USER MOD reduce.3.24.130724 H: found=0, std=0, add=1208, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1210 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 75 LYS NZ :NH3+ -154:sc= -0.675 (180deg=-1.53!) USER MOD Set 1.2: B 526 CYS SG : rot 24:sc= -5.15! USER MOD Set 1.3: B 527 MET CE :methyl -155:sc= -3.11 (180deg=-4.22!) USER MOD Set 2.1: A 81 SER OG : rot -175:sc= 0.865 USER MOD Set 2.2: A 145 MET CE :methyl -134:sc= -0.0505 (180deg=-0.479) USER MOD Set 3.1: A 72 MET CE :methyl 169:sc= -0.0111 (180deg=0) USER MOD Set 3.2: B 520 LYS NZ :NH3+ -120:sc= -0.0152 (180deg=0) USER MOD Set 4.1: A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 41 GLN : amide:sc= -2.63! C(o=-2.6!,f=-4.1!) USER MOD Set 5.1: A 5 THR OG1 : rot 113:sc= 1.18 USER MOD Set 5.2: A 8 GLN : amide:sc= 0.649 K(o=1.8,f=-4.8!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 143:sc= -0.18 (180deg=-1.57!) USER MOD Single : A 26 THR OG1 : rot -142:sc= -2.12 USER MOD Single : A 28 THR OG1 : rot -170:sc= 0 USER MOD Single : A 29 THR OG1 : rot -130:sc= -0.668 USER MOD Single : A 30 LYS NZ :NH3+ 167:sc= -0.0582 (180deg=-0.315) USER MOD Single : A 34 THR OG1 : rot 90:sc= 1.24 USER MOD Single : A 38 SER OG : rot 140:sc= -0.361 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.927 USER MOD Single : A 49 GLN :FLIP amide:sc= 0.807 F(o=0,f=0.81) USER MOD Single : A 51 MET CE :methyl 157:sc= -3.2! (180deg=-4.19!) USER MOD Single : A 53 ASN :FLIP amide:sc= 1.11 F(o=-0.022,f=1.1) USER MOD Single : A 60 ASN : amide:sc= -0.195 K(o=-0.19,f=-1.5!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -17:sc= -1.44! USER MOD Single : A 71 MET CE :methyl 157:sc= -0.33 (180deg=-2.3) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 167:sc= -0.428 (180deg=-0.896) USER MOD Single : A 110 THR OG1 : rot 89:sc= 1.2 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 140:sc= 0.856 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0.48) USER MOD Single : A 137 ASN : amide:sc= -1.35! C(o=-1.3!,f=-6.9!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl -160:sc= -0.607 (180deg=-2.27) USER MOD Single : A 146 THR OG1 : rot 157:sc= -3.53! USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 529 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N THR A 5 -1.216 -14.723 11.172 1.00 1.73 N ATOM 62 CA THR A 5 -1.297 -13.590 12.100 1.00 2.05 C ATOM 63 C THR A 5 -1.991 -12.411 11.405 1.00 1.66 C ATOM 64 O THR A 5 -1.740 -12.138 10.232 1.00 1.15 O ATOM 65 CB THR A 5 0.097 -13.176 12.631 1.00 2.63 C ATOM 66 OG1 THR A 5 0.882 -14.344 12.903 1.00 3.14 O ATOM 67 CG2 THR A 5 -0.011 -12.346 13.909 1.00 3.26 C ATOM 0 HA THR A 5 -1.884 -13.897 12.966 1.00 2.05 H new ATOM 0 HB THR A 5 0.574 -12.569 11.861 1.00 2.63 H new ATOM 0 HG1 THR A 5 1.629 -14.391 12.270 1.00 3.14 H new ATOM 0 HG21 THR A 5 0.987 -12.074 14.252 1.00 3.26 H new ATOM 0 HG22 THR A 5 -0.585 -11.441 13.708 1.00 3.26 H new ATOM 0 HG23 THR A 5 -0.513 -12.930 14.681 1.00 3.26 H new ATOM 75 N GLU A 6 -2.801 -11.698 12.184 1.00 2.22 N ATOM 76 CA GLU A 6 -3.654 -10.585 11.719 1.00 2.15 C ATOM 77 C GLU A 6 -3.047 -9.621 10.691 1.00 1.73 C ATOM 78 O GLU A 6 -3.613 -9.477 9.614 1.00 1.38 O ATOM 79 CB GLU A 6 -4.104 -9.782 12.933 1.00 2.80 C ATOM 80 CG GLU A 6 -5.210 -10.442 13.743 1.00 3.25 C ATOM 81 CD GLU A 6 -5.625 -9.617 14.946 1.00 3.82 C ATOM 82 OE1 GLU A 6 -6.548 -8.788 14.807 1.00 4.39 O ATOM 83 OE2 GLU A 6 -5.027 -9.801 16.027 1.00 4.09 O ATOM 0 H GLU A 6 -2.891 -11.876 13.184 1.00 2.22 H new ATOM 0 HA GLU A 6 -4.472 -11.070 11.186 1.00 2.15 H new ATOM 0 HB2 GLU A 6 -3.245 -9.614 13.582 1.00 2.80 H new ATOM 0 HB3 GLU A 6 -4.448 -8.803 12.600 1.00 2.80 H new ATOM 0 HG2 GLU A 6 -6.077 -10.604 13.102 1.00 3.25 H new ATOM 0 HG3 GLU A 6 -4.873 -11.423 14.079 1.00 3.25 H new ATOM 90 N GLU A 7 -1.909 -8.987 11.000 1.00 1.90 N ATOM 91 CA GLU A 7 -1.308 -8.006 10.091 1.00 1.65 C ATOM 92 C GLU A 7 -0.511 -8.629 8.962 1.00 1.44 C ATOM 93 O GLU A 7 -0.236 -7.965 7.957 1.00 1.23 O ATOM 94 CB GLU A 7 -0.453 -6.998 10.865 1.00 2.06 C ATOM 95 CG GLU A 7 -1.270 -5.978 11.646 1.00 2.28 C ATOM 96 CD GLU A 7 -0.423 -5.148 12.591 1.00 2.65 C ATOM 97 OE1 GLU A 7 0.024 -5.694 13.622 1.00 3.11 O ATOM 98 OE2 GLU A 7 -0.210 -3.952 12.302 1.00 2.91 O ATOM 0 H GLU A 7 -1.390 -9.135 11.866 1.00 1.90 H new ATOM 0 HA GLU A 7 -2.141 -7.484 9.621 1.00 1.65 H new ATOM 0 HB2 GLU A 7 0.194 -7.538 11.556 1.00 2.06 H new ATOM 0 HB3 GLU A 7 0.196 -6.472 10.165 1.00 2.06 H new ATOM 0 HG2 GLU A 7 -1.781 -5.316 10.947 1.00 2.28 H new ATOM 0 HG3 GLU A 7 -2.041 -6.496 12.216 1.00 2.28 H new ATOM 105 N GLN A 8 -0.144 -9.892 9.122 1.00 1.67 N ATOM 106 CA GLN A 8 0.591 -10.612 8.089 1.00 1.66 C ATOM 107 C GLN A 8 -0.387 -11.022 6.985 1.00 1.23 C ATOM 108 O GLN A 8 -0.096 -10.874 5.794 1.00 1.28 O ATOM 109 CB GLN A 8 1.306 -11.828 8.690 1.00 1.98 C ATOM 110 CG GLN A 8 2.156 -11.481 9.908 1.00 2.48 C ATOM 111 CD GLN A 8 3.059 -12.621 10.339 1.00 2.88 C ATOM 112 OE1 GLN A 8 2.676 -13.465 11.146 1.00 3.21 O ATOM 113 NE2 GLN A 8 4.272 -12.648 9.798 1.00 3.41 N ATOM 0 H GLN A 8 -0.343 -10.441 9.958 1.00 1.67 H new ATOM 0 HA GLN A 8 1.359 -9.969 7.659 1.00 1.66 H new ATOM 0 HB2 GLN A 8 0.564 -12.575 8.973 1.00 1.98 H new ATOM 0 HB3 GLN A 8 1.941 -12.282 7.929 1.00 1.98 H new ATOM 0 HG2 GLN A 8 2.766 -10.606 9.682 1.00 2.48 H new ATOM 0 HG3 GLN A 8 1.502 -11.209 10.736 1.00 2.48 H new ATOM 0 HE21 GLN A 8 4.549 -11.927 9.132 1.00 3.41 H new ATOM 0 HE22 GLN A 8 4.926 -13.390 10.049 1.00 3.41 H new ATOM 122 N ILE A 9 -1.549 -11.538 7.412 1.00 0.97 N ATOM 123 CA ILE A 9 -2.620 -11.938 6.496 1.00 0.68 C ATOM 124 C ILE A 9 -3.597 -10.790 6.185 1.00 0.57 C ATOM 125 O ILE A 9 -4.434 -10.922 5.288 1.00 0.67 O ATOM 126 CB ILE A 9 -3.391 -13.213 6.947 1.00 0.76 C ATOM 127 CG1 ILE A 9 -3.580 -13.290 8.454 1.00 1.22 C ATOM 128 CG2 ILE A 9 -2.684 -14.457 6.437 1.00 1.14 C ATOM 129 CD1 ILE A 9 -4.758 -12.474 8.895 1.00 2.46 C ATOM 0 H ILE A 9 -1.769 -11.688 8.397 1.00 0.97 H new ATOM 0 HA ILE A 9 -2.103 -12.197 5.572 1.00 0.68 H new ATOM 0 HB ILE A 9 -4.388 -13.153 6.511 1.00 0.76 H new ATOM 0 HG12 ILE A 9 -3.721 -14.329 8.753 1.00 1.22 H new ATOM 0 HG13 ILE A 9 -2.680 -12.934 8.955 1.00 1.22 H new ATOM 0 HG21 ILE A 9 -3.231 -15.344 6.758 1.00 1.14 H new ATOM 0 HG22 ILE A 9 -2.642 -14.431 5.348 1.00 1.14 H new ATOM 0 HG23 ILE A 9 -1.671 -14.490 6.839 1.00 1.14 H new ATOM 0 HD11 ILE A 9 -4.868 -12.549 9.977 1.00 2.46 H new ATOM 0 HD12 ILE A 9 -4.603 -11.431 8.617 1.00 2.46 H new ATOM 0 HD13 ILE A 9 -5.661 -12.848 8.412 1.00 2.46 H new ATOM 141 N ALA A 10 -3.487 -9.663 6.926 1.00 0.59 N ATOM 142 CA ALA A 10 -4.367 -8.488 6.715 1.00 0.64 C ATOM 143 C ALA A 10 -4.148 -7.785 5.384 1.00 0.58 C ATOM 144 O ALA A 10 -5.015 -7.029 4.938 1.00 0.70 O ATOM 145 CB ALA A 10 -4.127 -7.441 7.774 1.00 0.80 C ATOM 0 H ALA A 10 -2.802 -9.542 7.672 1.00 0.59 H new ATOM 0 HA ALA A 10 -5.376 -8.898 6.750 1.00 0.64 H new ATOM 0 HB1 ALA A 10 -4.784 -6.589 7.599 1.00 0.80 H new ATOM 0 HB2 ALA A 10 -4.335 -7.863 8.757 1.00 0.80 H new ATOM 0 HB3 ALA A 10 -3.088 -7.113 7.733 1.00 0.80 H new ATOM 151 N GLU A 11 -3.006 -8.048 4.745 1.00 0.50 N ATOM 152 CA GLU A 11 -2.637 -7.357 3.512 1.00 0.51 C ATOM 153 C GLU A 11 -3.656 -7.635 2.412 1.00 0.49 C ATOM 154 O GLU A 11 -4.258 -6.701 1.882 1.00 0.50 O ATOM 155 CB GLU A 11 -1.215 -7.738 3.065 1.00 0.59 C ATOM 156 CG GLU A 11 -0.695 -6.916 1.883 1.00 0.64 C ATOM 157 CD GLU A 11 -0.944 -7.589 0.544 1.00 0.88 C ATOM 158 OE1 GLU A 11 -0.355 -8.663 0.297 1.00 1.48 O ATOM 159 OE2 GLU A 11 -1.730 -7.041 -0.257 1.00 1.48 O ATOM 0 H GLU A 11 -2.322 -8.735 5.063 1.00 0.50 H new ATOM 0 HA GLU A 11 -2.641 -6.285 3.711 1.00 0.51 H new ATOM 0 HB2 GLU A 11 -0.535 -7.615 3.908 1.00 0.59 H new ATOM 0 HB3 GLU A 11 -1.200 -8.794 2.795 1.00 0.59 H new ATOM 0 HG2 GLU A 11 -1.175 -5.937 1.888 1.00 0.64 H new ATOM 0 HG3 GLU A 11 0.375 -6.747 2.006 1.00 0.64 H new ATOM 166 N PHE A 12 -3.852 -8.922 2.082 1.00 0.52 N ATOM 167 CA PHE A 12 -4.827 -9.295 1.064 1.00 0.53 C ATOM 168 C PHE A 12 -6.243 -9.105 1.604 1.00 0.49 C ATOM 169 O PHE A 12 -7.190 -8.977 0.827 1.00 0.54 O ATOM 170 CB PHE A 12 -4.604 -10.727 0.531 1.00 0.63 C ATOM 171 CG PHE A 12 -4.657 -11.831 1.559 1.00 1.22 C ATOM 172 CD1 PHE A 12 -5.871 -12.374 1.951 1.00 2.05 C ATOM 173 CD2 PHE A 12 -3.492 -12.334 2.110 1.00 2.14 C ATOM 174 CE1 PHE A 12 -5.921 -13.397 2.876 1.00 3.03 C ATOM 175 CE2 PHE A 12 -3.535 -13.356 3.037 1.00 3.14 C ATOM 176 CZ PHE A 12 -4.753 -13.889 3.421 1.00 3.44 C ATOM 0 H PHE A 12 -3.353 -9.706 2.502 1.00 0.52 H new ATOM 0 HA PHE A 12 -4.689 -8.633 0.209 1.00 0.53 H new ATOM 0 HB2 PHE A 12 -5.356 -10.931 -0.231 1.00 0.63 H new ATOM 0 HB3 PHE A 12 -3.632 -10.763 0.038 1.00 0.63 H new ATOM 0 HD1 PHE A 12 -6.788 -11.992 1.528 1.00 2.05 H new ATOM 0 HD2 PHE A 12 -2.539 -11.923 1.812 1.00 2.14 H new ATOM 0 HE1 PHE A 12 -6.873 -13.812 3.173 1.00 3.03 H new ATOM 0 HE2 PHE A 12 -2.619 -13.739 3.462 1.00 3.14 H new ATOM 0 HZ PHE A 12 -4.789 -14.689 4.146 1.00 3.44 H new ATOM 186 N LYS A 13 -6.376 -9.089 2.952 1.00 0.47 N ATOM 187 CA LYS A 13 -7.656 -8.860 3.595 1.00 0.48 C ATOM 188 C LYS A 13 -8.167 -7.470 3.364 1.00 0.48 C ATOM 189 O LYS A 13 -9.298 -7.265 2.925 1.00 0.52 O ATOM 190 CB LYS A 13 -7.561 -9.022 5.106 1.00 0.51 C ATOM 191 CG LYS A 13 -8.906 -9.281 5.740 1.00 0.57 C ATOM 192 CD LYS A 13 -9.445 -10.620 5.269 1.00 0.60 C ATOM 193 CE LYS A 13 -10.965 -10.633 5.214 1.00 0.66 C ATOM 194 NZ LYS A 13 -11.494 -11.957 4.786 1.00 1.21 N ATOM 0 H LYS A 13 -5.602 -9.234 3.600 1.00 0.47 H new ATOM 0 HA LYS A 13 -8.328 -9.598 3.156 1.00 0.48 H new ATOM 0 HB2 LYS A 13 -6.887 -9.846 5.339 1.00 0.51 H new ATOM 0 HB3 LYS A 13 -7.125 -8.122 5.539 1.00 0.51 H new ATOM 0 HG2 LYS A 13 -8.814 -9.277 6.826 1.00 0.57 H new ATOM 0 HG3 LYS A 13 -9.602 -8.485 5.476 1.00 0.57 H new ATOM 0 HD2 LYS A 13 -9.044 -10.845 4.281 1.00 0.60 H new ATOM 0 HD3 LYS A 13 -9.099 -11.407 5.940 1.00 0.60 H new ATOM 0 HE2 LYS A 13 -11.366 -10.382 6.196 1.00 0.66 H new ATOM 0 HE3 LYS A 13 -11.310 -9.864 4.523 1.00 0.66 H new ATOM 0 HZ1 LYS A 13 -12.533 -11.924 4.761 1.00 1.21 H new ATOM 0 HZ2 LYS A 13 -11.132 -12.185 3.838 1.00 1.21 H new ATOM 0 HZ3 LYS A 13 -11.187 -12.688 5.459 1.00 1.21 H new ATOM 208 N GLU A 14 -7.335 -6.522 3.722 1.00 0.47 N ATOM 209 CA GLU A 14 -7.694 -5.154 3.603 1.00 0.49 C ATOM 210 C GLU A 14 -7.724 -4.752 2.142 1.00 0.49 C ATOM 211 O GLU A 14 -8.485 -3.870 1.733 1.00 0.54 O ATOM 212 CB GLU A 14 -6.720 -4.279 4.373 1.00 0.50 C ATOM 213 CG GLU A 14 -7.163 -3.935 5.793 1.00 0.52 C ATOM 214 CD GLU A 14 -6.931 -5.065 6.781 1.00 1.25 C ATOM 215 OE1 GLU A 14 -5.955 -4.985 7.555 1.00 1.99 O ATOM 216 OE2 GLU A 14 -7.727 -6.027 6.779 1.00 1.95 O ATOM 0 H GLU A 14 -6.402 -6.688 4.099 1.00 0.47 H new ATOM 0 HA GLU A 14 -8.688 -5.015 4.027 1.00 0.49 H new ATOM 0 HB2 GLU A 14 -5.756 -4.785 4.419 1.00 0.50 H new ATOM 0 HB3 GLU A 14 -6.568 -3.353 3.819 1.00 0.50 H new ATOM 0 HG2 GLU A 14 -6.625 -3.049 6.130 1.00 0.52 H new ATOM 0 HG3 GLU A 14 -8.223 -3.680 5.785 1.00 0.52 H new ATOM 223 N ALA A 15 -6.868 -5.431 1.371 1.00 0.46 N ATOM 224 CA ALA A 15 -6.783 -5.234 -0.063 1.00 0.48 C ATOM 225 C ALA A 15 -7.885 -6.007 -0.768 1.00 0.50 C ATOM 226 O ALA A 15 -7.989 -6.031 -1.997 1.00 0.55 O ATOM 227 CB ALA A 15 -5.417 -5.625 -0.602 1.00 0.50 C ATOM 0 H ALA A 15 -6.219 -6.130 1.732 1.00 0.46 H new ATOM 0 HA ALA A 15 -6.919 -4.171 -0.264 1.00 0.48 H new ATOM 0 HB1 ALA A 15 -5.391 -5.464 -1.680 1.00 0.50 H new ATOM 0 HB2 ALA A 15 -4.650 -5.015 -0.125 1.00 0.50 H new ATOM 0 HB3 ALA A 15 -5.229 -6.677 -0.388 1.00 0.50 H new ATOM 233 N PHE A 16 -8.693 -6.637 0.067 1.00 0.49 N ATOM 234 CA PHE A 16 -9.844 -7.421 -0.363 1.00 0.53 C ATOM 235 C PHE A 16 -11.044 -6.490 -0.511 1.00 0.57 C ATOM 236 O PHE A 16 -11.689 -6.482 -1.549 1.00 0.60 O ATOM 237 CB PHE A 16 -10.155 -8.570 0.620 1.00 0.55 C ATOM 238 CG PHE A 16 -10.897 -9.721 -0.006 1.00 0.56 C ATOM 239 CD1 PHE A 16 -12.282 -9.743 -0.022 1.00 1.27 C ATOM 240 CD2 PHE A 16 -10.207 -10.779 -0.576 1.00 1.27 C ATOM 241 CE1 PHE A 16 -12.966 -10.799 -0.595 1.00 1.31 C ATOM 242 CE2 PHE A 16 -10.885 -11.838 -1.151 1.00 1.27 C ATOM 243 CZ PHE A 16 -12.266 -11.847 -1.160 1.00 0.62 C ATOM 0 H PHE A 16 -8.568 -6.620 1.079 1.00 0.49 H new ATOM 0 HA PHE A 16 -9.616 -7.885 -1.323 1.00 0.53 H new ATOM 0 HB2 PHE A 16 -9.220 -8.939 1.041 1.00 0.55 H new ATOM 0 HB3 PHE A 16 -10.745 -8.177 1.449 1.00 0.55 H new ATOM 0 HD1 PHE A 16 -12.834 -8.926 0.418 1.00 1.27 H new ATOM 0 HD2 PHE A 16 -9.127 -10.776 -0.571 1.00 1.27 H new ATOM 0 HE1 PHE A 16 -14.046 -10.804 -0.601 1.00 1.31 H new ATOM 0 HE2 PHE A 16 -10.336 -12.657 -1.592 1.00 1.27 H new ATOM 0 HZ PHE A 16 -12.798 -12.673 -1.608 1.00 0.62 H new ATOM 253 N SER A 17 -11.321 -5.688 0.533 1.00 0.61 N ATOM 254 CA SER A 17 -12.449 -4.749 0.498 1.00 0.67 C ATOM 255 C SER A 17 -12.077 -3.416 -0.165 1.00 0.74 C ATOM 256 O SER A 17 -12.954 -2.688 -0.637 1.00 0.78 O ATOM 257 CB SER A 17 -12.993 -4.506 1.907 1.00 0.74 C ATOM 258 OG SER A 17 -13.447 -5.714 2.494 1.00 1.41 O ATOM 0 H SER A 17 -10.784 -5.673 1.400 1.00 0.61 H new ATOM 0 HA SER A 17 -13.227 -5.210 -0.111 1.00 0.67 H new ATOM 0 HB2 SER A 17 -12.214 -4.066 2.530 1.00 0.74 H new ATOM 0 HB3 SER A 17 -13.812 -3.788 1.865 1.00 0.74 H new ATOM 0 HG SER A 17 -13.788 -5.532 3.395 1.00 1.41 H new ATOM 264 N LEU A 18 -10.774 -3.113 -0.191 1.00 0.79 N ATOM 265 CA LEU A 18 -10.254 -1.875 -0.805 1.00 0.91 C ATOM 266 C LEU A 18 -10.151 -2.029 -2.331 1.00 0.81 C ATOM 267 O LEU A 18 -10.055 -1.036 -3.059 1.00 0.79 O ATOM 268 CB LEU A 18 -8.871 -1.507 -0.188 1.00 1.26 C ATOM 269 CG LEU A 18 -7.942 -0.587 -1.027 1.00 0.69 C ATOM 270 CD1 LEU A 18 -8.416 0.860 -1.016 1.00 1.59 C ATOM 271 CD2 LEU A 18 -6.501 -0.671 -0.554 1.00 0.83 C ATOM 0 H LEU A 18 -10.051 -3.711 0.209 1.00 0.79 H new ATOM 0 HA LEU A 18 -10.950 -1.063 -0.596 1.00 0.91 H new ATOM 0 HB2 LEU A 18 -9.048 -1.023 0.773 1.00 1.26 H new ATOM 0 HB3 LEU A 18 -8.334 -2.434 0.016 1.00 1.26 H new ATOM 0 HG LEU A 18 -7.989 -0.949 -2.054 1.00 0.69 H new ATOM 0 HD11 LEU A 18 -7.739 1.469 -1.614 1.00 1.59 H new ATOM 0 HD12 LEU A 18 -9.421 0.917 -1.435 1.00 1.59 H new ATOM 0 HD13 LEU A 18 -8.428 1.231 0.009 1.00 1.59 H new ATOM 0 HD21 LEU A 18 -5.879 -0.015 -1.163 1.00 0.83 H new ATOM 0 HD22 LEU A 18 -6.442 -0.361 0.489 1.00 0.83 H new ATOM 0 HD23 LEU A 18 -6.146 -1.697 -0.648 1.00 0.83 H new ATOM 283 N PHE A 19 -10.189 -3.279 -2.794 1.00 0.84 N ATOM 284 CA PHE A 19 -10.076 -3.586 -4.213 1.00 0.86 C ATOM 285 C PHE A 19 -11.373 -4.128 -4.810 1.00 0.75 C ATOM 286 O PHE A 19 -11.819 -3.691 -5.875 1.00 0.79 O ATOM 287 CB PHE A 19 -9.013 -4.648 -4.423 1.00 1.02 C ATOM 288 CG PHE A 19 -7.823 -4.188 -5.213 1.00 0.85 C ATOM 289 CD1 PHE A 19 -7.846 -4.222 -6.594 1.00 1.41 C ATOM 290 CD2 PHE A 19 -6.678 -3.738 -4.575 1.00 1.53 C ATOM 291 CE1 PHE A 19 -6.753 -3.817 -7.330 1.00 1.60 C ATOM 292 CE2 PHE A 19 -5.579 -3.328 -5.306 1.00 1.64 C ATOM 293 CZ PHE A 19 -5.616 -3.368 -6.686 1.00 1.28 C ATOM 0 H PHE A 19 -10.298 -4.099 -2.198 1.00 0.84 H new ATOM 0 HA PHE A 19 -9.825 -2.648 -4.708 1.00 0.86 H new ATOM 0 HB2 PHE A 19 -8.673 -5.001 -3.450 1.00 1.02 H new ATOM 0 HB3 PHE A 19 -9.464 -5.500 -4.932 1.00 1.02 H new ATOM 0 HD1 PHE A 19 -8.732 -4.571 -7.104 1.00 1.41 H new ATOM 0 HD2 PHE A 19 -6.644 -3.707 -3.496 1.00 1.53 H new ATOM 0 HE1 PHE A 19 -6.785 -3.851 -8.409 1.00 1.60 H new ATOM 0 HE2 PHE A 19 -4.693 -2.977 -4.799 1.00 1.64 H new ATOM 0 HZ PHE A 19 -4.759 -3.049 -7.260 1.00 1.28 H new ATOM 303 N ASP A 20 -11.958 -5.085 -4.090 1.00 0.68 N ATOM 304 CA ASP A 20 -13.152 -5.815 -4.509 1.00 0.63 C ATOM 305 C ASP A 20 -14.458 -4.974 -4.500 1.00 0.66 C ATOM 306 O ASP A 20 -15.182 -4.943 -3.497 1.00 0.74 O ATOM 307 CB ASP A 20 -13.244 -7.060 -3.595 1.00 0.60 C ATOM 308 CG ASP A 20 -14.453 -7.935 -3.797 1.00 1.67 C ATOM 309 OD1 ASP A 20 -15.560 -7.524 -3.389 1.00 2.45 O ATOM 310 OD2 ASP A 20 -14.285 -9.047 -4.338 1.00 2.31 O ATOM 0 H ASP A 20 -11.606 -5.380 -3.179 1.00 0.68 H new ATOM 0 HA ASP A 20 -13.054 -6.096 -5.558 1.00 0.63 H new ATOM 0 HB2 ASP A 20 -12.351 -7.666 -3.748 1.00 0.60 H new ATOM 0 HB3 ASP A 20 -13.229 -6.727 -2.557 1.00 0.60 H new ATOM 315 N LYS A 21 -14.728 -4.265 -5.619 1.00 0.73 N ATOM 316 CA LYS A 21 -15.982 -3.493 -5.773 1.00 0.80 C ATOM 317 C LYS A 21 -17.062 -4.388 -6.347 1.00 0.82 C ATOM 318 O LYS A 21 -18.220 -4.365 -5.921 1.00 0.91 O ATOM 319 CB LYS A 21 -15.841 -2.281 -6.680 1.00 1.01 C ATOM 320 CG LYS A 21 -14.965 -1.203 -6.102 1.00 0.97 C ATOM 321 CD LYS A 21 -13.577 -1.296 -6.686 1.00 0.95 C ATOM 322 CE LYS A 21 -13.181 0.000 -7.390 1.00 1.05 C ATOM 323 NZ LYS A 21 -13.756 0.093 -8.760 1.00 1.63 N ATOM 0 H LYS A 21 -14.101 -4.211 -6.422 1.00 0.73 H new ATOM 0 HA LYS A 21 -16.241 -3.133 -4.777 1.00 0.80 H new ATOM 0 HB2 LYS A 21 -15.430 -2.599 -7.638 1.00 1.01 H new ATOM 0 HB3 LYS A 21 -16.830 -1.868 -6.879 1.00 1.01 H new ATOM 0 HG2 LYS A 21 -15.393 -0.223 -6.314 1.00 0.97 H new ATOM 0 HG3 LYS A 21 -14.919 -1.303 -5.018 1.00 0.97 H new ATOM 0 HD2 LYS A 21 -12.861 -1.515 -5.894 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -13.533 -2.124 -7.393 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -13.518 0.851 -6.798 1.00 1.05 H new ATOM 0 HE3 LYS A 21 -12.094 0.062 -7.449 1.00 1.05 H new ATOM 0 HZ1 LYS A 21 -14.027 1.078 -8.957 1.00 1.63 H new ATOM 0 HZ2 LYS A 21 -13.048 -0.217 -9.456 1.00 1.63 H new ATOM 0 HZ3 LYS A 21 -14.596 -0.517 -8.826 1.00 1.63 H new ATOM 337 N ASP A 22 -16.632 -5.178 -7.334 1.00 0.85 N ATOM 338 CA ASP A 22 -17.500 -6.140 -8.037 1.00 0.97 C ATOM 339 C ASP A 22 -17.787 -7.323 -7.106 1.00 0.88 C ATOM 340 O ASP A 22 -18.944 -7.705 -6.903 1.00 1.02 O ATOM 341 CB ASP A 22 -16.832 -6.604 -9.342 1.00 1.12 C ATOM 342 CG ASP A 22 -17.810 -7.235 -10.320 1.00 1.36 C ATOM 343 OD1 ASP A 22 -18.004 -8.467 -10.254 1.00 2.09 O ATOM 344 OD2 ASP A 22 -18.381 -6.495 -11.149 1.00 1.48 O ATOM 0 H ASP A 22 -15.670 -5.172 -7.673 1.00 0.85 H new ATOM 0 HA ASP A 22 -18.444 -5.664 -8.303 1.00 0.97 H new ATOM 0 HB2 ASP A 22 -16.349 -5.751 -9.819 1.00 1.12 H new ATOM 0 HB3 ASP A 22 -16.048 -7.323 -9.106 1.00 1.12 H new ATOM 349 N GLY A 23 -16.708 -7.885 -6.554 1.00 0.75 N ATOM 350 CA GLY A 23 -16.802 -8.952 -5.577 1.00 0.75 C ATOM 351 C GLY A 23 -17.206 -10.329 -6.029 1.00 0.85 C ATOM 352 O GLY A 23 -18.152 -10.910 -5.488 1.00 1.01 O ATOM 0 H GLY A 23 -15.752 -7.608 -6.777 1.00 0.75 H new ATOM 0 HA2 GLY A 23 -15.830 -9.038 -5.091 1.00 0.75 H new ATOM 0 HA3 GLY A 23 -17.513 -8.636 -4.814 1.00 0.75 H new ATOM 356 N ASP A 24 -16.496 -10.848 -7.020 1.00 0.82 N ATOM 357 CA ASP A 24 -16.669 -12.233 -7.457 1.00 0.95 C ATOM 358 C ASP A 24 -15.905 -13.094 -6.436 1.00 0.87 C ATOM 359 O ASP A 24 -15.962 -14.327 -6.421 1.00 0.96 O ATOM 360 CB ASP A 24 -16.041 -12.399 -8.828 1.00 1.00 C ATOM 361 CG ASP A 24 -16.484 -13.662 -9.549 1.00 1.41 C ATOM 362 OD1 ASP A 24 -15.817 -14.705 -9.383 1.00 1.96 O ATOM 363 OD2 ASP A 24 -17.496 -13.606 -10.278 1.00 1.93 O ATOM 0 H ASP A 24 -15.789 -10.330 -7.542 1.00 0.82 H new ATOM 0 HA ASP A 24 -17.720 -12.517 -7.517 1.00 0.95 H new ATOM 0 HB2 ASP A 24 -16.292 -11.533 -9.441 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -14.956 -12.412 -8.723 1.00 1.00 H new ATOM 368 N GLY A 25 -15.197 -12.338 -5.597 1.00 0.74 N ATOM 369 CA GLY A 25 -14.339 -12.835 -4.535 1.00 0.72 C ATOM 370 C GLY A 25 -12.903 -12.612 -4.932 1.00 0.65 C ATOM 371 O GLY A 25 -11.963 -13.066 -4.273 1.00 0.69 O ATOM 0 H GLY A 25 -15.210 -11.319 -5.646 1.00 0.74 H new ATOM 0 HA2 GLY A 25 -14.557 -12.319 -3.600 1.00 0.72 H new ATOM 0 HA3 GLY A 25 -14.524 -13.896 -4.365 1.00 0.72 H new ATOM 375 N THR A 26 -12.781 -11.889 -6.042 1.00 0.62 N ATOM 376 CA THR A 26 -11.525 -11.546 -6.664 1.00 0.58 C ATOM 377 C THR A 26 -11.328 -10.039 -6.858 1.00 0.57 C ATOM 378 O THR A 26 -12.190 -9.225 -6.516 1.00 0.64 O ATOM 379 CB THR A 26 -11.475 -12.196 -8.040 1.00 0.60 C ATOM 380 OG1 THR A 26 -12.728 -12.005 -8.716 1.00 0.63 O ATOM 381 CG2 THR A 26 -11.191 -13.675 -7.920 1.00 0.64 C ATOM 0 H THR A 26 -13.588 -11.517 -6.543 1.00 0.62 H new ATOM 0 HA THR A 26 -10.738 -11.900 -5.999 1.00 0.58 H new ATOM 0 HB THR A 26 -10.674 -11.728 -8.612 1.00 0.60 H new ATOM 0 HG1 THR A 26 -12.952 -12.812 -9.224 1.00 0.63 H new ATOM 0 HG21 THR A 26 -11.159 -14.121 -8.914 1.00 0.64 H new ATOM 0 HG22 THR A 26 -10.231 -13.822 -7.425 1.00 0.64 H new ATOM 0 HG23 THR A 26 -11.978 -14.150 -7.334 1.00 0.64 H new ATOM 389 N ILE A 27 -10.158 -9.712 -7.417 1.00 0.54 N ATOM 390 CA ILE A 27 -9.740 -8.371 -7.726 1.00 0.53 C ATOM 391 C ILE A 27 -9.870 -8.106 -9.186 1.00 0.53 C ATOM 392 O ILE A 27 -9.399 -8.876 -10.006 1.00 0.51 O ATOM 393 CB ILE A 27 -8.300 -8.164 -7.280 1.00 0.49 C ATOM 394 CG1 ILE A 27 -8.349 -7.717 -5.852 1.00 0.52 C ATOM 395 CG2 ILE A 27 -7.521 -7.170 -8.151 1.00 0.47 C ATOM 396 CD1 ILE A 27 -7.754 -8.708 -4.878 1.00 0.54 C ATOM 0 H ILE A 27 -9.461 -10.412 -7.670 1.00 0.54 H new ATOM 0 HA ILE A 27 -10.383 -7.671 -7.192 1.00 0.53 H new ATOM 0 HB ILE A 27 -7.755 -9.102 -7.388 1.00 0.49 H new ATOM 0 HG12 ILE A 27 -7.819 -6.769 -5.760 1.00 0.52 H new ATOM 0 HG13 ILE A 27 -9.387 -7.530 -5.576 1.00 0.52 H new ATOM 0 HG21 ILE A 27 -6.503 -7.074 -7.772 1.00 0.47 H new ATOM 0 HG22 ILE A 27 -7.493 -7.531 -9.179 1.00 0.47 H new ATOM 0 HG23 ILE A 27 -8.012 -6.197 -8.121 1.00 0.47 H new ATOM 0 HD11 ILE A 27 -7.827 -8.312 -3.865 1.00 0.54 H new ATOM 0 HD12 ILE A 27 -8.299 -9.650 -4.939 1.00 0.54 H new ATOM 0 HD13 ILE A 27 -6.706 -8.878 -5.126 1.00 0.54 H new ATOM 408 N THR A 28 -10.436 -6.975 -9.486 1.00 0.59 N ATOM 409 CA THR A 28 -10.662 -6.604 -10.860 1.00 0.61 C ATOM 410 C THR A 28 -9.761 -5.473 -11.304 1.00 0.58 C ATOM 411 O THR A 28 -9.105 -4.795 -10.507 1.00 0.57 O ATOM 412 CB THR A 28 -12.126 -6.200 -11.076 1.00 0.69 C ATOM 413 OG1 THR A 28 -12.965 -6.757 -10.053 1.00 0.75 O ATOM 414 CG2 THR A 28 -12.644 -6.636 -12.444 1.00 0.73 C ATOM 0 H THR A 28 -10.752 -6.289 -8.800 1.00 0.59 H new ATOM 0 HA THR A 28 -10.427 -7.481 -11.464 1.00 0.61 H new ATOM 0 HB THR A 28 -12.161 -5.112 -11.026 1.00 0.69 H new ATOM 0 HG1 THR A 28 -13.906 -6.623 -10.292 1.00 0.75 H new ATOM 0 HG21 THR A 28 -13.684 -6.329 -12.554 1.00 0.73 H new ATOM 0 HG22 THR A 28 -12.044 -6.170 -13.226 1.00 0.73 H new ATOM 0 HG23 THR A 28 -12.574 -7.720 -12.531 1.00 0.73 H new ATOM 422 N THR A 29 -9.769 -5.312 -12.612 1.00 0.58 N ATOM 423 CA THR A 29 -9.001 -4.304 -13.329 1.00 0.57 C ATOM 424 C THR A 29 -9.575 -2.889 -13.094 1.00 0.62 C ATOM 425 O THR A 29 -8.844 -1.903 -13.165 1.00 0.64 O ATOM 426 CB THR A 29 -8.928 -4.625 -14.869 1.00 0.58 C ATOM 427 OG1 THR A 29 -9.704 -3.695 -15.637 1.00 0.66 O ATOM 428 CG2 THR A 29 -9.385 -6.036 -15.208 1.00 0.59 C ATOM 0 H THR A 29 -10.329 -5.899 -13.230 1.00 0.58 H new ATOM 0 HA THR A 29 -7.986 -4.327 -12.932 1.00 0.57 H new ATOM 0 HB THR A 29 -7.873 -4.536 -15.130 1.00 0.58 H new ATOM 0 HG1 THR A 29 -10.289 -4.186 -16.251 1.00 0.66 H new ATOM 0 HG21 THR A 29 -9.311 -6.194 -16.284 1.00 0.59 H new ATOM 0 HG22 THR A 29 -8.752 -6.757 -14.691 1.00 0.59 H new ATOM 0 HG23 THR A 29 -10.420 -6.169 -14.893 1.00 0.59 H new ATOM 436 N LYS A 30 -10.884 -2.803 -12.776 1.00 0.77 N ATOM 437 CA LYS A 30 -11.552 -1.505 -12.534 1.00 0.85 C ATOM 438 C LYS A 30 -10.941 -0.745 -11.340 1.00 0.84 C ATOM 439 O LYS A 30 -10.777 0.476 -11.399 1.00 0.93 O ATOM 440 CB LYS A 30 -13.079 -1.684 -12.353 1.00 1.01 C ATOM 441 CG LYS A 30 -13.522 -2.495 -11.118 1.00 1.06 C ATOM 442 CD LYS A 30 -14.410 -3.690 -11.486 1.00 1.10 C ATOM 443 CE LYS A 30 -15.880 -3.302 -11.655 1.00 1.16 C ATOM 444 NZ LYS A 30 -16.115 -2.510 -12.896 1.00 1.66 N ATOM 0 H LYS A 30 -11.497 -3.612 -12.681 1.00 0.77 H new ATOM 0 HA LYS A 30 -11.383 -0.895 -13.422 1.00 0.85 H new ATOM 0 HB2 LYS A 30 -13.537 -0.696 -12.298 1.00 1.01 H new ATOM 0 HB3 LYS A 30 -13.476 -2.170 -13.244 1.00 1.01 H new ATOM 0 HG2 LYS A 30 -12.640 -2.852 -10.587 1.00 1.06 H new ATOM 0 HG3 LYS A 30 -14.063 -1.842 -10.434 1.00 1.06 H new ATOM 0 HD2 LYS A 30 -14.047 -4.136 -12.412 1.00 1.10 H new ATOM 0 HD3 LYS A 30 -14.326 -4.452 -10.711 1.00 1.10 H new ATOM 0 HE2 LYS A 30 -16.491 -4.204 -11.681 1.00 1.16 H new ATOM 0 HE3 LYS A 30 -16.203 -2.723 -10.790 1.00 1.16 H new ATOM 0 HZ1 LYS A 30 -17.136 -2.458 -13.086 1.00 1.66 H new ATOM 0 HZ2 LYS A 30 -15.736 -1.549 -12.772 1.00 1.66 H new ATOM 0 HZ3 LYS A 30 -15.637 -2.970 -13.697 1.00 1.66 H new ATOM 458 N GLU A 31 -10.609 -1.484 -10.271 1.00 0.82 N ATOM 459 CA GLU A 31 -10.007 -0.912 -9.069 1.00 0.87 C ATOM 460 C GLU A 31 -8.498 -0.761 -9.218 1.00 0.78 C ATOM 461 O GLU A 31 -7.926 0.222 -8.757 1.00 0.81 O ATOM 462 CB GLU A 31 -10.323 -1.786 -7.854 1.00 1.02 C ATOM 463 CG GLU A 31 -9.947 -1.222 -6.466 1.00 1.82 C ATOM 464 CD GLU A 31 -10.107 0.282 -6.276 1.00 2.69 C ATOM 465 OE1 GLU A 31 -9.315 1.042 -6.857 1.00 3.34 O ATOM 466 OE2 GLU A 31 -11.010 0.692 -5.516 1.00 3.27 O ATOM 0 H GLU A 31 -10.752 -2.493 -10.221 1.00 0.82 H new ATOM 0 HA GLU A 31 -10.434 0.080 -8.924 1.00 0.87 H new ATOM 0 HB2 GLU A 31 -11.393 -1.995 -7.856 1.00 1.02 H new ATOM 0 HB3 GLU A 31 -9.812 -2.740 -7.981 1.00 1.02 H new ATOM 0 HG2 GLU A 31 -10.556 -1.727 -5.716 1.00 1.82 H new ATOM 0 HG3 GLU A 31 -8.909 -1.483 -6.262 1.00 1.82 H new ATOM 473 N LEU A 32 -7.874 -1.736 -9.888 1.00 0.68 N ATOM 474 CA LEU A 32 -6.421 -1.770 -10.103 1.00 0.60 C ATOM 475 C LEU A 32 -5.854 -0.432 -10.548 1.00 0.66 C ATOM 476 O LEU A 32 -4.763 -0.080 -10.117 1.00 0.72 O ATOM 477 CB LEU A 32 -6.089 -2.919 -11.081 1.00 0.54 C ATOM 478 CG LEU A 32 -4.602 -3.255 -11.358 1.00 0.46 C ATOM 479 CD1 LEU A 32 -3.720 -3.129 -10.115 1.00 0.49 C ATOM 480 CD2 LEU A 32 -4.493 -4.662 -11.918 1.00 0.44 C ATOM 0 H LEU A 32 -8.365 -2.530 -10.300 1.00 0.68 H new ATOM 0 HA LEU A 32 -5.930 -1.966 -9.149 1.00 0.60 H new ATOM 0 HB2 LEU A 32 -6.567 -3.823 -10.703 1.00 0.54 H new ATOM 0 HB3 LEU A 32 -6.559 -2.686 -12.037 1.00 0.54 H new ATOM 0 HG LEU A 32 -4.240 -2.525 -12.082 1.00 0.46 H new ATOM 0 HD11 LEU A 32 -2.690 -3.377 -10.373 1.00 0.49 H new ATOM 0 HD12 LEU A 32 -3.764 -2.107 -9.740 1.00 0.49 H new ATOM 0 HD13 LEU A 32 -4.076 -3.814 -9.345 1.00 0.49 H new ATOM 0 HD21 LEU A 32 -3.446 -4.896 -12.112 1.00 0.44 H new ATOM 0 HD22 LEU A 32 -4.896 -5.373 -11.197 1.00 0.44 H new ATOM 0 HD23 LEU A 32 -5.058 -4.728 -12.848 1.00 0.44 H new ATOM 492 N GLY A 33 -6.589 0.300 -11.385 1.00 0.71 N ATOM 493 CA GLY A 33 -6.142 1.620 -11.806 1.00 0.80 C ATOM 494 C GLY A 33 -6.516 2.682 -10.814 1.00 0.83 C ATOM 495 O GLY A 33 -5.733 3.587 -10.528 1.00 0.91 O ATOM 0 H GLY A 33 -7.483 0.004 -11.778 1.00 0.71 H new ATOM 0 HA2 GLY A 33 -5.060 1.612 -11.938 1.00 0.80 H new ATOM 0 HA3 GLY A 33 -6.579 1.859 -12.775 1.00 0.80 H new ATOM 499 N THR A 34 -7.723 2.549 -10.285 1.00 0.80 N ATOM 500 CA THR A 34 -8.242 3.445 -9.258 1.00 0.84 C ATOM 501 C THR A 34 -7.350 3.378 -8.009 1.00 0.83 C ATOM 502 O THR A 34 -7.338 4.305 -7.193 1.00 0.88 O ATOM 503 CB THR A 34 -9.663 3.019 -8.864 1.00 0.87 C ATOM 504 OG1 THR A 34 -10.433 2.722 -10.036 1.00 0.89 O ATOM 505 CG2 THR A 34 -10.387 4.090 -8.047 1.00 0.96 C ATOM 0 H THR A 34 -8.375 1.813 -10.556 1.00 0.80 H new ATOM 0 HA THR A 34 -8.254 4.460 -9.655 1.00 0.84 H new ATOM 0 HB THR A 34 -9.565 2.130 -8.241 1.00 0.87 H new ATOM 0 HG1 THR A 34 -10.338 1.772 -10.258 1.00 0.89 H new ATOM 0 HG21 THR A 34 -11.388 3.740 -7.794 1.00 0.96 H new ATOM 0 HG22 THR A 34 -9.829 4.288 -7.132 1.00 0.96 H new ATOM 0 HG23 THR A 34 -10.461 5.006 -8.633 1.00 0.96 H new ATOM 513 N VAL A 35 -6.608 2.261 -7.883 1.00 0.77 N ATOM 514 CA VAL A 35 -5.706 2.048 -6.741 1.00 0.79 C ATOM 515 C VAL A 35 -4.381 2.790 -6.971 1.00 0.80 C ATOM 516 O VAL A 35 -4.009 3.712 -6.242 1.00 0.86 O ATOM 517 CB VAL A 35 -5.413 0.528 -6.561 1.00 0.76 C ATOM 518 CG1 VAL A 35 -4.258 0.264 -5.591 1.00 0.80 C ATOM 519 CG2 VAL A 35 -6.654 -0.189 -6.083 1.00 0.79 C ATOM 0 H VAL A 35 -6.617 1.496 -8.557 1.00 0.77 H new ATOM 0 HA VAL A 35 -6.190 2.433 -5.843 1.00 0.79 H new ATOM 0 HB VAL A 35 -5.115 0.144 -7.537 1.00 0.76 H new ATOM 0 HG11 VAL A 35 -4.096 -0.810 -5.502 1.00 0.80 H new ATOM 0 HG12 VAL A 35 -3.351 0.738 -5.967 1.00 0.80 H new ATOM 0 HG13 VAL A 35 -4.503 0.676 -4.612 1.00 0.80 H new ATOM 0 HG21 VAL A 35 -6.437 -1.250 -5.961 1.00 0.79 H new ATOM 0 HG22 VAL A 35 -6.970 0.229 -5.127 1.00 0.79 H new ATOM 0 HG23 VAL A 35 -7.451 -0.064 -6.815 1.00 0.79 H new ATOM 529 N MET A 36 -3.710 2.330 -8.018 1.00 0.77 N ATOM 530 CA MET A 36 -2.401 2.843 -8.494 1.00 0.81 C ATOM 531 C MET A 36 -2.357 4.339 -8.750 1.00 0.80 C ATOM 532 O MET A 36 -1.347 4.981 -8.484 1.00 0.87 O ATOM 533 CB MET A 36 -2.054 2.220 -9.847 1.00 0.87 C ATOM 534 CG MET A 36 -3.257 1.898 -10.678 1.00 0.86 C ATOM 535 SD MET A 36 -2.866 0.971 -12.179 1.00 1.10 S ATOM 536 CE MET A 36 -2.298 2.279 -13.267 1.00 1.82 C ATOM 0 H MET A 36 -4.061 1.562 -8.590 1.00 0.77 H new ATOM 0 HA MET A 36 -1.713 2.588 -7.688 1.00 0.81 H new ATOM 0 HB2 MET A 36 -1.412 2.905 -10.400 1.00 0.87 H new ATOM 0 HB3 MET A 36 -1.480 1.308 -9.683 1.00 0.87 H new ATOM 0 HG2 MET A 36 -3.961 1.322 -10.077 1.00 0.86 H new ATOM 0 HG3 MET A 36 -3.758 2.826 -10.953 1.00 0.86 H new ATOM 0 HE1 MET A 36 -2.022 1.855 -14.232 1.00 1.82 H new ATOM 0 HE2 MET A 36 -3.096 3.009 -13.406 1.00 1.82 H new ATOM 0 HE3 MET A 36 -1.431 2.769 -12.825 1.00 1.82 H new ATOM 546 N ARG A 37 -3.467 4.877 -9.260 1.00 0.79 N ATOM 547 CA ARG A 37 -3.547 6.274 -9.689 1.00 0.85 C ATOM 548 C ARG A 37 -2.916 7.288 -8.726 1.00 0.94 C ATOM 549 O ARG A 37 -2.431 8.342 -9.147 1.00 1.01 O ATOM 550 CB ARG A 37 -4.999 6.674 -9.915 1.00 0.96 C ATOM 551 CG ARG A 37 -5.512 6.424 -11.322 1.00 1.49 C ATOM 552 CD ARG A 37 -6.968 6.843 -11.458 1.00 1.68 C ATOM 553 NE ARG A 37 -7.560 6.390 -12.720 1.00 2.53 N ATOM 554 CZ ARG A 37 -8.849 6.543 -13.057 1.00 2.93 C ATOM 555 NH1 ARG A 37 -9.711 7.138 -12.234 1.00 2.47 N ATOM 556 NH2 ARG A 37 -9.277 6.093 -14.229 1.00 3.94 N ATOM 0 H ARG A 37 -4.335 4.356 -9.387 1.00 0.79 H new ATOM 0 HA ARG A 37 -2.966 6.311 -10.610 1.00 0.85 H new ATOM 0 HB2 ARG A 37 -5.626 6.127 -9.211 1.00 0.96 H new ATOM 0 HB3 ARG A 37 -5.110 7.734 -9.685 1.00 0.96 H new ATOM 0 HG2 ARG A 37 -4.903 6.977 -12.038 1.00 1.49 H new ATOM 0 HG3 ARG A 37 -5.411 5.367 -11.567 1.00 1.49 H new ATOM 0 HD2 ARG A 37 -7.540 6.437 -10.624 1.00 1.68 H new ATOM 0 HD3 ARG A 37 -7.039 7.929 -11.395 1.00 1.68 H new ATOM 0 HE ARG A 37 -6.948 5.925 -13.390 1.00 2.53 H new ATOM 0 HH11 ARG A 37 -9.395 7.487 -11.329 1.00 2.47 H new ATOM 0 HH12 ARG A 37 -10.688 7.245 -12.509 1.00 2.47 H new ATOM 0 HH21 ARG A 37 -8.627 5.634 -14.867 1.00 3.94 H new ATOM 0 HH22 ARG A 37 -10.256 6.206 -14.492 1.00 3.94 H new ATOM 570 N SER A 38 -2.938 6.946 -7.444 1.00 1.00 N ATOM 571 CA SER A 38 -2.391 7.789 -6.363 1.00 1.16 C ATOM 572 C SER A 38 -0.923 8.198 -6.566 1.00 1.17 C ATOM 573 O SER A 38 -0.497 9.238 -6.056 1.00 1.33 O ATOM 574 CB SER A 38 -2.543 7.077 -5.018 1.00 1.37 C ATOM 575 OG SER A 38 -3.905 6.807 -4.734 1.00 1.82 O ATOM 0 H SER A 38 -3.338 6.069 -7.111 1.00 1.00 H new ATOM 0 HA SER A 38 -2.971 8.711 -6.381 1.00 1.16 H new ATOM 0 HB2 SER A 38 -1.979 6.144 -5.031 1.00 1.37 H new ATOM 0 HB3 SER A 38 -2.119 7.695 -4.226 1.00 1.37 H new ATOM 0 HG SER A 38 -3.985 5.918 -4.330 1.00 1.82 H new ATOM 581 N LEU A 39 -0.162 7.384 -7.303 1.00 1.11 N ATOM 582 CA LEU A 39 1.247 7.660 -7.564 1.00 1.26 C ATOM 583 C LEU A 39 1.468 8.599 -8.764 1.00 1.23 C ATOM 584 O LEU A 39 2.520 9.239 -8.850 1.00 1.39 O ATOM 585 CB LEU A 39 2.051 6.352 -7.721 1.00 1.42 C ATOM 586 CG LEU A 39 1.383 5.189 -8.472 1.00 1.43 C ATOM 587 CD1 LEU A 39 1.367 5.424 -9.968 1.00 1.18 C ATOM 588 CD2 LEU A 39 2.084 3.879 -8.150 1.00 2.07 C ATOM 0 H LEU A 39 -0.504 6.524 -7.731 1.00 1.11 H new ATOM 0 HA LEU A 39 1.622 8.192 -6.689 1.00 1.26 H new ATOM 0 HB2 LEU A 39 2.983 6.591 -8.233 1.00 1.42 H new ATOM 0 HB3 LEU A 39 2.316 5.999 -6.724 1.00 1.42 H new ATOM 0 HG LEU A 39 0.348 5.130 -8.136 1.00 1.43 H new ATOM 0 HD11 LEU A 39 0.887 4.580 -10.464 1.00 1.18 H new ATOM 0 HD12 LEU A 39 0.813 6.337 -10.187 1.00 1.18 H new ATOM 0 HD13 LEU A 39 2.390 5.524 -10.332 1.00 1.18 H new ATOM 0 HD21 LEU A 39 1.600 3.065 -8.689 1.00 2.07 H new ATOM 0 HD22 LEU A 39 3.130 3.942 -8.451 1.00 2.07 H new ATOM 0 HD23 LEU A 39 2.026 3.689 -7.078 1.00 2.07 H new ATOM 600 N GLY A 40 0.489 8.680 -9.684 1.00 1.12 N ATOM 601 CA GLY A 40 0.610 9.595 -10.821 1.00 1.21 C ATOM 602 C GLY A 40 0.966 8.953 -12.151 1.00 1.24 C ATOM 603 O GLY A 40 1.654 9.573 -12.967 1.00 1.48 O ATOM 0 H GLY A 40 -0.373 8.135 -9.660 1.00 1.12 H new ATOM 0 HA2 GLY A 40 -0.334 10.127 -10.937 1.00 1.21 H new ATOM 0 HA3 GLY A 40 1.369 10.341 -10.584 1.00 1.21 H new ATOM 607 N GLN A 41 0.507 7.728 -12.370 1.00 1.05 N ATOM 608 CA GLN A 41 0.773 7.012 -13.631 1.00 1.08 C ATOM 609 C GLN A 41 -0.391 7.199 -14.616 1.00 1.03 C ATOM 610 O GLN A 41 -1.474 7.648 -14.227 1.00 1.04 O ATOM 611 CB GLN A 41 1.011 5.518 -13.360 1.00 1.08 C ATOM 612 CG GLN A 41 1.839 4.810 -14.428 1.00 1.30 C ATOM 613 CD GLN A 41 1.962 3.320 -14.175 1.00 2.18 C ATOM 614 OE1 GLN A 41 2.887 2.867 -13.502 1.00 2.69 O ATOM 615 NE2 GLN A 41 1.025 2.549 -14.714 1.00 3.01 N ATOM 0 H GLN A 41 -0.051 7.202 -11.698 1.00 1.05 H new ATOM 0 HA GLN A 41 1.673 7.431 -14.080 1.00 1.08 H new ATOM 0 HB2 GLN A 41 1.512 5.411 -12.398 1.00 1.08 H new ATOM 0 HB3 GLN A 41 0.046 5.018 -13.274 1.00 1.08 H new ATOM 0 HG2 GLN A 41 1.382 4.973 -15.404 1.00 1.30 H new ATOM 0 HG3 GLN A 41 2.834 5.252 -14.464 1.00 1.30 H new ATOM 0 HE21 GLN A 41 0.275 2.967 -15.265 1.00 3.01 H new ATOM 0 HE22 GLN A 41 1.055 1.539 -14.577 1.00 3.01 H new ATOM 624 N ASN A 42 -0.153 6.848 -15.895 1.00 1.26 N ATOM 625 CA ASN A 42 -1.170 6.960 -16.951 1.00 1.34 C ATOM 626 C ASN A 42 -2.278 5.902 -16.743 1.00 0.89 C ATOM 627 O ASN A 42 -2.032 4.705 -16.934 1.00 1.50 O ATOM 628 CB ASN A 42 -0.518 6.802 -18.334 1.00 2.22 C ATOM 629 CG ASN A 42 -1.320 7.462 -19.443 1.00 3.03 C ATOM 630 OD1 ASN A 42 -2.192 6.839 -20.049 1.00 3.77 O ATOM 631 ND2 ASN A 42 -1.026 8.728 -19.713 1.00 3.37 N ATOM 0 H ASN A 42 0.742 6.482 -16.220 1.00 1.26 H new ATOM 0 HA ASN A 42 -1.627 7.948 -16.897 1.00 1.34 H new ATOM 0 HB2 ASN A 42 0.483 7.233 -18.310 1.00 2.22 H new ATOM 0 HB3 ASN A 42 -0.403 5.741 -18.557 1.00 2.22 H new ATOM 0 HD21 ASN A 42 -1.531 9.223 -20.448 1.00 3.37 H new ATOM 0 HD22 ASN A 42 -0.295 9.206 -19.185 1.00 3.37 H new ATOM 638 N PRO A 43 -3.513 6.325 -16.333 1.00 1.06 N ATOM 639 CA PRO A 43 -4.618 5.390 -16.079 1.00 1.66 C ATOM 640 C PRO A 43 -5.373 4.931 -17.341 1.00 1.29 C ATOM 641 O PRO A 43 -6.366 5.547 -17.752 1.00 1.26 O ATOM 642 CB PRO A 43 -5.529 6.193 -15.141 1.00 2.73 C ATOM 643 CG PRO A 43 -5.319 7.627 -15.509 1.00 2.76 C ATOM 644 CD PRO A 43 -3.918 7.734 -16.063 1.00 1.85 C ATOM 0 HA PRO A 43 -4.256 4.450 -15.663 1.00 1.66 H new ATOM 0 HB2 PRO A 43 -6.573 5.905 -15.266 1.00 2.73 H new ATOM 0 HB3 PRO A 43 -5.272 6.014 -14.097 1.00 2.73 H