATOM 1669 CA PHE A 107 84.909 -8.847 -2.484 1.00 0.00 C ATOM 1670 C PHE A 107 83.478 -8.357 -2.721 1.00 0.00 C ATOM 1671 O PHE A 107 83.258 -7.306 -3.287 1.00 0.00 O ATOM 1672 CB PHE A 107 85.872 -7.660 -2.545 1.00 0.00 C ATOM 1673 CG PHE A 107 87.169 -8.029 -1.867 1.00 0.00 C ATOM 1674 CD1 PHE A 107 88.202 -8.618 -2.606 1.00 0.00 C ATOM 1675 CD2 PHE A 107 87.339 -7.784 -0.499 1.00 0.00 C ATOM 1676 CE1 PHE A 107 89.406 -8.962 -1.977 1.00 0.00 C ATOM 1677 CE2 PHE A 107 88.543 -8.127 0.129 1.00 0.00 C ATOM 1678 CZ PHE A 107 89.576 -8.715 -0.610 1.00 0.00 C ATOM 0 H PHE A 107 85.708 -9.444 -4.367 1.00 0.00 H new ATOM 0 HA PHE A 107 84.973 -9.317 -1.502 1.00 0.00 H new ATOM 0 HB2 PHE A 107 86.058 -7.382 -3.582 1.00 0.00 H new ATOM 0 HB3 PHE A 107 85.428 -6.792 -2.057 1.00 0.00 H new ATOM 0 HD1 PHE A 107 88.071 -8.807 -3.661 1.00 0.00 H new ATOM 0 HD2 PHE A 107 86.542 -7.331 0.072 1.00 0.00 H new ATOM 0 HE1 PHE A 107 90.202 -9.418 -2.547 1.00 0.00 H new ATOM 0 HE2 PHE A 107 88.674 -7.938 1.184 1.00 0.00 H new ATOM 0 HZ PHE A 107 90.505 -8.978 -0.125 1.00 0.00 H new ATOM 1688 N LYS A 108 82.504 -9.113 -2.292 1.00 0.00 N ATOM 1689 CA LYS A 108 81.090 -8.691 -2.494 1.00 0.00 C ATOM 1690 C LYS A 108 80.727 -7.617 -1.468 1.00 0.00 C ATOM 1691 O LYS A 108 79.652 -7.050 -1.501 1.00 0.00 O ATOM 1692 CB LYS A 108 80.167 -9.898 -2.315 1.00 0.00 C ATOM 1693 CG LYS A 108 80.110 -10.696 -3.620 1.00 0.00 C ATOM 1694 CD LYS A 108 79.477 -12.063 -3.354 1.00 0.00 C ATOM 1695 CE LYS A 108 78.864 -12.601 -4.649 1.00 0.00 C ATOM 1696 NZ LYS A 108 78.539 -14.045 -4.482 1.00 0.00 N ATOM 0 H LYS A 108 82.627 -10.004 -1.811 1.00 0.00 H new ATOM 0 HA LYS A 108 80.972 -8.288 -3.500 1.00 0.00 H new ATOM 0 HB2 LYS A 108 80.531 -10.530 -1.505 1.00 0.00 H new ATOM 0 HB3 LYS A 108 79.167 -9.566 -2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 108 79.529 -10.153 -4.366 1.00 0.00 H new ATOM 0 HG3 LYS A 108 81.114 -10.821 -4.027 1.00 0.00 H new ATOM 0 HD2 LYS A 108 80.229 -12.757 -2.979 1.00 0.00 H new ATOM 0 HD3 LYS A 108 78.710 -11.977 -2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 108 77.963 -12.041 -4.897 1.00 0.00 H new ATOM 0 HE3 LYS A 108 79.561 -12.467 -5.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 78.122 -14.411 -5.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 79.408 -14.573 -4.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 77.859 -14.160 -3.703 1.00 0.00 H new ATOM 1710 N SER A 109 81.613 -7.330 -0.554 1.00 0.00 N ATOM 1711 CA SER A 109 81.316 -6.293 0.472 1.00 0.00 C ATOM 1712 C SER A 109 81.148 -4.934 -0.210 1.00 0.00 C ATOM 1713 O SER A 109 80.769 -3.959 0.410 1.00 0.00 O ATOM 1714 CB SER A 109 82.468 -6.222 1.474 1.00 0.00 C ATOM 1715 OG SER A 109 82.391 -4.999 2.194 1.00 0.00 O ATOM 0 H SER A 109 82.530 -7.770 -0.474 1.00 0.00 H new ATOM 0 HA SER A 109 80.396 -6.553 0.995 1.00 0.00 H new ATOM 0 HB2 SER A 109 82.419 -7.066 2.162 1.00 0.00 H new ATOM 0 HB3 SER A 109 83.423 -6.291 0.953 1.00 0.00 H new ATOM 0 HG SER A 109 81.559 -4.536 1.964 1.00 0.00 H new ATOM 1721 N GLY A 110 81.425 -4.861 -1.483 1.00 0.00 N ATOM 1722 CA GLY A 110 81.281 -3.565 -2.204 1.00 0.00 C ATOM 1723 C GLY A 110 82.508 -2.691 -1.937 1.00 0.00 C ATOM 1724 O GLY A 110 