USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 683 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 4 GLN : amide:sc= -1.19 K(o=-1.2,f=-3.8) USER MOD Set 1.2: A 93 TYR OH : rot -129:sc= 0.00279 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.552 X(o=-0.55,f=-0.91) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.821 K(o=-0.82,f=-0.023) USER MOD Single : A 35 THR OG1 : rot 122:sc= 0.0386 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.27) USER MOD Single : A 61 ASN : amide:sc= -2.42 K(o=-2.4,f=-12!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0203 X(o=-0.02,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.847 K(o=-0.85,f=-1.6) USER MOD Single : A 82 MET CE :methyl -147:sc= -0.0599 (180deg=-0.553) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc=-0.00469 X(o=-0.0047,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -130:sc= -0.099 USER MOD Single : A 90 LYS NZ :NH3+ -163:sc= 1.13 (180deg=0.929) USER MOD Single : A 91 SER OG : rot 105:sc= -0.78 USER MOD Single : A 92 ASN : amide:sc= -1.89 K(o=-1.9,f=-3!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.355 K(o=-0.35,f=0.24) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 4.256 -1.268 -1.867 1.00 11.20 N ATOM 9 CA SER A 2 4.586 -2.364 -0.963 1.00 14.42 C ATOM 10 C SER A 2 4.064 -3.691 -1.505 1.00 11.20 C ATOM 11 O SER A 2 3.116 -3.724 -2.289 1.00 62.30 O ATOM 12 CB SER A 2 3.999 -2.101 0.426 1.00 64.30 C ATOM 13 OG SER A 2 4.948 -1.474 1.270 1.00 1.55 O ATOM 0 HA SER A 2 5.672 -2.425 -0.886 1.00 14.42 H new ATOM 0 HB2 SER A 2 3.114 -1.471 0.337 1.00 64.30 H new ATOM 0 HB3 SER A 2 3.676 -3.042 0.872 1.00 64.30 H new ATOM 0 HG SER A 2 4.548 -1.315 2.151 1.00 1.55 H new ATOM 19 N ALA A 3 4.691 -4.784 -1.081 1.00 13.43 N ATOM 20 CA ALA A 3 4.290 -6.113 -1.522 1.00 23.24 C ATOM 21 C ALA A 3 2.835 -6.395 -1.162 1.00 21.22 C ATOM 22 O ALA A 3 2.532 -6.807 -0.043 1.00 21.32 O ATOM 23 CB ALA A 3 5.201 -7.168 -0.911 1.00 20.30 C ATOM 0 H ALA A 3 5.478 -4.774 -0.433 1.00 13.43 H new ATOM 0 HA ALA A 3 4.382 -6.153 -2.607 1.00 23.24 H new ATOM 0 HB1 ALA A 3 4.890 -8.157 -1.249 1.00 20.30 H new ATOM 0 HB2 ALA A 3 6.230 -6.985 -1.222 1.00 20.30 H new ATOM 0 HB3 ALA A 3 5.137 -7.119 0.176 1.00 20.30 H new ATOM 29 N GLN A 4 1.940 -6.171 -2.119 1.00 60.11 N ATOM 30 CA GLN A 4 0.517 -6.401 -1.901 1.00 51.54 C ATOM 31 C GLN A 4 0.117 -7.804 -2.341 1.00 25.11 C ATOM 32 O GLN A 4 0.480 -8.251 -3.429 1.00 43.23 O ATOM 33 CB GLN A 4 -0.311 -5.361 -2.660 1.00 2.41 C ATOM 34 CG GLN A 4 -1.492 -4.826 -1.867 1.00 31.11 C ATOM 35 CD GLN A 4 -2.079 -3.566 -2.471 1.00 43.20 C ATOM 36 OE1 GLN A 4 -1.430 -2.520 -2.502 1.00 50.14 O ATOM 37 NE2 GLN A 4 -3.312 -3.659 -2.954 1.00 30.04 N ATOM 0 H GLN A 4 2.175 -5.831 -3.052 1.00 60.11 H new ATOM 0 HA GLN A 4 0.320 -6.305 -0.833 1.00 51.54 H new ATOM 0 HB2 GLN A 4 0.335 -4.529 -2.940 1.00 2.41 H new ATOM 0 HB3 GLN A 4 -0.677 -5.806 -3.585 1.00 2.41 H new ATOM 0 HG2 GLN A 4 -2.265 -5.592 -1.813 1.00 31.11 H new ATOM 0 HG3 GLN A 4 -1.175 -4.620 -0.845 1.00 31.11 H new ATOM 0 HE21 GLN A 4 -3.813 -4.546 -2.907 1.00 30.04 H new ATOM 0 HE22 GLN A 4 -3.759 -2.843 -3.372 1.00 30.04 H new ATOM 46 N ASN A 5 -0.631 -8.496 -1.489 1.00 5.15 N ATOM 47 CA ASN A 5 -1.078 -9.851 -1.790 1.00 23.34 C ATOM 48 C ASN A 5 -2.377 -9.830 -2.590 1.00 21.32 C ATOM 49 O ASN A 5 -3.394 -9.316 -2.127 1.00 74.34 O ATOM 50 CB ASN A 5 -1.277 -10.644 -0.496 1.00 24.23 C ATOM 51 CG ASN A 5 -2.324 -10.024 0.408 1.00 4.33 C ATOM 52 OD1 ASN A 5 -2.035 -9.094 1.162 1.00 73.22 O ATOM 53 ND2 ASN A 5 -3.546 -10.537 0.337 1.00 2.53 N ATOM 0 H ASN A 5 -0.941 -8.141 -0.584 1.00 5.15 H new ATOM 0 HA ASN A 5 -0.309 -10.335 -2.391 1.00 23.34 H new ATOM 0 HB2 ASN A 5 -1.571 -11.665 -0.740 1.00 24.23 H new ATOM 0 HB3 ASN A 5 -0.329 -10.705 0.039 1.00 24.23 H new ATOM 0 HD21 ASN A 5 -4.292 -10.161 0.922 1.00 2.53 H new ATOM 0 HD22 ASN A 5 -3.739 -11.308 -0.303 1.00 2.53 H new ATOM 60 N ILE A 6 -2.332 -10.393 -3.793 1.00 74.54 N ATOM 61 CA ILE A 6 -3.506 -10.441 -4.657 1.00 45.21 C ATOM 62 C ILE A 6 -3.756 -11.856 -5.169 1.00 11.54 C ATOM 63 O ILE A 6 -2.886 -12.465 -5.792 1.00 21.31 O ATOM 64 CB ILE A 6 -3.357 -9.491 -5.861 1.00 3.05 C ATOM 65 CG1 ILE A 6 -3.659 -8.050 -5.441 1.00 65.21 C ATOM 66 CG2 ILE A 6 -4.277 -9.923 -6.993 1.00 1.03 C ATOM 67 CD1 ILE A 6 -2.599 -7.447 -4.548 1.00 12.22 C ATOM 0 H ILE A 6 -1.497 -10.822 -4.191 1.00 74.54 H new ATOM 0 HA ILE A 6 -4.355 -10.121 -4.053 1.00 45.21 H new ATOM 0 HB ILE A 6 -2.328 -9.538 -6.218 1.00 3.05 H new ATOM 0 HG12 ILE A 6 -3.764 -7.434 -6.334 1.00 65.21 H new ATOM 0 HG13 ILE A 6 -4.617 -8.024 -4.922 1.00 65.21 H new ATOM 0 HG21 ILE A 6 -4.161 -9.242 -7.836 1.00 1.03 H new ATOM 0 HG22 ILE A 6 -4.019 -10.935 -7.305 1.00 1.03 H new ATOM 0 HG23 ILE A 6 -5.311 -9.902 -6.650 1.00 1.03 H new ATOM 0 HD11 ILE A 6 -2.879 -6.426 -4.290 1.00 12.22 H new ATOM 0 HD12 ILE A 6 -2.510 -8.040 -3.638 1.00 12.22 H new ATOM 0 HD13 ILE A 6 -1.643 -7.440 -5.072 1.00 12.22 H new ATOM 79 N THR A 7 -4.951 -12.373 -4.902 1.00 41.11 N ATOM 80 CA THR A 7 -5.316 -13.715 -5.335 1.00 63.13 C ATOM 81 C THR A 7 -6.078 -13.679 -6.655 1.00 41.23 C ATOM 82 O THR A 7 -6.936 -12.822 -6.865 1.00 11.44 O ATOM 83 CB THR A 7 -6.178 -14.432 -4.279 1.00 13.34 C ATOM 84 OG1 THR A 7 -7.288 -13.606 -3.909 1.00 11.45 O ATOM 85 CG2 THR A 7 -5.354 -14.764 -3.043 1.00 61.23 C ATOM 0 H THR A 7 -5.682 -11.882 -4.388 1.00 41.11 H new ATOM 0 HA THR A 7 -4.386 -14.266 -5.470 1.00 63.13 H new ATOM 0 HB THR A 7 -6.546 -15.362 -4.713 1.00 13.34 H new ATOM 0 HG1 THR A 7 -7.832 -14.070 -3.239 1.00 11.45 H new ATOM 0 HG21 THR A 7 -5.984 -15.270 -2.311 1.00 61.23 H new ATOM 0 HG22 THR A 7 -4.526 -15.416 -3.322 1.00 61.23 H new ATOM 0 HG23 THR A 7 -4.961 -13.844 -2.610 1.00 61.23 H new ATOM 93 N ALA A 8 -5.759 -14.616 -7.543 1.00 11.20 N ATOM 94 CA ALA A 8 -6.415 -14.692 -8.841 1.00 64.15 C ATOM 95 C ALA A 8 -6.555 -16.139 -9.302 1.00 30.03 C ATOM 96 O ALA A 8 -5.929 -17.041 -8.746 1.00 0.34 O ATOM 97 CB ALA A 8 -5.644 -13.880 -9.871 1.00 65.13 C ATOM 0 H ALA A 8 -5.050 -15.332 -7.386 1.00 11.20 H new ATOM 0 HA ALA A 8 -7.416 -14.272 -8.739 1.00 64.15 H new ATOM 0 HB1 ALA A 8 -6.146 -13.946 -10.836 1.00 65.13 H new ATOM 0 HB2 ALA A 8 -5.601 -12.838 -9.555 1.00 65.13 H new ATOM 0 HB3 ALA A 8 -4.632 -14.274 -9.961 1.00 65.13 H new ATOM 103 N ARG A 9 -7.381 -16.353 -10.321 1.00 14.14 N ATOM 104 CA ARG A 9 -7.605 -17.692 -10.854 1.00 4.54 C ATOM 105 C ARG A 9 -7.263 -17.748 -12.340 1.00 31.22 C ATOM 106 O ARG A 9 -7.406 -16.758 -13.059 1.00 13.24 O ATOM 107 CB ARG A 9 -9.059 -18.114 -10.638 1.00 15.02 C ATOM 108 CG ARG A 9 -9.248 -19.074 -9.475 1.00 22.33 C ATOM 109 CD ARG A 9 -9.970 -18.409 -8.313 1.00 43.32 C ATOM 110 NE ARG A 9 -10.718 -19.371 -7.510 1.00 21.40 N ATOM 111 CZ ARG A 9 -11.208 -19.100 -6.306 1.00 73.22 C ATOM 112 NH1 ARG A 9 -11.031 -17.901 -5.769 1.00 1.13 N ATOM 113 NH2 ARG A 9 -11.879 -20.028 -5.636 1.00 30.43 N ATOM 0 H ARG A 9 -7.906 -15.617 -10.794 1.00 14.14 H new ATOM 0 HA ARG A 9 -6.951 -18.383 -10.321 1.00 4.54 H new ATOM 0 HB2 ARG A 9 -9.665 -17.224 -10.466 1.00 15.02 H new ATOM 0 HB3 ARG A 9 -9.432 -18.582 -11.549 1.00 15.02 H new ATOM 0 HG2 ARG A 9 -9.816 -19.943 -9.808 1.00 22.33 H new ATOM 0 HG3 ARG A 9 -8.276 -19.437 -9.141 1.00 22.33 H new ATOM 0 HD2 ARG A 9 -9.245 -17.896 -7.681 1.00 43.32 H new ATOM 0 HD3 ARG A 9 -10.651 -17.650 -8.697 1.00 43.32 H new ATOM 0 HE ARG A 9 -10.873 -20.303 -7.895 1.00 21.40 H new ATOM 0 HH11 ARG A 9 -10.517 -17.184 -6.281 1.00 1.13 H new ATOM 0 HH12 ARG A 9 -11.409 -17.696 -4.844 1.00 1.13 H new ATOM 0 HH21 ARG A 9 -12.019 -20.952 -6.046 1.00 30.43 H new ATOM 0 HH22 ARG A 9 -12.255 -19.818 -4.711 1.00 30.43 H new ATOM 127 N ILE A 10 -6.812 -18.913 -12.794 1.00 73.42 N ATOM 128 CA ILE A 10 -6.452 -19.099 -14.194 1.00 24.20 C ATOM 129 C ILE A 10 -7.588 -18.668 -15.116 1.00 24.01 C ATOM 130 O ILE A 10 -8.697 -19.192 -15.038 1.00 71.12 O ATOM 131 CB ILE A 10 -6.091 -20.566 -14.493 1.00 0.42 C ATOM 132 CG1 ILE A 10 -4.915 -21.012 -13.621 1.00 72.40 C ATOM 133 CG2 ILE A 10 -5.761 -20.740 -15.968 1.00 5.11 C ATOM 134 CD1 ILE A 10 -4.838 -22.511 -13.433 1.00 31.51 C ATOM 0 H ILE A 10 -6.687 -19.742 -12.213 1.00 73.42 H new ATOM 0 HA ILE A 10 -5.579 -18.474 -14.381 1.00 24.20 H new ATOM 0 HB ILE A 10 -6.951 -21.192 -14.257 1.00 0.42 H new ATOM 0 HG12 ILE A 10 -3.986 -20.662 -14.071 1.00 72.40 H new ATOM 0 HG13 ILE A 10 -4.996 -20.535 -12.644 1.00 72.40 H new ATOM 0 HG21 ILE A 10 -5.508 -21.782 -16.164 1.00 5.11 H new ATOM 0 HG22 ILE A 10 -6.625 -20.457 -16.570 1.00 5.11 H new ATOM 0 HG23 ILE A 10 -4.914 -20.106 -16.229 1.00 5.11 H new ATOM 0 HD11 ILE A 10 -3.981 -22.755 -12.805 1.00 31.51 H new ATOM 0 HD12 ILE A 10 -5.751 -22.865 -12.955 1.00 31.51 H new ATOM 0 HD13 ILE A 10 -4.726 -22.994 -14.404 1.00 31.51 H new ATOM 146 N GLY A 11 -7.300 -17.709 -15.993 1.00 20.44 N ATOM 147 CA GLY A 11 -8.307 -17.225 -16.919 1.00 23.52 C ATOM 148 C GLY A 11 -9.140 -16.102 -16.334 1.00 74.22 C ATOM 149 O GLY A 11 -10.119 -15.668 -16.940 1.00 41.24 O ATOM 0 H GLY A 11 -6.388 -17.260 -16.078 1.00 20.44 H new ATOM 0 HA2 GLY A 11 -7.821 -16.876 -17.830 1.00 23.52 H new ATOM 0 HA3 GLY A 11 -8.962 -18.049 -17.203 1.00 23.52 H new ATOM 153 N GLU A 12 -8.752 -15.632 -15.153 1.00 70.23 N ATOM 154 CA GLU A 12 -9.473 -14.554 -14.487 1.00 34.14 C ATOM 155 C GLU A 12 -8.739 -13.227 -14.650 1.00 15.32 C ATOM 156 O GLU A 12 -7.513 -13.152 -14.573 1.00 21.35 O ATOM 157 CB GLU A 12 -9.650 -14.873 -12.999 1.00 43.35 C ATOM 158 CG GLU A 12 -10.413 -16.160 -12.739 1.00 4.11 C ATOM 159 CD GLU A 12 -11.612 -16.323 -13.652 1.00 72.04 C ATOM 160 OE1 GLU A 12 -12.466 -15.412 -13.678 1.00 62.53 O ATOM 161 OE2 