new ATOM 0 HG2 PRO A 43 -6.053 7.948 -16.248 1.00 2.76 H new ATOM 0 HG3 PRO A 43 -5.441 8.271 -14.638 1.00 2.76 H new ATOM 0 HD2 PRO A 43 -3.896 8.334 -16.973 1.00 1.85 H new ATOM 0 HD3 PRO A 43 -3.245 8.211 -15.350 1.00 1.85 H new ATOM 652 N THR A 44 -4.872 3.855 -17.962 1.00 1.26 N ATOM 653 CA THR A 44 -5.502 3.269 -19.138 1.00 1.00 C ATOM 654 C THR A 44 -6.527 2.217 -18.728 1.00 0.85 C ATOM 655 O THR A 44 -6.456 1.664 -17.626 1.00 0.89 O ATOM 656 CB THR A 44 -4.473 2.619 -20.082 1.00 1.17 C ATOM 657 OG1 THR A 44 -3.138 2.819 -19.599 1.00 1.51 O ATOM 658 CG2 THR A 44 -4.591 3.210 -21.459 1.00 1.33 C ATOM 0 H THR A 44 -4.024 3.374 -17.661 1.00 1.26 H new ATOM 0 HA THR A 44 -5.994 4.084 -19.670 1.00 1.00 H new ATOM 0 HB THR A 44 -4.680 1.549 -20.120 1.00 1.17 H new ATOM 0 HG1 THR A 44 -2.501 2.397 -20.213 1.00 1.51 H new ATOM 0 HG21 THR A 44 -3.859 2.744 -22.119 1.00 1.33 H new ATOM 0 HG22 THR A 44 -5.594 3.032 -21.846 1.00 1.33 H new ATOM 0 HG23 THR A 44 -4.405 4.283 -21.412 1.00 1.33 H new ATOM 666 N GLU A 45 -7.475 1.947 -19.627 1.00 0.76 N ATOM 667 CA GLU A 45 -8.540 0.971 -19.376 1.00 0.72 C ATOM 668 C GLU A 45 -8.059 -0.441 -19.658 1.00 0.71 C ATOM 669 O GLU A 45 -8.547 -1.405 -19.063 1.00 0.70 O ATOM 670 CB GLU A 45 -9.793 1.288 -20.205 1.00 0.79 C ATOM 671 CG GLU A 45 -10.548 2.534 -19.748 1.00 0.85 C ATOM 672 CD GLU A 45 -11.425 2.284 -18.532 1.00 1.41 C ATOM 673 OE1 GLU A 45 -12.604 1.916 -18.716 1.00 2.03 O ATOM 674 OE2 GLU A 45 -10.931 2.457 -17.398 1.00 1.97 O ATOM 0 H GLU A 45 -7.528 2.394 -20.542 1.00 0.76 H new ATOM 0 HA GLU A 45 -8.807 1.039 -18.321 1.00 0.72 H new ATOM 0 HB2 GLU A 45 -9.502 1.415 -21.248 1.00 0.79 H new ATOM 0 HB3 GLU A 45 -10.468 0.433 -20.164 1.00 0.79 H new ATOM 0 HG2 GLU A 45 -9.831 3.322 -19.516 1.00 0.85 H new ATOM 0 HG3 GLU A 45 -11.168 2.898 -20.568 1.00 0.85 H new ATOM 681 N ALA A 46 -7.144 -0.561 -20.609 1.00 0.75 N ATOM 682 CA ALA A 46 -6.555 -1.833 -20.929 1.00 0.78 C ATOM 683 C ALA A 46 -5.338 -2.089 -20.063 1.00 0.76 C ATOM 684 O ALA A 46 -4.921 -3.227 -19.937 1.00 0.77 O ATOM 685 CB ALA A 46 -6.217 -1.931 -22.409 1.00 0.90 C ATOM 0 H ALA A 46 -6.798 0.218 -21.170 1.00 0.75 H new ATOM 0 HA ALA A 46 -7.289 -2.610 -20.716 1.00 0.78 H new ATOM 0 HB1 ALA A 46 -5.773 -2.905 -22.617 1.00 0.90 H new ATOM 0 HB2 ALA A 46 -7.126 -1.813 -22.998 1.00 0.90 H new ATOM 0 HB3 ALA A 46 -5.509 -1.146 -22.673 1.00 0.90 H new ATOM 691 N GLU A 47 -4.777 -1.024 -19.449 1.00 0.77 N ATOM 692 CA GLU A 47 -3.599 -1.184 -18.564 1.00 0.81 C ATOM 693 C GLU A 47 -3.907 -2.040 -17.352 1.00 0.68 C ATOM 694 O GLU A 47 -3.012 -2.649 -16.789 1.00 0.62 O ATOM 695 CB GLU A 47 -3.041 0.166 -18.101 1.00 0.95 C ATOM 696 CG GLU A 47 -1.599 0.424 -18.525 1.00 1.30 C ATOM 697 CD GLU A 47 -0.584 -0.273 -17.634 1.00 1.55 C ATOM 698 OE1 GLU A 47 -0.101 0.365 -16.675 1.00 2.16 O ATOM 699 OE2 GLU A 47 -0.276 -1.455 -17.895 1.00 2.13 O ATOM 0 H GLU A 47 -5.110 -0.065 -19.545 1.00 0.77 H new ATOM 0 HA GLU A 47 -2.843 -1.689 -19.166 1.00 0.81 H new ATOM 0 HB2 GLU A 47 -3.672 0.962 -18.496 1.00 0.95 H new ATOM 0 HB3 GLU A 47 -3.104 0.219 -17.014 1.00 0.95 H new ATOM 0 HG2 GLU A 47 -1.463 0.088 -19.553 1.00 1.30 H new ATOM 0 HG3 GLU A 47 -1.409 1.497 -18.512 1.00 1.30 H new ATOM 706 N LEU A 48 -5.173 -2.077 -16.971 1.00 0.66 N ATOM 707 CA LEU A 48 -5.641 -2.866 -15.843 1.00 0.59 C ATOM 708 C LEU A 48 -5.985 -4.269 -16.325 1.00 0.55 C ATOM 709 O LEU A 48 -5.611 -5.255 -15.684 1.00 0.56 O ATOM 710 CB LEU A 48 -6.825 -2.166 -15.203 1.00 0.61 C ATOM 711 CG LEU A 48 -7.042 -0.711 -15.615 1.00 0.76 C ATOM 712 CD1 LEU A 48 -8.303 -0.606 -16.372 1.00 0.87 C ATOM 713 CD2 LEU A 48 -7.067 0.201 -14.428 1.00 1.24 C ATOM 0 H LEU A 48 -5.913 -1.555 -17.441 1.00 0.66 H new ATOM 0 HA LEU A 48 -4.865 -2.960 -15.083 1.00 0.59 H new ATOM 0 HB2 LEU A 48 -7.727 -2.729 -15.441 1.00 0.61 H new ATOM 0 HB3 LEU A 48 -6.702 -2.203 -14.121 1.00 0.61 H new ATOM 0 HG LEU A 48 -6.207 -0.400 -16.243 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -8.464 0.430 -16.669 1.00 0.87 H new ATOM 0 HD12 LEU A 48 -8.247 -1.234 -17.261 1.00 0.87 H new ATOM 0 HD13 LEU A 48 -9.132 -0.937 -15.746 1.00 0.87 H new ATOM 0 HD21 LEU A 48 -7.223 1.227 -14.761 1.00 1.24 H new ATOM 0 HD22 LEU A 48 -7.878 -0.092 -13.761 1.00 1.24 H new ATOM 0 HD23 LEU A 48 -6.118 0.133 -13.897 1.00 1.24 H new ATOM 725 N GLN A 49 -6.705 -4.354 -17.465 1.00 0.57 N ATOM 726 CA GLN A 49 -7.011 -5.645 -18.095 1.00 0.60 C ATOM 727 C GLN A 49 -5.690 -6.283 -18.550 1.00 0.59 C ATOM 728 O GLN A 49 -5.587 -7.503 -18.700 1.00 0.61 O ATOM 729 CB GLN A 49 -7.959 -5.476 -19.291 1.00 0.67 C ATOM 730 CG GLN A 49 -9.329 -4.911 -18.934 1.00 0.80 C ATOM 731 CD GLN A 49 -10.127 -4.502 -20.156 1.00 1.03 C ATOM 732 OE1 GLN A 49 -10.905 -5.434 -20.694 1.00 1.67 O flip ATOM 733 NE2 GLN A 49 -10.045 -3.362 -20.612 1.00 1.52 N flip ATOM 0 H GLN A 49 -7.081 -3.546 -17.961 1.00 0.57 H new ATOM 0 HA GLN A 49 -7.515 -6.287 -17.372 1.00 0.60 H new ATOM 0 HB2 GLN A 49 -7.488 -4.819 -20.022 1.00 0.67 H new ATOM 0 HB3 GLN A 49 -8.093 -6.445 -19.772 1.00 0.67 H new ATOM 0 HG2 GLN A 49 -9.890 -5.657 -18.371 1.00 0.80 H new ATOM 0 HG3 GLN A 49 -9.203 -4.047 -18.281 1.00 0.80 H new ATOM 0 HE21 GLN A 49 -9.434 -2.677 -20.167 1.00 1.52 H new ATOM 0 HE22 GLN A 49 -10.588 -3.102 -21.435 1.00 1.52 H new ATOM 742 N ASP A 50 -4.687 -5.405 -18.763 1.00 0.58 N ATOM 743 CA ASP A 50 -3.334 -5.804 -19.130 1.00 0.57 C ATOM 744 C ASP A 50 -2.530 -6.072 -17.862 1.00 0.49 C ATOM 745 O ASP A 50 -1.736 -7.017 -17.829 1.00 0.48 O ATOM 746 CB ASP A 50 -2.629 -4.745 -19.978 1.00 0.63 C ATOM 747 CG ASP A 50 -2.844 -4.957 -21.464 1.00 1.03 C ATOM 748 OD1 ASP A 50 -3.812 -4.390 -22.013 1.00 1.83 O ATOM 749 OD2 ASP A 50 -2.042 -5.691 -22.080 1.00 1.48 O ATOM 0 H ASP A 50 -4.806 -4.395 -18.682 1.00 0.58 H new ATOM 0 HA ASP A 50 -3.403 -6.708 -19.735 1.00 0.57 H new ATOM 0 HB2 ASP A 50 -2.995 -3.757 -19.698 1.00 0.63 H new ATOM 0 HB3 ASP A 50 -1.561 -4.763 -19.762 1.00 0.63 H new ATOM 754 N MET A 51 -2.722 -5.230 -16.802 1.00 0.45 N ATOM 755 CA MET A 51 -2.003 -5.476 -15.521 1.00 0.41 C ATOM 756 C MET A 51 -2.407 -6.826 -14.918 1.00 0.39 C ATOM 757 O MET A 51 -1.592 -7.478 -14.260 1.00 0.38 O ATOM 758 CB MET A 51 -2.173 -4.362 -14.464 1.00 0.41 C ATOM 759 CG MET A 51 -1.281 -3.151 -14.704 1.00 0.48 C ATOM 760 SD MET A 51 0.477 -3.556 -14.662 1.00 1.31 S ATOM 761 CE MET A 51 1.192 -2.008 -15.210 1.00 1.31 C ATOM 0 H MET A 51 -3.337 -4.416 -16.807 1.00 0.45 H new ATOM 0 HA MET A 51 -0.947 -5.483 -15.789 1.00 0.41 H new ATOM 0 HB2 MET A 51 -3.214 -4.039 -14.453 1.00 0.41 H new ATOM 0 HB3 MET A 51 -1.956 -4.773 -13.478 1.00 0.41 H new ATOM 0 HG2 MET A 51 -1.525 -2.712 -15.672 1.00 0.48 H new ATOM 0 HG3 MET A 51 -1.493 -2.394 -13.948 1.00 0.48 H new ATOM 0 HE1 MET A 51 2.223 -1.940 -14.863 1.00 1.31 H new ATOM 0 HE2 MET A 51 1.172 -1.963 -16.299 1.00 1.31 H new ATOM 0 HE3 MET A 51 0.617 -1.177 -14.802 1.00 1.31 H new ATOM 771 N ILE A 52 -3.667 -7.236 -15.146 1.00 0.41 N ATOM 772 CA ILE A 52 -4.154 -8.531 -14.658 1.00 0.42 C ATOM 773 C ILE A 52 -3.836 -9.662 -15.659 1.00 0.46 C ATOM 774 O ILE A 52 -3.905 -10.838 -15.314 1.00 0.49 O ATOM 775 CB ILE A 52 -5.668 -8.542 -14.338 1.00 0.45 C ATOM 776 CG1 ILE A 52 -6.031 -7.355 -13.426 1.00 0.45 C ATOM 777 CG2 ILE A 52 -6.054 -9.862 -13.699 1.00 0.47 C ATOM 778 CD1 ILE A 52 -6.922 -7.651 -12.210 1.00 0.48 C ATOM 0 H ILE A 52 -4.359 -6.692 -15.661 1.00 0.41 H new ATOM 0 HA ILE A 52 -3.622 -8.704 -13.722 1.00 0.42 H new ATOM 0 HB ILE A 52 -6.230 -8.435 -15.266 1.00 0.45 H new ATOM 0 HG12 ILE A 52 -5.104 -6.910 -13.065 1.00 0.45 H new ATOM 0 HG13 ILE A 52 -6.530 -6.601 -14.035 1.00 0.45 H new ATOM 0 HG21 ILE A 52 -7.121 -9.861 -13.477 1.00 0.47 H new ATOM 0 HG22 ILE A 52 -5.827 -10.678 -14.385 1.00 0.47 H new ATOM 0 HG23 ILE A 52 -5.492 -9.997 -12.775 1.00 0.47 H new ATOM 0 HD11 ILE A 52 -7.099 -6.729 -11.656 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -7.874 -8.060 -12.548 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -6.426 -8.374 -11.563 1.00 0.48 H new ATOM 790 N ASN A 53 -3.468 -9.290 -16.888 1.00 0.49 N ATOM 791 CA ASN A 53 -3.173 -10.231 -17.958 1.00 0.56 C ATOM 792 C ASN A 53 -1.900 -11.024 -17.699 1.00 0.58 C ATOM 793 O ASN A 53 -1.891 -12.253 -17.785 1.00 0.65 O ATOM 794 CB ASN A 53 -2.998 -9.419 -19.214 1.00 0.58 C ATOM 795 CG ASN A 53 -3.854 -9.898 -20.369 1.00 0.65 C ATOM 796 OD1 ASN A 53 -3.313 -10.813 -21.166 1.00 1.27 O flip ATOM 797 ND2 ASN A 53 -4.988 -9.452 -20.544 1.00 1.35 N flip ATOM 0 H ASN A 53 -3.367 -8.314 -17.166 1.00 0.49 H new ATOM 0 HA ASN A 53 -3.987 -10.952 -18.035 1.00 0.56 H new ATOM 0 HB2 ASN A 53 -3.240 -8.378 -19.000 1.00 0.58 H new ATOM 0 HB3 ASN A 53 -1.950 -9.448 -19.513 1.00 0.58 H new ATOM 0 HD21 ASN A 53 -5.364 -8.750 -19.907 1.00 1.35 H new ATOM 0 HD22 ASN A 53 -5.552 -9.785 -21.326 1.00 1.35 H new ATOM 804 N GLU A 54 -0.826 -10.292 -17.399 1.00 0.55 N ATOM 805 CA GLU A 54 0.485 -10.902 -17.126 1.00 0.59 C ATOM 806 C GLU A 54 0.575 -11.513 -15.736 1.00 0.57 C ATOM 807 O GLU A 54 1.388 -12.414 -15.505 1.00 0.62 O ATOM 808 CB GLU A 54 1.620 -9.896 -17.343 1.00 0.61 C ATOM 809 CG GLU A 54 1.879 -9.566 -18.807 1.00 0.79 C ATOM 810 CD GLU A 54 3.005 -8.568 -18.989 1.00 1.15 C ATOM 811 OE1 GLU A 54 2.724 -7.351 -19.001 1.00 1.78 O ATOM 812 OE2 GLU A 54 4.169 -9.003 -19.118 1.00 1.82 O ATOM 0 H GLU A 54 -0.834 -9.274 -17.338 1.00 0.55 H new ATOM 0 HA GLU A 54 0.596 -11.717 -17.841 1.00 0.59 H new ATOM 0 HB2 GLU A 54 1.384 -8.975 -16.809 1.00 0.61 H new ATOM 0 HB3 GLU A 54 2.534 -10.294 -16.903 1.00 0.61 H new ATOM 0 HG2 GLU A 54 2.120 -10.483 -19.345 1.00 0.79 H new ATOM 0 HG3 GLU A 54 0.968 -9.166 -19.252 1.00 0.79 H new ATOM 819 N VAL A 55 -0.250 -11.025 -14.826 1.00 0.50 N ATOM 820 CA VAL A 55 -0.296 -11.563 -13.473 1.00 0.48 C ATOM 821 C VAL A 55 -1.668 -12.228 -13.308 1.00 0.48 C ATOM 822 O VAL A 55 -2.250 -12.266 -12.223 1.00 0.45 O ATOM 823 CB VAL A 55 -0.043 -10.466 -12.387 1.00 0.44 C ATOM 824 CG1 VAL A 55 0.419 -11.099 -11.077 1.00 0.47 C ATOM 825 CG2 VAL A 55 0.991 -9.445 -12.854 1.00 0.48 C ATOM 0 H VAL A 55 -0.898 -10.257 -14.997 1.00 0.50 H new ATOM 0 HA VAL A 55 0.504 -12.289 -13.328 1.00 0.48 H new ATOM 0 HB VAL A 55 -0.989 -9.949 -12.223 1.00 0.44 H new ATOM 0 HG11 VAL A 55 0.589 -10.318 -10.336 1.00 0.47 H new ATOM 0 HG12 VAL A 55 -0.347 -11.784 -10.714 1.00 0.47 H new ATOM 0 HG13 VAL A 55 1.346 -11.648 -11.245 1.00 0.47 H new ATOM 0 HG21 VAL A 55 1.142 -8.698 -12.075 1.00 0.48 H new ATOM 0 HG22 VAL A 55 1.934 -9.951 -13.060 1.00 0.48 H new ATOM 0 HG23 VAL A 55 0.636 -8.956 -13.761 1.00 0.48 H new ATOM 835 N ASP A 56 -2.137 -12.805 -14.432 1.00 0.55 N ATOM 836 CA ASP A 56 -3.461 -13.450 -14.528 1.00 0.60 C ATOM 837 C ASP A 56 -3.684 -14.639 -13.581 1.00 0.61 C ATOM 838 O ASP A 56 -3.035 -15.685 -13.701 1.00 0.65 O ATOM 839 CB ASP A 56 -3.737 -13.876 -15.987 1.00 0.75 C ATOM 840 CG ASP A 56 -2.712 -14.858 -16.549 1.00 0.98 C ATOM 841 OD1 ASP A 56 -1.509 -14.523 -16.561 1.00 1.58 O ATOM 842 OD2 ASP A 56 -3.119 -15.960 -16.976 1.00 1.87 O ATOM 0 H ASP A 56 -1.606 -12.837 -15.302 1.00 0.55 H new ATOM 0 HA ASP A 56 -4.172 -12.691 -14.202 1.00 0.60 H new ATOM 0 HB2 ASP A 56 -4.727 -14.328 -16.042 1.00 0.75 H new ATOM 0 HB3 ASP A 56 -3.757 -12.987 -16.617 1.00 0.75 H new ATOM 847 N ALA A 57 -4.607 -14.438 -12.628 1.00 0.59 N ATOM 848 CA ALA A 57 -5.012 -15.485 -11.685 1.00 0.62 C ATOM 849 C ALA A 57 -6.150 -16.287 -12.298 1.00 0.68 C ATOM 850 O ALA A 57 -6.132 -17.521 -12.329 1.00 0.74 O ATOM 851 CB ALA A 57 -5.462 -14.875 -10.365 1.00 0.60 C ATOM 0 H ALA A 57 -5.090 -13.550 -12.492 1.00 0.59 H new ATOM 0 HA ALA A 57 -4.161 -16.137 -11.487 1.00 0.62 H new ATOM 0 HB1 ALA A 57 -5.758 -15.669 -9.680 1.00 0.60 H new ATOM 0 HB2 ALA A 57 -4.641 -14.306 -9.928 1.00 0.60 H new ATOM 0 HB3 ALA A 57 -6.309 -14.212 -10.541 1.00 0.60 H new ATOM 857 N ASP A 58 -7.130 -15.532 -12.778 1.00 0.68 N ATOM 858 CA ASP A 58 -8.306 -16.063 -13.448 1.00 0.75 C ATOM 859 C ASP A 58 -8.309 -15.591 -14.913 1.00 0.75 C ATOM 860 O ASP A 58 -8.932 -16.210 -15.780 1.00 0.83 O ATOM 861 CB ASP A 58 -9.553 -15.613 -12.666 1.00 0.77 C ATOM 862 CG ASP A 58 -10.871 -15.855 -13.390 1.00 0.90 C ATOM 863 OD1 ASP A 58 -11.230 -17.034 -13.592 1.00 1.36 O ATOM 864 OD2 ASP A 58 -11.541 -14.865 -13.748 1.00 1.62 O ATOM 0 H ASP A 58 -7.128 -14.514 -12.710 1.00 0.68 H new ATOM 0 HA ASP A 58 -8.302 -17.153 -13.467 1.00 0.75 H new ATOM 0 HB2 ASP A 58 -9.576 -16.137 -11.710 1.00 0.77 H new ATOM 0 HB3 ASP A 58 -9.464 -14.549 -12.445 1.00 0.77 H new ATOM 869 N GLY A 59 -7.596 -14.480 -15.148 1.00 0.68 N ATOM 870 CA GLY A 59 -7.412 -13.906 -16.474 1.00 0.68 C ATOM 871 C GLY A 59 -8.641 -13.312 -17.103 1.00 0.72 C ATOM 872 O GLY A 59 -8.638 -13.006 -18.300 1.00 0.75 O ATOM 0 H GLY A 59 -7.129 -13.954 -14.409 1.00 0.68 H new ATOM 0 HA2 GLY A 59 -6.648 -13.131 -16.412 1.00 0.68 H new ATOM 0 HA3 GLY A 59 -7.026 -14.682 -17.135 1.00 0.68 H new ATOM 876 N ASN A 60 -9.691 -13.151 -16.309 1.00 0.73 N ATOM 877 CA ASN A 60 -10.891 -12.507 -16.774 1.00 0.78 C ATOM 878 C ASN A 60 -10.805 -11.056 -16.340 1.00 0.72 C ATOM 879 O ASN A 60 -11.791 -10.307 -16.326 1.00 0.77 O ATOM 880 CB ASN A 60 -12.152 -13.195 -16.231 1.00 0.86 C ATOM 881 CG ASN A 60 -12.367 -14.576 -16.824 1.00 1.28 C ATOM 882 OD1 ASN A 60 -11.887 -15.575 -16.288 1.00 1.86 O ATOM 883 ND2 ASN A 60 -13.090 -14.637 -17.935 1.00 2.03 N ATOM 0 H ASN A 60 -9.726 -13.462 -15.338 1.00 0.73 H new ATOM 0 HA ASN A 60 -10.969 -12.576 -17.859 1.00 0.78 H new ATOM 0 HB2 ASN A 60 -12.078 -13.277 -15.147 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -13.021 -12.573 -16.445 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -13.267 -15.538 -18.379 1.00 2.03 H new ATOM 0 HD22 ASN A 60 -13.468 -13.783 -18.345 1.00 2.03 H new ATOM 890 N GLY A 61 -9.560 -10.688 -16.009 1.00 0.64 N ATOM 891 CA GLY A 61 -9.251 -9.363 -15.534 1.00 0.59 C ATOM 892 C GLY A 61 -9.363 -9.299 -14.032 1.00 0.56 C ATOM 893 O GLY A 61 -9.646 -8.255 -13.444 1.00 0.56 O ATOM 0 H GLY A 61 -8.753 -11.309 -16.068 1.00 0.64 H new ATOM 0 HA2 GLY A 61 -8.242 -9.087 -15.841 1.00 0.59 H new ATOM 0 HA3 GLY A 61 -9.931 -8.641 -15.986 1.00 0.59 H new ATOM 897 N THR A 62 -9.159 -10.458 -13.433 1.00 0.56 N ATOM 898 CA THR A 62 -9.245 -10.621 -12.000 1.00 0.54 C ATOM 899 C THR A 62 -8.025 -11.305 -11.425 1.00 0.50 C ATOM 900 O THR A 62 -7.479 -12.239 -12.020 1.00 0.51 O ATOM 901 CB THR A 62 -10.471 -11.433 -11.579 1.00 0.59 C ATOM 902 OG1 THR A 62 -11.010 -12.167 -12.688 1.00 0.65 O ATOM 903 CG2 THR A 62 -11.534 -10.525 -10.985 1.00 0.62 C ATOM 0 H THR A 62 -8.928 -11.316 -13.934 1.00 0.56 H new ATOM 0 HA THR A 62 -9.320 -9.607 -11.608 1.00 0.54 H new ATOM 0 HB THR A 62 -10.154 -12.147 -10.819 1.00 0.59 H new ATOM 0 HG1 THR A 62 -11.792 -12.679 -12.393 1.00 0.65 H new ATOM 0 HG21 THR A 62 -12.398 -11.120 -10.691 1.00 0.62 H new ATOM 0 HG22 THR A 62 -11.130 -10.016 -10.110 1.00 0.62 H new ATOM 0 HG23 THR A 62 -11.837 -9.786 -11.727 1.00 0.62 H new ATOM 911 N ILE A 63 -7.611 -10.820 -10.261 1.00 0.47 N ATOM 912 CA ILE A 63 -6.483 -11.361 -9.552 1.00 0.45 C ATOM 913 C ILE A 63 -6.910 -11.721 -8.129 1.00 0.46 C ATOM 914 O ILE A 63 -7.692 -11.010 -7.493 1.00 0.48 O ATOM 915 CB ILE A 63 -5.286 -10.380 -9.575 1.00 0.41 C ATOM 916 CG1 ILE A 63 -3.992 -11.091 -9.980 1.00 0.40 C ATOM 917 CG2 ILE A 63 -5.116 -9.694 -8.241 1.00 0.43 C ATOM 918 CD1 ILE A 63 -2.855 -10.138 -10.298 1.00 0.42 C ATOM 0 H ILE A 63 -8.059 -10.035 -9.788 1.00 0.47 H new ATOM 0 HA ILE A 63 -6.142 -12.270 -10.048 1.00 0.45 H new ATOM 0 HB ILE A 63 -5.504 -9.619 -10.324 1.00 0.41 H new ATOM 0 HG12 ILE A 63 -3.684 -11.756 -9.173 1.00 0.40 H new ATOM 0 HG13 ILE A 63 -4.187 -11.716 -10.852 1.00 0.40 H new ATOM 0 HG21 ILE A 63 -4.268 -9.011 -8.288 1.00 0.43 H new ATOM 0 HG22 ILE A 63 -6.020 -9.133 -8.002 1.00 0.43 H new ATOM 0 HG23 ILE A 63 -4.938 -10.441 -7.468 1.00 0.43 H new ATOM 0 HD11 ILE A 63 -1.969 -10.709 -10.577 1.00 0.42 H new ATOM 0 HD12 ILE A 63 -3.144 -9.489 -11.125 1.00 0.42 H new ATOM 0 HD13 ILE A 63 -2.633 -9.530 -9.421 1.00 0.42 H new ATOM 930 N ASP A 64 -6.411 -12.843 -7.677 1.00 0.48 N ATOM 931 CA ASP A 64 -6.711 -13.378 -6.355 1.00 0.51 C ATOM 932 C ASP A 64 -5.592 -13.042 -5.357 1.00 0.54 C ATOM 933 O ASP A 64 -4.668 -12.294 -5.688 1.00 0.54 O ATOM 934 CB ASP A 64 -6.908 -14.888 -6.481 1.00 0.57 C ATOM 935 CG ASP A 64 -8.283 -15.253 -7.004 1.00 0.65 C ATOM 936 OD1 ASP A 64 -9.203 -15.434 -6.179 1.00 1.25 O ATOM 937 OD2 ASP A 64 -8.440 -15.358 -8.238 1.00 1.33 O ATOM 0 H ASP A 64 -5.774 -13.427 -8.219 1.00 0.48 H new ATOM 0 HA ASP A 64 -7.623 -12.922 -5.970 1.00 0.51 H new ATOM 0 HB2 ASP A 64 -6.149 -15.296 -7.149 1.00 0.57 H new ATOM 0 HB3 ASP A 64 -6.758 -15.353 -5.507 1.00 0.57 H new ATOM 942 N PHE A 65 -5.681 -13.604 -4.137 1.00 0.62 N ATOM 943 CA PHE A 65 -4.690 -13.364 -3.073 1.00 0.73 C ATOM 944 C PHE A 65 -3.297 -14.003 -3.349 1.00 0.78 C ATOM 945 O PHE A 65 -2.292 -13.408 -2.951 1.00 0.86 O ATOM 946 CB PHE A 65 -5.235 -13.819 -1.700 1.00 0.82 C ATOM 947 CG PHE A 65 -5.757 -15.235 -1.648 1.00 0.82 C ATOM 948 CD1 PHE A 65 -4.949 -16.268 -1.201 1.00 1.39 C ATOM 949 CD2 PHE A 65 -7.053 -15.526 -2.044 1.00 1.51 C ATOM 950 CE1 PHE A 65 -5.423 -17.565 -1.150 1.00 1.43 C ATOM 951 CE2 PHE A 65 -7.533 -16.821 -1.995 1.00 1.52 C ATOM 952 CZ PHE A 65 -6.717 -17.842 -1.548 1.00 0.90 C ATOM 0 H PHE A 65 -6.436 -14.233 -3.863 1.00 0.62 H new ATOM 0 HA PHE A 65 -4.528 -12.286 -3.059 1.00 0.73 H new ATOM 0 HB2 PHE A 65 -4.441 -13.715 -0.960 1.00 0.82 H new ATOM 0 HB3 PHE A 65 -6.037 -13.143 -1.404 1.00 0.82 H new ATOM 0 HD1 PHE A 65 -3.937 -16.057 -0.889 1.00 1.39 H new ATOM 0 HD2 PHE A 65 -7.695 -14.732 -2.395 1.00 1.51 H new ATOM 0 HE1 PHE A 65 -4.783 -18.361 -0.800 1.00 1.43 H new ATOM 0 HE2 PHE A 65 -8.545 -17.035 -2.306 1.00 1.52 H new ATOM 0 HZ PHE A 65 -7.090 -18.855 -1.510 1.00 0.90 H new ATOM 962 N PRO A 66 -3.182 -15.205 -4.024 1.00 0.79 N ATOM 963 CA PRO A 66 -1.867 -15.834 -4.299 1.00 0.89 C ATOM 964 C PRO A 66 -1.018 -15.063 -5.319 1.00 0.79 C ATOM 965 O PRO A 66 0.212 -15.084 -5.239 1.00 0.82 O ATOM 966 CB PRO A 66 -2.226 -17.222 -4.855 1.00 0.98 C ATOM 967 CG PRO A 66 -3.664 -17.424 -4.526 1.00 0.91 C ATOM 968 CD PRO A 66 -4.273 -16.057 -4.549 1.00 0.75 C ATOM 0 HA PRO A 66 -1.258 -15.859 -3.395 1.00 0.89 H new ATOM 0 HB2 PRO A 66 -2.060 -17.268 -5.931 1.00 0.98 H new ATOM 0 HB3 PRO A 66 -1.608 -17.998 -4.403 1.00 0.98 H new ATOM 0 HG2 PRO A 66 -4.145 -18.080 -5.252 1.00 0.91 H new ATOM 0 HG3 PRO A 66 -3.781 -17.890 -3.548 1.00 0.91 H new ATOM 0 HD2 PRO A 66 -4.568 -15.762 -5.556 1.00 0.75 H new ATOM 0 HD3 PRO A 66 -5.166 -16.001 -3.926 1.00 0.75 H new ATOM 976 N GLU A 67 -1.683 -14.397 -6.277 1.00 0.69 N ATOM 977 CA GLU A 67 -1.003 -13.618 -7.309 1.00 0.63 C ATOM 978 C GLU A 67 -0.756 -12.172 -6.865 1.00 0.62 C ATOM 979 O GLU A 67 0.354 -11.658 -7.026 1.00 0.66 O ATOM 980 CB GLU A 67 -1.794 -13.655 -8.610 1.00 0.61 C ATOM 981 CG GLU A 67 -1.461 -14.841 -9.508 1.00 0.70 C ATOM 982 CD GLU A 67 -0.186 -14.640 -10.309 1.00 1.12 C ATOM 983 OE1 GLU A 67 0.900 -14.982 -9.794 1.00 1.71 O ATOM 984 OE2 GLU A 67 -0.274 -14.142 -11.451 1.00 1.94 O ATOM 0 H GLU A 67 -2.700 -14.387 -6.353 1.00 0.69 H new ATOM 0 HA GLU A 67 -0.028 -14.075 -7.477 1.00 0.63 H new ATOM 0 HB2 GLU A 67 -2.858 -13.679 -8.375 1.00 0.61 H new ATOM 0 HB3 GLU A 67 -1.610 -12.733 -9.161 1.00 0.61 H new ATOM 0 HG2 GLU A 67 -1.361 -15.737 -8.895 1.00 0.70 H new ATOM 0 HG3 GLU A 67 -2.290 -15.015 -10.193 1.00 0.70 H new ATOM 991 N PHE A 68 -1.812 -11.524 -6.327 1.00 0.63 N ATOM 992 CA PHE A 68 -1.769 -10.136 -5.817 1.00 0.72 C ATOM 993 C PHE A 68 -0.455 -9.768 -5.109 1.00 0.79 C ATOM 994 O PHE A 68 0.136 -8.727 -5.404 1.00 0.87 O ATOM 995 CB PHE A 68 -2.966 -9.937 -4.868 1.00 0.88 C ATOM 996 CG PHE A 68 -3.299 -8.509 -4.530 1.00 0.91 C ATOM 997 CD1 PHE A 68 -2.695 -7.883 -3.451 1.00 1.54 C ATOM 998 CD2 PHE A 68 -4.229 -7.804 -5.275 1.00 1.84 C ATOM 999 CE1 PHE A 68 -3.014 -6.581 -3.122 1.00 2.15 C ATOM 1000 CE2 PHE A 68 -4.549 -6.500 -4.954 1.00 2.44 C ATOM 1001 CZ PHE A 68 -3.941 -5.888 -3.874 1.00 2.37 C ATOM 0 H PHE A 68 -2.731 -11.956 -6.233 1.00 0.63 H new ATOM 0 HA PHE A 68 -1.826 -9.467 -6.676 1.00 0.72 H new ATOM 0 HB2 PHE A 68 -3.844 -10.399 -5.319 1.00 0.88 H new ATOM 0 HB3 PHE A 68 -2.764 -10.473 -3.941 1.00 0.88 H new ATOM 0 HD1 PHE A 68 -1.967 -8.420 -2.861 1.00 1.54 H new ATOM 0 HD2 PHE A 68 -4.710 -8.280 -6.117 1.00 1.84 H new ATOM 0 HE1 PHE A 68 -2.539 -6.105 -2.277 1.00 2.15 H new ATOM 0 HE2 PHE A 68 -5.273 -5.959 -5.545 1.00 2.44 H new ATOM 0 HZ PHE A 68 -4.191 -4.869 -3.619 1.00 2.37 H new ATOM 1011 N LEU A 69 -0.011 -10.621 -4.192 1.00 0.81 N ATOM 1012 CA LEU A 69 1.216 -10.370 -3.428 1.00 0.89 C ATOM 1013 C LEU A 69 2.487 -10.863 -4.094 1.00 0.84 C ATOM 1014 O LEU A 69 3.573 -10.492 -3.661 1.00 0.89 O ATOM 1015 CB LEU A 69 1.160 -10.979 -2.045 1.00 0.99 C ATOM 1016 CG LEU A 69 0.299 -12.233 -1.927 1.00 0.97 C ATOM 1017 CD1 LEU A 69 0.835 -13.362 -2.800 1.00 0.92 C ATOM 1018 CD2 LEU A 69 0.230 -12.682 -0.488 1.00 1.14 C ATOM 0 H LEU A 69 -0.480 -11.495 -3.956 1.00 0.81 H new ATOM 0 HA LEU A 69 1.259 -9.282 -3.373 1.00 0.89 H new ATOM 0 HB2 LEU A 69 2.175 -11.222 -1.730 1.00 0.99 H new ATOM 0 HB3 LEU A 69 0.782 -10.230 -1.350 1.00 0.99 H new ATOM 0 HG LEU A 69 -0.703 -11.984 -2.277 1.00 0.97 H new ATOM 0 HD11 LEU A 69 0.198 -14.240 -2.692 1.00 0.92 H new ATOM 0 HD12 LEU A 69 0.841 -13.044 -3.843 1.00 0.92 H new ATOM 0 HD13 LEU A 69 1.850 -13.610 -2.491 1.00 0.92 H new ATOM 0 HD21 LEU A 69 -0.387 -13.578 -0.415 1.00 1.14 H new ATOM 0 HD22 LEU A 69 1.235 -12.903 -0.127 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -0.207 -11.890 0.120 1.00 1.14 H new ATOM 1030 N THR A 70 2.360 -11.734 -5.103 1.00 0.78 N ATOM 1031 CA THR A 70 3.528 -12.306 -5.811 1.00 0.78 C ATOM 1032 C THR A 70 4.569 -11.242 -6.162 1.00 0.80 C ATOM 1033 O THR A 70 5.731 -11.570 -6.396 1.00 0.79 O ATOM 1034 CB THR A 70 3.090 -13.075 -7.088 1.00 0.80 C ATOM 1035 OG1 THR A 70 1.999 -13.947 -6.778 1.00 0.79 O ATOM 1036 CG2 THR A 70 4.230 -13.902 -7.680 1.00 0.88 C ATOM 0 H THR A 70 1.460 -12.063 -5.453 1.00 0.78 H new ATOM 0 HA THR A 70 3.996 -13.010 -5.123 1.00 0.78 H new ATOM 0 HB THR A 70 2.789 -12.332 -7.826 1.00 0.80 H new ATOM 0 HG1 THR A 70 1.944 -14.070 -5.807 1.00 0.79 H new ATOM 0 HG21 THR A 70 3.878 -14.422 -8.571 1.00 0.88 H new ATOM 0 HG22 THR A 70 5.056 -13.244 -7.947 1.00 0.88 H new ATOM 0 HG23 THR A 70 4.570 -14.631 -6.945 1.00 0.88 H new ATOM 1044 N MET A 71 4.132 -9.986 -6.202 1.00 0.87 N ATOM 1045 CA MET A 71 5.023 -8.877 -6.464 1.00 0.96 C ATOM 1046 C MET A 71 5.670 -8.344 -5.186 1.00 0.97 C ATOM 1047 O MET A 71 6.805 -7.867 -5.242 1.00 1.00 O ATOM 1048 CB MET A 71 4.321 -7.777 -7.257 1.00 1.10 C ATOM 1049 CG MET A 71 4.097 -8.157 -8.712 1.00 1.15 C ATOM 1050 SD MET A 71 3.344 -6.844 -9.687 1.00 1.66 S ATOM 1051 CE MET A 71 3.484 -7.550 -11.328 1.00 1.68 C ATOM 0 H MET A 71 3.159 -9.718 -6.054 1.00 0.87 H new ATOM 0 HA MET A 71 5.836 -9.254 -7.085 1.00 0.96 H new ATOM 0 HB2 MET A 71 3.361 -7.555 -6.791 1.00 1.10 H new ATOM 0 HB3 MET A 71 4.916 -6.865 -7.211 1.00 1.10 H new ATOM 0 HG2 MET A 71 5.053 -8.429 -9.160 1.00 1.15 H new ATOM 0 HG3 MET A 71 3.461 -9.041 -8.755 1.00 1.15 H new ATOM 0 HE1 MET A 71 2.738 -7.100 -11.983 1.00 1.68 H new ATOM 0 HE2 MET A 71 4.480 -7.354 -11.724 1.00 1.68 H new ATOM 0 HE3 MET A 71 3.319 -8.626 -11.276 1.00 1.68 H new ATOM 1061 N MET A 72 4.966 -8.412 -4.035 1.00 0.99 N ATOM 1062 CA MET A 72 5.573 -7.987 -2.765 1.00 1.06 C ATOM 1063 C MET A 72 6.318 -9.181 -2.189 1.00 0.94 C ATOM 1064 O MET A 72 7.248 -9.036 -1.390 1.00 0.95 O ATOM 1065 CB MET A 72 4.556 -7.405 -1.761 1.00 1.23 C ATOM 1066 CG MET A 72 3.229 -8.159 -1.662 1.00 1.37 C ATOM 1067 SD MET A 72 2.401 -7.916 -0.077 1.00 2.19 S ATOM 1068 CE MET A 72 3.291 -9.070 0.968 1.00 3.08 C ATOM 0 H MET A 72 4.005 -8.747 -3.963 1.00 0.99 H new ATOM 0 HA MET A 72 6.260 -7.164 -2.961 1.00 1.06 H new ATOM 0 HB2 MET A 72 5.017 -7.384 -0.774 1.00 1.23 H new ATOM 0 HB3 MET A 72 4.348 -6.372 -2.038 1.00 1.23 H new ATOM 0 HG2 MET A 72 2.569 -7.831 -2.465 1.00 1.37 H new ATOM 0 HG3 MET A 72 3.409 -9.223 -1.813 1.00 1.37 H new ATOM 0 HE1 MET A 72 3.027 -8.894 2.011 1.00 3.08 H new ATOM 0 HE2 MET A 72 3.024 -10.090 0.693 1.00 3.08 H new ATOM 0 HE3 MET A 72 4.364 -8.928 0.836 1.00 3.08 H new ATOM 1078 N ALA A 73 5.870 -10.367 -2.626 1.00 0.86 N ATOM 1079 CA ALA A 73 6.509 -11.623 -2.295 1.00 0.79 C ATOM 1080 C ALA A 73 7.728 -11.772 -3.201 1.00 0.71 C ATOM 1081 O ALA A 73 8.616 -12.587 -2.940 1.00 0.68 O ATOM 1082 CB ALA A 73 5.550 -12.792 -2.470 1.00 0.80 C ATOM 0 H ALA A 73 5.048 -10.469 -3.222 1.00 0.86 H new ATOM 0 HA ALA A 73 6.814 -11.625 -1.248 1.00 0.79 H new ATOM 0 HB1 ALA A 73 6.059 -13.721 -2.214 1.00 0.80 H new ATOM 0 HB2 ALA A 73 4.689 -12.657 -1.815 1.00 0.80 H new ATOM 0 HB3 ALA A 73 5.215 -12.836 -3.506 1.00 0.80 H new ATOM 1088 N ARG A 74 7.738 -10.967 -4.298 1.00 0.72 N ATOM 1089 CA ARG A 74 8.820 -10.911 -5.223 1.00 0.71 C ATOM 1090 C ARG A 74 9.942 -10.099 -4.624 1.00 0.73 C ATOM 1091 O ARG A 74 11.109 -10.453 -4.753 1.00 0.68 O ATOM 1092 CB ARG A 74 8.293 -10.229 -6.484 1.00 0.83 C ATOM 1093 CG ARG A 74 9.352 -9.806 -7.471 1.00 0.91 C ATOM 1094 CD ARG A 74 9.570 -10.823 -8.590 1.00 1.12 C ATOM 1095 NE ARG A 74 10.788 -11.614 -8.393 1.00 1.47 N ATOM 1096 CZ ARG A 74 11.151 -12.657 -9.155 1.00 1.90 C ATOM 1097 NH1 ARG A 74 10.398 -13.059 -10.177 1.00 2.18 N ATOM 1098 NH2 ARG A 74 12.283 -13.297 -8.894 1.00 2.55 N ATOM 0 H ARG A 74 6.967 -10.344 -4.536 1.00 0.72 H new ATOM 0 HA ARG A 74 9.200 -11.906 -5.455 1.00 0.71 H new ATOM 0 HB2 ARG A 74 7.602 -10.908 -6.984 1.00 0.83 H new ATOM 0 HB3 ARG A 74 7.719 -9.350 -6.191 1.00 0.83 H new ATOM 0 HG2 ARG A 74 9.070 -8.848 -7.909 1.00 0.91 H new ATOM 0 HG3 ARG A 74 10.292 -9.650 -6.942 1.00 0.91 H new ATOM 0 HD2 ARG A 74 8.710 -11.491 -8.643 1.00 1.12 H new ATOM 0 HD3 ARG A 74 9.629 -10.302 -9.545 1.00 1.12 H new ATOM 0 HE ARG A 74 11.403 -11.353 -7.622 1.00 1.47 H new ATOM 0 HH11 ARG A 74 9.528 -12.572 -10.392 1.00 2.18 H new ATOM 0 HH12 ARG A 74 10.691 -13.854 -10.745 1.00 2.18 H new ATOM 0 HH21 ARG A 74 12.872 -12.996 -8.118 1.00 2.55 H new ATOM 0 HH22 ARG A 74 12.565 -14.091 -9.470 1.00 2.55 H new ATOM 1112 N LYS A 75 9.567 -8.978 -3.999 1.00 0.86 N ATOM 1113 CA LYS A 75 10.517 -8.121 -3.333 1.00 0.95 C ATOM 1114 C LYS A 75 11.223 -8.895 -2.217 1.00 0.90 C ATOM 1115 O LYS A 75 12.246 -8.465 -1.679 1.00 0.96 O ATOM 1116 CB LYS A 75 9.809 -6.871 -2.844 1.00 1.19 C ATOM 1117 CG LYS A 75 8.955 -6.240 -3.951 1.00 1.28 C ATOM 1118 CD LYS A 75 9.750 -5.817 -5.196 1.00 1.40 C ATOM 1119 CE LYS A 75 10.974 -4.952 -4.883 1.00 2.25 C ATOM 1120 NZ LYS A 75 11.519 -4.294 -6.102 1.00 2.99 N ATOM 0 H LYS A 75 8.602 -8.653 -3.948 1.00 0.86 H new ATOM 0 HA LYS A 75 11.295 -7.797 -4.024 1.00 0.95 H new ATOM 0 HB2 LYS A 75 9.176 -7.120 -1.992 1.00 1.19 H new ATOM 0 HB3 LYS A 75 10.545 -6.148 -2.494 1.00 1.19 H new ATOM 0 HG2 LYS A 75 8.185 -6.951 -4.250 1.00 1.28 H new ATOM 0 HG3 LYS A 75 8.443 -5.367 -3.546 1.00 1.28 H new ATOM 0 HD2 LYS A 75 10.075 -6.711 -5.729 1.00 1.40 H new ATOM 0 HD3 LYS A 75 9.090 -5.267 -5.867 1.00 1.40 H new ATOM 0 HE2 LYS A 75 10.703 -4.191 -4.151 1.00 2.25 H new ATOM 0 HE3 LYS A 75 11.748 -5.570 -4.428 1.00 2.25 H new ATOM 0 HZ1 LYS A 75 12.532 -4.099 -5.968 1.00 2.99 H new ATOM 0 HZ2 LYS A 75 11.392 -4.922 -6.921 1.00 2.99 H new ATOM 0 HZ3 LYS A 75 11.014 -3.400 -6.269 1.00 2.99 H new ATOM 1134 N MET A 76 10.617 -10.051 -1.878 1.00 0.85 N ATOM 1135 CA MET A 76 11.158 -10.991 -0.918 1.00 0.93 C ATOM 1136 C MET A 76 12.247 -11.808 -1.610 1.00 0.83 C ATOM 1137 O MET A 76 13.292 -12.090 -1.017 1.00 0.93 O ATOM 1138 CB MET A 76 10.081 -11.939 -0.385 1.00 1.07 C ATOM 1139 CG MET A 76 8.960 -11.235 0.343 1.00 0.96 C ATOM 1140 SD MET A 76 9.449 -10.634 1.971 1.00 1.64 S ATOM 1141 CE MET A 76 7.923 -9.874 2.523 1.00 2.37 C ATOM 0 H MET A 76 9.727 -10.347 -2.278 1.00 0.85 H new ATOM 0 HA MET A 76 11.559 -10.434 -0.072 1.00 0.93 H new ATOM 0 HB2 MET A 76 9.663 -12.505 -1.218 1.00 1.07 H new ATOM 0 HB3 MET A 76 10.545 -12.659 0.289 1.00 1.07 H new ATOM 0 HG2 MET A 76 8.613 -10.395 -0.259 1.00 0.96 H new ATOM 0 HG3 MET A 76 8.118 -11.919 0.452 1.00 0.96 H new ATOM 0 HE1 MET A 76 8.065 -9.455 3.519 1.00 2.37 H new ATOM 0 HE2 MET A 76 7.641 -9.080 1.832 1.00 2.37 H new ATOM 0 HE3 MET A 76 7.133 -10.625 2.555 1.00 2.37 H new ATOM 1151 N LYS A 77 11.981 -12.186 -2.887 1.00 0.72 N ATOM 1152 CA LYS A 77 12.945 -12.943 -3.678 1.00 0.79 C ATOM 1153 C LYS A 77 13.946 -12.016 -4.408 1.00 0.78 C ATOM 1154 O LYS A 77 14.952 -12.480 -4.950 1.00 0.91 O ATOM 1155 CB LYS A 77 12.217 -13.907 -4.631 1.00 0.86 C ATOM 1156 CG LYS A 77 11.436 -13.276 -5.776 1.00 0.76 C ATOM 1157 CD LYS A 77 10.015 -13.841 -5.839 1.00 0.89 C ATOM 1158 CE LYS A 77 9.973 -15.304 -6.288 1.00 0.96 C ATOM 1159 NZ LYS A 77 8.581 -15.829 -6.345 1.00 1.75 N ATOM 0 H LYS A 77 11.110 -11.974 -3.374 1.00 0.72 H new ATOM 0 HA LYS A 77 13.546 -13.550 -3.001 1.00 0.79 H new ATOM 0 HB2 LYS A 77 12.955 -14.587 -5.056 1.00 0.86 H new ATOM 0 HB3 LYS A 77 11.528 -14.512 -4.042 1.00 0.86 H new ATOM 0 HG2 LYS A 77 11.397 -12.195 -5.644 1.00 0.76 H new ATOM 0 HG3 LYS A 77 11.949 -13.463 -6.719 1.00 0.76 H new ATOM 0 HD2 LYS A 77 9.552 -13.755 -4.856 1.00 0.89 H new ATOM 0 HD3 LYS A 77 9.420 -13.239 -6.526 1.00 0.89 H new ATOM 0 HE2 LYS A 77 10.436 -15.395 -7.271 1.00 0.96 H new ATOM 0 HE3 LYS A 77 10.562 -15.911 -5.601 1.00 0.96 H new ATOM 0 HZ1 LYS A 77 8.597 -16.822 -6.653 1.00 1.75 H new ATOM 0 HZ2 LYS A 77 8.147 -15.766 -5.402 1.00 1.75 H new ATOM 0 HZ3 LYS A 77 8.025 -15.266 -7.020 1.00 1.75 H new ATOM 1173 N ASP A 78 13.640 -10.709 -4.404 1.00 0.74 N ATOM 1174 CA ASP A 78 14.486 -9.676 -5.021 1.00 0.79 C ATOM 1175 C ASP A 78 14.688 -8.503 -4.051 1.00 0.77 C ATOM 1176 O ASP A 78 13.724 -7.829 -3.676 1.00 0.80 O ATOM 1177 CB ASP A 78 13.848 -9.172 -6.320 1.00 0.84 C ATOM 1178 CG ASP A 78 13.900 -10.202 -7.434 1.00 1.19 C ATOM 1179 OD1 ASP A 78 14.563 -9.936 -8.458 1.00 1.66 O ATOM 1180 OD2 ASP A 78 13.283 -11.277 -7.278 1.00 1.92 O ATOM 0 H ASP A 78 12.795 -10.338 -3.971 1.00 0.74 H new ATOM 0 HA ASP A 78 15.456 -10.117 -5.251 1.00 0.79 H new ATOM 0 HB2 ASP A 78 12.810 -8.901 -6.129 1.00 0.84 H new ATOM 0 HB3 ASP A 78 14.360 -8.266 -6.644 1.00 0.84 H new ATOM 1185 N THR A 79 15.949 -8.263 -3.652 1.00 0.79 N ATOM 1186 CA THR A 79 16.283 -7.191 -2.709 1.00 0.82 C ATOM 1187 C THR A 79 16.514 -5.846 -3.391 1.00 0.73 C ATOM 1188 O THR A 79 17.232 -4.975 -2.882 1.00 0.78 O ATOM 1189 CB THR A 79 17.490 -7.545 -1.812 1.00 0.99 C ATOM 1190 OG1 THR A 79 18.608 -7.933 -2.619 1.00 1.03 O ATOM 1191 CG2 THR A 79 17.147 -8.664 -0.835 1.00 1.15 C ATOM 0 H THR A 79 16.754 -8.802 -3.972 1.00 0.79 H new ATOM 0 HA THR A 79 15.403 -7.093 -2.073 1.00 0.82 H new ATOM 0 HB THR A 79 17.749 -6.657 -1.236 1.00 0.99 H new ATOM 0 HG1 THR A 79 19.368 -8.154 -2.041 1.00 1.03 H new ATOM 0 HG21 THR A 79 18.018 -8.889 -0.219 1.00 1.15 H new ATOM 0 HG22 THR A 79 16.322 -8.349 -0.196 1.00 1.15 H new ATOM 0 HG23 THR A 79 16.856 -9.555 -1.391 1.00 1.15 H new ATOM 1199 N ASP A 80 15.871 -5.690 -4.536 1.00 0.66 N ATOM 1200 CA ASP A 80 15.919 -4.456 -5.319 1.00 0.67 C ATOM 1201 C ASP A 80 14.906 -3.436 -4.765 1.00 0.66 C ATOM 1202 O ASP A 80 14.664 -2.380 -5.360 1.00 0.74 O ATOM 1203 CB ASP A 80 15.631 -4.751 -6.798 1.00 0.77 C ATOM 1204 CG ASP A 80 16.759 -5.508 -7.474 1.00 1.18 C ATOM 1205 OD1 ASP A 80 17.674 -4.852 -8.015 1.00 1.72 O ATOM 1206 OD2 ASP A 80 16.727 -6.757 -7.461 1.00 1.86 O ATOM 0 H ASP A 80 15.295 -6.419 -4.956 1.00 0.66 H new ATOM 0 HA ASP A 80 16.919 -4.030 -5.241 1.00 0.67 H new ATOM 0 HB2 ASP A 80 14.711 -5.331 -6.876 1.00 0.77 H new ATOM 0 HB3 ASP A 80 15.462 -3.812 -7.325 1.00 0.77 H new ATOM 1211 N SER A 81 14.340 -3.780 -3.596 1.00 0.67 N ATOM 1212 CA SER A 81 13.323 -2.976 -2.911 1.00 0.75 C ATOM 1213 C SER A 81 13.871 -1.706 -2.237 1.00 0.68 C ATOM 1214 O SER A 81 13.149 -0.715 -2.136 1.00 0.76 O ATOM 1215 CB SER A 81 12.639 -3.850 -1.862 1.00 0.92 C ATOM 1216 OG SER A 81 11.572 -3.166 -1.226 1.00 1.07 O ATOM 0 H SER A 81 14.581 -4.636 -3.097 1.00 0.67 H new ATOM 0 HA SER A 81 12.625 -2.633 -3.674 1.00 0.75 H new ATOM 0 HB2 SER A 81 12.260 -4.757 -2.334 1.00 0.92 H new ATOM 0 HB3 SER A 81 13.369 -4.161 -1.115 1.00 0.92 H new ATOM 0 HG SER A 81 11.212 -3.722 -0.504 1.00 1.07 H new ATOM 1222 N GLU A 82 15.135 -1.732 -1.780 1.00 0.62 N ATOM 1223 CA GLU A 82 15.742 -0.573 -1.087 1.00 0.63 C ATOM 1224 C GLU A 82 15.851 0.675 -1.984 1.00 0.57 C ATOM 1225 O GLU A 82 15.988 1.792 -1.475 1.00 0.58 O ATOM 1226 CB GLU A 82 17.125 -0.940 -0.534 1.00 0.72 C ATOM 1227 CG GLU A 82 17.563 -0.073 0.645 1.00 0.78 C ATOM 1228 CD GLU A 82 18.961 -0.406 1.127 1.00 1.34 C ATOM 1229 OE1 GLU A 82 19.925 0.208 0.622 1.00 1.65 O ATOM 1230 OE2 GLU A 82 19.093 -1.280 2.009 1.00 2.12 O ATOM 0 H GLU A 82 15.756 -2.536 -1.875 1.00 0.62 H new ATOM 0 HA GLU A 82 15.072 -0.320 -0.265 1.00 0.63 H new ATOM 0 HB2 GLU A 82 17.117 -1.985 -0.223 1.00 0.72 H new ATOM 0 HB3 GLU A 82 17.861 -0.851 -1.333 1.00 0.72 H new ATOM 0 HG2 GLU A 82 17.524 0.977 0.353 1.00 0.78 H new ATOM 0 HG3 GLU A 82 16.859 -0.202 1.467 1.00 0.78 H new ATOM 1237 N GLU A 83 15.790 0.477 -3.304 1.00 0.55 N ATOM 1238 CA GLU A 83 15.875 1.581 -4.266 1.00 0.58 C ATOM 1239 C GLU A 83 14.493 2.186 -4.542 1.00 0.59 C ATOM 1240 O GLU A 83 14.357 3.406 -4.670 1.00 0.65 O ATOM 1241 CB GLU A 83 16.509 1.096 -5.575 1.00 0.64 C ATOM 1242 CG GLU A 83 18.005 0.838 -5.475 1.00 0.71 C ATOM 1243 CD GLU A 83 18.602 0.357 -6.783 1.00 0.94 C ATOM 1244 OE1 GLU A 83 18.625 -0.871 -7.010 1.00 1.76 O ATOM 1245 OE2 GLU A 83 19.046 1.209 -7.582 1.00 1.27 O ATOM 0 H GLU A 83 15.682 -0.442 -3.733 1.00 0.55 H new ATOM 0 HA GLU A 83 16.503 2.358 -3.831 1.00 0.58 H new ATOM 0 HB2 GLU A 83 16.012 0.179 -5.890 1.00 0.64 H new ATOM 0 HB3 GLU A 83 16.329 1.839 -6.352 1.00 0.64 H new ATOM 0 HG2 GLU A 83 18.508 1.754 -5.165 1.00 0.71 H new ATOM 0 HG3 GLU A 83 18.191 0.095 -4.700 1.00 0.71 H new ATOM 1252 N GLU A 84 13.481 1.314 -4.630 1.00 0.60 N ATOM 1253 CA GLU A 84 12.091 1.725 -4.896 1.00 0.68 C ATOM 1254 C GLU A 84 11.328 2.081 -3.610 1.00 0.63 C ATOM 1255 O GLU A 84 10.313 2.765 -3.669 1.00 0.69 O ATOM 1256 CB GLU A 84 11.304 0.620 -5.647 1.00 0.80 C ATOM 1257 CG GLU A 84 12.123 -0.590 -6.109 1.00 1.14 C ATOM 1258 CD GLU A 84 12.949 -0.307 -7.351 1.00 1.74 C ATOM 1259 OE1 GLU A 84 14.120 0.100 -7.206 1.00 2.23 O ATOM 1260 OE2 GLU A 84 12.423 -0.493 -8.469 1.00 2.31 O ATOM 0 H GLU A 84 13.599 0.307 -4.520 1.00 0.60 H new ATOM 0 HA GLU A 84 12.162 2.616 -5.520 1.00 0.68 H new ATOM 0 HB2 GLU A 84 10.504 0.266 -4.997 1.00 0.80 H new ATOM 0 HB3 GLU A 84 10.830 1.068 -6.520 