82.492 -1.831 -1.077 1.00 0.00 O ATOM 0 H GLY A 110 81.745 -5.643 -2.055 1.00 0.00 H new ATOM 0 HA2 GLY A 110 81.174 -3.742 -3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 110 80.378 -3.052 -1.874 1.00 0.00 H new ATOM 1728 N LEU A 111 83.569 -2.900 -2.667 1.00 0.00 N ATOM 1729 CA LEU A 111 84.793 -2.078 -2.453 1.00 0.00 C ATOM 1730 C LEU A 111 84.516 -0.634 -2.879 1.00 0.00 C ATOM 1731 O LEU A 111 83.620 -0.367 -3.654 1.00 0.00 O ATOM 1732 CB LEU A 111 85.944 -2.645 -3.290 1.00 0.00 C ATOM 1733 CG LEU A 111 85.388 -3.258 -4.580 1.00 0.00 C ATOM 1734 CD1 LEU A 111 86.426 -3.130 -5.697 1.00 0.00 C ATOM 1735 CD2 LEU A 111 85.072 -4.738 -4.347 1.00 0.00 C ATOM 0 H LEU A 111 83.641 -3.604 -3.402 1.00 0.00 H new ATOM 0 HA LEU A 111 85.067 -2.101 -1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 111 86.657 -1.856 -3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 111 86.484 -3.401 -2.720 1.00 0.00 H new ATOM 0 HG LEU A 111 84.478 -2.731 -4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 111 86.030 -3.566 -6.614 1.00 0.00 H new ATOM 0 HD12 LEU A 111 86.652 -2.077 -5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 111 87.337 -3.655 -5.409 1.00 0.00 H new ATOM 0 HD21 LEU A 111 84.677 -5.174 -5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 111 85.982 -5.263 -4.058 1.00 0.00 H new ATOM 0 HD23 LEU A 111 84.332 -4.831 -3.552 1.00 0.00 H new ATOM 1747 N LYS A 112 85.278 0.300 -2.377 1.00 0.00 N ATOM 1748 CA LYS A 112 85.055 1.723 -2.754 1.00 0.00 C ATOM 1749 C LYS A 112 86.335 2.524 -2.500 1.00 0.00 C ATOM 1750 O LYS A 112 86.970 2.392 -1.474 1.00 0.00 O ATOM 1751 CB LYS A 112 83.908 2.301 -1.913 1.00 0.00 C ATOM 1752 CG LYS A 112 82.674 2.512 -2.793 1.00 0.00 C ATOM 1753 CD LYS A 112 82.916 3.681 -3.755 1.00 0.00 C ATOM 1754 CE LYS A 112 81.582 4.344 -4.100 1.00 0.00 C ATOM 1755 NZ LYS A 112 81.181 5.260 -2.994 1.00 0.00 N ATOM 0 H LYS A 112 86.044 0.138 -1.723 1.00 0.00 H new ATOM 0 HA LYS A 112 84.794 1.784 -3.811 1.00 0.00 H new ATOM 0 HB2 LYS A 112 83.669 1.624 -1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 112 84.213 3.247 -1.466 1.00 0.00 H new ATOM 0 HG2 LYS A 112 82.458 1.604 -3.356 1.00 0.00 H new ATOM 0 HG3 LYS A 112 81.803 2.716 -2.171 1.00 0.00 H new ATOM 0 HD2 LYS A 112 83.588 4.408 -3.299 1.00 0.00 H new ATOM 0 HD3 LYS A 112 83.402 3.324 -4.663 1.00 0.00 H new ATOM 0 HE2 LYS A 112 81.671 4.900 -5.033 1.00 0.00 H new ATOM 0 HE3 LYS A 112 80.815 3.585 -4.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 80.148 5.378 -2.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 81.480 4.856 -2.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 81.635 6.186 -3.128 1.00 0.00 H new ATOM 1769 N TYR A 113 86.717 3.356 -3.431 1.00 0.00 N ATOM 1770 CA TYR A 113 87.954 4.168 -3.245 1.00 0.00 C ATOM 1771 C TYR A 113 87.577 5.541 -2.686 1.00 0.00 C ATOM 1772 O TYR A 113 86.484 6.027 -2.895 1.00 0.00 O ATOM 1773 CB TYR A 113 88.668 4.336 -4.594 1.00 0.00 C ATOM 1774 CG TYR A 113 87.907 3.593 -5.667 1.00 0.00 C ATOM 1775 CD1 TYR A 113 87.113 4.300 -6.578 1.00 0.00 C ATOM 1776 CD2 TYR A 113 87.997 2.199 -5.752 1.00 0.00 C ATOM 1777 CE1 TYR A 113 86.408 3.613 -7.573 1.00 0.00 C ATOM 1778 CE2 TYR A 113 87.292 1.512 -6.746 1.00 0.00 