GLU A 12 -11.696 -17.362 -14.341 1.00 40.41 O ATOM 0 H GLU A 12 -7.943 -15.980 -14.638 1.00 70.23 H new ATOM 0 HA GLU A 12 -10.455 -14.465 -14.952 1.00 34.14 H new ATOM 0 HB2 GLU A 12 -8.668 -14.942 -12.532 1.00 43.35 H new ATOM 0 HB3 GLU A 12 -10.174 -14.047 -12.519 1.00 43.35 H new ATOM 0 HG2 GLU A 12 -9.742 -17.009 -12.872 1.00 4.11 H new ATOM 0 HG3 GLU A 12 -10.746 -16.177 -11.701 1.00 4.11 H new ATOM 168 N PRO A 13 -9.507 -12.152 -14.883 1.00 13.14 N ATOM 169 CA PRO A 13 -8.953 -10.806 -15.062 1.00 20.31 C ATOM 170 C PRO A 13 -8.379 -10.239 -13.769 1.00 4.34 C ATOM 171 O PRO A 13 -8.906 -10.483 -12.682 1.00 74.55 O ATOM 172 CB PRO A 13 -10.160 -9.983 -15.518 1.00 21.10 C ATOM 173 CG PRO A 13 -11.341 -10.707 -14.971 1.00 21.44 C ATOM 174 CD PRO A 13 -10.976 -12.166 -14.986 1.00 63.54 C ATOM 0 HA PRO A 13 -8.123 -10.798 -15.769 1.00 20.31 H new ATOM 0 HB2 PRO A 13 -10.110 -8.963 -15.137 1.00 21.10 H new ATOM 0 HB3 PRO A 13 -10.205 -9.916 -16.605 1.00 21.10 H new ATOM 0 HG2 PRO A 13 -11.570 -10.372 -13.959 1.00 21.44 H new ATOM 0 HG3 PRO A 13 -12.228 -10.520 -15.576 1.00 21.44 H new ATOM 0 HD2 PRO A 13 -11.432 -12.703 -14.154 1.00 63.54 H new ATOM 0 HD3 PRO A 13 -11.310 -12.654 -15.902 1.00 63.54 H new ATOM 182 N LEU A 14 -7.295 -9.480 -13.891 1.00 50.42 N ATOM 183 CA LEU A 14 -6.649 -8.876 -12.731 1.00 1.15 C ATOM 184 C LEU A 14 -6.105 -7.492 -13.069 1.00 51.32 C ATOM 185 O LEU A 14 -5.592 -7.266 -14.165 1.00 5.21 O ATOM 186 CB LEU A 14 -5.516 -9.773 -12.229 1.00 60.13 C ATOM 187 CG LEU A 14 -5.007 -9.485 -10.816 1.00 53.21 C ATOM 188 CD1 LEU A 14 -6.147 -9.564 -9.812 1.00 4.42 C ATOM 189 CD2 LEU A 14 -3.895 -10.454 -10.442 1.00 51.31 C ATOM 0 H LEU A 14 -6.845 -9.268 -14.782 1.00 50.42 H new ATOM 0 HA LEU A 14 -7.396 -8.770 -11.945 1.00 1.15 H new ATOM 0 HB2 LEU A 14 -5.855 -10.808 -12.267 1.00 60.13 H new ATOM 0 HB3 LEU A 14 -4.678 -9.686 -12.920 1.00 60.13 H new ATOM 0 HG LEU A 14 -4.602 -8.473 -10.795 1.00 53.21 H new ATOM 0 HD11 LEU A 14 -5.766 -9.356 -8.812 1.00 4.42 H new ATOM 0 HD12 LEU A 14 -6.910 -8.830 -10.069 1.00 4.42 H new ATOM 0 HD13 LEU A 14 -6.583 -10.563 -9.834 1.00 4.42 H new ATOM 0 HD21 LEU A 14 -3.545 -10.234 -9.433 1.00 51.31 H new ATOM 0 HD22 LEU A 14 -4.274 -11.475 -10.480 1.00 51.31 H new ATOM 0 HD23 LEU A 14 -3.068 -10.348 -11.144 1.00 51.31 H new ATOM 201 N VAL A 15 -6.219 -6.568 -12.121 1.00 11.12 N ATOM 202 CA VAL A 15 -5.735 -5.207 -12.316 1.00 61.13 C ATOM 203 C VAL A 15 -4.714 -4.827 -11.250 1.00 63.24 C ATOM 204 O VAL A 15 -4.823 -5.241 -10.095 1.00 52.15 O ATOM 205 CB VAL A 15 -6.893 -4.191 -12.288 1.00 1.23 C ATOM 206 CG1 VAL A 15 -6.388 -2.796 -12.626 1.00 63.54 C ATOM 207 CG2 VAL A 15 -7.996 -4.614 -13.245 1.00 52.23 C ATOM 0 H VAL A 15 -6.643 -6.738 -11.209 1.00 11.12 H new ATOM 0 HA VAL A 15 -5.259 -5.178 -13.296 1.00 61.13 H new ATOM 0 HB VAL A 15 -7.308 -4.167 -11.280 1.00 1.23 H new ATOM 0 HG11 VAL A 15 -7.220 -2.092 -12.601 1.00 63.54 H new ATOM 0 HG12 VAL A 15 -5.636 -2.495 -11.897 1.00 63.54 H new ATOM 0 HG13 VAL A 15 -5.946 -2.801 -13.622 1.00 63.54 H new ATOM 0 HG21 VAL A 15 -8.806 -3.885 -13.212 1.00 52.23 H new ATOM 0 HG22 VAL A 15 -7.598 -4.668 -14.258 1.00 52.23 H new ATOM 0 HG23 VAL A 15 -8.377 -5.592 -12.952 1.00 52.23 H new ATOM 217 N LEU A 16 -3.721 -4.038 -11.645 1.00 55.32 N ATOM 218 CA LEU A 16 -2.679 -3.600 -10.723 1.00 32.35 C ATOM 219 C LEU A 16 -2.464 -2.094 -10.818 1.00 43.24 C ATOM 220 O LEU A 16 -2.604 -1.502 -11.888 1.00 34.40 O ATOM 221 CB LEU A 16 -1.369 -4.334 -11.017 1.00 45.30 C ATOM 222 CG LEU A 16 -1.398 -5.853 -10.850 1.00 31.34 C ATOM 223 CD1 LEU A 16 -0.211 -6.491 -11.556 1.00 34.24 C ATOM 224 CD2 LEU A 16 -1.406 -6.227 -9.374 1.00 73.35 C ATOM 0 H LEU A 16 -3.615 -3.688 -12.597 1.00 55.32 H new ATOM 0 HA LEU A 16 -3.002 -3.838 -9.710 1.00 32.35 H new ATOM 0 HB2 LEU A 16 -1.071 -4.107 -12.040 1.00 45.30 H new ATOM 0 HB3 LEU A 16 -0.596 -3.931 -10.363 1.00 45.30 H new ATOM 0 HG LEU A 16 -2.313 -6.232 -11.306 1.00 31.34 H new ATOM 0 HD11 LEU A 16 -0.249 -7.573 -11.426 1.00 34.24 H new ATOM 0 HD12 LEU A 16 -0.248 -6.252 -12.619 1.00 34.24 H new ATOM 0 HD13 LEU A 16 0.716 -6.106 -11.130 1.00 34.24 H new ATOM 0 HD21 LEU A 16 -1.427 -7.312 -9.274 1.00 73.35 H new ATOM 0 HD22 LEU A 16 -0.509 -5.835 -8.895 1.00 73.35 H new ATOM 0 HD23 LEU A 16 -2.288 -5.802 -8.896 1.00 73.35 H new ATOM 236 N LYS A 17 -2.120 -1.477 -9.692 1.00 22.44 N ATOM 237 CA LYS A 17 -1.881 -0.040 -9.648 1.00 61.13 C ATOM 238 C LYS A 17 -0.419 0.260 -9.331 1.00 24.40 C ATOM 239 O LYS A 17 0.257 -0.527 -8.668 1.00 4.21 O ATOM 240 CB LYS A 17 -2.785 0.615 -8.602 1.00 4.51 C ATOM 241 CG LYS A 17 -2.656 2.128 -8.549 1.00 13.11 C ATOM 242 CD LYS A 17 -3.913 2.776 -7.994 1.00 33.52 C ATOM 243 CE LYS A 17 -4.963 2.975 -9.077 1.00 13.24 C ATOM 244 NZ LYS A 17 -6.091 3.824 -8.605 1.00 41.14 N ATOM 0 H LYS A 17 -2.001 -1.951 -8.797 1.00 22.44 H new ATOM 0 HA LYS A 17 -2.113 0.372 -10.630 1.00 61.13 H new ATOM 0 HB2 LYS A 17 -3.822 0.354 -8.815 1.00 4.51 H new ATOM 0 HB3 LYS A 17 -2.548 0.204 -7.621 1.00 4.51 H new ATOM 0 HG2 LYS A 17 -1.802 2.400 -7.929 1.00 13.11 H new ATOM 0 HG3 LYS A 17 -2.459 2.512 -9.550 1.00 13.11 H new ATOM 0 HD2 LYS A 17 -4.323 2.154 -7.198 1.00 33.52 H new ATOM 0 HD3 LYS A 17 -3.661 3.739 -7.549 1.00 33.52 H new ATOM 0 HE2 LYS A 17 -4.502 3.436 -9.950 1.00 13.24 H new ATOM 0 HE3 LYS A 17 -5.346 2.005 -9.394 1.00 13.24 H new ATOM 0 HZ1 LYS A 17 -6.785 3.936 -9.371 1.00 41.14 H new ATOM 0 HZ2 LYS A 17 -6.548 3.372 -7.787 1.00 41.14 H new ATOM 0 HZ3 LYS A 17 -5.729 4.758 -8.326 1.00 41.14 H new ATOM 258 N CYS A 18 0.063 1.402 -9.810 1.00 75.11 N ATOM 259 CA CYS A 18 1.444 1.806 -9.577 1.00 1.03 C ATOM 260 C CYS A 18 1.514 2.949 -8.569 1.00 41.43 C ATOM 261 O CYS A 18 1.295 4.111 -8.914 1.00 51.01 O ATOM 262 CB CYS A 18 2.101 2.230 -10.892 1.00 40.22 C ATOM 263 SG CYS A 18 1.756 1.115 -12.290 1.00 31.43 S ATOM 0 H CYS A 18 -0.483 2.064 -10.362 1.00 75.11 H new ATOM 0 HA CYS A 18 1.983 0.951 -9.168 1.00 1.03 H new ATOM 0 HB2 CYS A 18 1.760 3.233 -11.149 1.00 40.22 H new ATOM 0 HB3 CYS A 18 3.179 2.287 -10.745 1.00 40.22 H new ATOM 268 N LYS A 19 1.820 2.613 -7.321 1.00 3.32 N ATOM 269 CA LYS A 19 1.921 3.609 -6.261 1.00 52.22 C ATOM 270 C LYS A 19 2.932 4.692 -6.627 1.00 73.00 C ATOM 271 O LYS A 19 4.089 4.399 -6.922 1.00 42.31 O ATOM 272 CB LYS A 19 2.324 2.944 -4.943 1.00 41.23 C ATOM 273 CG LYS A 19 1.508 1.707 -4.613 1.00 14.35 C ATOM 274 CD LYS A 19 0.017 2.002 -4.623 1.00 42.41 C ATOM 275 CE LYS A 19 -0.357 3.018 -3.555 1.00 0.03 C ATOM 276 NZ LYS A 19 -1.832 3.180 -3.436 1.00 55.22 N ATOM 0 H LYS A 19 2.003 1.656 -7.018 1.00 3.32 H new ATOM 0 HA LYS A 19 0.943 4.075 -6.140 1.00 52.22 H new ATOM 0 HB2 LYS A 19 3.378 2.672 -4.990 1.00 41.23 H new ATOM 0 HB3 LYS A 19 2.217 3.666 -4.134 1.00 41.23 H new ATOM 0 HG2 LYS A 19 1.729 0.921 -5.335 1.00 14.35 H new ATOM 0 HG3 LYS A 19 1.798 1.330 -3.633 1.00 14.35 H new ATOM 0 HD2 LYS A 19 -0.274 2.379 -5.603 1.00 42.41 H new ATOM 0 HD3 LYS A 19 -0.539 1.079 -4.459 1.00 42.41 H new ATOM 0 HE2 LYS A 19 0.052 2.703 -2.595 1.00 0.03 H new ATOM 0 HE3 LYS A 19 0.096 3.980 -3.795 1.00 0.03 H new ATOM 0 HZ1 LYS A 19 -2.046 3.881 -2.698 1.00 55.22 H new ATOM 0 HZ2 LYS A 19 -2.220 3.505 -4.345 1.00 55.22 H new ATOM 0 HZ3 LYS A 19 -2.262 2.268 -3.182 1.00 55.22 H new ATOM 290 N GLY A 20 2.485 5.944 -6.604 1.00 43.45 N ATOM 291 CA GLY A 20 3.365 7.051 -6.934 1.00 51.12 C ATOM 292 C GLY A 20 2.811 7.920 -8.045 1.00 61.44 C ATOM 293 O GLY A 20 2.916 9.146 -7.996 1.00 22.43 O ATOM 0 H GLY A 20 1.531 6.212 -6.363 1.00 43.45 H new ATOM 0 HA2 GLY A 20 3.525 7.661 -6.045 1.00 51.12 H new ATOM 0 HA3 GLY A 20 4.338 6.661 -7.233 1.00 51.12 H new ATOM 434 N LEU A 29 7.089 6.349 -17.751 1.00 63.24 N ATOM 435 CA LEU A 29 6.953 5.223 -16.833 1.00 41.21 C ATOM 436 C LEU A 29 7.203 3.902 -17.551 1.00 61.54 C ATOM 437 O LEU A 29 7.123 3.826 -18.777 1.00 23.53 O ATOM 438 CB LEU A 29 5.559 5.219 -16.203 1.00 23.12 C ATOM 439 CG LEU A 29 4.461 5.927 -16.997 1.00 1.21 C ATOM 440 CD1 LEU A 29 4.353 5.341 -18.397 1.00 34.34 C ATOM 441 CD2 LEU A 29 3.128 5.828 -16.270 1.00 32.53 C ATOM 0 HA LEU A 29 7.700 5.334 -16.047 1.00 41.21 H new ATOM 0 HB2 LEU A 29 5.256 4.184 -16.046 1.00 23.12 H new ATOM 0 HB3 LEU A 29 5.625 5.684 -15.219 1.00 23.12 H new ATOM 0 HG LEU A 29 4.725 6.981 -17.086 1.00 1.21 H new ATOM 0 HD11 LEU A 29 3.567 5.857 -18.948 1.00 34.34 H new ATOM 0 HD12 LEU A 29 5.302 5.466 -18.918 1.00 34.34 H new ATOM 0 HD13 LEU A 29 4.113 4.280 -18.330 1.00 34.34 H new ATOM 0 HD21 LEU A 29 2.359 6.338 -16.850 1.00 32.53 H new ATOM 0 HD22 LEU A 29 2.856 4.779 -16.149 1.00 32.53 H new ATOM 0 HD23 LEU A 29 3.213 6.296 -15.289 1.00 32.53 H new ATOM 453 N GLU A 30 7.504 2.862 -16.779 1.00 74.13 N ATOM 454 CA GLU A 30 7.763 1.543 -17.343 1.00 24.23 C ATOM 455 C GLU A 30 7.081 0.454 -16.518 1.00 4.22 C ATOM 456 O GLU A 30 6.908 0.596 -15.307 1.00 64.32 O ATOM 457 CB GLU A 30 9.269 1.279 -17.409 1.00 12.11 C ATOM 458 CG GLU A 30 9.636 0.041 -18.210 1.00 42.10 C ATOM 459 CD GLU A 30 11.135 -0.134 -18.359 1.00 32.32 C ATOM 460 OE1 GLU A 30 11.725 0.530 -19.236 1.00 41.30 O ATOM 461 OE2 GLU A 30 11.717 -0.936 -17.600 1.00 13.12 O ATOM 0 H GLU A 30 7.574 2.908 -15.762 1.00 74.13 H new ATOM 0 HA GLU A 30 7.352 1.521 -18.352 1.00 24.23 H new ATOM 0 HB2 GLU A 30 9.762 2.146 -17.849 1.00 12.11 H new ATOM 0 HB3 GLU A 30 9.655 1.173 -16.395 1.00 12.11 H new ATOM 0 HG2 GLU A 30 9.218 -0.840 -17.723 1.00 42.10 H new ATOM 0 HG3 GLU A 30 9.181 0.104 -19.199 1.00 42.10 H new ATOM 468 N TRP A 31 6.696 -0.629 -17.182 1.00 24.45 N ATOM 469 CA TRP A 31 6.033 -1.742 -16.511 1.00 53.41 C ATOM 470 C TRP A 31 6.863 -3.015 -16.618 1.00 4.23 C