1.00 0.80 H new ATOM 0 HG2 GLU A 84 12.786 -0.903 -5.302 1.00 1.14 H new ATOM 0 HG3 GLU A 84 11.449 -1.423 -6.309 1.00 1.14 H new ATOM 1267 N ILE A 85 11.835 1.616 -2.457 1.00 0.57 N ATOM 1268 CA ILE A 85 11.199 1.819 -1.135 1.00 0.54 C ATOM 1269 C ILE A 85 10.910 3.298 -0.782 1.00 0.50 C ATOM 1270 O ILE A 85 9.967 3.579 -0.035 1.00 0.50 O ATOM 1271 CB ILE A 85 12.055 1.113 -0.032 1.00 0.54 C ATOM 1272 CG1 ILE A 85 11.203 0.718 1.181 1.00 0.52 C ATOM 1273 CG2 ILE A 85 13.257 1.950 0.409 1.00 0.57 C ATOM 1274 CD1 ILE A 85 11.293 -0.758 1.515 1.00 0.57 C ATOM 0 H ILE A 85 12.704 1.084 -2.410 1.00 0.57 H new ATOM 0 HA ILE A 85 10.212 1.360 -1.186 1.00 0.54 H new ATOM 0 HB ILE A 85 12.444 0.204 -0.491 1.00 0.54 H new ATOM 0 HG12 ILE A 85 11.521 1.300 2.046 1.00 0.52 H new ATOM 0 HG13 ILE A 85 10.162 0.978 0.987 1.00 0.52 H new ATOM 0 HG21 ILE A 85 13.814 1.411 1.175 1.00 0.57 H new ATOM 0 HG22 ILE A 85 13.905 2.136 -0.448 1.00 0.57 H new ATOM 0 HG23 ILE A 85 12.910 2.900 0.814 1.00 0.57 H new ATOM 0 HD11 ILE A 85 10.668 -0.974 2.382 1.00 0.57 H new ATOM 0 HD12 ILE A 85 10.948 -1.345 0.664 1.00 0.57 H new ATOM 0 HD13 ILE A 85 12.327 -1.018 1.740 1.00 0.57 H new ATOM 1286 N ARG A 86 11.713 4.219 -1.316 1.00 0.50 N ATOM 1287 CA ARG A 86 11.527 5.658 -1.060 1.00 0.50 C ATOM 1288 C ARG A 86 10.516 6.275 -2.040 1.00 0.52 C ATOM 1289 O ARG A 86 9.849 7.260 -1.711 1.00 0.53 O ATOM 1290 CB ARG A 86 12.869 6.407 -1.095 1.00 0.54 C ATOM 1291 CG ARG A 86 13.855 5.874 -2.114 1.00 1.10 C ATOM 1292 CD ARG A 86 14.995 6.848 -2.344 1.00 1.26 C ATOM 1293 NE ARG A 86 15.964 6.343 -3.323 1.00 1.79 N ATOM 1294 CZ ARG A 86 17.054 7.008 -3.732 1.00 2.08 C ATOM 1295 NH1 ARG A 86 17.340 8.220 -3.259 1.00 1.78 N ATOM 1296 NH2 ARG A 86 17.863 6.453 -4.623 1.00 2.95 N ATOM 0 H ARG A 86 12.499 4.000 -1.928 1.00 0.50 H new ATOM 0 HA ARG A 86 11.116 5.764 -0.056 1.00 0.50 H new ATOM 0 HB2 ARG A 86 12.679 7.459 -1.307 1.00 0.54 H new ATOM 0 HB3 ARG A 86 13.325 6.358 -0.106 1.00 0.54 H new ATOM 0 HG2 ARG A 86 14.254 4.919 -1.772 1.00 1.10 H new ATOM 0 HG3 ARG A 86 13.340 5.685 -3.056 1.00 1.10 H new ATOM 0 HD2 ARG A 86 14.593 7.800 -2.690 1.00 1.26 H new ATOM 0 HD3 ARG A 86 15.502 7.041 -1.399 1.00 1.26 H new ATOM 0 HE ARG A 86 15.796 5.419 -3.721 1.00 1.79 H new ATOM 0 HH11 ARG A 86 16.725 8.658 -2.573 1.00 1.78 H new ATOM 0 HH12 ARG A 86 18.174 8.710 -3.583 1.00 1.78 H new ATOM 0 HH21 ARG A 86 17.655 5.526 -4.993 1.00 2.95 H new ATOM 0 HH22 ARG A 86 18.694 6.953 -4.939 1.00 2.95 H new ATOM 1310 N GLU A 87 10.417 5.683 -3.241 1.00 0.57 N ATOM 1311 CA GLU A 87 9.460 6.117 -4.271 1.00 0.63 C ATOM 1312 C GLU A 87 8.135 5.406 -4.040 1.00 0.62 C ATOM 1313 O GLU A 87 7.064 5.923 -4.371 1.00 0.65 O ATOM 1314 CB GLU A 87 9.993 5.819 -5.673 1.00 0.73 C ATOM 1315 CG GLU A 87 11.253 6.597 -6.027 1.00 0.77 C ATOM 1316 CD GLU A 87 11.802 6.231 -7.392 1.00 1.39 C ATOM 1317 OE1 GLU A 87 11.400 6.872 -8.386 1.00 2.08 O ATOM 1318 OE2 GLU A 87 12.635 5.303 -7.468 1.00 2.02 O ATOM 0 H GLU A 87 10.996 4.893 -3.525 1.00 0.57 H new ATOM 0 HA GLU A 87 9.316 7.195 -4.198 1.00 0.63 H new ATOM 0 HB2 GLU A 87 10.201 4.752 -5.754 1.00 0.73 H new ATOM 0 HB3 GLU A 87 9.217 6.049 -6.403 1.00 0.73 H new ATOM 0 HG2 GLU A 87 11.035 7.665 -6.002 1.00 0.77 H new ATOM 0 HG3 GLU A 87 12.015 6.409 -5.271 1.00 0.77 H new ATOM 1325 N ALA A 88 8.243 4.199 -3.462 1.00 0.60 N ATOM 1326 CA ALA A 88 7.095 3.390 -3.062 1.00 0.62 C ATOM 1327 C ALA A 88 6.428 4.072 -1.873 1.00 0.55 C ATOM 1328 O ALA A 88 5.281 3.790 -1.526 1.00 0.56 O ATOM 1329 CB ALA A 88 7.528 1.973 -2.748 1.00 0.70 C ATOM 0 H ALA A 88 9.141 3.759 -3.260 1.00 0.60 H new ATOM 0 HA ALA A 88 6.372 3.315 -3.875 1.00 0.62 H new ATOM 0 HB1 ALA A 88 6.660 1.384 -2.452 1.00 0.70 H new ATOM 0 HB2 ALA A 88 7.984 1.527 -3.632 1.00 0.70 H new ATOM 0 HB3 ALA A 88 8.253 1.986 -1.934 1.00 0.70 H new ATOM 1335 N PHE A 89 7.213 4.973 -1.251 1.00 0.51 N ATOM 1336 CA PHE A 89 6.759 5.813 -0.149 1.00 0.49 C ATOM 1337 C PHE A 89 5.914 6.941 -0.708 1.00 0.47 C ATOM 1338 O PHE A 89 4.915 7.354 -0.113 1.00 0.47 O ATOM 1339 CB PHE A 89 7.914 6.488 0.569 1.00 0.51 C ATOM 1340 CG PHE A 89 7.800 6.424 2.067 1.00 0.53 C ATOM 1341 CD1 PHE A 89 7.113 7.406 2.761 1.00 1.27 C ATOM 1342 CD2 PHE A 89 8.372 5.383 2.779 1.00 1.19 C ATOM 1343 CE1 PHE A 89 7.000 7.354 4.134 1.00 1.29 C ATOM 1344 CE2 PHE A 89 8.260 5.328 4.155 1.00 1.22 C ATOM 1345 CZ PHE A 89 7.574 6.315 4.831 1.00 0.65 C ATOM 0 H PHE A 89 8.187 5.132 -1.509 1.00 0.51 H new ATOM 0 HA PHE A 89 6.215 5.166 0.539 1.00 0.49 H new ATOM 0 HB2 PHE A 89 8.848 6.018 0.262 1.00 0.51 H new ATOM 0 HB3 PHE A 89 7.965 7.532 0.259 1.00 0.51 H new ATOM 0 HD1 PHE A 89 6.660 8.223 2.220 1.00 1.27 H new ATOM 0 HD2 PHE A 89 8.910 4.608 2.254 1.00 1.19 H new ATOM 0 HE1 PHE A 89 6.462 8.127 4.662 1.00 1.29 H new ATOM 0 HE2 PHE A 89 8.710 4.512 4.701 1.00 1.22 H new ATOM 0 HZ PHE A 89 7.487 6.273 5.907 1.00 0.65 H new ATOM 1355 N ARG A 90 6.359 7.447 -1.874 1.00 0.50 N ATOM 1356 CA ARG A 90 5.691 8.542 -2.560 1.00 0.54 C ATOM 1357 C ARG A 90 4.312 8.129 -3.077 1.00 0.54 C ATOM 1358 O ARG A 90 3.478 8.973 -3.418 1.00 0.60 O ATOM 1359 CB ARG A 90 6.556 9.022 -3.726 1.00 0.62 C ATOM 1360 CG ARG A 90 7.725 9.900 -3.319 1.00 1.26 C ATOM 1361 CD ARG A 90 8.643 10.158 -4.500 1.00 1.50 C ATOM 1362 NE ARG A 90 9.942 10.700 -4.085 1.00 2.03 N ATOM 1363 CZ ARG A 90 11.038 10.729 -4.857 1.00 2.50 C ATOM 1364 NH1 ARG A 90 11.019 10.249 -6.100 1.00 2.61 N ATOM 1365 NH2 ARG A 90 12.163 11.243 -4.379 1.00 3.17 N ATOM 0 H ARG A 90 7.189 7.102 -2.356 1.00 0.50 H new ATOM 0 HA ARG A 90 5.550 9.351 -1.843 1.00 0.54 H new ATOM 0 HB2 ARG A 90 6.939 8.153 -4.260 1.00 0.62 H new ATOM 0 HB3 ARG A 90 5.928 9.575 -4.425 1.00 0.62 H new ATOM 0 HG2 ARG A 90 7.355 10.847 -2.927 1.00 1.26 H new ATOM 0 HG3 ARG A 90 8.284 9.419 -2.516 1.00 1.26 H new ATOM 0 HD2 ARG A 90 8.797 9.228 -5.048 1.00 1.50 H new ATOM 0 HD3 ARG A 90 8.162 10.856 -5.186 1.00 1.50 H new ATOM 0 HE ARG A 90 10.017 11.082 -3.142 1.00 2.03 H new ATOM 0 HH11 ARG A 90 10.160 9.851 -6.480 1.00 2.61 H new ATOM 0 HH12 ARG A 90 11.863 10.280 -6.672 1.00 2.61 H new ATOM 0 HH21 ARG A 90 12.191 11.613 -3.429 1.00 3.17 H new ATOM 0 HH22 ARG A 90 13.000 11.268 -4.961 1.00 3.17 H new ATOM 1379 N VAL A 91 4.111 6.810 -3.126 1.00 0.51 N ATOM 1380 CA VAL A 91 2.878 6.173 -3.577 1.00 0.53 C ATOM 1381 C VAL A 91 1.616 6.744 -2.883 1.00 0.54 C ATOM 1382 O VAL A 91 0.617 7.031 -3.549 1.00 0.60 O ATOM 1383 CB VAL A 91 3.020 4.633 -3.379 1.00 0.51 C ATOM 1384 CG1 VAL A 91 2.362 4.120 -2.097 1.00 0.47 C ATOM 1385 CG2 VAL A 91 2.509 3.895 -4.596 1.00 0.59 C ATOM 0 H VAL A 91 4.825 6.138 -2.844 1.00 0.51 H new ATOM 0 HA VAL A 91 2.733 6.392 -4.635 1.00 0.53 H new ATOM 0 HB VAL A 91 4.085 4.429 -3.263 1.00 0.51 H new ATOM 0 HG11 VAL A 91 2.500 3.041 -2.024 1.00 0.47 H new ATOM 0 HG12 VAL A 91 2.820 4.603 -1.234 1.00 0.47 H new ATOM 0 HG13 VAL A 91 1.297 4.349 -2.118 1.00 0.47 H new ATOM 0 HG21 VAL A 91 2.615 2.821 -4.442 1.00 0.59 H new ATOM 0 HG22 VAL A 91 1.458 4.137 -4.753 1.00 0.59 H new ATOM 0 HG23 VAL A 91 3.085 4.194 -5.472 1.00 0.59 H new ATOM 1395 N PHE A 92 1.686 6.899 -1.553 1.00 0.49 N ATOM 1396 CA PHE A 92 0.587 7.440 -0.772 1.00 0.54 C ATOM 1397 C PHE A 92 0.925 8.830 -0.281 1.00 0.60 C ATOM 1398 O PHE A 92 0.033 9.652 -0.054 1.00 0.69 O ATOM 1399 CB PHE A 92 0.232 6.527 0.403 1.00 0.53 C ATOM 1400 CG PHE A 92 -1.041 5.737 0.201 1.00 1.18 C ATOM 1401 CD1 PHE A 92 -2.131 5.951 1.026 1.00 1.94 C ATOM 1402 CD2 PHE A 92 -1.151 4.784 -0.806 1.00 1.92 C ATOM 1403 CE1 PHE A 92 -3.301 5.237 0.859 1.00 2.69 C ATOM 1404 CE2 PHE A 92 -2.322 4.068 -0.978 1.00 2.68 C ATOM 1405 CZ PHE A 92 -3.396 4.295 -0.145 1.00 2.89 C ATOM 0 H PHE A 92 2.506 6.651 -0.999 1.00 0.49 H new ATOM 0 HA PHE A 92 -0.287 7.499 -1.421 1.00 0.54 H new ATOM 0 HB2 PHE A 92 1.055 5.833 0.573 1.00 0.53 H new ATOM 0 HB3 PHE A 92 0.133 7.132 1.304 1.00 0.53 H new ATOM 0 HD1 PHE A 92 -2.066 6.688 1.813 1.00 1.94 H new ATOM 0 HD2 PHE A 92 -0.312 4.601 -1.461 1.00 1.92 H new ATOM 0 HE1 PHE A 92 -4.141 5.416 1.514 1.00 2.69 H new ATOM 0 HE2 PHE A 92 -2.394 3.332 -1.765 1.00 2.68 H new ATOM 0 HZ PHE A 92 -4.311 3.736 -0.278 1.00 2.89 H new ATOM 1415 N ALA A 93 2.235 9.066 -0.103 1.00 0.57 N ATOM 1416 CA ALA A 93 2.761 10.377 0.340 1.00 0.66 C ATOM 1417 C ALA A 93 2.147 11.521 -0.449 1.00 0.85 C ATOM 1418 O ALA A 93 2.003 11.418 -1.672 1.00 1.63 O ATOM 1419 CB ALA A 93 4.275 10.479 0.173 1.00 0.65 C ATOM 0 H ALA A 93 2.958 8.363 -0.259 1.00 0.57 H new ATOM 0 HA ALA A 93 2.497 10.452 1.395 1.00 0.66 H new ATOM 0 HB1 ALA A 93 4.613 11.458 0.511 1.00 0.65 H new ATOM 0 HB2 ALA A 93 4.760 9.703 0.766 1.00 0.65 H new ATOM 0 HB3 ALA A 93 4.535 10.348 -0.878 1.00 0.65 H new ATOM 1425 N LYS A 94 1.786 12.601 0.239 1.00 1.24 N ATOM 1426 CA LYS A 94 1.215 13.745 -0.449 1.00 1.42 C ATOM 1427 C LYS A 94 2.220 14.859 -0.594 1.00 1.36 C ATOM 1428 O LYS A 94 2.380 15.725 0.276 1.00 1.78 O ATOM 1429 CB LYS A 94 -0.095 14.237 0.168 1.00 1.75 C ATOM 1430 CG LYS A 94 -0.063 14.468 1.677 1.00 2.06 C ATOM 1431 CD LYS A 94 -1.406 14.961 2.196 1.00 2.52 C ATOM 1432 CE LYS A 94 -1.378 15.198 3.700 1.00 2.90 C ATOM 1433 NZ LYS A 94 -0.605 16.419 4.064 1.00 3.37 N ATOM 0 H LYS A 94 1.877 12.704 1.250 1.00 1.24 H new ATOM 0 HA LYS A 94 0.955 13.396 -1.448 1.00 1.42 H new ATOM 0 HB2 LYS A 94 -0.378 15.170 -0.319 1.00 1.75 H new ATOM 0 HB3 LYS A 94 -0.877 13.511 -0.055 1.00 1.75 H new ATOM 0 HG2 LYS A 94 0.205 13.540 2.182 1.00 2.06 H new ATOM 0 HG3 LYS A 94 0.711 15.197 1.918 1.00 2.06 H new ATOM 0 HD2 LYS A 94 -1.675 15.887 1.687 1.00 2.52 H new ATOM 0 HD3 LYS A 94 -2.179 14.230 1.957 1.00 2.52 H new ATOM 0 HE2 LYS A 94 -2.399 15.293 4.070 1.00 2.90 H new ATOM 0 HE3 LYS A 94 -0.939 14.331 4.194 1.00 2.90 H new ATOM 0 HZ1 LYS A 94 -0.613 16.540 5.097 1.00 3.37 H new ATOM 0 HZ2 LYS A 94 0.377 16.319 3.735 1.00 3.37 H new ATOM 0 HZ3 LYS A 94 -1.038 17.251 3.615 1.00 3.37 H new ATOM 1447 N ASP A 95 2.925 14.765 -1.721 1.00 1.40 N ATOM 1448 CA ASP A 95 3.981 15.719 -2.137 1.00 1.71 C ATOM 1449 C ASP A 95 5.248 15.488 -1.321 1.00 1.53 C ATOM 1450 O ASP A 95 6.288 16.112 -1.561 1.00 1.84 O ATOM 1451 CB ASP A 95 3.531 17.190 -1.999 1.00 2.30 C ATOM 1452 CG ASP A 95 2.374 17.537 -2.918 1.00 2.81 C ATOM 1453 OD1 ASP A 95 1.210 17.378 -2.495 1.00 3.23 O ATOM 1454 OD2 ASP A 95 2.633 17.969 -4.061 1.00 3.21 O ATOM 0 H ASP A 95 2.783 14.011 -2.393 1.00 1.40 H new ATOM 0 HA ASP A 95 4.182 15.535 -3.192 1.00 1.71 H new ATOM 0 HB2 ASP A 95 3.239 17.381 -0.966 1.00 2.30 H new ATOM 0 HB3 ASP A 95 4.374 17.846 -2.219 1.00 2.30 H new ATOM 1459 N GLY A 96 5.136 14.564 -0.358 1.00 1.38 N ATOM 1460 CA GLY A 96 6.247 14.240 0.522 1.00 1.83 C ATOM 1461 C GLY A 96 6.362 15.215 1.670 1.00 1.85 C ATOM 1462 O GLY A 96 7.139 16.173 1.612 1.00 2.43 O ATOM 0 H GLY A 96 4.285 14.033 -0.175 1.00 1.38 H new ATOM 0 HA2 GLY A 96 6.117 13.232 0.914 1.00 1.83 H new ATOM 0 HA3 GLY A 96 7.175 14.242 -0.050 1.00 1.83 H new ATOM 1466 N ASN A 97 5.580 14.955 2.708 1.00 1.55 N ATOM 1467 CA ASN A 97 5.544 15.798 3.903 1.00 1.99 C ATOM 1468 C ASN A 97 6.716 15.493 4.847 1.00 1.78 C ATOM 1469 O ASN A 97 7.244 16.398 5.501 1.00 2.66 O ATOM 1470 CB ASN A 97 4.205 15.629 4.625 1.00 2.43 C ATOM 1471 CG ASN A 97 3.822 16.847 5.449 1.00 3.41 C ATOM 1472 OD1 ASN A 97 3.160 17.761 4.956 1.00 4.01 O ATOM 1473 ND2 ASN A 97 4.238 16.865 6.710 1.00 4.00 N ATOM 0 H ASN A 97 4.950 14.154 2.749 1.00 1.55 H new ATOM 0 HA ASN A 97 5.646 16.836 3.587 1.00 1.99 H new ATOM 0 HB2 ASN A 97 3.424 15.433 3.891 1.00 2.43 H new ATOM 0 HB3 ASN A 97 4.256 14.757 5.277 1.00 2.43 H new ATOM 0 HD21 ASN A 97 4.011 17.658 7.311 1.00 4.00 H new ATOM 0 HD22 ASN A 97 4.784 16.086 7.078 1.00 4.00 H new ATOM 1480 N GLY A 98 7.106 14.216 4.905 1.00 1.20 N ATOM 1481 CA GLY A 98 8.220 13.798 5.734 1.00 1.80 C ATOM 1482 C GLY A 98 7.798 13.002 6.946 1.00 1.46 C ATOM 1483 O GLY A 98 8.103 11.815 7.041 1.00 1.68 O ATOM 0 H GLY A 98 6.661 13.460 4.384 1.00 1.20 H new ATOM 0 HA2 GLY A 98 8.905 13.198 5.135 1.00 1.80 H new ATOM 0 HA3 GLY A 98 8.771 14.680 6.061 1.00 1.80 H new ATOM 1487 N TYR A 99 7.041 13.638 7.834 1.00 1.07 N ATOM 1488 CA TYR A 99 6.601 12.997 9.075 1.00 0.84 C ATOM 1489 C TYR A 99 5.136 12.578 8.964 1.00 0.81 C ATOM 1490 O TYR A 99 4.245 13.426 8.831 1.00 0.96 O ATOM 1491 CB TYR A 99 6.783 13.952 10.264 1.00 1.07 C ATOM 1492 CG TYR A 99 8.228 14.265 10.593 1.00 1.57 C ATOM 1493 CD1 TYR A 99 8.965 13.441 11.435 1.00 2.28 C ATOM 1494 CD2 TYR A 99 8.853 15.388 10.063 1.00 2.37 C ATOM 1495 CE1 TYR A 99 10.283 13.726 11.739 1.00 3.13 C ATOM 1496 CE2 TYR A 99 10.170 15.679 10.362 1.00 3.24 C ATOM 1497 CZ TYR A 99 10.880 14.846 11.200 1.00 3.46 C ATOM 1498 OH TYR A 99 12.192 15.133 11.500 1.00 4.47 O ATOM 0 H TYR A 99 6.717 14.599 7.720 1.00 1.07 H new ATOM 0 HA TYR A 99 7.211 12.109 9.240 1.00 0.84 H new ATOM 0 HB2 TYR A 99 6.261 14.884 10.050 1.00 1.07 H new ATOM 0 HB3 TYR A 99 6.308 13.515 11.143 1.00 1.07 H new ATOM 0 HD1 TYR A 99 8.500 12.563 11.859 1.00 2.28 H new ATOM 0 HD2 TYR A 99 8.300 16.044 9.407 1.00 2.37 H new ATOM 0 HE1 TYR A 99 10.842 13.075 12.395 1.00 3.13 H new ATOM 0 HE2 TYR A 99 10.641 16.555 9.941 1.00 3.24 H new ATOM 0 HH TYR A 99 12.461 15.955 11.039 1.00 4.47 H new ATOM 1508 N ILE A 100 4.898 11.261 9.002 1.00 1.17 N ATOM 1509 CA ILE A 100 3.546 10.715 8.893 1.00 1.39 C ATOM 1510 C ILE A 100 2.989 10.271 10.257 1.00 1.13 C ATOM 1511 O ILE A 100 3.324 9.198 10.771 1.00 1.43 O ATOM 1512 CB ILE A 100 3.460 9.546 7.837 1.00 2.12 C ATOM 1513 CG1 ILE A 100 2.034 8.969 7.738 1.00 2.36 C ATOM 1514 CG2 ILE A 100 4.458 8.419 8.116 1.00 2.84 C ATOM 1515 CD1 ILE A 100 1.185 9.600 6.655 1.00 3.08 C ATOM 0 H ILE A 100 5.627 10.556 9.108 1.00 1.17 H new ATOM 0 HA ILE A 100 2.916 11.528 8.532 1.00 1.39 H new ATOM 0 HB ILE A 100 3.726 9.995 6.880 1.00 2.12 H new ATOM 0 HG12 ILE A 100 2.100 7.897 7.554 1.00 2.36 H new ATOM 0 HG13 ILE A 100 1.534 9.098 8.698 1.00 2.36 H new ATOM 0 HG21 ILE A 100 4.352 7.643 7.357 1.00 2.84 H new ATOM 0 HG22 ILE A 100 5.473 8.817 8.090 1.00 2.84 H new ATOM 0 HG23 ILE A 100 4.260 7.993 9.100 1.00 2.84 H new ATOM 0 HD11 ILE A 100 0.198 9.138 6.652 1.00 3.08 H new ATOM 0 HD12 ILE A 100 1.086 10.668 6.847 1.00 3.08 H new ATOM 0 HD13 ILE A 100 1.660 9.448 5.686 1.00 3.08 H new ATOM 1527 N SER A 101 2.149 11.137 10.833 1.00 0.79 N ATOM 1528 CA SER A 101 1.450 10.862 12.084 1.00 0.64 C ATOM 1529 C SER A 101 0.505 9.707 11.937 1.00 0.64 C ATOM 1530 O SER A 101 -0.215 9.595 10.945 1.00 0.70 O ATOM 1531 CB SER A 101 0.689 12.102 12.558 1.00 0.71 C ATOM 1532 OG SER A 101 0.336 11.995 13.927 1.00 1.45 O ATOM 0 H SER A 101 1.936 12.053 10.439 1.00 0.79 H new ATOM 0 HA SER A 101 2.199 10.598 12.830 1.00 0.64 H new ATOM 0 HB2 SER A 101 1.304 12.989 12.407 1.00 0.71 H new ATOM 0 HB3 SER A 101 -0.211 12.232 11.957 1.00 0.71 H new ATOM 0 HG SER A 101 -0.147 12.801 14.204 1.00 1.45 H new ATOM 1538 N ALA A 102 0.576 8.816 12.926 1.00 0.72 N ATOM 1539 CA ALA A 102 -0.308 7.641 13.006 1.00 0.83 C ATOM 1540 C ALA A 102 -1.784 8.044 12.848 1.00 0.77 C ATOM 1541 O ALA A 102 -2.647 7.197 12.614 1.00 0.87 O ATOM 1542 CB ALA A 102 -0.099 6.920 14.327 1.00 1.01 C ATOM 0 H ALA A 102 1.244 8.883 13.694 1.00 0.72 H new ATOM 0 HA ALA A 102 -0.053 6.968 12.187 1.00 0.83 H new ATOM 0 HB1 ALA A 102 -0.757 6.053 14.376 1.00 1.01 H new ATOM 0 HB2 ALA A 102 0.938 6.593 14.403 1.00 1.01 H new ATOM 0 HB3 ALA A 102 -0.328 7.596 15.151 1.00 1.01 H new ATOM 1548 N ALA A 103 -2.037 9.360 12.978 1.00 0.68 N ATOM 1549 CA ALA A 103 -3.381 9.936 12.843 1.00 0.71 C ATOM 1550 C ALA A 103 -3.716 10.266 11.378 1.00 0.64 C ATOM 1551 O ALA A 103 -4.889 10.402 11.022 1.00 0.71 O ATOM 1552 CB ALA A 103 -3.504 11.184 13.703 1.00 0.84 C ATOM 0 H ALA A 103 -1.314 10.050 13.179 1.00 0.68 H new ATOM 0 HA ALA A 103 -4.097 9.189 13.185 1.00 0.71 H new ATOM 0 HB1 ALA A 103 -4.504 11.603 13.595 1.00 0.84 H new ATOM 0 HB2 ALA A 103 -3.330 10.925 14.747 1.00 0.84 H new ATOM 0 HB3 ALA A 103 -2.766 11.920 13.384 1.00 0.84 H new ATOM 1558 N GLU A 104 -2.668 10.391 10.539 1.00 0.59 N ATOM 1559 CA GLU A 104 -2.804 10.694 9.104 1.00 0.69 C ATOM 1560 C GLU A 104 -3.523 9.592 8.334 1.00 0.67 C ATOM 1561 O GLU A 104 -4.004 9.825 7.221 1.00 0.74 O ATOM 1562 CB GLU A 104 -1.446 10.949 8.481 1.00 0.85 C ATOM 1563 CG GLU A 104 -0.913 12.343 8.747 1.00 0.99 C ATOM 1564 CD GLU A 104 0.359 12.650 7.980 1.00 1.24 C ATOM 1565 OE1 GLU A 104 1.417 12.805 8.625 1.00 1.81 O ATOM 1566 OE2 GLU A 104 0.297 12.738 6.735 1.00 1.65 O ATOM 0 H GLU A 104 -1.700 10.284 10.841 1.00 0.59 H new ATOM 0 HA GLU A 104 -3.415 11.594 9.035 1.00 0.69 H new ATOM 0 HB2 GLU A 104 -0.735 10.217 8.865 1.00 0.85 H new ATOM 0 HB3 GLU A 104 -1.514 10.793 7.404 1.00 0.85 H new ATOM 0 HG2 GLU A 104 -1.676 13.074 8.481 1.00 0.99 H new ATOM 0 HG3 GLU A 104 -0.723 12.455 9.814 1.00 0.99 H new ATOM 1573 N LEU A 105 -3.583 8.386 8.925 1.00 0.68 N ATOM 1574 CA LEU A 105 -4.266 7.242 8.312 1.00 0.80 C ATOM 1575 C LEU A 105 -5.736 7.514 8.064 1.00 0.68 C ATOM 1576 O LEU A 105 -6.391 6.841 7.263 1.00 0.69 O ATOM 1577 CB LEU A 105 -4.099 6.009 9.174 1.00 1.07 C ATOM 1578 CG LEU A 105 -2.964 5.108 8.737 1.00 1.38 C ATOM 1579 CD1 LEU A 105 -1.999 4.895 9.880 1.00 1.58 C ATOM 1580 CD2 LEU A 105 -3.517 3.797 8.216 1.00 1.81 C ATOM 0 H LEU A 105 -3.163 8.182 9.832 1.00 0.68 H new ATOM 0 HA LEU A 105 -3.801 7.071 7.341 1.00 0.80 H new