C ATOM 1779 CZ TYR A 113 86.497 2.218 -7.657 1.00 0.00 C ATOM 1780 OH TYR A 113 85.803 1.540 -8.637 1.00 0.00 O ATOM 0 H TYR A 113 86.226 3.509 -4.312 1.00 0.00 H new ATOM 0 HA TYR A 113 88.622 3.662 -2.548 1.00 0.00 H new ATOM 0 HB2 TYR A 113 88.739 5.393 -4.850 1.00 0.00 H new ATOM 0 HB3 TYR A 113 89.687 3.955 -4.527 1.00 0.00 H new ATOM 0 HD1 TYR A 113 87.044 5.376 -6.513 1.00 0.00 H new ATOM 0 HD2 TYR A 113 88.611 1.654 -5.050 1.00 0.00 H new ATOM 0 HE1 TYR A 113 85.796 4.159 -8.276 1.00 0.00 H new ATOM 0 HE2 TYR A 113 87.361 0.436 -6.811 1.00 0.00 H new ATOM 0 HH TYR A 113 85.976 0.579 -8.555 1.00 0.00 H new ATOM 1790 N LYS A 114 88.473 6.170 -1.975 1.00 0.00 N ATOM 1791 CA LYS A 114 88.163 7.513 -1.402 1.00 0.00 C ATOM 1792 C LYS A 114 89.334 8.462 -1.667 1.00 0.00 C ATOM 1793 O LYS A 114 90.413 8.299 -1.131 1.00 0.00 O ATOM 1794 CB LYS A 114 87.936 7.379 0.107 1.00 0.00 C ATOM 1795 CG LYS A 114 86.807 8.318 0.544 1.00 0.00 C ATOM 1796 CD LYS A 114 86.502 8.097 2.026 1.00 0.00 C ATOM 1797 CE LYS A 114 85.046 8.474 2.310 1.00 0.00 C ATOM 1798 NZ LYS A 114 84.616 9.547 1.368 1.00 0.00 N ATOM 0 H LYS A 114 89.405 5.813 -1.766 1.00 0.00 H new ATOM 0 HA LYS A 114 87.263 7.914 -1.869 1.00 0.00 H new ATOM 0 HB2 LYS A 114 87.682 6.349 0.356 1.00 0.00 H new ATOM 0 HB3 LYS A 114 88.852 7.621 0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 114 87.096 9.355 0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 114 85.914 8.133 -0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 114 86.677 7.055 2.293 1.00 0.00 H new ATOM 0 HD3 LYS A 114 87.171 8.700 2.640 1.00 0.00 H new ATOM 0 HE2 LYS A 114 84.405 7.600 2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 114 84.942 8.817 3.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 83.794 10.046 1.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 85.396 10.220 1.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 84.358 9.123 0.454 1.00 0.00 H new ATOM 1812 N LYS A 115 89.130 9.457 -2.487 1.00 0.00 N ATOM 1813 CA LYS A 115 90.230 10.416 -2.785 1.00 0.00 C ATOM 1814 C LYS A 115 90.395 11.381 -1.608 1.00 0.00 C ATOM 1815 O LYS A 115 89.443 11.725 -0.937 1.00 0.00 O ATOM 1816 CB LYS A 115 89.889 11.208 -4.049 1.00 0.00 C ATOM 1817 CG LYS A 115 90.318 10.413 -5.282 1.00 0.00 C ATOM 1818 CD LYS A 115 89.517 9.111 -5.356 1.00 0.00 C ATOM 1819 CE LYS A 115 89.745 8.447 -6.716 1.00 0.00 C ATOM 1820 NZ LYS A 115 89.117 7.096 -6.718 1.00 0.00 N ATOM 0 H LYS A 115 88.248 9.647 -2.963 1.00 0.00 H new ATOM 0 HA LYS A 115 91.159 9.867 -2.940 1.00 0.00 H new ATOM 0 HB2 LYS A 115 88.818 11.408 -4.087 1.00 0.00 H new ATOM 0 HB3 LYS A 115 90.394 12.174 -4.033 1.00 0.00 H new ATOM 0 HG2 LYS A 115 90.155 11.004 -6.183 1.00 0.00 H new ATOM 0 HG3 LYS A 115 91.385 10.194 -5.233 1.00 0.00 H new ATOM 0 HD2 LYS A 115 89.823 8.438 -4.555 1.00 0.00 H new ATOM 0 HD3 LYS A 115 88.456 9.316 -5.213 1.00 0.00 H new ATOM 0 HE2 LYS A 115 89.317 9.060 -7.509 1.00 0.00 H new ATOM 0 HE3 LYS A 115 90.813 8.364 -6.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 88.797 6.863 -7.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 89.813 6.389 -6.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 88.302 7.091 -6.071 1.00 0.00 H new