ATOM 471 O TRP A 31 7.381 -3.344 -17.686 1.00 50.34 O ATOM 472 CB TRP A 31 4.645 -1.971 -17.111 1.00 40.41 C ATOM 473 CG TRP A 31 3.616 -0.999 -16.615 1.00 65.40 C ATOM 474 CD1 TRP A 31 2.742 -1.187 -15.582 1.00 44.43 C ATOM 475 CD2 TRP A 31 3.353 0.309 -17.134 1.00 63.10 C ATOM 476 NE1 TRP A 31 1.952 -0.073 -15.428 1.00 11.10 N ATOM 477 CE2 TRP A 31 2.307 0.859 -16.366 1.00 65.44 C ATOM 478 CE3 TRP A 31 3.900 1.070 -18.171 1.00 43.41 C ATOM 479 CZ2 TRP A 31 1.800 2.133 -16.606 1.00 11.44 C ATOM 480 CZ3 TRP A 31 3.395 2.335 -18.406 1.00 71.41 C ATOM 481 CH2 TRP A 31 2.354 2.856 -17.627 1.00 34.05 C ATOM 0 H TRP A 31 6.831 -0.761 -18.184 1.00 24.45 H new ATOM 0 HA TRP A 31 5.928 -1.488 -15.456 1.00 53.41 H new ATOM 0 HB2 TRP A 31 4.710 -1.898 -18.197 1.00 40.41 H new ATOM 0 HB3 TRP A 31 4.319 -2.985 -16.878 1.00 40.41 H new ATOM 0 HD1 TRP A 31 2.681 -2.079 -14.976 1.00 44.43 H new ATOM 0 HE1 TRP A 31 1.219 0.041 -14.728 1.00 11.10 H new ATOM 0 HE3 TRP A 31 4.702 0.677 -18.777 1.00 43.41 H new ATOM 0 HZ2 TRP A 31 0.997 2.537 -16.007 1.00 11.44 H new ATOM 0 HZ3 TRP A 31 3.810 2.932 -19.204 1.00 71.41 H new ATOM 0 HH2 TRP A 31 1.981 3.848 -17.836 1.00 34.05 H new ATOM 492 N LYS A 32 6.988 -3.731 -15.505 1.00 55.33 N ATOM 493 CA LYS A 32 7.755 -4.971 -15.474 1.00 54.31 C ATOM 494 C LYS A 32 7.130 -5.973 -14.508 1.00 51.42 C ATOM 495 O LYS A 32 6.728 -5.614 -13.400 1.00 24.41 O ATOM 496 CB LYS A 32 9.203 -4.689 -15.067 1.00 32.32 C ATOM 497 CG LYS A 32 10.222 -5.507 -15.841 1.00 33.12 C ATOM 498 CD LYS A 32 11.573 -4.814 -15.888 1.00 31.44 C ATOM 499 CE LYS A 32 12.261 -4.843 -14.531 1.00 42.21 C ATOM 500 NZ LYS A 32 13.267 -3.754 -14.398 1.00 0.44 N ATOM 0 H LYS A 32 6.568 -3.473 -14.612 1.00 55.33 H new ATOM 0 HA LYS A 32 7.743 -5.402 -16.475 1.00 54.31 H new ATOM 0 HB2 LYS A 32 9.413 -3.630 -15.213 1.00 32.32 H new ATOM 0 HB3 LYS A 32 9.319 -4.893 -14.002 1.00 32.32 H new ATOM 0 HG2 LYS A 32 10.331 -6.487 -15.377 1.00 33.12 H new ATOM 0 HG3 LYS A 32 9.862 -5.673 -16.856 1.00 33.12 H new ATOM 0 HD2 LYS A 32 12.207 -5.300 -16.629 1.00 31.44 H new ATOM 0 HD3 LYS A 32 11.442 -3.781 -16.209 1.00 31.44 H new ATOM 0 HE2 LYS A 32 11.514 -4.746 -13.743 1.00 42.21 H new ATOM 0 HE3 LYS A 32 12.749 -5.808 -14.391 1.00 42.21 H new ATOM 0 HZ1 LYS A 32 13.714 -3.807 -13.460 1.00 0.44 H new ATOM 0 HZ2 LYS A 32 13.993 -3.861 -15.135 1.00 0.44 H new ATOM 0 HZ3 LYS A 32 12.797 -2.832 -14.506 1.00 0.44 H new ATOM 514 N LEU A 33 7.052 -7.229 -14.933 1.00 44.05 N ATOM 515 CA LEU A 33 6.477 -8.282 -14.105 1.00 22.22 C ATOM 516 C LEU A 33 7.257 -9.584 -14.262 1.00 12.44 C ATOM 517 O LEU A 33 7.684 -9.935 -15.361 1.00 64.22 O ATOM 518 CB LEU A 33 5.010 -8.507 -14.476 1.00 13.32 C ATOM 519 CG LEU A 33 4.510 -7.766 -15.716 1.00 21.11 C ATOM 520 CD1 LEU A 33 3.292 -8.465 -16.300 1.00 11.30 C ATOM 521 CD2 LEU A 33 4.186 -6.318 -15.379 1.00 52.12 C ATOM 0 H LEU A 33 7.380 -7.543 -15.846 1.00 44.05 H new ATOM 0 HA LEU A 33 6.538 -7.965 -13.064 1.00 22.22 H new ATOM 0 HB2 LEU A 33 4.854 -9.575 -14.628 1.00 13.32 H new ATOM 0 HB3 LEU A 33 4.392 -8.212 -13.628 1.00 13.32 H new ATOM 0 HG LEU A 33 5.302 -7.774 -16.464 1.00 21.11 H new ATOM 0 HD11 LEU A 33 2.950 -7.924 -17.182 1.00 11.30 H new ATOM 0 HD12 LEU A 33 3.557 -9.484 -16.580 1.00 11.30 H new ATOM 0 HD13 LEU A 33 2.495 -8.489 -15.557 1.00 11.30 H new ATOM 0 HD21 LEU A 33 3.832 -5.807 -16.274 1.00 52.12 H new ATOM 0 HD22 LEU A 33 3.411 -6.287 -14.613 1.00 52.12 H new ATOM 0 HD23 LEU A 33 5.083 -5.821 -15.008 1.00 52.12 H new ATOM 533 N ASN A 34 7.437 -10.297 -13.155 1.00 31.32 N ATOM 534 CA ASN A 34 8.164 -11.561 -13.169 1.00 45.02 C ATOM 535 C ASN A 34 7.227 -12.731 -12.889 1.00 33.52 C ATOM 536 O ASN A 34 6.473 -12.719 -11.915 1.00 50.14 O ATOM 537 CB ASN A 34 9.291 -11.537 -12.134 1.00 5.42 C ATOM 538 CG ASN A 34 9.787 -12.928 -11.787 1.00 13.03 C ATOM 539 OD1 ASN A 34 9.940 -13.269 -10.614 1.00 5.23 O ATOM 540 ND2 ASN A 34 10.039 -13.738 -12.808 1.00 74.11 N ATOM 0 H ASN A 34 7.089 -10.021 -12.237 1.00 31.32 H new ATOM 0 HA ASN A 34 8.594 -11.693 -14.162 1.00 45.02 H new ATOM 0 HB2 ASN A 34 10.121 -10.944 -12.518 1.00 5.42 H new ATOM 0 HB3 ASN A 34 8.938 -11.043 -11.228 1.00 5.42 H new ATOM 0 HD21 ASN A 34 10.374 -14.686 -12.636 1.00 74.11 H new ATOM 0 HD22 ASN A 34 9.898 -13.412 -13.764 1.00 74.11 H new ATOM 547 N THR A 35 7.278 -13.743 -13.750 1.00 11.03 N ATOM 548 CA THR A 35 6.434 -14.921 -13.596 1.00 72.33 C ATOM 549 C THR A 35 7.228 -16.201 -13.831 1.00 63.14 C ATOM 550 O THR A 35 8.424 -16.158 -14.113 1.00 1.01 O ATOM 551 CB THR A 35 5.239 -14.887 -14.568 1.00 52.41 C ATOM 552 OG1 THR A 35 5.678 -15.196 -15.895 1.00 53.14 O ATOM 553 CG2 THR A 35 4.570 -13.520 -14.554 1.00 44.05 C ATOM 0 H THR A 35 7.895 -13.770 -14.561 1.00 11.03 H new ATOM 0 HA THR A 35 6.061 -14.910 -12.572 1.00 72.33 H new ATOM 0 HB THR A 35 4.513 -15.633 -14.244 1.00 52.41 H new ATOM 0 HG1 THR A 35 5.186 -15.975 -16.229 1.00 53.14 H new ATOM 0 HG21 THR A 35 3.729 -13.519 -15.248 1.00 44.05 H new ATOM 0 HG22 THR A 35 4.211 -13.301 -13.548 1.00 44.05 H new ATOM 0 HG23 THR A 35 5.290 -12.759 -14.856 1.00 44.05 H new ATOM 561 N GLY A 36 6.553 -17.340 -13.713 1.00 21.44 N ATOM 562 CA GLY A 36 7.212 -18.618 -13.916 1.00 44.14 C ATOM 563 C GLY A 36 8.168 -18.963 -12.791 1.00 12.43 C ATOM 564 O GLY A 36 7.801 -18.907 -11.618 1.00 12.43 O ATOM 0 H GLY A 36 5.562 -17.401 -13.481 1.00 21.44 H new ATOM 0 HA2 GLY A 36 6.459 -19.402 -14.002 1.00 44.14 H new ATOM 0 HA3 GLY A 36 7.758 -18.596 -14.859 1.00 44.14 H new ATOM 568 N ARG A 37 9.396 -19.322 -13.149 1.00 11.54 N ATOM 569 CA ARG A 37 10.407 -19.680 -12.160 1.00 53.23 C ATOM 570 C ARG A 37 11.531 -18.649 -12.134 1.00 42.12 C ATOM 571 O ARG A 37 12.064 -18.322 -11.073 1.00 23.03 O ATOM 572 CB ARG A 37 10.978 -21.066 -12.463 1.00 74.42 C ATOM 573 CG ARG A 37 9.914 -22.125 -12.703 1.00 42.33 C ATOM 574 CD ARG A 37 9.100 -22.391 -11.446 1.00 63.03 C ATOM 575 NE ARG A 37 8.454 -23.700 -11.481 1.00 52.05 N ATOM 576 CZ ARG A 37 9.082 -24.838 -11.210 1.00 22.32 C ATOM 577 NH1 ARG A 37 10.368 -24.828 -10.886 1.00 3.04 N ATOM 578 NH2 ARG A 37 8.426 -25.990 -11.263 1.00 54.00 N ATOM 0 H ARG A 37 9.716 -19.373 -14.116 1.00 11.54 H new ATOM 0 HA ARG A 37 9.931 -19.697 -11.180 1.00 53.23 H new ATOM 0 HB2 ARG A 37 11.619 -21.001 -13.342 1.00 74.42 H new ATOM 0 HB3 ARG A 37 11.609 -21.379 -11.631 1.00 74.42 H new ATOM 0 HG2 ARG A 37 9.251 -21.801 -13.505 1.00 42.33 H new ATOM 0 HG3 ARG A 37 10.387 -23.049 -13.034 1.00 42.33 H new ATOM 0 HD2 ARG A 37 9.750 -22.331 -10.573 1.00 63.03 H new ATOM 0 HD3 ARG A 37 8.342 -21.615 -11.333 1.00 63.03 H new ATOM 0 HE ARG A 37 7.465 -23.743 -11.727 1.00 52.05 H new ATOM 0 HH11 ARG A 37 10.877 -23.945 -10.845 1.00 3.04 H new ATOM 0 HH12 ARG A 37 10.848 -25.703 -10.678 1.00 3.04 H new ATOM 0 HH21 ARG A 37 7.437 -26.003 -11.512 1.00 54.00 H new ATOM 0 HH22 ARG A 37 8.911 -26.863 -11.054 1.00 54.00 H new ATOM 592 N THR A 38 11.887 -18.139 -13.309 1.00 23.12 N ATOM 593 CA THR A 38 12.949 -17.147 -13.421 1.00 64.13 C ATOM 594 C THR A 38 13.142 -16.709 -14.868 1.00 61.22 C ATOM 595 O THR A 38 13.537 -15.576 -15.136 1.00 50.43 O ATOM 596 CB THR A 38 14.285 -17.689 -12.878 1.00 71.55 C ATOM 597 OG1 THR A 38 15.227 -16.620 -12.734 1.00 74.13 O ATOM 598 CG2 THR A 38 14.854 -18.752 -13.807 1.00 0.14 C ATOM 0 H THR A 38 11.455 -18.397 -14.196 1.00 23.12 H new ATOM 0 HA THR A 38 12.644 -16.289 -12.822 1.00 64.13 H new ATOM 0 HB THR A 38 14.099 -18.141 -11.904 1.00 71.55 H new ATOM 0 HG1 THR A 38 16.073 -16.974 -12.387 1.00 74.13 H new ATOM 0 HG21 THR A 38 15.797 -19.120 -13.404 1.00 0.14 H new ATOM 0 HG22 THR A 38 14.148 -19.578 -13.891 1.00 0.14 H new ATOM 0 HG23 THR A 38 15.025 -18.320 -14.793 1.00 0.14 H new ATOM 606 N GLU A 39 12.860 -17.616 -15.799 1.00 30.40 N ATOM 607 CA GLU A 39 13.003 -17.323 -17.220 1.00 41.30 C ATOM 608 C GLU A 39 11.645 -17.044 -17.857 1.00 43.15 C ATOM 609 O GLU A 39 11.414 -17.375 -19.020 1.00 41.41 O ATOM 610 CB GLU A 39 13.687 -18.488 -17.938 1.00 60.21 C ATOM 611 CG GLU A 39 13.203 -19.853 -17.479 1.00 62.43 C ATOM 612 CD GLU A 39 13.871 -20.990 -18.228 1.00 2.45 C ATOM 613 OE1 GLU A 39 15.091 -20.902 -18.477 1.00 1.12 O ATOM 614 OE2 GLU A 39 13.173 -21.970 -18.565 1.00 53.52 O ATOM 0 H GLU A 39 12.531 -18.560 -15.594 1.00 30.40 H new ATOM 0 HA GLU A 39 13.622 -16.431 -17.320 1.00 41.30 H new ATOM 0 HB2 GLU A 39 13.517 -18.393 -19.010 1.00 60.21 H new ATOM 0 HB3 GLU A 39 14.763 -18.421 -17.779 1.00 60.21 H new ATOM 0 HG2 GLU A 39 13.396 -19.963 -16.412 1.00 62.43 H new ATOM 0 HG3 GLU A 39 12.124 -19.917 -17.616 1.00 62.43 H new ATOM 621 N ALA A 40 10.751 -16.433 -17.087 1.00 72.43 N ATOM 622 CA ALA A 40 9.416 -16.109 -17.576 1.00 43.41 C ATOM 623 C ALA A 40 9.127 -14.618 -17.433 1.00 1.21 C ATOM 624 O ALA A 40 8.087 -14.134 -17.877 1.00 51.55 O ATOM 625 CB ALA A 40 8.369 -16.925 -16.833 1.00 11.32 C ATOM 0 H ALA A 40 10.927 -16.152 -16.122 1.00 72.43 H new ATOM 0 HA ALA A 40 9.372 -16.362 -18.635 1.00 43.41 H new ATOM 0 HB1 ALA A 40 7.377 -16.673 -17.208 1.00 11.32 H new ATOM 0 HB2 ALA A 40 8.557 -17.987 -16.990 1.00 11.32 H new ATOM 0 HB3 ALA A 40 8.422 -16.701 -15.768 1.00 11.32 H new ATOM 631 N TRP A 41 10.054 -13.898 -16.811 1.00 61.14 N ATOM 632 CA TRP A 41 9.897 -12.461 -16.610 1.00 31.21 C ATOM 633 C TRP A 41 9.744 -11.738 -17.943 1.00 40.30 C ATOM 634 O TRP A 41 10.512 -11.968 -18.878 1.00 70.34 O ATOM 635 CB TRP A 41 11.096 -11.899 -15.845 1.00 23.12 C ATOM 636 CG TRP A 41 12.370 -11.925 -16.635 1.00 22.52 C ATOM 637 CD1 TRP A 41 13.076 -13.031 -17.014 1.00 30.35 C ATOM 638 CD2 TRP A 41 13.090 -10.796 -17.140 1.00 35.12 C ATOM 639 NE1 TRP A 41 14.190 -12.657 -17.725 1.00 4.24 N ATOM 640 