ATOM 0 HB2 LEU A 105 -3.929 6.318 10.205 1.00 1.07 H new ATOM 0 HB3 LEU A 105 -5.028 5.439 9.161 1.00 1.07 H new ATOM 0 HG LEU A 105 -2.413 5.583 7.926 1.00 1.38 H new ATOM 0 HD11 LEU A 105 -1.187 4.245 9.554 1.00 1.58 H new ATOM 0 HD12 LEU A 105 -1.591 5.855 10.196 1.00 1.58 H new ATOM 0 HD13 LEU A 105 -2.522 4.430 10.716 1.00 1.58 H new ATOM 0 HD21 LEU A 105 -2.694 3.154 7.903 1.00 1.81 H new ATOM 0 HD22 LEU A 105 -4.085 3.303 9.004 1.00 1.81 H new ATOM 0 HD23 LEU A 105 -4.170 3.990 7.365 1.00 1.81 H new ATOM 1592 N ARG A 106 -6.220 8.510 8.772 1.00 0.65 N ATOM 1593 CA ARG A 106 -7.578 8.979 8.681 1.00 0.68 C ATOM 1594 C ARG A 106 -7.710 9.955 7.500 1.00 0.66 C ATOM 1595 O ARG A 106 -8.784 10.066 6.901 1.00 0.74 O ATOM 1596 CB ARG A 106 -7.887 9.642 10.020 1.00 0.79 C ATOM 1597 CG ARG A 106 -9.078 10.600 10.045 1.00 0.97 C ATOM 1598 CD ARG A 106 -9.324 11.148 11.441 1.00 1.46 C ATOM 1599 NE ARG A 106 -10.481 12.050 11.482 1.00 1.70 N ATOM 1600 CZ ARG A 106 -11.074 12.481 12.605 1.00 2.20 C ATOM 1601 NH1 ARG A 106 -10.636 12.105 13.805 1.00 2.54 N ATOM 1602 NH2 ARG A 106 -12.116 13.297 12.522 1.00 2.39 N ATOM 0 H ARG A 106 -5.659 9.030 9.447 1.00 0.65 H new ATOM 0 HA ARG A 106 -8.288 8.173 8.494 1.00 0.68 H new ATOM 0 HB2 ARG A 106 -8.063 8.858 10.757 1.00 0.79 H new ATOM 0 HB3 ARG A 106 -7.001 10.189 10.343 1.00 0.79 H new ATOM 0 HG2 ARG A 106 -8.897 11.425 9.356 1.00 0.97 H new ATOM 0 HG3 ARG A 106 -9.970 10.082 9.694 1.00 0.97 H new ATOM 0 HD2 ARG A 106 -9.485 10.321 12.132 1.00 1.46 H new ATOM 0 HD3 ARG A 106 -8.437 11.681 11.783 1.00 1.46 H new ATOM 0 HE ARG A 106 -10.862 12.372 10.592 1.00 1.70 H new ATOM 0 HH11 ARG A 106 -9.835 11.478 13.882 1.00 2.54 H new ATOM 0 HH12 ARG A 106 -11.101 12.444 14.647 1.00 2.54 H new ATOM 0 HH21 ARG A 106 -12.461 13.592 11.609 1.00 2.39 H new ATOM 0 HH22 ARG A 106 -12.573 13.629 13.371 1.00 2.39 H new ATOM 1616 N HIS A 107 -6.603 10.657 7.176 1.00 0.67 N ATOM 1617 CA HIS A 107 -6.600 11.617 6.074 1.00 0.82 C ATOM 1618 C HIS A 107 -6.275 10.981 4.722 1.00 0.87 C ATOM 1619 O HIS A 107 -6.951 11.289 3.740 1.00 1.00 O ATOM 1620 CB HIS A 107 -5.634 12.767 6.369 1.00 0.94 C ATOM 1621 CG HIS A 107 -6.143 13.729 7.398 1.00 1.07 C ATOM 1622 ND1 HIS A 107 -6.709 14.945 7.076 1.00 1.56 N ATOM 1623 CD2 HIS A 107 -6.167 13.651 8.750 1.00 1.61 C ATOM 1624 CE1 HIS A 107 -7.059 15.573 8.184 1.00 1.49 C ATOM 1625 NE2 HIS A 107 -6.742 14.809 9.213 1.00 1.46 N ATOM 0 H HIS A 107 -5.711 10.571 7.663 1.00 0.67 H new ATOM 0 HA HIS A 107 -7.616 12.005 5.999 1.00 0.82 H new ATOM 0 HB2 HIS A 107 -4.684 12.354 6.708 1.00 0.94 H new ATOM 0 HB3 HIS A 107 -5.434 13.309 5.445 1.00 0.94 H new ATOM 0 HD2 HIS A 107 -5.802 12.831 9.351 1.00 1.61 H new ATOM 0 HE1 HIS A 107 -7.525 16.546 8.239 1.00 1.49 H new ATOM 0 HE2 HIS A 107 -6.899 15.041 10.194 1.00 1.46 H new ATOM 1634 N VAL A 108 -5.255 10.104 4.650 1.00 0.90 N ATOM 1635 CA VAL A 108 -4.906 9.462 3.373 1.00 1.11 C ATOM 1636 C VAL A 108 -5.961 8.451 2.912 1.00 0.96 C ATOM 1637 O VAL A 108 -6.020 8.123 1.723 1.00 0.99 O ATOM 1638 CB VAL A 108 -3.495 8.810 3.310 1.00 1.41 C ATOM 1639 CG1 VAL A 108 -2.451 9.861 2.980 1.00 2.42 C ATOM 1640 CG2 VAL A 108 -3.097 8.051 4.567 1.00 0.86 C ATOM 0 H VAL A 108 -4.672 9.830 5.441 1.00 0.90 H new ATOM 0 HA VAL A 108 -4.881 10.305 2.682 1.00 1.11 H new ATOM 0 HB VAL A 108 -3.547 8.063 2.518 1.00 1.41 H new ATOM 0 HG11 VAL A 108 -1.466 9.395 2.938 1.00 2.42 H new ATOM 0 HG12 VAL A 108 -2.681 10.311 2.014 1.00 2.42 H new ATOM 0 HG13 VAL A 108 -2.455 10.632 3.750 1.00 2.42 H new ATOM 0 HG21 VAL A 108 -2.100 7.629 4.437 1.00 0.86 H new ATOM 0 HG22 VAL A 108 -3.094 8.732 5.418 1.00 0.86 H new ATOM 0 HG23 VAL A 108 -3.811 7.247 4.748 1.00 0.86 H new ATOM 1650 N MET A 109 -6.791 7.959 3.850 1.00 0.88 N ATOM 1651 CA MET A 109 -7.851 7.007 3.506 1.00 0.80 C ATOM 1652 C MET A 109 -9.074 7.737 2.948 1.00 0.72 C ATOM 1653 O MET A 109 -9.699 7.264 2.000 1.00 0.73 O ATOM 1654 CB MET A 109 -8.202 6.081 4.706 1.00 0.80 C ATOM 1655 CG MET A 109 -9.062 6.726 5.789 1.00 1.72 C ATOM 1656 SD MET A 109 -9.651 5.538 7.009 1.00 2.24 S ATOM 1657 CE MET A 109 -10.890 6.512 7.861 1.00 3.24 C ATOM 0 H MET A 109 -6.746 8.204 4.839 1.00 0.88 H new ATOM 0 HA MET A 109 -7.480 6.353 2.717 1.00 0.80 H new ATOM 0 HB2 MET A 109 -8.722 5.201 4.327 1.00 0.80 H new ATOM 0 HB3 MET A 109 -7.274 5.732 5.160 1.00 0.80 H new ATOM 0 HG2 MET A 109 -8.484 7.501 6.292 1.00 1.72 H new ATOM 0 HG3 MET A 109 -9.917 7.217 5.324 1.00 1.72 H new ATOM 0 HE1 MET A 109 -11.502 5.859 8.483 1.00 3.24 H new ATOM 0 HE2 MET A 109 -10.400 7.256 8.489 1.00 3.24 H new ATOM 0 HE3 MET A 109 -11.524 7.015 7.130 1.00 3.24 H new ATOM 1667 N THR A 110 -9.374 8.906 3.519 1.00 0.72 N ATOM 1668 CA THR A 110 -10.496 9.732 3.061 1.00 0.77 C ATOM 1669 C THR A 110 -10.024 10.590 1.885 1.00 0.89 C ATOM 1670 O THR A 110 -10.844 11.127 1.135 1.00 0.97 O ATOM 1671 CB THR A 110 -11.062 10.618 4.198 1.00 0.83 C ATOM 1672 OG1 THR A 110 -11.112 9.871 5.421 1.00 0.78 O ATOM 1673 CG2 THR A 110 -12.464 11.133 3.873 1.00 0.97 C ATOM 0 H THR A 110 -8.854 9.304 4.302 1.00 0.72 H new ATOM 0 HA THR A 110 -11.308 9.079 2.742 1.00 0.77 H new ATOM 0 HB THR A 110 -10.397 11.475 4.305 1.00 0.83 H new ATOM 0 HG1 THR A 110 -10.259 9.961 5.894 1.00 0.78 H new ATOM 0 HG21 THR A 110 -12.825 11.750 4.696 1.00 0.97 H new ATOM 0 HG22 THR A 110 -12.430 11.728 2.961 1.00 0.97 H new ATOM 0 HG23 THR A 110 -13.138 10.288 3.731 1.00 0.97 H new ATOM 1681 N ASN A 111 -8.685 10.725 1.747 1.00 0.96 N ATOM 1682 CA ASN A 111 -8.087 11.423 0.604 1.00 1.14 C ATOM 1683 C ASN A 111 -8.491 10.637 -0.644 1.00 1.13 C ATOM 1684 O ASN A 111 -8.660 11.196 -1.731 1.00 1.24 O ATOM 1685 CB ASN A 111 -6.559 11.501 0.740 1.00 1.26 C ATOM 1686 CG ASN A 111 -5.934 12.534 -0.184 1.00 1.50 C ATOM 1687 OD1 ASN A 111 -5.776 13.698 0.184 1.00 2.08 O ATOM 1688 ND2 ASN A 111 -5.574 12.109 -1.389 1.00 1.85 N ATOM 0 H ASN A 111 -8.007 10.358 2.415 1.00 0.96 H new ATOM 0 HA ASN A 111 -8.441 12.452 0.547 1.00 1.14 H new ATOM 0 HB2 ASN A 111 -6.303 11.742 1.772 1.00 1.26 H new ATOM 0 HB3 ASN A 111 -6.130 10.522 0.525 1.00 1.26 H new ATOM 0 HD21 ASN A 111 -5.148 12.757 -2.052 1.00 1.85 H new ATOM 0 HD22 ASN A 111 -5.724 11.135 -1.652 1.00 1.85 H new ATOM 1695 N LEU A 112 -8.638 9.311 -0.437 1.00 1.02 N ATOM 1696 CA LEU A 112 -9.132 8.401 -1.459 1.00 1.04 C ATOM 1697 C LEU A 112 -10.656 8.308 -1.291 1.00 0.95 C ATOM 1698 O LEU A 112 -11.379 7.922 -2.214 1.00 1.02 O ATOM 1699 CB LEU A 112 -8.488 7.012 -1.318 1.00 1.07 C ATOM 1700 CG LEU A 112 -6.955 6.972 -1.414 1.00 1.23 C ATOM 1701 CD1 LEU A 112 -6.414 5.764 -0.669 1.00 1.21 C ATOM 1702 CD2 LEU A 112 -6.500 6.940 -2.870 1.00 1.54 C ATOM 0 H LEU A 112 -8.414 8.854 0.447 1.00 1.02 H new ATOM 0 HA LEU A 112 -8.875 8.773 -2.451 1.00 1.04 H new ATOM 0 HB2 LEU A 112 -8.784 6.591 -0.357 1.00 1.07 H new ATOM 0 HB3 LEU A 112 -8.899 6.362 -2.091 1.00 1.07 H new ATOM 0 HG LEU A 112 -6.561 7.878 -0.954 1.00 1.23 H new ATOM 0 HD11 LEU A 112 -5.327 5.747 -0.744 1.00 1.21 H new ATOM 0 HD12 LEU A 112 -6.704 5.824 0.380 1.00 1.21 H new ATOM 0 HD13 LEU A 112 -6.822 4.853 -1.107 1.00 1.21 H new ATOM 0 HD21 LEU A 112 -5.411 6.912 -2.910 1.00 1.54 H new ATOM 0 HD22 LEU A 112 -6.904 6.053 -3.358 1.00 1.54 H new ATOM 0 HD23 LEU A 112 -6.859 7.832 -3.383 1.00 1.54 H new ATOM 1714 N GLY A 113 -11.111 8.678 -0.072 1.00 0.83 N ATOM 1715 CA GLY A 113 -12.527 8.702 0.272 1.00 0.82 C ATOM 1716 C GLY A 113 -13.062 7.395 0.807 1.00 0.76 C ATOM 1717 O GLY A 113 -14.237 7.067 0.618 1.00 0.82 O ATOM 0 H GLY A 113 -10.498 8.966 0.691 1.00 0.83 H new ATOM 0 HA2 GLY A 113 -12.694 9.481 1.016 1.00 0.82 H new ATOM 0 HA3 GLY A 113 -13.099 8.979 -0.614 1.00 0.82 H new ATOM 1721 N GLU A 114 -12.187 6.660 1.474 1.00 0.70 N ATOM 1722 CA GLU A 114 -12.502 5.365 2.069 1.00 0.70 C ATOM 1723 C GLU A 114 -13.554 5.491 3.158 1.00 0.73 C ATOM 1724 O GLU A 114 -13.582 6.479 3.898 1.00 0.73 O ATOM 1725 CB GLU A 114 -11.251 4.769 2.675 1.00 0.70 C ATOM 1726 CG GLU A 114 -10.333 4.101 1.662 1.00 0.79 C ATOM 1727 CD GLU A 114 -9.099 3.494 2.301 1.00 1.18 C ATOM 1728 OE1 GLU A 114 -8.044 4.162 2.305 1.00 1.44 O ATOM 1729 OE2 GLU A 114 -9.189 2.352 2.798 1.00 2.12 O ATOM 0 H GLU A 114 -11.220 6.949 1.621 1.00 0.70 H new ATOM 0 HA GLU A 114 -12.892 4.724 1.279 1.00 0.70 H new ATOM 0 HB2 GLU A 114 -10.698 5.555 3.189 1.00 0.70 H new ATOM 0 HB3 GLU A 114 -11.538 4.036 3.429 1.00 0.70 H new ATOM 0 HG2 GLU A 114 -10.885 3.322 1.136 1.00 0.79 H new ATOM 0 HG3 GLU A 114 -10.027 4.834 0.916 1.00 0.79 H new ATOM 1736 N LYS A 115 -14.407 4.482 3.239 1.00 0.82 N ATOM 1737 CA LYS A 115 -15.468 4.450 4.190 1.00 0.92 C ATOM 1738 C LYS A 115 -15.244 3.387 5.249 1.00 1.06 C ATOM 1739 O LYS A 115 -15.295 2.179 4.985 1.00 1.21 O ATOM 1740 CB LYS A 115 -16.775 4.228 3.480 1.00 1.04 C ATOM 1741 CG LYS A 115 -17.111 5.320 2.466 1.00 1.05 C ATOM 1742 CD LYS A 115 -18.058 4.820 1.379 1.00 1.31 C ATOM 1743 CE LYS A 115 -17.301 4.350 0.141 1.00 1.23 C ATOM 1744 NZ LYS A 115 -18.222 3.853 -0.918 1.00 1.56 N ATOM 0 H LYS A 115 -14.368 3.662 2.633 1.00 0.82 H new ATOM 0 HA LYS A 115 -15.495 5.411 4.704 1.00 0.92 H new ATOM 0 HB2 LYS A 115 -16.743 3.266 2.969 1.00 1.04 H new ATOM 0 HB3 LYS A 115 -17.575 4.170 4.218 1.00 1.04 H new ATOM 0 HG2 LYS A 115 -17.566 6.166 2.982 1.00 1.05 H new ATOM 0 HG3 LYS A 115 -16.192 5.683 2.007 1.00 1.05 H new ATOM 0 HD2 LYS A 115 -18.660 4.000 1.770 1.00 1.31 H new ATOM 0 HD3 LYS A 115 -18.748 5.618 1.102 1.00 1.31 H new ATOM 0 HE2 LYS A 115 -16.704 5.172 -0.254 1.00 1.23 H new ATOM 0 HE3 LYS A 115 -16.607 3.557 0.419 1.00 1.23 H new ATOM 0 HZ1 LYS A 115 -17.668 3.543 -1.742 1.00 1.56 H new ATOM 0 HZ2 LYS A 115 -18.774 3.052 -0.550 1.00 1.56 H new ATOM 0 HZ3 LYS A 115 -18.868 4.617 -1.202 1.00 1.56 H new ATOM 1758 N LEU A 116 -14.976 3.876 6.441 1.00 1.10 N ATOM 1759 CA LEU A 116 -14.717 3.044 7.612 1.00 1.28 C ATOM 1760 C LEU A 116 -15.501 3.563 8.816 1.00 1.19 C ATOM 1761 O LEU A 116 -16.035 4.678 8.775 1.00 1.19 O ATOM 1762 CB LEU A 116 -13.211 3.016 7.907 1.00 1.54 C ATOM 1763 CG LEU A 116 -12.413 1.972 7.117 1.00 2.66 C ATOM 1764 CD1 LEU A 116 -11.022 2.496 6.798 1.00 3.26 C ATOM 1765 CD2 LEU A 116 -12.321 0.664 7.893 1.00 3.12 C ATOM 0 H LEU A 116 -14.930 4.877 6.634 1.00 1.10 H new ATOM 0 HA LEU A 116 -15.049 2.026 7.409 1.00 1.28 H new ATOM 0 HB2 LEU A 116 -12.797 4.002 7.697 1.00 1.54 H new ATOM 0 HB3 LEU A 116 -13.068 2.830 8.972 1.00 1.54 H new ATOM 0 HG LEU A 116 -12.936 1.780 6.180 1.00 2.66 H new ATOM 0 HD11 LEU A 116 -10.469 1.742 6.237 1.00 3.26 H new ATOM 0 HD12 LEU A 116 -11.103 3.405 6.202 1.00 3.26 H new ATOM 0 HD13 LEU A 116 -10.495 2.717 7.726 1.00 3.26 H new ATOM 0 HD21 LEU A 116 -11.751 -0.063 7.315 1.00 3.12 H new ATOM 0 HD22 LEU A 116 -11.823 0.841 8.846 1.00 3.12 H new ATOM 0 HD23 LEU A 116 -13.324 0.277 8.074 1.00 3.12 H new ATOM 1777 N THR A 117 -15.571 2.761 9.889 1.00 1.15 N ATOM 1778 CA THR A 117 -16.273 3.172 11.110 1.00 1.08 C ATOM 1779 C THR A 117 -15.350 4.050 11.962 1.00 0.99 C ATOM 1780 O THR A 117 -14.125 4.004 11.806 1.00 0.98 O ATOM 1781 CB THR A 117 -16.766 1.961 11.943 1.00 1.04 C ATOM 1782 OG1 THR A 117 -17.017 0.839 11.089 1.00 1.34 O ATOM 1783 CG2 THR A 117 -18.046 2.302 12.700 1.00 1.40 C ATOM 0 H THR A 117 -15.153 1.832 9.935 1.00 1.15 H new ATOM 0 HA THR A 117 -17.155 3.737 10.808 1.00 1.08 H new ATOM 0 HB THR A 117 -15.983 1.712 12.660 1.00 1.04 H new ATOM 0 HG1 THR A 117 -16.702 0.020 11.524 1.00 1.34 H new ATOM 0 HG21 THR A 117 -18.370 1.435 13.276 1.00 1.40 H new ATOM 0 HG22 THR A 117 -17.858 3.137 13.375 1.00 1.40 H new ATOM 0 HG23 THR A 117 -18.826 2.578 11.990 1.00 1.40 H new ATOM 1791 N ASP A 118 -15.945 4.843 12.860 1.00 1.00 N ATOM 1792 CA ASP A 118 -15.187 5.759 13.728 1.00 1.00 C ATOM 1793 C ASP A 118 -14.178 5.027 14.622 1.00 0.90 C ATOM 1794 O ASP A 118 -13.060 5.510 14.813 1.00 0.96 O ATOM 1795 CB ASP A 118 -16.143 6.585 14.595 1.00 1.07 C ATOM 1796 CG ASP A 118 -16.929 7.604 13.791 1.00 1.51 C ATOM 1797 OD1 ASP A 118 -16.443 8.745 13.640 1.00 2.18 O ATOM 1798 OD2 ASP A 118 -18.030 7.261 13.311 1.00 2.05 O ATOM 0 H ASP A 118 -16.954 4.871 13.007 1.00 1.00 H new ATOM 0 HA ASP A 118 -14.621 6.418 13.070 1.00 1.00 H new ATOM 0 HB2 ASP A 118 -16.837 5.915 15.103 1.00 1.07 H new ATOM 0 HB3 ASP A 118 -15.573 7.100 15.368 1.00 1.07 H new ATOM 1803 N GLU A 119 -14.581 3.868 15.159 1.00 0.82 N ATOM 1804 CA GLU A 119 -13.721 3.078 16.034 1.00 0.81 C ATOM 1805 C GLU A 119 -12.865 2.069 15.275 1.00 0.77 C ATOM 1806 O GLU A 119 -11.772 1.728 15.739 1.00 0.78 O ATOM 1807 CB GLU A 119 -14.544 2.368 17.114 1.00 0.89 C ATOM 1808 CG GLU A 119 -15.071 3.297 18.198 1.00 1.11 C ATOM 1809 CD GLU A 119 -15.884 2.566 19.248 1.00 1.49 C ATOM 1810 OE1 GLU A 119 -15.291 2.114 20.250 1.00 2.02 O ATOM 1811 OE2 GLU A 119 -17.115 2.445 19.069 1.00 2.07 O ATOM 0 H GLU A 119 -15.502 3.460 14.999 1.00 0.82 H new ATOM 0 HA GLU A 119 -13.038 3.783 16.508 1.00 0.81 H new ATOM 0 HB2 GLU A 119 -15.386 1.862 16.641 1.00 0.89 H new ATOM 0 HB3 GLU A 119 -13.929 1.597 17.578 1.00 0.89 H new ATOM 0 HG2 GLU A 119 -14.232 3.801 18.679 1.00 1.11 H new ATOM 0 HG3 GLU A 119 -15.687 4.071 17.740 1.00 1.11 H new ATOM 1818 N GLU A 120 -13.352 1.581 14.119 1.00 0.77 N ATOM 1819 CA GLU A 120 -12.608 0.630 13.307 1.00 0.80 C ATOM 1820 C GLU A 120 -11.264 1.218 12.884 1.00 0.80 C ATOM 1821 O GLU A 120 -10.238 0.538 12.963 1.00 0.81 O ATOM 1822 CB GLU A 120 -13.437 0.227 12.090 1.00 0.97 C ATOM 1823 CG GLU A 120 -14.334 -0.977 12.337 1.00 1.21 C ATOM 1824 CD GLU A 120 -14.850 -1.607 11.055 1.00 1.52 C ATOM 1825 OE1 GLU A 120 -16.080 -1.605 10.845 1.00 2.13 O ATOM 1826 OE2 GLU A 120 -14.022 -2.108 10.263 1.00 1.93 O ATOM 0 H GLU A 120 -14.261 1.837 13.735 1.00 0.77 H new ATOM 0 HA GLU A 120 -12.408 -0.262 13.901 1.00 0.80 H new ATOM 0 HB2 GLU A 120 -14.053 1.072 11.784 1.00 0.97 H new ATOM 0 HB3 GLU A 120 -12.766 0.006 11.260 1.00 0.97 H new ATOM 0 HG2 GLU A 120 -13.781 -1.725 12.905 1.00 1.21 H new ATOM 0 HG3 GLU A 120 -15.181 -0.672 12.952 1.00 1.21 H new ATOM 1833 N VAL A 121 -11.278 2.486 12.437 1.00 0.84 N ATOM 1834 CA VAL A 121 -10.077 3.167 12.067 1.00 0.92 C ATOM 1835 C VAL A 121 -9.394 3.822 13.269 1.00 0.88 C ATOM 1836 O VAL A 121 -8.215 4.146 13.187 1.00 0.93 O ATOM 1837 CB VAL A 121 -10.301 4.154 10.905 1.00 1.19 C ATOM 1838 CG1 VAL A 121 -10.403 5.577 11.374 1.00 0.82 C ATOM 1839 CG2 VAL A 121 -9.168 4.010 9.929 1.00 2.24 C ATOM 0 H VAL A 121 -12.126 3.042 12.331 1.00 0.84 H new ATOM 0 HA VAL A 121 -9.387 2.409 11.695 1.00 0.92 H new ATOM 0 HB VAL A 121 -11.251 3.913 10.429 1.00 1.19 H new ATOM 0 HG11 VAL A 121 -10.560 6.232 10.517 1.00 0.82 H new ATOM 0 HG12 VAL A 121 -11.242 5.674 12.064 1.00 0.82 H new ATOM 0 HG13 VAL A 121 -9.481 5.860 11.882 1.00 0.82 H new ATOM 0 HG21 VAL A 121 -9.312 4.703 9.100 1.00 2.24 H new ATOM 0 HG22 VAL A 121 -8.226 4.234 10.430 1.00 2.24 H new ATOM 0 HG23 VAL A 121 -9.143 2.989 9.549 1.00 2.24 H new ATOM 1849 N ASP A 122 -10.135 4.022 14.377 1.00 0.86 N ATOM 1850 CA ASP A 122 -9.546 4.618 15.583 1.00 0.95 C ATOM 1851 C ASP A 122 -8.593 3.623 16.242 1.00 0.84 C ATOM 1852 O ASP A 122 -7.691 4.003 16.992 1.00 0.89 O ATOM 1853 CB ASP A 122 -10.632 5.064 16.568 1.00 1.08 C ATOM 1854 CG ASP A 122 -10.175 6.197 17.472 1.00 1.26 C ATOM 1855 OD1 ASP A 122 -10.350 7.371 17.085 1.00 1.76 O ATOM 1856 OD2 ASP A 122 -9.645 5.907 18.565 1.00 1.76 O ATOM 0 H ASP A 122 -11.123 3.783 14.458 1.00 0.86 H new ATOM 0 HA ASP A 122 -8.984 5.505 15.290 1.00 0.95 H new ATOM 0 HB2 ASP A 122 -11.513 5.382 16.011 1.00 1.08 H new ATOM 0 HB3 ASP A 122 -10.932 4.214 17.181 1.00 1.08 H new ATOM 1861 N GLU A 123 -8.834 2.346 15.955 1.00 0.75 N ATOM 1862 CA GLU A 123 -8.004 1.260 16.434 1.00 0.73 C ATOM 1863 C GLU A 123 -6.855 1.022 15.469 1.00 0.65 C ATOM 1864 O GLU A 123 -5.731 0.759 15.895 1.00 0.65 O ATOM 1865 CB GLU A 123 -8.829 -0.017 16.631 1.00 0.78 C ATOM 1866 CG GLU A 123 -9.624 -0.035 17.926 1.00 0.92 C ATOM 1867 CD GLU A 123 -10.432 -1.307 18.096 1.00 1.13 C ATOM 1868 OE1 GLU A 123 -11.596 -1.336 17.643 1.00 1.43 O ATOM 1869 OE2 GLU A 123 -9.901 -2.274 18.681 1.00 1.87 O ATOM 0 H GLU A 123 -9.618 2.041 15.379 1.00 0.75 H new ATOM 0 HA GLU A 123 -7.593 1.538 17.404 1.00 0.73 H new ATOM 0 HB2 GLU A 123 -9.515 -0.129 15.792 1.00 0.78 H new ATOM 0 HB3 GLU A 123 -8.160 -0.878 16.613 1.00 0.78 H new ATOM 0 HG2 GLU A 123 -8.941 0.073 18.769 1.00 0.92 H new ATOM 0 HG3 GLU A 123 -10.295 0.823 17.948 1.00 0.92 H new ATOM 1876 N MET A 124 -7.149 1.130 14.162 1.00 0.63 N ATOM 1877 CA MET A 124 -6.126 0.985 13.118 1.00 0.64 C ATOM 1878 C MET A 124 -5.210 2.199 13.152 1.00 0.64 C ATOM 1879 O MET A 124 -4.068 2.153 12.689 1.00 0.67 O ATOM 1880 CB MET A 124 -6.748 0.840 11.720 1.00 0.70 C ATOM 1881 CG MET A 124 -7.680 -0.354 11.562 1.00 1.18 C ATOM 1882 SD MET A 124 -6.831 -1.932 11.756 1.00 2.12 S ATOM 1883 CE MET A 124 -8.187 -3.077 11.518 1.00 2.40 C ATOM 0 H MET A 124 -8.086 1.317 13.806 1.00 0.63 H new ATOM 0 HA MET A 124 -5.560 0.075 13.318 1.00 0.64 H new ATOM 0 HB2 MET A 124 -7.301 1.750 11.487 1.00 0.70 H new ATOM 0 HB3 MET A 124 -5.946 0.758 10.986 1.00 0.70 H new ATOM 0 HG2 MET A 124 -8.481 -0.284 12.298 1.00 1.18 H new ATOM 0 HG3 MET A 124 -8.148 -0.317 10.578 1.00 1.18 H new ATOM 0 HE1 MET A 124 -7.820 -4.099 11.609 1.00 2.40 H new ATOM 0 HE2 MET A 124 -8.952 -2.898 12.274 1.00 2.40 H new ATOM 0 HE3 MET A 124 -8.616 -2.932 