CE2 TRP A 41 14.221 -11.291 -17.816 1.00 22.01 C ATOM 641 CE3 TRP A 41 12.886 -9.414 -17.089 1.00 11.22 C ATOM 642 CZ2 TRP A 41 15.145 -10.452 -18.434 1.00 54.43 C ATOM 643 CZ3 TRP A 41 13.804 -8.582 -17.701 1.00 65.43 C ATOM 644 CH2 TRP A 41 14.922 -9.103 -18.368 1.00 32.40 C ATOM 0 H TRP A 41 10.921 -14.284 -16.438 1.00 61.14 H new ATOM 0 HA TRP A 41 8.992 -12.298 -16.024 1.00 31.21 H new ATOM 0 HB2 TRP A 41 10.881 -10.872 -15.550 1.00 23.12 H new ATOM 0 HB3 TRP A 41 11.234 -12.472 -14.928 1.00 23.12 H new ATOM 0 HD1 TRP A 41 12.799 -14.050 -16.788 1.00 30.35 H new ATOM 0 HE1 TRP A 41 14.882 -13.293 -18.121 1.00 4.24 H new ATOM 0 HE3 TRP A 41 12.026 -9.004 -16.580 1.00 11.22 H new ATOM 0 HZ2 TRP A 41 16.007 -10.852 -18.947 1.00 54.43 H new ATOM 0 HZ3 TRP A 41 13.658 -7.513 -17.665 1.00 65.43 H new ATOM 0 HH2 TRP A 41 15.621 -8.427 -18.839 1.00 32.40 H new ATOM 655 N LYS A 42 8.748 -10.863 -18.026 1.00 2.50 N ATOM 656 CA LYS A 42 8.495 -10.103 -19.245 1.00 22.45 C ATOM 657 C LYS A 42 8.397 -8.611 -18.945 1.00 44.14 C ATOM 658 O LYS A 42 8.115 -8.211 -17.816 1.00 74.23 O ATOM 659 CB LYS A 42 7.206 -10.587 -19.912 1.00 54.50 C ATOM 660 CG LYS A 42 6.884 -12.044 -19.629 1.00 53.02 C ATOM 661 CD LYS A 42 6.034 -12.194 -18.377 1.00 44.12 C ATOM 662 CE LYS A 42 4.649 -11.597 -18.569 1.00 40.11 C ATOM 663 NZ LYS A 42 3.603 -12.650 -18.693 1.00 0.23 N ATOM 0 H LYS A 42 8.102 -10.662 -17.263 1.00 2.50 H new ATOM 0 HA LYS A 42 9.331 -10.264 -19.925 1.00 22.45 H new ATOM 0 HB2 LYS A 42 6.376 -9.968 -19.572 1.00 54.50 H new ATOM 0 HB3 LYS A 42 7.289 -10.445 -20.989 1.00 54.50 H new ATOM 0 HG2 LYS A 42 6.357 -12.473 -20.481 1.00 53.02 H new ATOM 0 HG3 LYS A 42 7.810 -12.606 -19.511 1.00 53.02 H new ATOM 0 HD2 LYS A 42 5.944 -13.250 -18.121 1.00 44.12 H new ATOM 0 HD3 LYS A 42 6.529 -11.704 -17.539 1.00 44.12 H new ATOM 0 HE2 LYS A 42 4.413 -10.948 -17.725 1.00 40.11 H new ATOM 0 HE3 LYS A 42 4.643 -10.973 -19.462 1.00 40.11 H new ATOM 0 HZ1 LYS A 42 2.673 -12.202 -18.823 1.00 0.23 H new ATOM 0 HZ2 LYS A 42 3.814 -13.254 -19.513 1.00 0.23 H new ATOM 0 HZ3 LYS A 42 3.591 -13.230 -17.830 1.00 0.23 H new ATOM 677 N VAL A 43 8.630 -7.790 -19.965 1.00 61.42 N ATOM 678 CA VAL A 43 8.565 -6.342 -19.813 1.00 12.34 C ATOM 679 C VAL A 43 7.265 -5.787 -20.383 1.00 40.40 C ATOM 680 O VAL A 43 6.977 -5.947 -21.570 1.00 15.33 O ATOM 681 CB VAL A 43 9.754 -5.650 -20.506 1.00 32.14 C ATOM 682 CG1 VAL A 43 9.755 -4.160 -20.204 1.00 3.44 C ATOM 683 CG2 VAL A 43 11.066 -6.291 -20.078 1.00 62.02 C ATOM 0 H VAL A 43 8.866 -8.104 -20.906 1.00 61.42 H new ATOM 0 HA VAL A 43 8.607 -6.134 -18.744 1.00 12.34 H new ATOM 0 HB VAL A 43 9.649 -5.777 -21.583 1.00 32.14 H new ATOM 0 HG11 VAL A 43 10.602 -3.688 -20.702 1.00 3.44 H new ATOM 0 HG12 VAL A 43 8.828 -3.715 -20.565 1.00 3.44 H new ATOM 0 HG13 VAL A 43 9.836 -4.007 -19.128 1.00 3.44 H new ATOM 0 HG21 VAL A 43 11.896 -5.790 -20.577 1.00 62.02 H new ATOM 0 HG22 VAL A 43 11.182 -6.197 -18.998 1.00 62.02 H new ATOM 0 HG23 VAL A 43 11.062 -7.346 -20.352 1.00 62.02 H new ATOM 693 N LEU A 44 6.483 -5.133 -19.530 1.00 25.10 N ATOM 694 CA LEU A 44 5.212 -4.552 -19.949 1.00 43.32 C ATOM 695 C LEU A 44 5.392 -3.099 -20.375 1.00 50.40 C ATOM 696 O LEU A 44 6.219 -2.376 -19.819 1.00 2.43 O ATOM 697 CB LEU A 44 4.190 -4.641 -18.815 1.00 2.01 C ATOM 698 CG LEU A 44 3.136 -5.740 -18.947 1.00 54.23 C ATOM 699 CD1 LEU A 44 2.130 -5.653 -17.809 1.00 32.41 C ATOM 700 CD2 LEU A 44 2.431 -5.644 -20.292 1.00 21.42 C ATOM 0 H LEU A 44 6.707 -4.992 -18.545 1.00 25.10 H new ATOM 0 HA LEU A 44 4.846 -5.119 -20.805 1.00 43.32 H new ATOM 0 HB2 LEU A 44 4.728 -4.792 -17.879 1.00 2.01 H new ATOM 0 HB3 LEU A 44 3.678 -3.682 -18.738 1.00 2.01 H new ATOM 0 HG LEU A 44 3.637 -6.706 -18.890 1.00 54.23 H new ATOM 0 HD11 LEU A 44 1.387 -6.443 -17.919 1.00 32.41 H new ATOM 0 HD12 LEU A 44 2.647 -5.771 -16.857 1.00 32.41 H new ATOM 0 HD13 LEU A 44 1.634 -4.683 -17.835 1.00 32.41 H new ATOM 0 HD21 LEU A 44 1.684 -6.434 -20.368 1.00 21.42 H new ATOM 0 HD22 LEU A 44 1.943 -4.673 -20.378 1.00 21.42 H new ATOM 0 HD23 LEU A 44 3.161 -5.756 -21.094 1.00 21.42 H new ATOM 712 N SER A 45 4.610 -2.675 -21.363 1.00 70.21 N ATOM 713 CA SER A 45 4.684 -1.308 -21.865 1.00 3.13 C ATOM 714 C SER A 45 3.309 -0.647 -21.845 1.00 73.42 C ATOM 715 O SER A 45 2.275 -1.309 -21.738 1.00 3.32 O ATOM 716 CB SER A 45 5.249 -1.294 -23.286 1.00 44.31 C ATOM 717 OG SER A 45 5.422 -2.611 -23.780 1.00 61.04 O ATOM 0 H SER A 45 3.918 -3.259 -21.832 1.00 70.21 H new ATOM 0 HA SER A 45 5.349 -0.743 -21.212 1.00 3.13 H new ATOM 0 HB2 SER A 45 4.577 -0.742 -23.942 1.00 44.31 H new ATOM 0 HB3 SER A 45 6.205 -0.770 -23.295 1.00 44.31 H new ATOM 0 HG SER A 45 5.783 -2.574 -24.690 1.00 61.04 H new ATOM 723 N PRO A 46 3.294 0.689 -21.951 1.00 43.11 N ATOM 724 CA PRO A 46 2.053 1.470 -21.949 1.00 42.34 C ATOM 725 C PRO A 46 1.236 1.262 -23.219 1.00 55.02 C ATOM 726 O PRO A 46 0.158 1.837 -23.374 1.00 34.00 O ATOM 727 CB PRO A 46 2.545 2.917 -21.860 1.00 24.12 C ATOM 728 CG PRO A 46 3.918 2.887 -22.438 1.00 51.22 C ATOM 729 CD PRO A 46 4.488 1.542 -22.082 1.00 53.22 C ATOM 0 HA PRO A 46 1.390 1.180 -21.134 1.00 42.34 H new ATOM 0 HB2 PRO A 46 1.895 3.591 -22.418 1.00 24.12 H new ATOM 0 HB3 PRO A 46 2.557 3.268 -20.828 1.00 24.12 H new ATOM 0 HG2 PRO A 46 3.889 3.025 -23.519 1.00 51.22 H new ATOM 0 HG3 PRO A 46 4.531 3.691 -22.030 1.00 51.22 H new ATOM 0 HD2 PRO A 46 5.162 1.174 -22.855 1.00 53.22 H new ATOM 0 HD3 PRO A 46 5.058 1.580 -21.154 1.00 53.22 H new ATOM 737 N GLN A 47 1.755 0.438 -24.124 1.00 52.21 N ATOM 738 CA GLN A 47 1.071 0.156 -25.380 1.00 10.12 C ATOM 739 C GLN A 47 0.823 -1.341 -25.541 1.00 55.43 C ATOM 740 O GLN A 47 1.462 -2.002 -26.357 1.00 62.12 O ATOM 741 CB GLN A 47 1.892 0.679 -26.561 1.00 31.35 C ATOM 742 CG GLN A 47 1.070 0.910 -27.818 1.00 61.50 C ATOM 743 CD GLN A 47 -0.035 1.928 -27.614 1.00 23.12 C ATOM 744 OE1 GLN A 47 0.226 3.120 -27.451 1.00 23.12 O ATOM 745 NE2 GLN A 47 -1.278 1.462 -27.623 1.00 71.32 N ATOM 0 H GLN A 47 2.646 -0.045 -24.011 1.00 52.21 H new ATOM 0 HA GLN A 47 0.108 0.665 -25.362 1.00 10.12 H new ATOM 0 HB2 GLN A 47 2.372 1.615 -26.273 1.00 31.35 H new ATOM 0 HB3 GLN A 47 2.688 -0.032 -26.783 1.00 31.35 H new ATOM 0 HG2 GLN A 47 1.727 1.248 -28.620 1.00 61.50 H new ATOM 0 HG3 GLN A 47 0.633 -0.035 -28.141 1.00 61.50 H new ATOM 0 HE21 GLN A 47 -1.448 0.466 -27.762 1.00 71.32 H new ATOM 0 HE22 GLN A 47 -2.063 2.100 -27.491 1.00 71.32 H new ATOM 852 N ALA A 56 -0.926 -8.604 -21.218 1.00 41.43 N ATOM 853 CA ALA A 56 -1.958 -7.689 -20.747 1.00 41.42 C ATOM 854 C ALA A 56 -1.762 -6.293 -21.331 1.00 30.41 C ATOM 855 O ALA A 56 -0.786 -6.036 -22.036 1.00 72.31 O ATOM 856 CB ALA A 56 -1.958 -7.632 -19.226 1.00 41.12 C ATOM 0 HA ALA A 56 -2.924 -8.064 -21.086 1.00 41.42 H new ATOM 0 HB1 ALA A 56 -2.734 -6.945 -18.888 1.00 41.12 H new ATOM 0 HB2 ALA A 56 -2.154 -8.626 -18.825 1.00 41.12 H new ATOM 0 HB3 ALA A 56 -0.987 -7.284 -18.875 1.00 41.12 H new ATOM 862 N ARG A 57 -2.697 -5.396 -21.032 1.00 63.33 N ATOM 863 CA ARG A 57 -2.628 -4.027 -21.529 1.00 64.40 C ATOM 864 C ARG A 57 -2.427 -3.042 -20.382 1.00 71.42 C ATOM 865 O ARG A 57 -2.678 -3.365 -19.221 1.00 32.01 O ATOM 866 CB ARG A 57 -3.902 -3.678 -22.300 1.00 43.21 C ATOM 867 CG ARG A 57 -4.560 -4.875 -22.965 1.00 61.12 C ATOM 868 CD ARG A 57 -5.620 -5.497 -22.071 1.00 54.03 C ATOM 869 NE ARG A 57 -6.782 -5.949 -22.831 1.00 63.32 N ATOM 870 CZ ARG A 57 -7.692 -5.127 -23.342 1.00 13.52 C ATOM 871 NH1 ARG A 57 -7.575 -3.817 -23.174 1.00 3.22 N ATOM 872 NH2 ARG A 57 -8.722 -5.615 -24.022 1.00 45.34 N ATOM 0 H ARG A 57 -3.510 -5.593 -20.449 1.00 63.33 H new ATOM 0 HA ARG A 57 -1.773 -3.953 -22.201 1.00 64.40 H new ATOM 0 HB2 ARG A 57 -4.615 -3.216 -21.617 1.00 43.21 H new ATOM 0 HB3 ARG A 57 -3.663 -2.936 -23.062 1.00 43.21 H new ATOM 0 HG2 ARG A 57 -5.013 -4.566 -23.907 1.00 61.12 H new ATOM 0 HG3 ARG A 57 -3.802 -5.621 -23.206 1.00 61.12 H new ATOM 0 HD2 ARG A 57 -5.189 -6.341 -21.532 1.00 54.03 H new ATOM 0 HD3 ARG A 57 -5.937 -4.769 -21.324 1.00 54.03 H new ATOM 0 HE ARG A 57 -6.902 -6.951 -22.978 1.00 63.32 H new ATOM 0 HH11 ARG A 57 -6.785 -3.438 -22.652 1.00 3.22 H new ATOM 0 HH12 ARG A 57 -8.275 -3.188 -23.567 1.00 3.22 H new ATOM 0 HH21 ARG A 57 -8.816 -6.622 -24.153 1.00 45.34 H new ATOM 0 HH22 ARG A 57 -9.420 -4.983 -24.414 1.00 45.34 H new ATOM 886 N VAL A 58 -1.972 -1.838 -20.716 1.00 34.53 N ATOM 887 CA VAL A 58 -1.738 -0.805 -19.714 1.00 41.53 C ATOM 888 C VAL A 58 -2.780 0.303 -19.813 1.00 51.42 C ATOM 889 O VAL A 58 -3.029 0.841 -20.893 1.00 74.20 O ATOM 890 CB VAL A 58 -0.334 -0.189 -19.861 1.00 20.03 C ATOM 891 CG1 VAL A 58 -0.253 1.138 -19.123 1.00 13.24 C ATOM 892 CG2 VAL A 58 0.726 -1.154 -19.356 1.00 24.05 C ATOM 0 H VAL A 58 -1.758 -1.554 -21.672 1.00 34.53 H new ATOM 0 HA VAL A 58 -1.816 -1.286 -18.739 1.00 41.53 H new ATOM 0 HB VAL A 58 -0.148 -0.001 -20.918 1.00 20.03 H new ATOM 0 HG11 VAL A 58 0.746 1.558 -19.238 1.00 13.24 H new ATOM 0 HG12 VAL A 58 -0.987 1.830 -19.536 1.00 13.24 H new ATOM 0 HG13 VAL A 58 -0.460 0.979 -18.065 1.00 13.24 H new ATOM 0 HG21 VAL A 58 1.712 -0.702 -19.467 1.00 24.05 H new ATOM 0 HG22 VAL A 58 0.545 -1.375 -18.304 1.00 24.05 H new ATOM 0 HG23 VAL A 58 0.682 -2.077 -19.934 1.00 24.05 H new ATOM 902 N LEU A 59 -3.387 0.640 -18.680 1.00 63.12 N ATOM 903 CA LEU A 59 -4.403 1.686 -18.638 1.00 44.14 C ATOM 904 C LEU A 59 -3.784 3.057 -18.886 1.00 0.42 C ATOM 905 O LEU A 59 -2.588 3.271 -18.684 1.00 51.23 O ATOM 906 CB LEU A 59 -5.121 1.674 -17.288 1.00 23.53 C ATOM 907 CG LEU A 59 -6.138 0.552 -17.078 1.00 61.55 C ATOM 908 CD1 LEU A 59 -6.489 0.418 -15.605 1.00 23.34 C ATOM 909 CD2 LEU A 59 -7.391 0.806 -17.905 1.00 2.21 C ATOM 0 H LEU A 59 -3.193 0.204 -17.778 1.00 63.12 H new ATOM 0 HA LEU A 59 -5.127 1.487 -19.428 1.00 44.14 H new ATOM 0 HB2 LEU A 59 -4.370 1.609 -16.501 1.00 23.53 H new ATOM 0 HB3 LEU A 59 -5.632 2.629 -17.163 1.00 23.53 H new ATOM 0 HG LEU A 59 -5.690 -0.384 -17.410 1.00 61.55 H new ATOM 0 HD11 LEU A 59 -7.214 -0.385 -15.475 1.00 23.34 H new ATOM 0 HD12 LEU A 59 -5.588 0.189 -15.036 1.00 23.34 H new ATOM 0 HD13 LEU A 59 -6.917 1.354 -15.246 1.00 23.34 H new ATOM 0 HD21 LEU A 59 -8.104 -0.003 -17.743 1.00 2.21 H new ATOM 0 HD22 LEU A 59 -7.841 1.752 -17.603 1.00 2.21 H new ATOM 0 HD23 LEU A 59 -7.127 0.851 -18.962 1.00 2.21 H new ATOM 921 N PRO A 60 -4.615 4.011 -19.332 1.00 13.31 N ATOM 922 CA PRO A 60 -4.172 5.379 -19.614 1.00 52.24 C ATOM 923 C PRO A 60 -3.816 6.147 -18.345 1.00 3.14 C ATOM 924 O PRO A 60 -3.059 7.116 -18.386 1.00 34.34 O ATOM 925 CB PRO A 60 -5.387 6.012 -20.297 1.00 62.20 C ATOM 926 CG PRO A 60 -6.553 5.230 -19.799 1.00 42.21 C ATOM 927 CD PRO A 60 -6.053 3.827 -19.595 1.00 22.34 C ATOM 0 HA PRO A 60 -3.267 5.396 -20.221 1.00 52.24 H new ATOM 0 HB2 PRO A 60 -5.480 7.067 -20.041 1.00 62.20 H new ATOM 0 HB3 PRO A 60 -5.306 5.954 -21.382 1.00 62.20 H new ATOM 0 HG2 PRO A 60 -6.934 5.648 -18.867 1.00 42.21 H new ATOM 0 HG3 PRO A 60 -7.373 5.252 -20.517 1.00 42.21 H new ATOM 0 HD2 PRO A 60 -6.555 3.339 -18.759 1.00 22.34 H new ATOM 0 HD3 PRO A 60 -6.224 3.208 -20.475 1.00 22.34 H new ATOM 935 N ASN A 61 -4.366 5.705 -17.217 1.00 64.44 N ATOM 936 CA ASN A 61 -4.106 6.351 -15.936 1.00 70.51 C ATOM 937 C ASN A 61 -2.803 5.844 -15.327 1.00 33.54 C ATOM 938 O ASN A 61 -2.412 6.260 -14.237 1.00 0.15 O ATOM 939 CB ASN A 61 -5.266 6.100 -14.970 1.00 63.30 C ATOM 940 CG ASN A 61 -5.647 4.634 -14.893 1.00 3.43 C ATOM 941 OD1 ASN A 61 -4.897 3.762 -15.335 1.00 13.42 O ATOM 942 ND2 ASN A 61 -6.816 4.356 -14.329 1.00 24.42 N ATOM 0 H ASN A 61 -4.994 4.903 -17.165 1.00 64.44 H new ATOM 0 HA ASN A 61 -4.012 7.423 -16.109 1.00 70.51 H new ATOM 0 HB2 ASN A 61 -4.991 6.454 -13.976 1.00 63.30 H new ATOM 0 HB3 ASN A 61 -6.132 6.681 -15.287 1.00 63.30 H new ATOM 0 HD21 ASN A 61 -7.126 3.388 -14.248 1.00 24.42 H new ATOM 0 HD22 ASN A 61 -7.405 5.111 -13.977 1.00 24.42 H new ATOM 949 N GLY A 62 -2.134 4.941 -16.039 1.00 3.50 N ATOM 950 CA GLY A 62 -0.882 4.392 -15.552 1.00 44.44 C ATOM 951 C GLY A 62 -1.078 3.117 -14.757 1.00 71.24 C ATOM 952 O GLY A 62 -0.296 2.812 -13.857 1.00 70.14 O ATOM 0 H GLY A 62 -2.437 4.580 -16.944 1.00 3.50 H new ATOM 0 HA2 GLY A 62 -0.224 4.192 -16.397 1.00 44.44 H new ATOM 0 HA3 GLY A 62 -0.383 5.133 -14.927 1.00 44.44 H new ATOM 956 N SER A 63 -2.126 2.370 -15.089 1.00 63.13 N ATOM 957 CA SER A 63 -2.425 1.122 -14.397 1.00 14.03 C ATOM 958 C SER A 63 -2.211 -0.076 -15.317 1.00 30.20 C ATOM 959 O SER A 63 -1.827 0.079 -16.477 1.00 62.34 O ATOM 960 CB SER A 63 -3.867 1.134 -13.883 1.00 25.33 C ATOM 961 OG SER A 63 -3.949 1.750 -12.610 1.00 22.54 O ATOM 0 H SER A 63 -2.782 2.607 -15.833 1.00 63.13 H new ATOM 0 HA SER A 63 -1.744 1.032 -13.550 1.00 14.03 H new ATOM 0 HB2 SER A 63 -4.504 1.666 -14.590 1.00 25.33 H new ATOM 0 HB3 SER A 63 -4.243 0.113 -13.821 1.00 25.33 H new ATOM 0 HG SER A 63 -4.880 1.747 -12.304 1.00 22.54 H new ATOM 967 N LEU A 64 -2.461 -1.270 -14.791 1.00 74.44 N ATOM 968 CA LEU A 64 -2.297 -2.496 -15.565 1.00 22.15 C ATOM 969 C LEU A 64 -3.548 -3.364 -15.482 1.00 20.34 C ATOM 970 O LEU A 64 -4.054 -3.642 -14.393 1.00 44.42 O ATOM 971 CB LEU A 64 -1.083 -3.279 -15.062 1.00 34.34 C ATOM 972 CG LEU A 64 -1.048 -4.766 -15.423 1.00 10.20 C ATOM 973 CD1 LEU A 64 -0.992 -4.947 -16.931 1.00 5.32 C ATOM 974 CD2 LEU A 64 0.139 -5.447 -14.757 1.00 33.14 C ATOM 0 H LEU A 64 -2.778 -1.415 -13.832 1.00 74.44 H new ATOM 0 HA LEU A 64 -2.138 -2.221 -16.608 1.00 22.15 H new ATOM 0 HB2 LEU A 64 -0.183 -2.808 -15.457 1.00 34.34 H new ATOM 0 HB3 LEU A 64 -1.041 -3.188 -13.977 1.00 34.34 H new ATOM 0 HG LEU A 64 -1.962 -5.232 -15.056 1.00 10.20 H new ATOM 0 HD11 LEU A 64 -0.968 -6.010 -17.169 1.00 5.32 H new ATOM 0 HD12 LEU A 64 -1.873 -4.494 -17.385 1.00 5.32 H new ATOM 0 HD13 LEU A 64 -0.095 -4.467 -17.322 1.00 5.32 H new ATOM 0 HD21 LEU A 64 0.149 -6.504 -15.024 1.00 33.14 H new ATOM 0 HD22 LEU A 64 1.064 -4.979 -15.094 1.00 33.14 H new ATOM 0 HD23 LEU A 64 0.056 -5.347 -13.675 1.00 33.14 H new ATOM 986 N PHE A 65 -4.042 -3.794 -16.638 1.00 3.32 N ATOM 987 CA PHE A 65 -5.233 -4.633 -16.696 1.00 53.24 C ATOM 988 C PHE A 65 -4.957 -5.918 -17.472 1.00 4.43 C ATOM 989 O PHE A 65 -4.408 -5.885 -18.574 1.00 63.11 O ATOM 990 CB PHE A 65 -6.389 -3.870 -17.346 1.00 45.54 C ATOM 991 CG PHE A 65 -7.565 -4.739 -17.686 1.00 71.50 C ATOM 992 CD1 PHE A 65 -8.042 -5.670 -16.777 1.00 24.12 C ATOM 993 CD2 PHE A 65 -8.195 -4.626 -18.915 1.00 31.01 C ATOM 994 CE1 PHE A 65 -9.124 -6.472 -17.087 1.00 15.31 C ATOM 995 CE2 PHE A 65 -9.279 -5.425 -19.230 1.00 0.52 C ATOM 996 CZ PHE A 65 -9.743 -6.349 -18.315 1.00 43.10 C ATOM 0 H PHE A 65 -3.636 -3.575 -17.548 1.00 3.32 H new ATOM 0 HA PHE A 65 -5.510 -4.898 -15.676 1.00 53.24 H new ATOM 0 HB2 PHE A 65 -6.716 -3.078 -16.672 1.00 45.54 H new ATOM 0 HB3 PHE A 65 -6.030 -3.387 -18.255 1.00 45.54 H new ATOM 0 HD1 PHE A 65 -7.562 -5.770 -15.815 1.00 24.12 H new ATOM 0 HD2 PHE A 65 -7.835 -3.906 -19.635 1.00 31.01 H new ATOM 0 HE1 PHE A 65 -9.485 -7.194 -16.370 1.00 15.31 H new ATOM 0 HE2 PHE A 65 -9.762 -5.326 -20.191 1.00 0.52 H new ATOM 0 HZ PHE A 65 -10.589 -6.975 -18.559 1.00 43.10 H new ATOM 1006 N LEU A 66 -5.340 -7.047 -16.889 1.00 33.31 N ATOM 1007 CA LEU A 66 -5.134 -8.345 -17.524 1.00 0.13 C ATOM 1008 C LEU A 66 -6.467 -8.993 -17.883 1.00 23.11 C ATOM 1009 O LEU A 66 -7.384 -9.078 -17.067 1.00 11.13 O ATOM 1010 CB LEU A 66 -4.338 -9.267 -16.599 1.00 1.24 C ATOM 1011 CG LEU A 66 -2.903 -8.836 -16.293 1.00 70.33 C ATOM 1012 CD1 LEU A 66 -2.706 -8.657 -14.796 1.00 31.32 C ATOM 1013 CD2 LEU A 66 -1.912 -9.850 -16.845 1.00 40.04 C ATOM 0 H LEU A 66 -5.795 -7.091 -15.977 1.00 33.31 H new ATOM 0 HA LEU A 66 -4.569 -8.187 -18.443 1.00 0.13 H new ATOM 0 HB2 LEU A 66 -4.878 -9.357 -15.656 1.00 1.24 H new ATOM 0 HB3 LEU A 66 -4.310 -10.261 -17.046 1.00 1.24 H new ATOM 0 HG LEU A 66 -2.721 -7.878 -16.780 1.00 70.33 H new ATOM 0 HD11 LEU A 66 -1.679 -8.350 -14.598 1.00 31.32 H new ATOM 0 HD12 LEU A 66 -3.390 -7.893 -14.428 1.00 31.32 H new ATOM 0 HD13 LEU A 66 -2.907 -9.600 -14.287 1.00 31.32 H new ATOM 0 HD21 LEU A 66 -0.896 -9.527 -16.618 1.00 40.04 H new ATOM 0 HD22 LEU A 66 -2.094 -10.823 -16.388 1.00 40.04 H new ATOM 0 HD23 LEU A 66 -2.035 -9.928 -17.925 1.00 40.04 H new ATOM 1025 N PRO A 67 -6.577 -9.464 -19.134 1.00 51.13 N ATOM 1026 CA PRO A 67 -7.793 -10.116 -19.630 1.00 73.54 C ATOM 1027 C PRO A 67 -8.020 -11.482 -18.991 1.00 60.40 C ATOM 1028 O PRO A 67 -9.153 -11.858 -18.693 1.00 53.32 O ATOM 1029 CB PRO A 67 -7.529 -10.265 -21.131 1.00 13.21 C ATOM 1030 CG PRO A 67 -6.045 -10.289 -21.254 1.00 21.45 C ATOM 1031 CD PRO A 67 -5.525 -9.397 -20.162 1.00 1.45 C ATOM 0 HA PRO A 67 -8.688 -9.540 -19.396 1.00 73.54 H new ATOM 0 HB2 PRO A 67 -7.973 -11.180 -21.522 1.00 13.21 H new ATOM 0 HB3 PRO A 67 -7.959 -9.436 -21.693 1.00 13.21 H new ATOM 0 HG2 PRO A 67 -5.661 -11.303 -21.146 1.00 21.45 H new ATOM 0 HG3 PRO A 67 -5.729 -9.931 -22.234 1.00 21.45 H new ATOM 0 HD2 PRO A 67 -4.567 -9.748 -19.779 1.00 1.45 H new ATOM 0 HD3 PRO A 67 -5.373 -8.377 -20.515 1.00 1.45 H new ATOM 1039 N ALA A 68 -6.935 -12.221 -18.782 1.00 72.03 N ATOM 1040 CA ALA A 68 -7.016 -13.544 -18.177 1.00 11.41 C ATOM 1041 C ALA A 68 -5.637 -14.038 -17.752 1.00 14.24 C ATOM 1042 O ALA A 68 -4.851 -14.500 -18.577 1.00 64.33 O ATOM 1043 CB ALA A 68 -7.657 -14.528 -19.142 1.00 65.44 C ATOM 0 H ALA A 68 -5.989 -11.925 -19.023 1.00 72.03 H new ATOM 0 HA ALA A 68 -7.638 -13.471 -17.285 1.00 11.41 H new ATOM 0 HB1 ALA A 68 -7.711 -15.512 -18.676 1.00 65.44 H new ATOM 0 HB2 ALA A 68 -8.662 -14.190 -19.392 1.00 65.44 H new ATOM 0 HB3 ALA A 68 -7.058 -14.589 -20.051 1.00 65.44 H new ATOM 1049 N VAL A 69 -5.350 -13.937 -16.457 1.00 60.33 N ATOM 1050 CA VAL A 69 -4.066 -14.374 -15.923 1.00 34.23 C ATOM 1051 C VAL A 69 -3.979 -15.895 -15.879 1.00 20.42 C ATOM 1052 O VAL A 69 -4.744 -16.552 -15.174 1.00 12.55 O ATOM 1053 CB VAL A 69 -3.829 -13.816 -14.506 1.00 63.22 C ATOM 1054 CG1 VAL A 69 -3.597 -12.314 -14.557 1.00 30.15 C ATOM 1055 CG2 VAL A 69 -5.002 -14.153 -13.598 1.00 3.42 C ATOM 0 H VAL A 69 -5.990 -13.556 -15.759 1.00 60.33 H new ATOM 0 HA VAL A 69 -3.296 -13.988 -16.591 1.00 34.23 H new ATOM 0 HB VAL A 69 -2.935 -14.284 -14.094 1.00 63.22 H new ATOM 0 HG11 VAL A 69 -3.431 -11.937 -13.548 1.00 30.15 H new ATOM 0 HG12 VAL A 69 -2.722 -12.102 -15.172 1.00 30.15 H new ATOM 0 HG13 VAL A 69 -4.471 -11.825 -14.988 1.00 30.15 H new ATOM 0 HG21 VAL A 69 -4.818 -13.751 -12.602 1.00 3.42 H new ATOM 0 HG22 VAL A 69 -5.914 -13.714 -14.003 1.00 3.42 H new ATOM 0 HG23 VAL A 69 -5.116 -15.235 -13.538 1.00 3.42 H new ATOM 1065 N GLY A 70 -3.040 -16.452 -16.639 1.00 15.54 N ATOM 1066 CA GLY A 70 -2.869 -17.892 -16.672 1.00 11.42 C ATOM 1067 C GLY A 70 -1.897 -18.385 -15.619 1.00 2.33 C ATOM 1068 O GLY A 70 -1.143 -17.599 -15.044 1.00 53.31 O ATOM 0 H GLY A 70 -2.395 -15.931 -17.232 1.00 15.54 H new ATOM 0 HA2 GLY A 70 -3.836 -18.373 -16.523 1.00 11.42 H new ATOM 0 HA3 GLY A 70 -2.513 -18.190 -17.658 1.00 11.42 H new ATOM 1072 N ILE A 71 -1.913 -19.689 -15.364 1.00 73.51 N ATOM 1073 CA ILE A 71 -1.027 -20.285 -14.373 1.00 11.41 C ATOM 1074 C ILE A 71 0.431 -19.942 -14.663 1.00 13.30 C ATOM 1075 O ILE A 71 1.250 -19.857 -13.749 1.00 5.24 O ATOM 1076 CB ILE A 71 -1.183 -21.816 -14.326 1.00 64.22 C ATOM 1077 CG1 ILE A 71 -1.065 -22.320 -12.886 1.00 51.50 C ATOM 1078 