10.526 1.00 2.40 H new ATOM 1893 N ILE A 125 -5.748 3.284 13.720 1.00 0.65 N ATOM 1894 CA ILE A 125 -5.028 4.528 13.890 1.00 0.70 C ATOM 1895 C ILE A 125 -4.158 4.433 15.145 1.00 0.66 C ATOM 1896 O ILE A 125 -3.045 4.966 15.184 1.00 0.68 O ATOM 1897 CB ILE A 125 -6.031 5.712 14.008 1.00 0.82 C ATOM 1898 CG1 ILE A 125 -5.594 6.909 13.159 1.00 0.94 C ATOM 1899 CG2 ILE A 125 -6.240 6.144 15.459 1.00 0.84 C ATOM 1900 CD1 ILE A 125 -6.203 6.921 11.774 1.00 0.70 C ATOM 0 H ILE A 125 -6.704 3.312 14.074 1.00 0.65 H new ATOM 0 HA ILE A 125 -4.390 4.707 13.024 1.00 0.70 H new ATOM 0 HB ILE A 125 -6.984 5.347 13.625 1.00 0.82 H new ATOM 0 HG12 ILE A 125 -5.867 7.829 13.675 1.00 0.94 H new ATOM 0 HG13 ILE A 125 -4.508 6.904 13.070 1.00 0.94 H new ATOM 0 HG21 ILE A 125 -6.947 6.973 15.494 1.00 0.84 H new ATOM 0 HG22 ILE A 125 -6.634 5.306 16.035 1.00 0.84 H new ATOM 0 HG23 ILE A 125 -5.288 6.461 15.885 1.00 0.84 H new ATOM 0 HD11 ILE A 125 -5.850 7.796 11.229 1.00 0.70 H new ATOM 0 HD12 ILE A 125 -5.909 6.018 11.240 1.00 0.70 H new ATOM 0 HD13 ILE A 125 -7.289 6.958 11.855 1.00 0.70 H new ATOM 1912 N ARG A 126 -4.697 3.737 16.172 1.00 0.65 N ATOM 1913 CA ARG A 126 -3.993 3.574 17.433 1.00 0.68 C ATOM 1914 C ARG A 126 -3.045 2.403 17.429 1.00 0.64 C ATOM 1915 O ARG A 126 -2.215 2.240 18.330 1.00 0.69 O ATOM 1916 CB ARG A 126 -4.950 3.525 18.629 1.00 0.76 C ATOM 1917 CG ARG A 126 -5.541 4.878 18.996 1.00 1.02 C ATOM 1918 CD ARG A 126 -6.466 4.774 20.199 1.00 1.07 C ATOM 1919 NE ARG A 126 -7.042 6.073 20.564 1.00 1.63 N ATOM 1920 CZ ARG A 126 -7.820 6.289 21.635 1.00 1.79 C ATOM 1921 NH1 ARG A 126 -8.134 5.299 22.470 1.00 1.36 N ATOM 1922 NH2 ARG A 126 -8.287 7.507 21.869 1.00 2.58 N ATOM 0 H ARG A 126 -5.612 3.288 16.138 1.00 0.65 H new ATOM 0 HA ARG A 126 -3.379 4.467 17.548 1.00 0.68 H new ATOM 0 HB2 ARG A 126 -5.762 2.833 18.405 1.00 0.76 H new ATOM 0 HB3 ARG A 126 -4.418 3.125 19.492 1.00 0.76 H new ATOM 0 HG2 ARG A 126 -4.737 5.581 19.214 1.00 1.02 H new ATOM 0 HG3 ARG A 126 -6.092 5.278 18.145 1.00 1.02 H new ATOM 0 HD2 ARG A 126 -7.269 4.070 19.979 1.00 1.07 H new ATOM 0 HD3 ARG A 126 -5.913 4.371 21.048 1.00 1.07 H new ATOM 0 HE ARG A 126 -6.836 6.869 19.960 1.00 1.63 H new ATOM 0 HH11 ARG A 126 -7.781 4.357 22.300 1.00 1.36 H new ATOM 0 HH12 ARG A 126 -8.727 5.483 23.279 1.00 1.36 H new ATOM 0 HH21 ARG A 126 -8.054 8.273 21.237 1.00 2.58 H new ATOM 0 HH22 ARG A 126 -8.879 7.679 22.681 1.00 2.58 H new ATOM 1936 N GLU A 127 -3.185 1.606 16.401 1.00 0.59 N ATOM 1937 CA GLU A 127 -2.332 0.440 16.176 1.00 0.59 C ATOM 1938 C GLU A 127 -0.944 0.900 15.715 1.00 0.59 C ATOM 1939 O GLU A 127 -0.034 0.085 15.525 1.00 0.63 O ATOM 1940 CB GLU A 127 -2.952 -0.488 15.131 1.00 0.61 C ATOM 1941 CG GLU A 127 -3.867 -1.551 15.721 1.00 0.66 C ATOM 1942 CD GLU A 127 -4.332 -2.559 14.688 1.00 1.28 C ATOM 1943 OE1 GLU A 127 -5.509 -2.488 14.279 1.00 1.91 O ATOM 1944 OE2 GLU A 127 -3.519 -3.419 14.289 1.00 2.06 O ATOM 0 H GLU A 127 -3.897 1.739 15.683 1.00 0.59 H new ATOM 0 HA GLU A 127 -2.238 -0.112 17.111 1.00 0.59 H new ATOM 0 HB2 GLU A 127 -3.518 0.110 14.417 1.00 0.61 H new ATOM 0 HB3 GLU A 127 -2.153 -0.978 14.574 1.00 0.61 H new ATOM 0 HG2 GLU A 127 -3.343 -2.073 16.522 1.00 0.66 H new ATOM 0 HG3 GLU A 127 -4.736 -1.069 16.170 1.00 0.66 H new ATOM 1951 N ALA A 128 -0.804 2.230 15.552 1.00 0.59 N ATOM 1952 CA ALA A 128 0.449 2.833 15.093 1.00 0.64 C ATOM 1953 C ALA A 128 0.851 4.067 15.912 1.00 0.63 C ATOM 1954 O ALA A 128 1.867 4.704 15.602 1.00 0.65 O ATOM 1955 CB ALA A 128 0.342 3.199 13.617 1.00 0.72 C ATOM 0 H ALA A 128 -1.549 2.903 15.734 1.00 0.59 H new ATOM 0 HA ALA A 128 1.231 2.088 15.236 1.00 0.64 H new ATOM 0 HB1 ALA A 128 1.278 3.647 13.284 1.00 0.72 H new ATOM 0 HB2 ALA A 128 0.142 2.301 13.033 1.00 0.72 H new ATOM 0 HB3 ALA A 128 -0.471 3.912 13.477 1.00 0.72 H new ATOM 1961 N ALA A 129 0.072 4.407 16.963 1.00 0.67 N ATOM 1962 CA ALA A 129 0.375 5.578 17.808 1.00 0.72 C ATOM 1963 C ALA A 129 1.768 5.478 18.434 1.00 0.77 C ATOM 1964 O ALA A 129 2.020 4.633 19.302 1.00 0.86 O ATOM 1965 CB ALA A 129 -0.679 5.757 18.898 1.00 0.83 C ATOM 0 H ALA A 129 -0.763 3.891 17.242 1.00 0.67 H new ATOM 0 HA ALA A 129 0.358 6.453 17.159 1.00 0.72 H new ATOM 0 HB1 ALA A 129 -0.430 6.627 19.505 1.00 0.83 H new ATOM 0 HB2 ALA A 129 -1.657 5.903 18.438 1.00 0.83 H new ATOM 0 HB3 ALA A 129 -0.704 4.869 19.530 1.00 0.83 H new ATOM 1971 N ILE A 130 2.665 6.344 17.962 1.00 0.77 N ATOM 1972 CA ILE A 130 4.039 6.388 18.453 1.00 0.87 C ATOM 1973 C ILE A 130 4.254 7.627 19.294 1.00 1.01 C ATOM 1974 O ILE A 130 3.780 8.717 18.964 1.00 1.27 O ATOM 1975 CB ILE A 130 5.092 6.270 17.304 1.00 0.91 C ATOM 1976 CG1 ILE A 130 6.514 6.666 17.739 1.00 1.07 C ATOM 1977 CG2 ILE A 130 4.686 7.055 16.056 1.00 1.28 C ATOM 1978 CD1 ILE A 130 7.349 5.484 18.178 1.00 1.57 C ATOM 0 H ILE A 130 2.460 7.029 17.234 1.00 0.77 H new ATOM 0 HA ILE A 130 4.193 5.513 19.085 1.00 0.87 H new ATOM 0 HB ILE A 130 5.111 5.210 17.051 1.00 0.91 H new ATOM 0 HG12 ILE A 130 7.014 7.170 16.912 1.00 1.07 H new ATOM 0 HG13 ILE A 130 6.451 7.383 18.557 1.00 1.07 H new ATOM 0 HG21 ILE A 130 5.451 6.940 15.289 1.00 1.28 H new ATOM 0 HG22 ILE A 130 3.736 6.675 15.681 1.00 1.28 H new ATOM 0 HG23 ILE A 130 4.581 8.110 16.308 1.00 1.28 H new ATOM 0 HD11 ILE A 130 8.340 5.828 18.472 1.00 1.57 H new ATOM 0 HD12 ILE A 130 6.869 4.994 19.025 1.00 1.57 H new ATOM 0 HD13 ILE A 130 7.440 4.777 17.354 1.00 1.57 H new ATOM 1990 N ASP A 131 5.030 7.424 20.361 1.00 1.22 N ATOM 1991 CA ASP A 131 5.357 8.457 21.380 1.00 1.45 C ATOM 1992 C ASP A 131 4.106 9.024 22.083 1.00 1.44 C ATOM 1993 O ASP A 131 4.145 9.363 23.270 1.00 1.64 O ATOM 1994 CB ASP A 131 6.178 9.581 20.743 1.00 1.64 C ATOM 1995 CG ASP A 131 7.051 10.324 21.741 1.00 2.27 C ATOM 1996 OD1 ASP A 131 8.210 9.904 21.943 1.00 2.70 O ATOM 1997 OD2 ASP A 131 6.575 11.324 22.318 1.00 2.90 O ATOM 0 H ASP A 131 5.464 6.522 20.556 1.00 1.22 H new ATOM 0 HA ASP A 131 5.949 7.969 22.154 1.00 1.45 H new ATOM 0 HB2 ASP A 131 6.809 9.162 19.959 1.00 1.64 H new ATOM 0 HB3 ASP A 131 5.502 10.289 20.263 1.00 1.64 H new ATOM 2002 N GLY A 132 3.024 9.111 21.323 1.00 1.31 N ATOM 2003 CA GLY A 132 1.749 9.623 21.805 1.00 1.35 C ATOM 2004 C GLY A 132 1.076 10.521 20.780 1.00 1.46 C ATOM 2005 O GLY A 132 -0.155 10.604 20.737 1.00 1.75 O ATOM 0 H GLY A 132 3.006 8.825 20.344 1.00 1.31 H new ATOM 0 HA2 GLY A 132 1.090 8.789 22.045 1.00 1.35 H new ATOM 0 HA3 GLY A 132 1.907 10.180 22.728 1.00 1.35 H new ATOM 2009 N ASP A 133 1.895 11.195 19.956 1.00 1.34 N ATOM 2010 CA ASP A 133 1.398 12.078 18.895 1.00 1.49 C ATOM 2011 C ASP A 133 1.165 11.265 17.614 1.00 1.37 C ATOM 2012 O ASP A 133 0.141 11.430 16.943 1.00 1.69 O ATOM 2013 CB ASP A 133 2.395 13.219 18.641 1.00 1.52 C ATOM 2014 CG ASP A 133 1.746 14.441 18.014 1.00 1.94 C ATOM 2015 OD1 ASP A 133 1.707 14.519 16.768 1.00 2.14 O ATOM 2016 OD2 ASP A 133 1.276 15.317 18.769 1.00 2.60 O ATOM 0 H ASP A 133 2.912 11.142 20.008 1.00 1.34 H new ATOM 0 HA ASP A 133 0.451 12.518 19.208 1.00 1.49 H new ATOM 0 HB2 ASP A 133 2.861 13.505 19.584 1.00 1.52 H new ATOM 0 HB3 ASP A 133 3.191 12.861 17.988 1.00 1.52 H new ATOM 2021 N GLY A 134 2.131 10.392 17.295 1.00 1.04 N ATOM 2022 CA GLY A 134 2.028 9.526 16.130 1.00 1.15 C ATOM 2023 C GLY A 134 2.832 9.982 14.922 1.00 1.03 C ATOM 2024 O GLY A 134 3.032 9.190 13.997 1.00 1.25 O ATOM 0 H GLY A 134 2.990 10.273 17.833 1.00 1.04 H new ATOM 0 HA2 GLY A 134 2.355 8.525 16.409 1.00 1.15 H new ATOM 0 HA3 GLY A 134 0.979 9.450 15.843 1.00 1.15 H new ATOM 2028 N GLN A 135 3.324 11.236 14.923 1.00 0.84 N ATOM 2029 CA GLN A 135 4.101 11.760 13.781 1.00 0.77 C ATOM 2030 C GLN A 135 5.475 11.113 13.684 1.00 0.74 C ATOM 2031 O GLN A 135 6.277 11.174 14.620 1.00 0.80 O ATOM 2032 CB GLN A 135 4.199 13.298 13.793 1.00 0.80 C ATOM 2033 CG GLN A 135 4.558 13.922 15.142 1.00 1.03 C ATOM 2034 CD GLN A 135 4.644 15.435 15.079 1.00 1.40 C ATOM 2035 OE1 GLN A 135 3.654 16.134 15.292 1.00 2.05 O ATOM 2036 NE2 GLN A 135 5.833 15.949 14.785 1.00 1.98 N ATOM 0 H GLN A 135 3.200 11.897 15.690 1.00 0.84 H new ATOM 0 HA GLN A 135 3.549 11.487 12.882 1.00 0.77 H new ATOM 0 HB2 GLN A 135 4.946 13.603 13.060 1.00 0.80 H new ATOM 0 HB3 GLN A 135 3.244 13.709 13.465 1.00 0.80 H new ATOM 0 HG2 GLN A 135 3.811 13.635 15.882 1.00 1.03 H new ATOM 0 HG3 GLN A 135 5.513 13.521 15.481 1.00 1.03 H new ATOM 0 HE21 GLN A 135 6.628 15.332 14.616 1.00 1.98 H new ATOM 0 HE22 GLN A 135 5.952 16.961 14.729 1.00 1.98 H new ATOM 2045 N VAL A 136 5.721 10.495 12.523 1.00 0.69 N ATOM 2046 CA VAL A 136 6.986 9.773 12.272 1.00 0.68 C ATOM 2047 C VAL A 136 7.361 9.777 10.790 1.00 0.64 C ATOM 2048 O VAL A 136 6.516 9.538 9.934 1.00 0.67 O ATOM 2049 CB VAL A 136 6.944 8.306 12.786 1.00 0.75 C ATOM 2050 CG1 VAL A 136 7.443 8.230 14.221 1.00 0.91 C ATOM 2051 CG2 VAL A 136 5.541 7.706 12.678 1.00 0.88 C ATOM 0 H VAL A 136 5.067 10.477 11.741 1.00 0.69 H new ATOM 0 HA VAL A 136 7.748 10.314 12.833 1.00 0.68 H new ATOM 0 HB VAL A 136 7.604 7.717 12.149 1.00 0.75 H new ATOM 0 HG11 VAL A 136 7.407 7.196 14.565 1.00 0.91 H new ATOM 0 HG12 VAL A 136 8.470 8.592 14.269 1.00 0.91 H new ATOM 0 HG13 VAL A 136 6.810 8.847 14.859 1.00 0.91 H new ATOM 0 HG21 VAL A 136 5.554 6.680 13.047 1.00 0.88 H new ATOM 0 HG22 VAL A 136 4.846 8.297 13.274 1.00 0.88 H new ATOM 0 HG23 VAL A 136 5.222 7.712 11.636 1.00 0.88 H new ATOM 2061 N ASN A 137 8.651 10.009 10.506 1.00 0.63 N ATOM 2062 CA ASN A 137 9.171 10.091 9.149 1.00 0.62 C ATOM 2063 C ASN A 137 9.331 8.724 8.473 1.00 0.59 C ATOM 2064 O ASN A 137 8.819 7.708 8.949 1.00 0.59 O ATOM 2065 CB ASN A 137 10.513 10.793 9.208 1.00 0.66 C ATOM 2066 CG ASN A 137 10.676 11.880 8.165 1.00 0.80 C ATOM 2067 OD1 ASN A 137 10.980 11.607 7.006 1.00 1.18 O ATOM 2068 ND2 ASN A 137 10.475 13.126 8.576 1.00 1.45 N ATOM 0 H ASN A 137 9.363 10.145 11.224 1.00 0.63 H new ATOM 0 HA ASN A 137 8.451 10.643 8.545 1.00 0.62 H new ATOM 0 HB2 ASN A 137 10.642 11.229 10.198 1.00 0.66 H new ATOM 0 HB3 ASN A 137 11.305 10.056 9.079 1.00 0.66 H new ATOM 0 HD21 ASN A 137 10.572 13.901 7.920 1.00 1.45 H new ATOM 0 HD22 ASN A 137 10.224 13.308 9.548 1.00 1.45 H new ATOM 2075 N TYR A 138 10.061 8.745 7.348 1.00 0.62 N ATOM 2076 CA TYR A 138 10.334 7.575 6.513 1.00 0.66 C ATOM 2077 C TYR A 138 11.062 6.431 7.244 1.00 0.61 C ATOM 2078 O TYR A 138 10.816 5.259 6.957 1.00 0.67 O ATOM 2079 CB TYR A 138 11.155 8.026 5.295 1.00 0.75 C ATOM 2080 CG TYR A 138 12.597 8.423 5.586 1.00 1.21 C ATOM 2081 CD1 TYR A 138 12.918 9.704 6.014 1.00 1.93 C ATOM 2082 CD2 TYR A 138 13.632 7.508 5.428 1.00 2.03 C ATOM 2083 CE1 TYR A 138 14.227 10.062 6.277 1.00 2.59 C ATOM 2084 CE2 TYR A 138 14.943 7.858 5.690 1.00 2.76 C ATOM 2085 CZ TYR A 138 15.235 9.136 6.114 1.00 2.81 C ATOM 2086 OH TYR A 138 16.539 9.490 6.375 1.00 3.66 O ATOM 0 H TYR A 138 10.487 9.599 6.988 1.00 0.62 H new ATOM 0 HA TYR A 138 9.370 7.163 6.216 1.00 0.66 H new ATOM 0 HB2 TYR A 138 11.160 7.219 4.563 1.00 0.75 H new ATOM 0 HB3 TYR A 138 10.650 8.873 4.832 1.00 0.75 H new ATOM 0 HD1 TYR A 138 12.132 10.433 6.144 1.00 1.93 H new ATOM 0 HD2 TYR A 138 13.407 6.506 5.094 1.00 2.03 H new ATOM 0 HE1 TYR A 138 14.459 11.063 6.609 1.00 2.59 H new ATOM 0 HE2 TYR A 138 15.734 7.134 5.563 1.00 2.76 H new ATOM 0 HH TYR A 138 17.125 8.722 6.212 1.00 3.66 H new ATOM 2096 N GLU A 139 11.949 6.793 8.184 1.00 0.57 N ATOM 2097 CA GLU A 139 12.772 5.829 8.946 1.00 0.60 C ATOM 2098 C GLU A 139 11.978 4.653 9.541 1.00 0.54 C ATOM 2099 O GLU A 139 12.384 3.497 9.390 1.00 0.57 O ATOM 2100 CB GLU A 139 13.532 6.555 10.064 1.00 0.68 C ATOM 2101 CG GLU A 139 14.688 7.411 9.569 1.00 0.89 C ATOM 2102 CD GLU A 139 15.421 8.109 10.697 1.00 1.36 C ATOM 2103 OE1 GLU A 139 16.391 7.525 11.226 1.00 2.24 O ATOM 2104 OE2 GLU A 139 15.026 9.239 11.052 1.00 1.61 O ATOM 0 H GLU A 139 12.119 7.765 8.441 1.00 0.57 H new ATOM 0 HA GLU A 139 13.465 5.396 8.225 1.00 0.60 H new ATOM 0 HB2 GLU A 139 12.834 7.187 10.613 1.00 0.68 H new ATOM 0 HB3 GLU A 139 13.915 5.817 10.768 1.00 0.68 H new ATOM 0 HG2 GLU A 139 15.389 6.784 9.018 1.00 0.89 H new ATOM 0 HG3 GLU A 139 14.310 8.157 8.870 1.00 0.89 H new ATOM 2111 N GLU A 140 10.857 4.950 10.210 1.00 0.51 N ATOM 2112 CA GLU A 140 10.034 3.911 10.842 1.00 0.52 C ATOM 2113 C GLU A 140 8.955 3.352 9.922 1.00 0.47 C ATOM 2114 O GLU A 140 8.693 2.145 9.949 1.00 0.49 O ATOM 2115 CB GLU A 140 9.394 4.448 12.129 1.00 0.59 C ATOM 2116 CG GLU A 140 10.355 4.564 13.309 1.00 1.02 C ATOM 2117 CD GLU A 140 11.236 5.800 13.240 1.00 1.31 C ATOM 2118 OE1 GLU A 140 12.392 5.680 12.782 1.00 1.91 O ATOM 2119 OE2 GLU A 140 10.768 6.885 13.643 1.00 2.02 O ATOM 0 H GLU A 140 10.500 5.898 10.328 1.00 0.51 H new ATOM 0 HA GLU A 140 10.708 3.087 11.075 1.00 0.52 H new ATOM 0 HB2 GLU A 140 8.967 5.430 11.926 1.00 0.59 H new ATOM 0 HB3 GLU A 140 8.569 3.794 12.411 1.00 0.59 H new ATOM 0 HG2 GLU A 140 9.782 4.585 14.236 1.00 1.02 H new ATOM 0 HG3 GLU A 140 10.987 3.676 13.344 1.00 1.02 H new ATOM 2126 N PHE A 141 8.329 4.213 9.110 1.00 0.45 N ATOM 2127 CA PHE A 141 7.265 3.766 8.206 1.00 0.43 C ATOM 2128 C PHE A 141 7.807 3.040 6.962 1.00 0.41 C ATOM 2129 O PHE A 141 7.031 2.543 6.139 1.00 0.44 O ATOM 2130 CB PHE A 141 6.335 4.921 7.847 1.00 0.45 C ATOM 2131 CG PHE A 141 5.080 4.928 8.681 1.00 0.69 C ATOM 2132 CD1 PHE A 141 5.043 5.564 9.914 1.00 1.33 C ATOM 2133 CD2 PHE A 141 3.939 4.283 8.236 1.00 1.55 C ATOM 2134 CE1 PHE A 141 3.889 5.553 10.679 1.00 1.59 C ATOM 2135 CE2 PHE A 141 2.788 4.275 8.999 1.00 1.88 C ATOM 2136 CZ PHE A 141 2.763 4.909 10.219 1.00 1.54 C ATOM 0 H PHE A 141 8.538 5.210 9.061 1.00 0.45 H new ATOM 0 HA PHE A 141 6.675 3.023 8.743 1.00 0.43 H new ATOM 0 HB2 PHE A 141 6.863 5.865 7.982 1.00 0.45 H new ATOM 0 HB3 PHE A 141 6.067 4.854 6.793 1.00 0.45 H new ATOM 0 HD1 PHE A 141 5.923 6.072 10.280 1.00 1.33 H new ATOM 0 HD2 PHE A 141 3.949 3.780 7.280 1.00 1.55 H new ATOM 0 HE1 PHE A 141 3.872 6.050 11.638 1.00 1.59 H new ATOM 0 HE2 PHE A 141 1.905 3.769 8.637 1.00 1.88 H new ATOM 0 HZ PHE A 141 1.862 4.902 10.815 1.00 1.54 H new ATOM 2146 N VAL A 142 9.147 2.988 6.835 1.00 0.42 N ATOM 2147 CA VAL A 142 9.813 2.235 5.759 1.00 0.44 C ATOM 2148 C VAL A 142 9.892 0.794 6.204 1.00 0.46 C ATOM 2149 O VAL A 142 9.771 -0.125 5.392 1.00 0.48 O ATOM 2150 CB VAL A 142 11.243 2.748 5.477 1.00 0.48 C ATOM 2151 CG1 VAL A 142 12.238 1.615 5.232 1.00 0.53 C ATOM 2152 CG2 VAL A 142 11.275 3.747 4.320 1.00 0.50 C ATOM 0 H VAL A 142 9.791 3.462 7.469 1.00 0.42 H new ATOM 0 HA VAL A 142 9.240 2.356 4.840 1.00 0.44 H new ATOM 0 HB VAL A 142 11.555 3.267 6.383 1.00 0.48 H new ATOM 0 HG11 VAL A 142 13.226 2.034 5.039 1.00 0.53 H new ATOM 0 HG12 VAL A 142 12.281 0.972 6.111 1.00 0.53 H new ATOM 0 HG13 VAL A 142 11.918 1.029 4.370 1.00 0.53 H new ATOM 0 HG21 VAL A 142 12.299 4.082 4.156 1.00 0.50 H new ATOM 0 HG22 VAL A 142 10.901 3.268 3.415 1.00 0.50 H new ATOM 0 HG23 VAL A 142 10.648 4.605 4.562 1.00 0.50 H new ATOM 2162 N GLN A 143 10.124 0.621 7.524 1.00 0.49 N ATOM 2163 CA GLN A 143 10.189 -0.694 8.148 1.00 0.54 C ATOM 2164 C GLN A 143 8.936 -1.490 7.793 1.00 0.52 C ATOM 2165 O GLN A 143 8.942 -2.723 7.793 1.00 0.57 O ATOM 2166 CB GLN A 143 10.318 -0.534 9.658 1.00 0.59 C ATOM 2167 CG GLN A 143 10.987 -1.707 10.364 1.00 0.64 C ATOM 2168 CD GLN A 143 11.130 -1.485 11.856 1.00 0.89 C ATOM 2169 OE1 GLN A 143 10.243 -1.836 12.635 1.00 1.62 O ATOM 2170 NE2 GLN A 143 12.250 -0.899 12.263 1.00 1.55 N ATOM 0 H GLN A 143 10.269 1.394 8.174 1.00 0.49 H new ATOM 0 HA GLN A 143 11.060 -1.236 7.780 1.00 0.54 H new ATOM 0 HB2 GLN A 143 10.887 0.372 9.867 1.00 0.59 H new ATOM 0 HB3 GLN A 143 9.324 -0.391 10.081 1.00 0.59 H new ATOM 0 HG2 GLN A 143 10.404 -2.611 10.189 1.00 0.64 H new ATOM 0 HG3 GLN A 143 11.973 -1.874 9.929 1.00 0.64 H new ATOM 0 HE21 GLN A 143 12.958 -0.625 11.582 1.00 1.55 H new ATOM 0 HE22 GLN A 143 12.402 -0.723 13.256 1.00 1.55 H new ATOM 2179 N MET A 144 7.861 -0.734 7.508 1.00 0.49 N ATOM 2180 CA MET A 144 6.593 -1.280 7.048 1.00 0.49 C ATOM 2181 C MET A 144 6.870 -2.193 5.850 1.00 0.51 C ATOM 2182 O MET A 144 6.342 -3.306 5.770 1.00 0.58 O ATOM 2183 CB MET A 144 5.652 -0.127 6.626 1.00 0.52 C ATOM 2184 CG MET A 144 4.164 -0.480 6.616 1.00 0.93 C ATOM 2185 SD MET A 144 3.336 -0.032 8.161 1.00 2.33 S ATOM 2186 CE MET A 144 3.951 -1.280 9.295 1.00 3.20 C ATOM 0 H MET A 144 7.859 0.282 7.595 1.00 0.49 H new ATOM 0 HA MET A 144 6.113 -1.847 7.846 1.00 0.49 H new ATOM 0 HB2 MET A 144 5.806 0.714 7.302 1.00 0.52 H new ATOM 0 HB3 MET A 144 5.937 0.209 5.629 1.00 0.52 H new ATOM 0 HG2 MET A 144 3.678 0.032 5.785 1.00 0.93 H new ATOM 0 HG3 MET A 144 4.049 -1.550 6.443 1.00 0.93 H new ATOM 0 HE1 MET A 144 3.283 -1.353 10.153 1.00 3.20 H new ATOM 0 HE2 MET A 144 3.996 -2.243 8.787 1.00 3.20 H new ATOM 0 HE3 MET A 144 4.949 -1.003 9.635 1.00 3.20 H new ATOM 2196 N MET A 145 7.712 -1.692 4.922 1.00 0.49 N ATOM 2197 CA MET A 145 8.072 -2.461 3.733 1.00 0.56 C ATOM 2198 C MET A 145 9.377 -3.260 3.906 1.00 0.62 C ATOM 2199 O MET A 145 9.478 -4.378 3.390 1.00 0.75 O ATOM 2200 CB MET A 145 8.147 -1.554 2.502 1.00 0.58 C ATOM 2201 CG MET A 145 7.999 -2.294 1.166 1.00 1.52 C ATOM 2202 SD MET A 145 9.417 -3.323 0.745 1.00 2.50 S ATOM 2203 CE MET A 145 8.735 -4.292 -0.597 1.00 3.22 C ATOM 0 H MET A 145 8.145 -0.770 4.979 1.00 0.49 H new ATOM 0 HA MET A 145 7.279 -3.193 3.584 1.00 0.56 H new ATOM 0 HB2 MET A 145 7.366 -0.797 