CG2 ILE A 71 -0.140 -22.482 -15.212 1.00 72.31 C ATOM 1079 CD1 ILE A 71 -0.342 -23.642 -12.765 1.00 33.32 C ATOM 0 H ILE A 71 -2.531 -20.353 -15.831 1.00 73.51 H new ATOM 0 HA ILE A 71 -1.311 -19.870 -13.406 1.00 11.41 H new ATOM 0 HB ILE A 71 -2.172 -22.076 -14.702 1.00 64.22 H new ATOM 0 HG12 ILE A 71 -0.541 -21.573 -12.290 1.00 51.50 H new ATOM 0 HG13 ILE A 71 -2.064 -22.422 -12.462 1.00 51.50 H new ATOM 0 HG21 ILE A 71 -0.263 -23.564 -15.168 1.00 72.31 H new ATOM 0 HG22 ILE A 71 -0.267 -22.144 -16.240 1.00 72.31 H new ATOM 0 HG23 ILE A 71 0.858 -22.216 -14.863 1.00 72.31 H new ATOM 0 HD11 ILE A 71 -0.296 -23.937 -11.717 1.00 33.32 H new ATOM 0 HD12 ILE A 71 -0.877 -24.403 -13.333 1.00 33.32 H new ATOM 0 HD13 ILE A 71 0.670 -23.541 -13.158 1.00 33.32 H new ATOM 1091 N GLN A 72 0.744 -19.745 -15.939 1.00 51.13 N ATOM 1092 CA GLN A 72 2.103 -19.409 -16.348 1.00 2.05 C ATOM 1093 C GLN A 72 2.429 -17.957 -16.016 1.00 64.55 C ATOM 1094 O GLN A 72 3.595 -17.591 -15.867 1.00 53.14 O ATOM 1095 CB GLN A 72 2.282 -19.656 -17.847 1.00 62.14 C ATOM 1096 CG GLN A 72 2.011 -21.093 -18.265 1.00 13.51 C ATOM 1097 CD GLN A 72 1.610 -21.211 -19.721 1.00 10.14 C ATOM 1098 OE1 GLN A 72 0.626 -21.872 -20.054 1.00 74.40 O ATOM 1099 NE2 GLN A 72 2.371 -20.569 -20.600 1.00 31.22 N ATOM 0 H GLN A 72 0.076 -19.812 -16.707 1.00 51.13 H new ATOM 0 HA GLN A 72 2.791 -20.050 -15.797 1.00 2.05 H new ATOM 0 HB2 GLN A 72 1.614 -18.994 -18.398 1.00 62.14 H new ATOM 0 HB3 GLN A 72 3.300 -19.390 -18.131 1.00 62.14 H new ATOM 0 HG2 GLN A 72 2.903 -21.693 -18.088 1.00 13.51 H new ATOM 0 HG3 GLN A 72 1.220 -21.506 -17.640 1.00 13.51 H new ATOM 0 HE21 GLN A 72 3.178 -20.033 -20.280 1.00 31.22 H new ATOM 0 HE22 GLN A 72 2.149 -20.612 -21.595 1.00 31.22 H new ATOM 1108 N ASP A 73 1.391 -17.134 -15.905 1.00 5.31 N ATOM 1109 CA ASP A 73 1.567 -15.721 -15.590 1.00 40.43 C ATOM 1110 C ASP A 73 1.756 -15.517 -14.091 1.00 11.54 C ATOM 1111 O ASP A 73 1.991 -14.400 -13.632 1.00 51.31 O ATOM 1112 CB ASP A 73 0.364 -14.915 -16.079 1.00 74.05 C ATOM 1113 CG ASP A 73 0.595 -14.299 -17.445 1.00 23.41 C ATOM 1114 OD1 ASP A 73 1.044 -15.027 -18.356 1.00 52.41 O ATOM 1115 OD2 ASP A 73 0.326 -13.091 -17.605 1.00 54.13 O ATOM 0 H ASP A 73 0.420 -17.421 -16.028 1.00 5.31 H new ATOM 0 HA ASP A 73 2.463 -15.369 -16.101 1.00 40.43 H new ATOM 0 HB2 ASP A 73 -0.511 -15.563 -16.120 1.00 74.05 H new ATOM 0 HB3 ASP A 73 0.143 -14.126 -15.361 1.00 74.05 H new ATOM 1120 N GLU A 74 1.652 -16.604 -13.332 1.00 73.34 N ATOM 1121 CA GLU A 74 1.810 -16.543 -11.884 1.00 72.02 C ATOM 1122 C GLU A 74 3.180 -15.987 -11.509 1.00 44.41 C ATOM 1123 O GLU A 74 4.183 -16.288 -12.155 1.00 35.02 O ATOM 1124 CB GLU A 74 1.627 -17.933 -11.270 1.00 54.35 C ATOM 1125 CG GLU A 74 2.800 -18.865 -11.514 1.00 24.51 C ATOM 1126 CD GLU A 74 2.657 -20.189 -10.786 1.00 54.41 C ATOM 1127 OE1 GLU A 74 1.510 -20.664 -10.644 1.00 22.22 O ATOM 1128 OE2 GLU A 74 3.688 -20.747 -10.359 1.00 53.11 O ATOM 0 H GLU A 74 1.459 -17.537 -13.696 1.00 73.34 H new ATOM 0 HA GLU A 74 1.045 -15.875 -11.489 1.00 72.02 H new ATOM 0 HB2 GLU A 74 1.474 -17.829 -10.196 1.00 54.35 H new ATOM 0 HB3 GLU A 74 0.723 -18.385 -11.679 1.00 54.35 H new ATOM 0 HG2 GLU A 74 2.894 -19.052 -12.584 1.00 24.51 H new ATOM 0 HG3 GLU A 74 3.720 -18.376 -11.193 1.00 24.51 H new ATOM 1135 N GLY A 75 3.213 -15.169 -10.461 1.00 2.13 N ATOM 1136 CA GLY A 75 4.465 -14.582 -10.018 1.00 51.52 C ATOM 1137 C GLY A 75 4.263 -13.265 -9.294 1.00 31.10 C ATOM 1138 O GLY A 75 3.319 -13.115 -8.518 1.00 0.14 O ATOM 0 H GLY A 75 2.396 -14.902 -9.911 1.00 2.13 H new ATOM 0 HA2 GLY A 75 4.977 -15.282 -9.357 1.00 51.52 H new ATOM 0 HA3 GLY A 75 5.114 -14.424 -10.880 1.00 51.52 H new ATOM 1142 N ILE A 76 5.151 -12.310 -9.548 1.00 25.22 N ATOM 1143 CA ILE A 76 5.066 -11.000 -8.914 1.00 34.31 C ATOM 1144 C ILE A 76 5.169 -9.883 -9.946 1.00 53.50 C ATOM 1145 O ILE A 76 6.045 -9.900 -10.811 1.00 34.10 O ATOM 1146 CB ILE A 76 6.173 -10.813 -7.858 1.00 73.45 C ATOM 1147 CG1 ILE A 76 6.346 -12.091 -7.037 1.00 30.43 C ATOM 1148 CG2 ILE A 76 5.846 -9.635 -6.953 1.00 54.14 C ATOM 1149 CD1 ILE A 76 7.399 -13.027 -7.589 1.00 43.42 C ATOM 0 H ILE A 76 5.938 -12.419 -10.188 1.00 25.22 H new ATOM 0 HA ILE A 76 4.094 -10.949 -8.423 1.00 34.31 H new ATOM 0 HB ILE A 76 7.112 -10.604 -8.370 1.00 73.45 H new ATOM 0 HG12 ILE A 76 6.610 -11.823 -6.014 1.00 30.43 H new ATOM 0 HG13 ILE A 76 5.392 -12.616 -6.992 1.00 30.43 H new ATOM 0 HG21 ILE A 76 6.636 -9.515 -6.212 1.00 54.14 H new ATOM 0 HG22 ILE A 76 5.768 -8.727 -7.551 1.00 54.14 H new ATOM 0 HG23 ILE A 76 4.898 -9.818 -6.446 1.00 54.14 H new ATOM 0 HD11 ILE A 76 7.467 -13.912 -6.956 1.00 43.42 H new ATOM 0 HD12 ILE A 76 7.126 -13.325 -8.601 1.00 43.42 H new ATOM 0 HD13 ILE A 76 8.363 -12.519 -7.608 1.00 43.42 H new ATOM 1161 N PHE A 77 4.268 -8.909 -9.847 1.00 24.43 N ATOM 1162 CA PHE A 77 4.258 -7.782 -10.772 1.00 22.32 C ATOM 1163 C PHE A 77 4.889 -6.548 -10.133 1.00 31.35 C ATOM 1164 O PHE A 77 4.735 -6.310 -8.935 1.00 52.53 O ATOM 1165 CB PHE A 77 2.826 -7.467 -11.209 1.00 73.23 C ATOM 1166 CG PHE A 77 2.173 -8.583 -11.973 1.00 51.24 C ATOM 1167 CD1 PHE A 77 1.852 -9.776 -11.346 1.00 3.44 C ATOM 1168 CD2 PHE A 77 1.880 -8.440 -13.320 1.00 51.41 C ATOM 1169 CE1 PHE A 77 1.252 -10.804 -12.047 1.00 63.02 C ATOM 1170 CE2 PHE A 77 1.280 -9.464 -14.026 1.00 70.34 C ATOM 1171 CZ PHE A 77 0.965 -10.649 -13.388 1.00 50.45 C ATOM 0 H PHE A 77 3.537 -8.878 -9.136 1.00 24.43 H new ATOM 0 HA PHE A 77 4.846 -8.057 -11.647 1.00 22.32 H new ATOM 0 HB2 PHE A 77 2.227 -7.242 -10.327 1.00 73.23 H new ATOM 0 HB3 PHE A 77 2.832 -6.569 -11.827 1.00 73.23 H new ATOM 0 HD1 PHE A 77 2.073 -9.904 -10.297 1.00 3.44 H new ATOM 0 HD2 PHE A 77 2.124 -7.516 -13.824 1.00 51.41 H new ATOM 0 HE1 PHE A 77 1.008 -11.729 -11.546 1.00 63.02 H new ATOM 0 HE2 PHE A 77 1.057 -9.339 -15.075 1.00 70.34 H new ATOM 0 HZ PHE A 77 0.495 -11.452 -13.937 1.00 50.45 H new ATOM 1181 N ARG A 78 5.601 -5.770 -10.941 1.00 12.44 N ATOM 1182 CA ARG A 78 6.259 -4.563 -10.455 1.00 54.35 C ATOM 1183 C ARG A 78 5.888 -3.358 -11.316 1.00 72.41 C ATOM 1184 O ARG A 78 5.670 -3.487 -12.521 1.00 50.53 O ATOM 1185 CB ARG A 78 7.777 -4.750 -10.447 1.00 62.21 C ATOM 1186 CG ARG A 78 8.220 -6.102 -9.915 1.00 24.32 C ATOM 1187 CD ARG A 78 8.572 -7.058 -11.045 1.00 43.32 C ATOM 1188 NE ARG A 78 9.786 -7.819 -10.761 1.00 10.21 N ATOM 1189 CZ ARG A 78 10.516 -8.415 -11.697 1.00 72.52 C ATOM 1190 NH1 ARG A 78 10.157 -8.338 -12.971 1.00 53.31 N ATOM 1191 NH2 ARG A 78 11.607 -9.089 -11.359 1.00 65.51 N ATOM 0 H ARG A 78 5.737 -5.954 -11.935 1.00 12.44 H new ATOM 0 HA ARG A 78 5.918 -4.379 -9.436 1.00 54.35 H new ATOM 0 HB2 ARG A 78 8.155 -4.626 -11.462 1.00 62.21 H new ATOM 0 HB3 ARG A 78 8.228 -3.965 -9.841 1.00 62.21 H new ATOM 0 HG2 ARG A 78 9.085 -5.972 -9.264 1.00 24.32 H new ATOM 0 HG3 ARG A 78 7.425 -6.533 -9.307 1.00 24.32 H new ATOM 0 HD2 ARG A 78 7.743 -7.746 -11.209 1.00 43.32 H new ATOM 0 HD3 ARG A 78 8.705 -6.494 -11.968 1.00 43.32 H new ATOM 0 HE ARG A 78 10.090 -7.897 -9.790 1.00 10.21 H new ATOM 0 HH11 ARG A 78 9.319 -7.820 -13.234 1.00 53.31 H new ATOM 0 HH12 ARG A 78 10.719 -8.797 -13.688 1.00 53.31 H new ATOM 0 HH21 ARG A 78 11.886 -9.150 -10.380 1.00 65.51 H new ATOM 0 HH22 ARG A 78 12.167 -9.546 -12.078 1.00 65.51 H new ATOM 1205 N CYS A 79 5.818 -2.188 -10.689 1.00 31.31 N ATOM 1206 CA CYS A 79 5.474 -0.961 -11.396 1.00 74.02 C ATOM 1207 C CYS A 79 6.517 0.123 -11.144 1.00 53.05 C ATOM 1208 O CYS A 79 7.152 0.154 -10.090 1.00 60.31 O ATOM 1209 CB CYS A 79 4.093 -0.467 -10.960 1.00 11.41 C ATOM 1210 SG CYS A 79 2.838 -0.507 -12.279 1.00 73.24 S ATOM 0 H CYS A 79 5.995 -2.065 -9.692 1.00 31.31 H new ATOM 0 HA CYS A 79 5.454 -1.180 -12.464 1.00 74.02 H new ATOM 0 HB2 CYS A 79 3.747 -1.078 -10.126 1.00 11.41 H new ATOM 0 HB3 CYS A 79 4.184 0.555 -10.591 1.00 11.41 H new ATOM 1215 N GLN A 80 6.687 1.011 -12.118 1.00 64.41 N ATOM 1216 CA GLN A 80 7.654 2.096 -12.002 1.00 41.30 C ATOM 1217 C GLN A 80 7.080 3.397 -12.553 1.00 4.21 C ATOM 1218 O GLN A 80 6.580 3.440 -13.677 1.00 3.14 O ATOM 1219 CB GLN A 80 8.945 1.740 -12.742 1.00 61.04 C ATOM 1220 CG GLN A 80 9.514 2.889 -13.560 1.00 34.42 C ATOM 1221 CD GLN A 80 10.851 2.551 -14.188 1.00 62.42 C ATOM 1222 OE1 GLN A 80 11.053 2.742 -15.388 1.00 14.33 O ATOM 1223 NE2 GLN A 80 11.774 2.046 -13.379 1.00 23.42 N ATOM 0 H GLN A 80 6.168 1.000 -12.996 1.00 64.41 H new ATOM 0 HA GLN A 80 7.878 2.238 -10.945 1.00 41.30 H new ATOM 0 HB2 GLN A 80 9.692 1.416 -12.017 1.00 61.04 H new ATOM 0 HB3 GLN A 80 8.754 0.894 -13.403 1.00 61.04 H new ATOM 0 HG2 GLN A 80 8.806 3.157 -14.344 1.00 34.42 H new ATOM 0 HG3 GLN A 80 9.628 3.764 -12.920 1.00 34.42 H new ATOM 0 HE21 GLN A 80 11.564 1.904 -12.391 1.00 23.42 H new ATOM 0 HE22 GLN A 80 12.694 1.800 -13.745 1.00 23.42 H new ATOM 1232 N ALA A 81 7.156 4.456 -11.754 1.00 50.13 N ATOM 1233 CA ALA A 81 6.645 5.760 -12.162 1.00 25.50 C ATOM 1234 C ALA A 81 7.673 6.857 -11.905 1.00 14.31 C ATOM 1235 O ALA A 81 8.618 6.667 -11.140 1.00 43.54 O ATOM 1236 CB ALA A 81 5.345 6.069 -11.434 1.00 63.55 C ATOM 0 H ALA A 81 7.566 4.437 -10.820 1.00 50.13 H new ATOM 0 HA ALA A 81 6.448 5.727 -13.234 1.00 25.50 H new ATOM 0 HB1 ALA A 81 4.975 7.045 -11.748 1.00 63.55 H new ATOM 0 HB2 ALA A 81 4.604 5.306 -11.673 1.00 63.55 H new ATOM 0 HB3 ALA A 81 5.523 6.078 -10.359 1.00 63.55 H new ATOM 1242 N MET A 82 7.479 8.004 -12.546 1.00 5.53 N ATOM 1243 CA MET A 82 8.390 9.132 -12.386 1.00 14.43 C ATOM 1244 C MET A 82 7.620 10.412 -12.074 1.00 72.43 C ATOM 1245 O MET A 82 6.719 10.800 -12.817 1.00 14.43 O ATOM 1246 CB MET A 82 9.228 9.322 -13.650 1.00 4.55 C ATOM 1247 CG MET A 82 10.104 10.565 -13.617 1.00 72.01 C ATOM 1248 SD MET A 82 11.814 10.222 -14.074 1.00 23.12 S ATOM 1249 CE MET A 82 12.337 9.211 -12.692 1.00 25.14 C ATOM 0 H MET A 82 6.700 8.178 -13.181 1.00 5.53 H new ATOM 0 HA MET A 82 9.054 8.915 -11.549 1.00 14.43 H new ATOM 0 HB2 MET A 82 9.860 8.446 -13.792 1.00 4.55 H new ATOM 0 HB3 MET A 82 8.563 9.379 -14.512 1.00 4.55 H new ATOM 0 HG2 MET A 82 9.693 11.312 -14.296 1.00 72.01 H new ATOM 0 HG3 MET A 82 10.079 10.996 -12.616 1.00 72.01 H new ATOM 0 HE1 MET A 82 13.392 9.392 -12.488 1.00 25.14 H new ATOM 0 HE2 MET A 82 11.748 9.466 -11.811 1.00 25.14 H new ATOM 0 HE3 MET A 82 12.189 8.159 -12.935 1.00 25.14 H new ATOM 1259 N ASN A 83 7.981 11.062 -10.974 1.00 14.43 N ATOM 1260 CA ASN A 83 7.323 12.297 -10.565 1.00 53.42 C ATOM 1261 C ASN A 83 8.021 13.512 -11.170 1.00 23.24 C ATOM 1262 O ASN A 83 9.078 13.388 -11.788 1.00 44.15 O ATOM 1263 CB ASN A 83 7.308 12.412 -9.039 1.00 60.33 C ATOM 1264 CG ASN A 83 6.133 11.685 -8.416 1.00 32.40 C ATOM 1265 OD1 ASN A 83 5.115 12.294 -8.086 1.00 62.14 O ATOM 1266 ND2 ASN A 83 6.268 10.374 -8.252 1.00 73.53 N ATOM 0 H ASN A 83 8.726 10.754 -10.349 1.00 14.43 H new ATOM 0 HA ASN A 83 6.297 12.269 -10.931 1.00 53.42 H new ATOM 0 HB2 ASN A 83 8.237 12.006 -8.638 1.00 60.33 H new ATOM 0 HB3 ASN A 83 7.272 13.464 -8.757 1.00 60.33 H new ATOM 0 HD21 ASN A 83 5.510 9.831 -7.838 1.00 73.53 H new ATOM 0 HD22 ASN A 83 7.130 9.910 -8.540 1.00 73.53 H new ATOM 1273 N ARG A 84 7.423 14.685 -10.986 1.00 33.41 N ATOM 1274 CA ARG A 84 7.987 15.921 -11.514 1.00 62.01 C ATOM 1275 C ARG A 84 9.243 16.317 -10.745 1.00 4.12 C ATOM 1276 O ARG A 84 10.056 17.105 -11.228 1.00 32.42 O ATOM 1277 CB ARG A 84 6.955 17.048 -11.442 1.00 64.12 C ATOM 1278 CG ARG A 84 6.603 17.462 -10.024 1.00 12.42 C ATOM 1279 CD ARG A 84 5.237 18.126 -9.960 1.00 54.14 C ATOM 1280 NE ARG A 84 4.813 18.378 -8.585 1.00 33.15 N ATOM 1281 CZ ARG A 84 3.577 18.731 -8.250 1.00 12.03 C ATOM 1282 NH1 ARG A 84 2.648 18.872 -9.184 1.00 42.23 N ATOM 1283 NH2 ARG A 84 3.269 18.941 -6.976 1.00 14.51 N ATOM 0 H ARG A 84 6.548 14.805 -10.475 1.00 33.41 H new ATOM 0 HA ARG A 84 8.258 15.752 -12.556 1.00 62.01 H new ATOM 0 HB2 ARG A 84 7.338 17.915 -11.980 1.00 64.12 H new ATOM 0 HB3 ARG A 84 6.047 16.731 -11.955 1.00 64.12 H new ATOM 0 HG2 ARG A 84 6.614 16.586 -9.375 1.00 12.42 H new ATOM 0 HG3 ARG A 84 7.360 18.148 -9.646 1.00 12.42 H new ATOM 0 HD2 ARG A 84 5.266 19.068 -10.508 1.00 54.14 H new ATOM 0 HD3 ARG A 84 4.502 17.491 -10.455 1.00 54.14 H new ATOM 0 HE ARG A 84 5.504 18.277 -7.841 1.00 33.15 H new ATOM 0 HH11 ARG A 84 2.881 18.709 -10.164 1.00 42.23 H new ATOM 0 HH12 ARG A 84 1.700 19.143 -8.923 1.00 42.23 H new ATOM 0 HH21 ARG A 84 3.981 18.831 -6.254 1.00 14.51 H new ATOM 0 HH22 ARG A 84 2.320 19.212 -6.719 1.00 14.51 H new ATOM 1297 N ASN A 85 9.394 15.766 -9.544 1.00 45.41 N ATOM 1298 CA ASN A 85 10.552 16.064 -8.708 1.00 14.34 C ATOM 1299 C ASN A 85 11.802 15.372 -9.242 1.00 73.55 C ATOM 1300 O ASN A 85 12.925 15.767 -8.931 1.00 53.43 O ATOM 1301 CB ASN A 85 10.290 15.626 -7.265 1.00 61.32 C ATOM 1302 CG ASN A 85 9.292 16.523 -6.560 1.00 50.23 C ATOM 1303 OD1 ASN A 85 8.196 16.091 -6.203 1.00 63.14 O ATOM 1304 ND2 ASN A 85 9.668 17.781 -6.357 1.00 63.21 N ATOM 0 H ASN A 85 8.730 15.112 -9.129 1.00 45.41 H new ATOM 0 HA ASN A 85 10.718 17.141 -8.730 1.00 14.34 H new ATOM 0 HB2 ASN A 85 9.919 14.601 -7.261 1.00 61.32 H new ATOM 0 HB3 ASN A 85 11.229 15.627 -6.712 1.00 61.32 H new ATOM 0 HD21 ASN A 85 9.038 18.432 -5.888 1.00 63.21 H new ATOM 0 HD22 ASN A 85 10.586 18.096 -6.670 1.00 63.21 H new ATOM 1311 N GLY A 86 11.598 14.336 -10.051 1.00 20.25 N ATOM 1312 CA GLY A 86 12.718 13.606 -10.617 1.00 51.13 C ATOM 1313 C GLY A 86 12.875 12.226 -10.011 1.00 24.15 C ATOM 1314 O GLY A 86 13.585 11.378 -10.553 1.00 10.44 O ATOM 0 H GLY A 86 10.678 13.990 -10.324 1.00 20.25 H new ATOM 0 HA2 GLY A 86 12.580 13.513 -11.694 1.00 51.13 H new ATOM 0 HA3 GLY A 86 13.635 14.175 -10.461 1.00 51.13 H new ATOM 1318 N LYS A 87 12.214 11.998 -8.881 1.00 71.02 N ATOM 1319 CA LYS A 87 12.283 10.712 -8.199 1.00 34.12 C ATOM 1320 C LYS A 87 11.269 9.732 -8.780 1.00 52.12 C ATOM 1321 O LYS A 87 10.184 10.127 -9.205 1.00 44.31 O ATOM 1322 CB LYS A 87 12.033 10.892 -6.700 1.00 12.03 C ATOM 1323 CG LYS A 87 12.974 11.886 -6.041 1.00 34.11 C ATOM 1324 CD LYS A 87 14.306 11.245 -5.690 1.00 72.03 C ATOM 1325 CE LYS A 87 15.398 12.289 -5.515 1.00 62.14 C ATOM 1326 NZ LYS A 87 16.540 11.767 -4.715 1.00 31.12 N ATOM 0 H LYS A 87 11.624 12.689 -8.418 1.00 71.02 H new ATOM 0 HA LYS A 87 13.283 10.304 -8.348 1.00 34.12 H new ATOM 0 HB2 LYS A 87 11.005 11.222 -6.549 1.00 12.03 H new ATOM 0 HB3 LYS A 87 12.134 9.926 -6.205 1.00 12.03 H new ATOM 0 HG2 LYS A 87 13.141 12.730 -6.711 1.00 34.11 H new ATOM 0 HG3 LYS A 87 12.511 12.283 -5.138 1.00 34.11 H new ATOM 0 HD2 LYS A 87 14.202 10.668 -4.771 1.00 72.03 H new ATOM 0 HD3 LYS A 87 14.592 10.545 -6.475 1.00 72.03 H new ATOM 0 HE2 LYS A 87 15.756 12.608 -6.494 1.00 62.14 H new ATOM 0 HE3 LYS A 87 14.983 13.170 -5.025 1.00 62.14 H new ATOM 0 HZ1 LYS A 87 17.263 12.508 -4.618 1.00 31.12 H new ATOM 0 HZ2 LYS A 87 16.203 11.486 -3.772 1.00 31.12 H new ATOM 0 HZ3 LYS A 87 16.952 10.942 -5.196 1.00 31.12 H new ATOM 1340 N GLU A 88 11.629 8.452 -8.793 1.00 64.04 N ATOM 1341 CA GLU A 88 10.749 7.417 -9.322 1.00 62.34 C ATOM 1342 C GLU A 88 10.137 6.594 -8.193 1.00 55.11 C ATOM 1343 O GLU A 88 10.779 6.344 -7.172 1.00 11.52 O ATOM 1344 CB GLU A 88 11.519 6.501 -10.277 1.00 73.30 C ATOM 1345 CG GLU A 88 12.270 5.382 -9.574 1.00 55.44 C ATOM 1346 CD GLU A 88 13.312 5.901 -8.602 1.00 42.20 C ATOM 1347 OE1 GLU A 88 13.934 6.942 -8.901 1.00 3.51 O ATOM 1348 OE2 GLU A 88 13.507 5.267 -7.545 1.00 14.11 O ATOM 0 H GLU A 88 12.523 8.108 -8.443 1.00 64.04 H new ATOM 0 HA GLU A 88 9.943 7.906 -9.870 1.00 62.34 H new ATOM 0 HB2 GLU A 88 10.820 6.065 -10.992 1.00 73.30 H new ATOM 0 HB3 GLU A 88 12.228 7.100 -10.849 1.00 73.30 H new ATOM 0 HG2 GLU A 88 11.559 4.753 -9.038 1.00 55.44 H new ATOM 0 HG3 GLU A 88 12.755 4.751 -10.319 1.00 55.44 H new ATOM 1355 N THR A 89 8.889 6.175 -8.383 1.00 23.22 N ATOM 1356 CA THR A 89 8.189 5.381 -7.381 1.00 13.32 C ATOM 1357 C THR A 89 8.126 3.914 -7.787 1.00 34.22 C ATOM 1358 O THR A 89 7.771 3.586 -8.920 1.00 3.25 O ATOM 1359 CB THR A 89 6.757 5.901 -7.154 1.00 1.11 C ATOM 1360 OG1 THR A 89 6.673 7.282 -7.525 1.00 53.11 O ATOM 1361 CG2 THR A 89 6.346 5.736 -5.698 1.00 71.43 C ATOM 0 H THR A 89 8.343 6.373 -9.222 1.00 23.22 H new ATOM 0 HA THR A 89 8.754 5.474 -6.453 1.00 13.32 H new ATOM 0 HB THR A 89 6.079 5.316 -7.775 1.00 1.11 H new ATOM 0 HG1 THR A 89 6.250 7.790 -6.801 1.00 53.11 H new ATOM 0 HG21 THR A 89 5.331 6.110 -5.562 1.00 71.43 H new ATOM 0 HG22 THR A 89 6.383 4.681 -5.427 1.00 71.43 H new ATOM 0 HG23 THR A 89 7.029 6.299 -5.061 1.00 71.43 H new ATOM 1369 N LYS A 90 8.471 3.031 -6.855 1.00 43.33 N ATOM 1370 CA LYS A 90 8.452 1.597 -7.115 1.00 13.35 C ATOM 1371 C LYS A 90 7.272 0.932 -6.413 1.00 42.32 C ATOM 1372 O LYS A 90 6.885 1.332 -5.314 1.00 43.23 O ATOM 1373 CB LYS A 90 9.762 0.956 -6.648 1.00 61.04 C ATOM 1374 CG LYS A 90 10.973 1.397 -7.451 1.00 5.00 C ATOM 1375 CD LYS A 90 11.977 2.139 -6.583 1.00 63.04 C ATOM 1376 CE LYS A 90 11.360 3.380 -5.956 1.00 24.22 C ATOM 1377 NZ LYS A 90 12.373 4.195 -5.228 1.00 30.20 N ATOM 0 H LYS A 90 8.767 3.284 -5.912 1.00 43.33 H new ATOM 0 HA LYS A 90 8.344 1.450 -8.190 1.00 13.35 H new ATOM 0 HB2 LYS A 90 9.923 1.201 -5.598 1.00 61.04 H new ATOM 0 HB3 LYS A 90 9.669 -0.128 -6.711 1.00 61.04 H new ATOM 0 HG2 LYS A 90 11.451 0.526 -7.898 1.00 5.00 H new ATOM 0 HG3 LYS A 90 10.653 2.041 -8.270 1.00 5.00 H new ATOM 0 HD2 LYS A 90 12.341 1.476 -5.798 1.00 63.04 H new ATOM 0 HD3 LYS A 90 12.840 2.424 -7.185 1.00 63.04 H new ATOM 0 HE2 LYS A 90 10.896 3.987 -6.733 1.00 24.22 H new ATOM 0 HE3 LYS A 90 10.569 3.084 -5.267 1.00 24.22 H new ATOM 0 HZ1 LYS A 90 11.891 4.856 -4.586 1.00 30.20 H new ATOM 0 HZ2 LYS A 90 12.993 3.567 -4.677 1.00 30.20 H new ATOM 0 HZ3 LYS A 90 12.943 4.732 -5.912 1.00 30.20 H new ATOM 1391 N SER A 91 6.704 -0.084 -7.055 1.00 14.21 N ATOM 1392 CA SER A 91 5.565 -0.802 -6.493 1.00 51.54 C ATOM 1393 C SER A 91 5.626 -2.283 -6.852 1.00 5.21 C ATOM 1394 O SER A 91 5.760 -2.644 -8.020 1.00 71.33 O ATOM 1395 CB SER A 91 4.254 -0.196 -6.998 1.00 31.53 C ATOM 1396 OG SER A 91 4.092 1.132 -6.532 1.00 23.10 O ATOM 0 H SER A 91 7.013 -0.429 -7.964 1.00 14.21 H new ATOM 0 HA SER A 91 5.606 -0.707 -5.408 1.00 51.54 H new ATOM 0 HB2 SER A 91 4.241 -0.206 -8.088 1.00 31.53 H new ATOM 0 HB3 SER A 91 3.415 -0.807 -6.664 1.00 31.53 H new ATOM 0 HG SER A 91 4.263 1.759 -7.265 1.00 23.10 H new ATOM 1402 N ASN A 92 5.528 -3.136 -5.838 1.00 20.21 N ATOM 1403 CA ASN A 92 5.573 -4.579 -6.045 1.00 50.15 C ATOM 1404 C ASN A 92 4.275 -5.235 -5.584 1.00 24.32 C ATOM 1405 O ASN A 92 3.832 -5.032 -4.454 1.00 32.13 O ATOM 1406 CB ASN A 92 6.759 -5.186 -5.295 1.00 4.15 C ATOM 1407 CG ASN A 92 6.977 -6.647 -5.642 1.00 3.52 C ATOM 1408 OD1 ASN A 92 6.706 -7.534 -4.834 1.00 34.43 O ATOM 1409 ND2 ASN A 92 7.469 -6.900 -6.848 1.00 24.24 N ATOM 0 H ASN A 92 5.417 -2.853 -4.864 1.00 20.21 H new ATOM 0 HA ASN A 92 5.694 -4.764 -7.112 1.00 50.15 H new ATOM 0 HB2 ASN A 92 7.661 -4.621 -5.530 1.00 4.15 H new ATOM 0 HB3 ASN A 92 6.594 -5.091 -4.222 1.00 4.15 H new ATOM 0 HD21 ASN A 92 7.637 -7.863 -7.138 1.00 24.24 H new ATOM 0 HD22 ASN A 92 7.679 -6.131 -7.485 1.00 24.24 H new ATOM 1416 N TYR A 93 3.671 -6.023 -6.466 1.00 64.05 N ATOM 1417 CA TYR A 93 2.424 -6.708 -6.152 1.00 32.11 C ATOM 1418 C TYR A 93 2.525 -8.198 -6.468 1.00 14.33 C ATOM 1419 O TYR A 93 2.728 -8.587 -7.618 1.00 33.04 O ATOM 1420 CB TYR A 93 1.264 -6.088 -6.933 1.00 2.52 C ATOM 1421 CG TYR A 93 0.781 -4.775 -6.358 1.00 60.34 C ATOM 1422 CD1 TYR A 93 1.618 -3.667 -6.302 1.00 71.50 C ATOM 1423 CD2 TYR A 93 -0.514 -4.642 -5.873 1.00 32.34 C ATOM 1424 CE1 TYR A 93 1.180 -2.467 -5.778 1.00 20.41 C ATOM 1425 CE2 TYR A 93 -0.961 -3.445 -5.348 1.00 30.41 C ATOM 1426 CZ TYR A 93 -0.110 -2.361 -5.302 1.00 45.51 C ATOM 1427 OH TYR A 93 -0.550 -1.166 -4.780 1.00 30.31 O ATOM 0 H TYR A 93 4.026 -6.203 -7.405 1.00 64.05 H new ATOM 0 HA TYR A 93 2.237 -6.593 -5.084 1.00 32.11 H new ATOM 0 HB2 TYR A 93 1.575 -5.930 -7.966 1.00 2.52 H new ATOM 0 HB3 TYR A 93 0.433 -6.793 -6.955 1.00 2.52 H new ATOM 0 HD1 TYR A 93 2.629 -3.746 -6.675 1.00 71.50 H new ATOM 0 HD2 TYR A 93 -1.183 -5.489 -5.907 1.00 32.34 H new ATOM 0 HE1 TYR A 93 1.844 -1.616 -5.741 1.00 20.41 H new ATOM 0 HE2 TYR A 93 -1.971 -3.359 -4.976 1.00 30.41 H new ATOM 0 HH TYR A 93 -0.950 -1.321 -3.899 1.00 30.31 H new ATOM 1437 N ARG A 94 2.381 -9.025 -5.437 1.00 71.10 N ATOM 1438 CA ARG A 94 2.457 -10.471 -5.603 1.00 71.30 C ATOM 1439 C ARG A 94 1.100 -11.044 -6.002 1.00 73.43 C ATOM 1440 O ARG A 94 0.091 -10.797 -5.341 1.00 40.11 O ATOM 1441 CB ARG A 94 2.941 -11.130 -4.311 1.00 35.32 C ATOM 1442 CG ARG A 94 2.156 -10.705 -3.080 1.00 41.52 C ATOM 1443 CD ARG A 94 2.896 -9.638 -2.289 1.00 70.03 C ATOM 1444 NE ARG A 94 3.894 -10.215 -1.391 1.00 54.44 N ATOM 1445 CZ ARG A 94 3.596 -10.769 -0.221 1.00 53.35 C ATOM 1446 NH1 ARG A 94 2.338 -10.821 0.191 1.00 75.15 N ATOM 1447 NH2 ARG A 94 4.559 -11.272 0.540 1.00 63.02 N ATOM 0 H ARG A 94 2.211 -8.718 -4.479 1.00 71.10 H new ATOM 0 HA ARG A 94 3.170 -10.683 -6.399 1.00 71.30 H new ATOM 0 HB2 ARG A 94 2.875 -12.213 -4.418 1.00 35.32 H new ATOM 0 HB3 ARG A 94 3.993 -10.888 -4.162 1.00 35.32 H new ATOM 0 HG2 ARG A 94 1.181 -10.324 -3.383 1.00 41.52 H new ATOM 0 HG3 ARG A 94 1.977 -11.572 -2.444 1.00 41.52 H new ATOM 0 HD2 ARG A 94 3.384 -8.949 -2.978 1.00 70.03 H new ATOM 0 HD3 ARG A 94 2.180 -9.055 -1.709 1.00 70.03 H new ATOM 0 HE ARG A 94 4.872 -10.191 -1.678 1.00 54.44 H new ATOM 0 HH11 ARG A 94 1.594 -10.435 -0.391 1.00 75.15 H new ATOM 0 HH12 ARG A 94 2.113 -11.247 1.090 1.00 75.15 H new ATOM 0 HH21 ARG A 94 5.529 -11.234 0.227 1.00 63.02 H new ATOM 0 HH22 ARG A 94 4.330 -11.697 1.438 1.00 63.02 H new ATOM 1461 N VAL A 95 1.083 -11.812 -7.088 1.00 20.20 N ATOM 1462 CA VAL A 95 -0.149 -12.421 -7.575 1.00 32.24 C ATOM 1463 C VAL A 95 -0.038 -13.942 -7.599 1.00 51.54 C ATOM 1464 O VAL A 95 1.002 -14.492 -7.963 1.00 53.30 O ATOM 1465 CB VAL A 95 -0.502 -11.919 -8.987 1.00 33.50 C ATOM 1466 CG1 VAL A 95 -1.695 -12.684 -9.542 1.00 52.32 C ATOM 1467 CG2 VAL A 95 -0.779 -10.424 -8.968 1.00 74.10 C ATOM 0 H VAL A 95 1.909 -12.027 -7.647 1.00 20.20 H new ATOM 0 HA VAL A 95 -0.941 -12.129 -6.886 1.00 32.24 H new ATOM 0 HB VAL A 95 0.351 -12.098 -9.641 1.00 33.50 H new ATOM 0 HG11 VAL A 95 -1.931 -12.316 -10.541 1.00 52.32 H new ATOM 0 HG12 VAL A 95 -1.454 -13.746 -9.594 1.00 52.32 H new ATOM 0 HG13 VAL A 95 -2.556 -12.539 -8.889 1.00 52.32 H new ATOM 0 HG21 VAL A 95 -1.027 -10.087 -9.975 1.00 74.10 H new ATOM 0 HG22 VAL A 95 -1.615 -10.217 -8.300 1.00 74.10 H new ATOM 0 HG23 VAL A 95 0.106 -9.894 -8.616 1.00 74.10 H new ATOM 1477 N ARG A 96 -1.117 -14.614 -7.211 1.00 2.44 N ATOM 1478 CA ARG A 96 -1.140 -16.072 -7.188 1.00 42.34 C ATOM 1479 C ARG A 96 -2.351 -16.608 -7.946 1.00 72.12 C ATOM 1480 O ARG A 96 -3.483 -16.186 -7.706 1.00 62.03 O ATOM 1481 CB ARG A 96 -1.161 -16.580 -5.745 1.00 55.43 C ATOM 1482 CG ARG A 96 0.060 -17.402 -5.371 1.00 11.12 C ATOM 1483 CD ARG A 96 1.319 -16.550 -5.348 1.00 21.12 C ATOM 1484 NE ARG A 96 1.334 -15.626 -4.217 1.00 43.13 N ATOM 1485 CZ ARG A 96 2.392 -14.896 -3.879 1.00 53.44 C ATOM 1486 NH1 ARG A 96 3.513 -14.981 -4.582 1.00 32.34 N ATOM 1487 NH2 ARG A 96 2.327 -14.076 -2.837 1.00 65.34 N ATOM 0 H ARG A 96 -1.986 -14.173 -6.909 1.00 2.44 H new ATOM 0 HA ARG A 96 -0.237 -16.433 -7.679 1.00 42.34 H new ATOM 0 HB2 ARG A 96 -1.235 -15.728 -5.070 1.00 55.43 H new ATOM 0 HB3 ARG A 96 -2.055 -17.185 -5.595 1.00 55.43 H new ATOM 0 HG2 ARG A 96 -0.092 -17.856 -4.392 1.00 11.12 H new ATOM 0 HG3 ARG A 96 0.184 -18.217 -6.084 1.00 11.12 H new ATOM 0 HD2 ARG A 96 2.194 -17.198 -5.298 1.00 21.12 H new ATOM 0 HD3 ARG A 96 1.392 -15.986 -6.278 1.00 21.12 H new ATOM 0 HE ARG A 96 0.487 -15.536 -3.656 1.00 43.13 H new ATOM 0 HH11 ARG A 96 3.565 -15.608 -5.385 1.00 32.34 H new ATOM 0 HH12 ARG A 96 4.323 -14.419 -4.320 1.00 32.34 H new ATOM 0 HH21 ARG A 96 1.465 -14.006 -2.296 1.00 65.34 H new ATOM 0 HH22 ARG A 96 3.139 -13.516 -2.577 1.00 65.34 H new ATOM 1501 N VAL A 97 -2.105 -17.539 -8.862 1.00 13.32 N ATOM 1502 CA VAL A 97 -3.175 -18.133 -9.655 1.00 3.32 C ATOM 1503 C VAL A 97 -3.767 -19.351 -8.953 1.00 41.15 C ATOM 1504 O VAL A 97 -3.394 -19.673 -7.825 1.00 65.11 O ATOM 1505 CB VAL A 97 -2.674 -18.551 -11.050 1.00 25.24 C ATOM 1506 CG1 VAL A 97 -1.971 -17.390 -11.735 1.00 63.13 C ATOM 1507 CG2 VAL A 97 -1.750 -19.756 -10.944 1.00 63.45 C ATOM 0 H VAL A 97 -1.174 -17.898 -9.073 1.00 13.32 H new ATOM 0 HA VAL A 97 -3.946 -17.371 -9.768 1.00 3.32 H new ATOM 0 HB VAL A 97 -3.534 -18.833 -11.657 1.00 25.24 H new ATOM 0 HG11 VAL A 97 -1.624 -17.704 -12.719 1.00 63.13 H new ATOM 0 HG12 VAL A 97 -2.666 -16.557 -11.844 1.00 63.13 H new ATOM 0 HG13 VAL A 97 -1.118 -17.075 -11.133 1.00 63.13 H new ATOM 0 HG21 VAL A 97 -1.405 -20.038 -11.939 1.00 63.45 H new ATOM 0 HG22 VAL A 97 -0.892 -19.503 -10.321 1.00 63.45 H new ATOM 0 HG23 VAL A 97 -2.290 -20.590 -10.497 1.00 63.45 H new ATOM 1517 N TYR A 98 -4.692 -20.023 -9.629 1.00 63.32 N ATOM 1518 CA TYR A 98 -5.338 -21.204 -9.070 1.00 31.52 C ATOM 1519 C TYR A 98 -4.334 -22.337 -8.881 1.00 52.23 C ATOM 1520 O TYR A 98 -3.841 -22.565 -7.777 1.00 50.20 O ATOM 1521 CB TYR A 98 -6.479 -21.666 -9.979 1.00 65.01 C ATOM 1522 CG TYR A 98 -7.093 -22.982 -9.560 1.00 4.21 C ATOM 1523 CD1 TYR A 98 -7.758 -23.105 -8.346 1.00 74.44 C ATOM 1524 CD2 TYR A 98 -7.007 -24.104 -10.376 1.00 51.53 C ATOM 1525 CE1 TYR A 98 -8.321 -24.306 -7.958 1.00 4.34 C ATOM 1526 CE2 TYR A 98 -7.568 -25.307 -9.997 1.00 31.34 C ATOM 1527 CZ TYR A 98 -8.223 -25.403 -8.787 1.00 21.32 C ATOM 1528 OH TYR A 98 -8.782 -26.602 -8.405 1.00 62.21 O ATOM 0 H TYR A 98 -5.011 -19.770 -10.564 1.00 63.32 H new ATOM 0 HA TYR A 98 -5.744 -20.936 -8.095 1.00 31.52 H new ATOM 0 HB2 TYR A 98 -7.255 -20.901 -9.991 1.00 65.01 H new ATOM 0 HB3 TYR A 98 -6.105 -21.758 -10.999 1.00 65.01 H new ATOM 0 HD1 TYR A 98 -7.836 -22.247 -7.694 1.00 74.44 H new ATOM 0 HD2 TYR A 98 -6.492 -24.033 -11.323 1.00 51.53 H new ATOM 0 HE1 TYR A 98 -8.835 -24.385 -7.011 1.00 4.34 H new ATOM 0 HE2 TYR A 98 -7.494 -26.168 -10.644 1.00 31.34 H new ATOM 0 HH TYR A 98 -8.625 -27.273 -9.102 1.00 62.21 H new ATOM 1538 N GLN A 99 -4.036 -23.043 -9.967 1.00 15.11 N ATOM 1539 CA GLN A 99 -3.090 -24.152 -9.921 1.00 43.11 C ATOM 1540 C GLN A 99 -1.685 -23.656 -9.597 1.00 50.21 C ATOM 1541 O GLN A 99 -1.286 -22.570 -10.021 1.00 32.11 O ATOM 1542 CB GLN A 99 -3.084 -24.900 -11.256 1.00 12.15 C ATOM 1543 CG GLN A 99 -2.170 -26.114 -11.268 1.00 30.32 C ATOM 1544 CD GLN A 99 -2.510 -27.112 -10.179 1.00 72.10 C ATOM 1545 OE1 GLN A 99 -1.627 -27.612 -9.481 1.00 61.31 O ATOM 1546 NE2 GLN A 99 -3.796 -27.408 -10.027 1.00 73.12 N ATOM 0 H GLN A 99 -4.436 -22.867 -10.889 1.00 15.11 H new ATOM 0 HA GLN A 99 -3.406 -24.834 -9.131 1.00 43.11 H new ATOM 0 HB2 GLN A 99 -4.100 -25.218 -11.489 1.00 12.15 H new ATOM 0 HB3 GLN A 99 -2.775 -24.215 -12.046 1.00 12.15 H new ATOM 0 HG2 GLN A 99 -2.237 -26.605 -12.239 1.00 30.32 H new ATOM 0 HG3 GLN A 99 -1.137 -25.787 -11.147 1.00 30.32 H new ATOM 0 HE21 GLN A 99 -4.495 -26.970 -10.628 1.00 73.12 H new ATOM 0 HE22 GLN A 99 -4.085 -28.073 -9.310 1.00 73.12 H new ATOM 1555 N ILE A 100 -0.940 -24.457 -8.842 1.00 42.44 N ATOM 1556 CA ILE A 100 0.422 -24.099 -8.462 1.00 52.34 C ATOM 1557 C ILE A 100 1.419 -25.147 -8.941 1.00 44.21 C ATOM 1558 O ILE A 100 1.067 -26.292 -9.227 1.00 13.41 O ATOM 1559 CB ILE A 100 0.556 -23.937 -6.937 1.00 54.13 C ATOM 1560 CG1 ILE A 100 -0.610 -24.626 -6.224 1.00 22.45 C ATOM 1561 CG2 ILE A 100 0.614 -22.463 -6.563 1.00 11.01 C ATOM 1562 CD1 ILE A 100 -0.504 -24.590 -4.716 1.00 45.41 C ATOM 0 H ILE A 100 -1.256 -25.357 -8.482 1.00 42.44 H new ATOM 0 HA ILE A 100 0.644 -23.145 -8.941 1.00 52.34 H new ATOM 0 HB ILE A 100 1.484 -24.410 -6.617 1.00 54.13 H new ATOM 0 HG12 ILE A 100 -1.542 -24.149 -6.526 1.00 22.45 H new ATOM 0 HG13 ILE A 100 -0.663 -25.664 -6.551 1.00 22.45 H new ATOM 0 HG21 ILE A 100 0.709 -22.365 -5.482 1.00 11.01 H new ATOM 0 HG22 ILE A 100 1.474 -21.999 -7.046 1.00 11.01 H new ATOM 0 HG23 ILE A 100 -0.299 -21.968 -6.893 1.00 11.01 H new ATOM 0 HD11 ILE A 100 -1.364 -25.097 -4.279 1.00 45.41 H new ATOM 0 HD12 ILE A 100 0.411 -25.093 -4.403 1.00 45.41 H new ATOM 0 HD13 ILE A 100 -0.482 -23.554 -4.377 1.00 45.41 H new ATOM 1574 N PRO A 101 2.698 -24.750 -9.028 1.00 64.24 N ATOM 1575 CA PRO A 101 3.775 -25.641 -9.470 1.00 32.23 C ATOM 1576 C PRO A 101 4.081 -26.731 -8.449 1.00 14.05 C ATOM 1577 O PRO A 101 3.735 -26.610 -7.274 1.00 54.41 O ATOM 1578 CB PRO A 101 4.973 -24.701 -9.625 1.00 55.02 C ATOM 1579 CG PRO A 101 4.685 -23.567 -8.703 1.00 71.25 C ATOM 1580 CD PRO A 101 3.190 -23.401 -8.704 1.00 32.32 C ATOM 0 HA PRO A 101 3.514 -26.174 -10.384 1.00 32.23 H new ATOM 0 HB2 PRO A 101 5.905 -25.200 -9.360 1.00 55.02 H new ATOM 0 HB3 PRO A 101 5.077 -24.358 -10.654 1.00 55.02 H new ATOM 0 HG2 PRO A 101 5.054 -23.777 -7.699 1.00 71.25 H new ATOM 0 HG3 PRO A 101 5.179 -22.655 -9.039 1.00 71.25 H new ATOM 0 HD2 PRO A 101 2.823 -23.061 -7.736 1.00 32.32 H new ATOM 0 HD3 PRO A 101 2.868 -22.667 -9.443 1.00 32.32 H new