2.574 1.00 0.58 H new ATOM 0 HB3 MET A 145 9.102 -1.028 2.510 1.00 0.58 H new ATOM 0 HG2 MET A 145 7.107 -2.919 1.204 1.00 1.52 H new ATOM 0 HG3 MET A 145 7.843 -1.564 0.372 1.00 1.52 H new ATOM 0 HE1 MET A 145 8.992 -5.342 -0.455 1.00 3.22 H new ATOM 0 HE2 MET A 145 7.651 -4.183 -0.610 1.00 3.22 H new ATOM 0 HE3 MET A 145 9.147 -3.943 -1.544 1.00 3.22 H new ATOM 2213 N THR A 146 10.366 -2.707 4.642 1.00 0.59 N ATOM 2214 CA THR A 146 11.668 -3.357 4.791 1.00 0.68 C ATOM 2215 C THR A 146 11.627 -4.630 5.646 1.00 0.78 C ATOM 2216 O THR A 146 12.456 -5.527 5.466 1.00 0.89 O ATOM 2217 CB THR A 146 12.709 -2.406 5.405 1.00 0.69 C ATOM 2218 OG1 THR A 146 12.073 -1.305 6.050 1.00 0.63 O ATOM 2219 CG2 THR A 146 13.677 -1.889 4.351 1.00 0.71 C ATOM 0 H THR A 146 10.280 -1.818 5.135 1.00 0.59 H new ATOM 0 HA THR A 146 11.953 -3.634 3.776 1.00 0.68 H new ATOM 0 HB THR A 146 13.272 -2.976 6.144 1.00 0.69 H new ATOM 0 HG1 THR A 146 12.676 -0.928 6.724 1.00 0.63 H new ATOM 0 HG21 THR A 146 14.400 -1.220 4.818 1.00 0.71 H new ATOM 0 HG22 THR A 146 14.202 -2.729 3.896 1.00 0.71 H new ATOM 0 HG23 THR A 146 13.124 -1.348 3.583 1.00 0.71 H new ATOM 2227 N ALA A 147 10.662 -4.698 6.568 1.00 0.77 N ATOM 2228 CA ALA A 147 10.496 -5.849 7.445 1.00 0.88 C ATOM 2229 C ALA A 147 9.593 -6.910 6.819 1.00 0.94 C ATOM 2230 O ALA A 147 8.677 -6.585 6.057 1.00 0.91 O ATOM 2231 CB ALA A 147 9.944 -5.416 8.795 1.00 0.90 C ATOM 0 H ALA A 147 9.979 -3.957 6.723 1.00 0.77 H new ATOM 0 HA ALA A 147 11.480 -6.294 7.591 1.00 0.88 H new ATOM 0 HB1 ALA A 147 9.827 -6.289 9.437 1.00 0.90 H new ATOM 0 HB2 ALA A 147 10.634 -4.713 9.261 1.00 0.90 H new ATOM 0 HB3 ALA A 147 8.976 -4.936 8.655 1.00 0.90 H new ATOM 2237 N LYS A 148 9.864 -8.176 7.151 1.00 1.08 N ATOM 2238 CA LYS A 148 9.090 -9.305 6.631 1.00 1.19 C ATOM 2239 C LYS A 148 8.064 -9.781 7.660 1.00 1.63 C ATOM 2240 O LYS A 148 6.855 -9.732 7.351 1.00 2.21 O ATOM 2241 CB LYS A 148 10.021 -10.464 6.234 1.00 1.53 C ATOM 2242 CG LYS A 148 10.852 -10.202 4.979 1.00 2.17 C ATOM 2243 CD LYS A 148 12.147 -9.465 5.298 1.00 2.29 C ATOM 2244 CE LYS A 148 12.964 -9.207 4.042 1.00 3.11 C ATOM 2245 NZ LYS A 148 14.235 -8.490 4.344 1.00 3.56 N ATOM 2246 OXT LYS A 148 8.476 -10.186 8.769 1.00 2.14 O ATOM 0 H LYS A 148 10.619 -8.445 7.782 1.00 1.08 H new ATOM 0 HA LYS A 148 8.556 -8.967 5.743 1.00 1.19 H new ATOM 0 HB2 LYS A 148 10.695 -10.674 7.065 1.00 1.53 H new ATOM 0 HB3 LYS A 148 9.420 -11.360 6.077 1.00 1.53 H new ATOM 0 HG2 LYS A 148 11.084 -11.150 4.493 1.00 2.17 H new ATOM 0 HG3 LYS A 148 10.266 -9.616 4.271 1.00 2.17 H new ATOM 0 HD2 LYS A 148 11.917 -8.517 5.785 1.00 2.29 H new ATOM 0 HD3 LYS A 148 12.737 -10.051 6.003 1.00 2.29 H new ATOM 0 HE2 LYS A 148 13.189 -10.155 3.554 1.00 3.11 H new ATOM 0 HE3 LYS A 148 12.374 -8.619 3.339 1.00 3.11 H new ATOM 0 HZ1 LYS A 148 14.763 -8.333 3.462 1.00 3.56 H new ATOM 0 HZ2 LYS A 148 14.020 -7.574 4.787 1.00 3.56 H new ATOM 0 HZ3 LYS A 148 14.810 -9.062 4.995 1.00 3.56 H new ATOM 2490 N LYS B 516 0.658 -0.874 7.250 1.00 0.00 N ATOM 2491 CA LYS B 516 0.665 -2.081 6.413 1.00 0.00 C ATOM 2492 C LYS B 516 -0.726 -2.629 6.062 1.00 0.00 C ATOM 2493 O LYS B 516 -1.351 -3.342 6.848 1.00 0.00 O ATOM 2494 CB LYS B 516 1.534 -3.187 7.051 1.00 0.00 C ATOM 2495 CG LYS B 516 1.304 -3.418 8.542 1.00 0.00 C ATOM 2496 CD LYS B 516 2.186 -4.538 9.071 1.00 0.00 C ATOM 2497 CE LYS B 516 2.273 -4.511 10.588 1.00 0.00 C ATOM 2498 NZ LYS B 516 3.102 -5.629 11.117 1.00 0.00 N ATOM 0 HA LYS B 516 1.102 -1.766 5.466 1.00 0.00 H new ATOM 0 HB2 LYS B 516 1.349 -4.122 6.522 1.00 0.00 H new ATOM 0 HB3 LYS B 516 2.583 -2.936 6.897 1.00 0.00 H new ATOM 0 HG2 LYS B 516 1.511 -2.499 9.091 1.00 0.00 H new ATOM 0 HG3 LYS B 516 0.257 -3.664 8.717 1.00 0.00 H new ATOM 0 HD2 LYS B 516 1.789 -5.499 8.746 1.00 0.00 H new ATOM 0 HD3 LYS B 516 3.186 -4.446 8.647 1.00 0.00 H new ATOM 0 HE2 LYS B 516 2.698 -3.560 10.910 1.00 0.00 H new ATOM 0 HE3 LYS B 516 1.270 -4.572 11.010 1.00 0.00 H new ATOM 0 HZ1 LYS B 516 3.136 -5.575 12.155 1.00 0.00 H new ATOM 0 HZ2 LYS B 516 2.683 -6.537 10.831 1.00 0.00 H new ATOM 0 HZ3 LYS B 516 4.066 -5.557 10.735 1.00 0.00 H new ATOM 2512 N VAL B 517 -1.155 -2.251 4.846 1.00 0.00 N ATOM 2513 CA VAL B 517 -2.423 -2.635 4.162 1.00 0.00 C ATOM 2514 C VAL B 517 -2.799 -1.530 3.214 1.00 0.00 C ATOM 2515 O VAL B 517 -2.999 -1.747 2.019 1.00 0.00 O ATOM 2516 CB VAL B 517 -3.659 -3.040 5.027 1.00 0.00 C ATOM 2517 CG1 VAL B 517 -3.532 -4.482 5.463 1.00 0.00 C ATOM 2518 CG2 VAL B 517 -3.908 -2.134 6.225 1.00 0.00 C ATOM 0 H VAL B 517 -0.594 -1.626 4.267 1.00 0.00 H new ATOM 0 HA VAL B 517 -2.178 -3.577 3.671 1.00 0.00 H new ATOM 0 HB VAL B 517 -4.533 -2.918 4.387 1.00 0.00 H new ATOM 0 HG11 VAL B 517 -4.397 -4.757 6.066 1.00 0.00 H new ATOM 0 HG12 VAL B 517 -3.483 -5.125 4.584 1.00 0.00 H new ATOM 0 HG13 VAL B 517 -2.624 -4.605 6.054 1.00 0.00 H new ATOM 0 HG21 VAL B 517 -4.784 -2.485 6.771 1.00 0.00 H new ATOM 0 HG22 VAL B 517 -3.039 -2.153 6.882 1.00 0.00 H new ATOM 0 HG23 VAL B 517 -4.080 -1.114 5.880 1.00 0.00 H new ATOM 2528 N LEU B 518 -2.898 -0.346 3.778 1.00 0.00 N ATOM 2529 CA LEU B 518 -3.143 0.868 3.039 1.00 0.00 C ATOM 2530 C LEU B 518 -1.880 1.265 2.242 1.00 0.00 C ATOM 2531 O LEU B 518 -1.895 2.228 1.468 1.00 0.00 O ATOM 2532 CB LEU B 518 -3.462 1.983 4.039 1.00 0.00 C ATOM 2533 CG LEU B 518 -4.805 1.915 4.813 1.00 0.00 C ATOM 2534 CD1 LEU B 518 -5.917 1.249 4.014 1.00 0.00 C ATOM 2535 CD2 LEU B 518 -4.620 1.206 6.142 1.00 0.00 C ATOM 0 H LEU B 518 -2.808 -0.200 4.784 1.00 0.00 H new ATOM 0 HA LEU B 518 -3.972 0.716 2.348 1.00 0.00 H new ATOM 0 HB2 LEU B 518 -2.657 2.012 4.773 1.00 0.00 H new ATOM 0 HB3 LEU B 518 -3.436 2.930 3.500 1.00 0.00 H new ATOM 0 HG LEU B 518 -5.113 2.946 4.990 1.00 0.00 H new ATOM 0 HD11 LEU B 518 -6.831 1.231 4.608 1.00 0.00 H new ATOM 0 HD12 LEU B 518 -6.092 1.810 3.096 1.00 0.00 H new ATOM 0 HD13 LEU B 518 -5.626 0.228 3.766 1.00 0.00 H new ATOM 0 HD21 LEU B 518 -5.573 1.168 6.670 1.00 0.00 H new ATOM 0 HD22 LEU B 518 -4.262 0.192 5.966 1.00 0.00 H new ATOM 0 HD23 LEU B 518 -3.892 1.748 6.745 1.00 0.00 H new ATOM 2547 N VAL B 519 -0.791 0.491 2.452 1.00 0.00 N ATOM 2548 CA VAL B 519 0.505 0.731 1.828 1.00 0.00 C ATOM 2549 C VAL B 519 1.052 -0.571 1.287 1.00 0.00 C ATOM 2550 O VAL B 519 1.571 -0.609 0.174 1.00 0.00 O ATOM 2551 CB VAL B 519 1.524 1.355 2.831 1.00 0.00 C ATOM 2552 CG1 VAL B 519 2.806 1.788 2.131 1.00 0.00 C ATOM 2553 CG2 VAL B 519 0.921 2.550 3.531 1.00 0.00 C ATOM 0 H VAL B 519 -0.800 -0.322 3.067 1.00 0.00 H new ATOM 0 HA VAL B 519 0.361 1.444 1.016 1.00 0.00 H new ATOM 0 HB VAL B 519 1.765 0.583 3.562 1.00 0.00 H new ATOM 0 HG11 VAL B 519 3.492 2.218 2.861 1.00 0.00 H new ATOM 0 HG12 VAL B 519 3.273 0.923 1.660 1.00 0.00 H new ATOM 0 HG13 VAL B 519 2.572 2.533 1.371 1.00 0.00 H new ATOM 0 HG21 VAL B 519 1.648 2.970 4.226 1.00 0.00 H new ATOM 0 HG22 VAL B 519 0.647 3.304 2.793 1.00 0.00 H new ATOM 0 HG23 VAL B 519 0.032 2.240 4.080 1.00 0.00 H new ATOM 2563 N LYS B 520 0.943 -1.635 2.091 1.00 0.00 N ATOM 2564 CA LYS B 520 1.397 -2.950 1.691 1.00 0.00 C ATOM 2565 C LYS B 520 0.666 -3.455 0.460 1.00 0.00 C ATOM 2566 O LYS B 520 1.210 -4.239 -0.324 1.00 0.00 O ATOM 2567 CB LYS B 520 1.219 -3.931 2.831 1.00 0.00 C ATOM 2568 CG LYS B 520 2.497 -4.693 3.131 1.00 0.00 C ATOM 2569 CD LYS B 520 3.123 -5.314 1.867 1.00 0.00 C ATOM 2570 CE LYS B 520 4.565 -5.745 2.100 1.00 0.00 C ATOM 2571 NZ LYS B 520 4.659 -6.952 2.970 1.00 0.00 N ATOM 0 H LYS B 520 0.540 -1.599 3.027 1.00 0.00 H new ATOM 0 HA LYS B 520 2.454 -2.867 1.438 1.00 0.00 H new ATOM 0 HB2 LYS B 520 0.899 -3.394 3.724 1.00 0.00 H new ATOM 0 HB3 LYS B 520 0.426 -4.637 2.582 1.00 0.00 H new ATOM 0 HG2 LYS B 520 3.217 -4.020 3.596 1.00 0.00 H new ATOM 0 HG3 LYS B 520 2.285 -5.482 3.853 1.00 0.00 H new ATOM 0 HD2 LYS B 520 2.533 -6.176 1.555 1.00 0.00 H new ATOM 0 HD3 LYS B 520 3.087 -4.591 1.052 1.00 0.00 H new ATOM 0 HE2 LYS B 520 5.040 -5.953 1.141 1.00 0.00 H new ATOM 0 HE3 LYS B 520 5.118 -4.925 2.558 1.00 0.00 H new ATOM 0 HZ1 LYS B 520 5.207 -6.723 3.823 1.00 0.00 H new ATOM 0 HZ2 LYS B 520 3.703 -7.258 3.244 1.00 0.00 H new ATOM 0 HZ3 LYS B 520 5.132 -7.719 2.450 1.00 0.00 H new ATOM 2585 N ALA B 521 -0.571 -2.992 0.309 1.00 0.00 N ATOM 2586 CA ALA B 521 -1.390 -3.333 -0.835 1.00 0.00 C ATOM 2587 C ALA B 521 -1.187 -2.280 -1.924 1.00 0.00 C ATOM 2588 O ALA B 521 -2.012 -2.087 -2.825 1.00 0.00 O ATOM 2589 CB ALA B 521 -2.827 -3.423 -0.404 1.00 0.00 C ATOM 0 H ALA B 521 -1.027 -2.372 0.978 1.00 0.00 H new ATOM 0 HA ALA B 521 -1.101 -4.302 -1.243 1.00 0.00 H new ATOM 0 HB1 ALA B 521 -3.449 -3.680 -1.262 1.00 0.00 H new ATOM 0 HB2 ALA B 521 -2.930 -4.192 0.362 1.00 0.00 H new ATOM 0 HB3 ALA B 521 -3.146 -2.463 0.001 1.00 0.00 H new ATOM 2595 N VAL B 522 -0.029 -1.635 -1.807 1.00 0.00 N ATOM 2596 CA VAL B 522 0.410 -0.565 -2.680 1.00 0.00 C ATOM 2597 C VAL B 522 1.924 -0.663 -2.923 1.00 0.00 C ATOM 2598 O VAL B 522 2.421 -0.086 -3.895 1.00 0.00 O ATOM 2599 CB VAL B 522 0.070 0.867 -2.150 1.00 0.00 C ATOM 2600 CG1 VAL B 522 -0.226 1.805 -3.316 1.00 0.00 C ATOM 2601 CG2 VAL B 522 -1.106 0.874 -1.175 1.00 0.00 C ATOM 0 H VAL B 522 0.647 -1.855 -1.076 1.00 0.00 H new ATOM 0 HA VAL B 522 -0.142 -0.699 -3.610 1.00 0.00 H new ATOM 0 HB VAL B 522 0.947 1.215 -1.604 1.00 0.00 H new ATOM 0 HG11 VAL B 522 -0.461 2.798 -2.933 1.00 0.00 H new ATOM 0 HG12 VAL B 522 0.647 1.864 -3.966 1.00 0.00 H new ATOM 0 HG13 VAL B 522 -1.076 1.424 -3.883 1.00 0.00 H new ATOM 0 HG21 VAL B 522 -1.296 1.894 -0.841 1.00 0.00 H new ATOM 0 HG22 VAL B 522 -1.994 0.484 -1.673 1.00 0.00 H new ATOM 0 HG23 VAL B 522 -0.869 0.249 -0.314 1.00 0.00 H new ATOM 2611 N LEU B 523 2.669 -1.393 -2.043 1.00 0.00 N ATOM 2612 CA LEU B 523 4.107 -1.568 -2.226 1.00 0.00 C ATOM 2613 C LEU B 523 4.340 -2.730 -3.184 1.00 0.00 C ATOM 2614 O LEU B 523 5.476 -3.050 -3.551 1.00 0.00 O ATOM 2615 CB LEU B 523 4.801 -1.793 -0.878 1.00 0.00 C ATOM 2616 CG LEU B 523 4.917 -0.536 -0.003 1.00 0.00 C ATOM 2617 CD1 LEU B 523 4.885 -0.901 1.472 1.00 0.00 C ATOM 2618 CD2 LEU B 523 6.170 0.272 -0.337 1.00 0.00 C ATOM 0 H LEU B 523 2.288 -1.856 -1.218 1.00 0.00 H new ATOM 0 HA LEU B 523 4.541 -0.665 -2.656 1.00 0.00 H new ATOM 0 HB2 LEU B 523 4.253 -2.556 -0.325 1.00 0.00 H new ATOM 0 HB3 LEU B 523 5.801 -2.187 -1.060 1.00 0.00 H new ATOM 0 HG LEU B 523 4.055 0.095 -0.220 1.00 0.00 H new ATOM 0 HD11 LEU B 523 4.969 0.005 2.073 1.00 0.00 H new ATOM 0 HD12 LEU B 523 3.946 -1.404 1.702 1.00 0.00 H new ATOM 0 HD13 LEU B 523 5.718 -1.566 1.700 1.00 0.00 H new ATOM 0 HD21 LEU B 523 6.216 1.153 0.303 1.00 0.00 H new ATOM 0 HD22 LEU B 523 7.054 -0.343 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU B 523 6.135 0.583 -1.381 1.00 0.00 H new ATOM 2630 N PHE B 524 3.219 -3.353 -3.569 1.00 0.00 N ATOM 2631 CA PHE B 524 3.204 -4.443 -4.526 1.00 0.00 C ATOM 2632 C PHE B 524 3.027 -3.892 -5.954 1.00 0.00 C ATOM 2633 O PHE B 524 3.516 -4.478 -6.924 1.00 0.00 O ATOM 2634 CB PHE B 524 2.095 -5.446 -4.156 1.00 0.00 C ATOM 2635 CG PHE B 524 0.786 -5.219 -4.852 1.00 0.00 C ATOM 2636 CD1 PHE B 524 0.521 -5.868 -6.035 1.00 0.00 C ATOM 2637 CD2 PHE B 524 -0.157 -4.361 -4.328 1.00 0.00 C ATOM 2638 CE1 PHE B 524 -0.675 -5.670 -6.699 1.00 0.00 C ATOM 2639 CE2 PHE B 524 -1.357 -4.152 -4.980 1.00 0.00 C ATOM 2640 CZ PHE B 524 -1.617 -4.809 -6.169 1.00 0.00 C ATOM 0 H PHE B 524 2.294 -3.105 -3.216 1.00 0.00 H new ATOM 0 HA PHE B 524 4.157 -4.972 -4.495 1.00 0.00 H new ATOM 0 HB2 PHE B 524 2.443 -6.453 -4.386 1.00 0.00 H new ATOM 0 HB3 PHE B 524 1.930 -5.404 -3.079 1.00 0.00 H new ATOM 0 HD1 PHE B 524 1.257 -6.541 -6.450 1.00 0.00 H new ATOM 0 HD2 PHE B 524 0.044 -3.847 -3.399 1.00 0.00 H new ATOM 0 HE1 PHE B 524 -0.872 -6.186 -7.627 1.00 0.00 H new ATOM 0 HE2 PHE B 524 -2.090 -3.478 -4.562 1.00 0.00 H new ATOM 0 HZ PHE B 524 -2.554 -4.650 -6.682 1.00 0.00 H new ATOM 2650 N ALA B 525 2.320 -2.755 -6.047 1.00 0.00 N ATOM 2651 CA ALA B 525 2.027 -2.098 -7.323 1.00 0.00 C ATOM 2652 C ALA B 525 3.011 -0.962 -7.652 1.00 0.00 C ATOM 2653 O ALA B 525 2.922 -0.360 -8.728 1.00 0.00 O ATOM 2654 CB ALA B 525 0.599 -1.567 -7.297 1.00 0.00 C ATOM 0 H ALA B 525 1.937 -2.268 -5.237 1.00 0.00 H new ATOM 0 HA ALA B 525 2.141 -2.843 -8.110 1.00 0.00 H new ATOM 0 HB1 ALA B 525 0.376 -1.077 -8.245 1.00 0.00 H new ATOM 0 HB2 ALA B 525 -0.094 -2.394 -7.144 1.00 0.00 H new ATOM 0 HB3 ALA B 525 0.492 -0.849 -6.483 1.00 0.00 H new ATOM 2660 N CYS B 526 3.954 -0.679 -6.736 1.00 0.00 N ATOM 2661 CA CYS B 526 4.949 0.390 -6.941 1.00 0.00 C ATOM 2662 C CYS B 526 6.115 -0.064 -7.843 1.00 0.00 C ATOM 2663 O CYS B 526 7.084 0.682 -8.036 1.00 0.00 O ATOM 2664 CB CYS B 526 5.495 0.881 -5.589 1.00 0.00 C ATOM 2665 SG CYS B 526 6.142 -0.431 -4.537 1.00 0.00 S ATOM 0 H CYS B 526 4.048 -1.174 -5.849 1.00 0.00 H new ATOM 0 HA CYS B 526 4.439 1.209 -7.448 1.00 0.00 H new ATOM 0 HB2 CYS B 526 6.285 1.609 -5.771 1.00 0.00 H new ATOM 0 HB3 CYS B 526 4.700 1.401 -5.055 1.00 0.00 H new ATOM 0 HG CYS B 526 6.496 -1.443 -5.273 1.00 0.00 H new ATOM 2671 N MET B 527 6.007 -1.278 -8.407 1.00 0.00 N ATOM 2672 CA MET B 527 7.053 -1.825 -9.282 1.00 0.00 C ATOM 2673 C MET B 527 6.535 -2.126 -10.697 1.00 0.00 C ATOM 2674 O MET B 527 7.332 -2.418 -11.596 1.00 0.00 O ATOM 2675 CB MET B 527 7.662 -3.095 -8.669 1.00 0.00 C ATOM 2676 CG MET B 527 8.501 -2.839 -7.423 1.00 0.00 C ATOM 2677 SD MET B 527 7.527 -2.915 -5.908 1.00 0.00 S ATOM 2678 CE MET B 527 8.730 -2.363 -4.701 1.00 0.00 C ATOM 0 H MET B 527 5.207 -1.897 -8.272 1.00 0.00 H new ATOM 0 HA MET B 527 7.823 -1.058 -9.369 1.00 0.00 H new ATOM 0 HB2 MET B 527 6.858 -3.787 -8.418 1.00 0.00 H new ATOM 0 HB3 MET B 527 8.283 -3.586 -9.418 1.00 0.00 H new ATOM 0 HG2 MET B 527 9.304 -3.574 -7.372 1.00 0.00 H new ATOM 0 HG3 MET B 527 8.971 -1.859 -7.500 1.00 0.00 H new ATOM 0 HE1 MET B 527 8.468 -2.757 -3.719 1.00 0.00 H new ATOM 0 HE2 MET B 527 9.720 -2.722 -4.983 1.00 0.00 H new ATOM 0 HE3 MET B 527 8.736 -1.274 -4.665 1.00 0.00 H new ATOM 2688 N LEU B 528 5.203 -2.054 -10.894 1.00 0.00 N ATOM 2689 CA LEU B 528 4.566 -2.314 -12.201 1.00 0.00 C ATOM 2690 C LEU B 528 5.139 -1.451 -13.337 1.00 0.00 C ATOM 2691 O LEU B 528 5.184 -1.889 -14.490 1.00 0.00 O ATOM 2692 CB LEU B 528 3.054 -2.087 -12.110 1.00 0.00 C ATOM 2693 CG LEU B 528 2.335 -2.960 -11.082 1.00 0.00 C ATOM 2694 CD1 LEU B 528 1.014 -2.331 -10.673 1.00 0.00 C ATOM 2695 CD2 LEU B 528 2.112 -4.365 -11.619 1.00 0.00 C ATOM 0 H LEU B 528 4.541 -1.815 -10.155 1.00 0.00 H new ATOM 0 HA LEU B 528 4.781 -3.355 -12.442 1.00 0.00 H new ATOM 0 HB2 LEU B 528 2.872 -1.040 -11.867 1.00 0.00 H new ATOM 0 HB3 LEU B 528 2.614 -2.268 -13.091 1.00 0.00 H new ATOM 0 HG LEU B 528 2.971 -3.031 -10.200 1.00 0.00 H new ATOM 0 HD11 LEU B 528 0.519 -2.969 -9.941 1.00 0.00 H new ATOM 0 HD12 LEU B 528 1.198 -1.350 -10.234 1.00 0.00 H new ATOM 0 HD13 LEU B 528 0.376 -2.222 -11.550 1.00 0.00 H new ATOM 0 HD21 LEU B 528 1.599 -4.965 -10.867 1.00 0.00 H new ATOM 0 HD22 LEU B 528 1.504 -4.317 -12.522 1.00 0.00 H new ATOM 0 HD23 LEU B 528 3.074 -4.822 -11.853 1.00 0.00 H new ATOM 2707 N MET B 529 5.571 -0.229 -12.994 1.00 0.00 N ATOM 2708 CA MET B 529 6.143 0.710 -13.973 1.00 0.00 C ATOM 2709 C MET B 529 7.649 0.471 -14.195 1.00 0.00 C ATOM 2710 O MET B 529 8.240 1.037 -15.121 1.00 0.00 O ATOM 2711 CB MET B 529 5.883 2.174 -13.551 1.00 0.00 C ATOM 2712 CG MET B 529 6.271 2.512 -12.113 1.00 0.00 C ATOM 2713 SD MET B 529 5.945 4.234 -11.690 1.00 0.00 S ATOM 2714 CE MET B 529 6.501 4.277 -9.988 1.00 0.00 C ATOM 0 H MET B 529 5.535 0.135 -12.042 1.00 0.00 H new ATOM 0 HA MET B 529 5.640 0.526 -14.922 1.00 0.00 H new ATOM 0 HB2 MET B 529 6.432 2.833 -14.224 1.00 0.00 H new ATOM 0 HB3 MET B 529 4.824 2.392 -13.686 1.00 0.00 H new ATOM 0 HG2 MET B 529 5.720 1.864 -11.431 1.00 0.00 H new ATOM 0 HG3 MET B 529 7.330 2.301 -11.968 1.00 0.00 H new ATOM 0 HE1 MET B 529 6.363 5.280 -9.585 1.00 0.00 H new ATOM 0 HE2 MET B 529 5.922 3.567 -9.398 1.00 0.00 H new ATOM 0 HE3 MET B 529 7.557 4.010 -9.943 1.00 0.00 H new ATOM 2724 N ARG B 530 8.251 -0.371 -13.344 1.00 0.00 N ATOM 2725 CA ARG B 530 9.678 -0.694 -13.437 1.00 0.00 C ATOM 2726 C ARG B 530 9.905 -1.989 -14.221 1.00 0.00 C ATOM 2727 O ARG B 530 10.820 -2.066 -15.046 1.00 0.00 O ATOM 2728 CB ARG B 530 10.295 -0.814 -12.034 1.00 0.00 C ATOM 2729 CG ARG B 530 10.485 0.524 -11.316 1.00 0.00 C ATOM 2730 CD ARG B 530 11.799 1.206 -11.692 1.00 0.00 C ATOM 2731 NE ARG B 530 11.793 1.711 -13.072 1.00 0.00 N ATOM 2732 CZ ARG B 530 12.872 2.175 -13.720 1.00 0.00 C ATOM 2733 NH1 ARG B 530 14.067 2.209 -13.133 1.00 0.00 N ATOM 2734 NH2 ARG B 530 12.750 2.607 -14.968 1.00 0.00 N ATOM 0 H ARG B 530 7.767 -0.842 -12.580 1.00 0.00 H new ATOM 0 HA ARG B 530 10.168 0.119 -13.973 1.00 0.00 H new ATOM 0 HB2 ARG B 530 9.659 -1.454 -11.423 1.00 0.00 H new ATOM 0 HB3 ARG B 530 11.262 -1.310 -12.116 1.00 0.00 H new ATOM 0 HG2 ARG B 530 9.653 1.185 -11.559 1.00 0.00 H new ATOM 0 HG3 ARG B 530 10.458 0.362 -10.238 1.00 0.00 H new ATOM 0 HD2 ARG B 530 11.985 2.033 -11.006 1.00 0.00 H new ATOM 0 HD3 ARG B 530 12.620 0.499 -11.570 1.00 0.00 H new ATOM 0 HE ARG B 530 10.905 1.709 -13.573 1.00 0.00 H new ATOM 0 HH11 ARG B 530 14.174 1.879 -12.174 1.00 0.00 H new ATOM 0 HH12 ARG B 530 14.876 2.565 -13.643 1.00 0.00 H new ATOM 0 HH21 ARG B 530 11.840 2.585 -15.429 1.00 0.00 H new ATOM 0 HH22 ARG B 530 13.566 2.961 -15.467 1.00 0.00 H new