USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 760 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 46 SER OG : rot 77:sc= 0.907 USER MOD Set 1.2: A 64 HIS : no HD1:sc= -1.21 K(o=-0.3,f=-3!) USER MOD Set 2.1: A 10 HIS : no HD1:sc= -0.721 K(o=-1.5,f=-7.8!) USER MOD Set 2.2: A 13 MET CE :methyl 168:sc= -0.761 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.387 X(o=-0.39,f=-0.011) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.7!) USER MOD Single : A 20 THR OG1 : rot 94:sc= 0.537 USER MOD Single : A 23 GLN : amide:sc= -2.51 X(o=-2.5,f=-3) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 78:sc= 0.438 USER MOD Single : A 36 SER OG : rot -170:sc= -0.122 USER MOD Single : A 49 SER OG : rot -73:sc= 1.11 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=0.54) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -25:sc= 0.361 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 148:sc= -0.492 (180deg=-0.521) USER MOD Single : A 69 CYS SG : rot 42:sc= 0.163 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -131:sc= 1.27 USER MOD Single : A 81 THR OG1 : rot 49:sc= 0.183 USER MOD Single : A 84 SER OG : rot 9:sc= 1.19 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -61:sc= 0.965 USER MOD Single : A 101 SER OG : rot 180:sc= -0.0387 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -3.64! C(o=-3.6!,f=-4.3!) USER MOD Single : A 111 TYR OH : rot 40:sc= 0.0136 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : B 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N TRP A 8 3.148 -6.075 -9.799 1.00 0.00 N ATOM 67 CA TRP A 8 3.353 -5.052 -8.779 1.00 0.00 C ATOM 68 C TRP A 8 3.857 -5.670 -7.481 1.00 0.00 C ATOM 69 O TRP A 8 4.044 -4.973 -6.482 1.00 0.00 O ATOM 70 CB TRP A 8 2.052 -4.289 -8.525 1.00 0.00 C ATOM 71 CG TRP A 8 0.824 -5.112 -8.770 1.00 0.00 C ATOM 72 CD1 TRP A 8 -0.020 -5.025 -9.841 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.301 -6.144 -7.927 1.00 0.00 C ATOM 74 NE1 TRP A 8 -1.036 -5.941 -9.714 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.861 -6.641 -8.549 1.00 0.00 C ATOM 76 CE3 TRP A 8 0.702 -6.698 -6.709 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -1.624 -7.663 -7.990 1.00 0.00 C ATOM 78 CZ3 TRP A 8 -0.057 -7.712 -6.156 1.00 0.00 C ATOM 79 CH2 TRP A 8 -1.208 -8.186 -6.797 1.00 0.00 C ATOM 0 HA TRP A 8 4.109 -4.356 -9.144 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.043 -3.933 -7.495 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.024 -3.408 -9.166 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.095 -4.337 -10.666 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.797 -6.078 -10.379 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.590 -6.340 -6.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -2.513 -8.030 -8.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.243 -8.146 -5.214 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.779 -8.981 -6.340 1.00 0.00 H new ATOM 90 N TYR A 9 4.076 -6.981 -7.499 1.00 0.00 N ATOM 91 CA TYR A 9 4.555 -7.692 -6.321 1.00 0.00 C ATOM 92 C TYR A 9 6.051 -7.465 -6.119 1.00 0.00 C ATOM 93 O TYR A 9 6.847 -7.642 -7.042 1.00 0.00 O ATOM 94 CB TYR A 9 4.268 -9.189 -6.451 1.00 0.00 C ATOM 95 CG TYR A 9 4.448 -9.955 -5.160 1.00 0.00 C ATOM 96 CD1 TYR A 9 3.688 -9.650 -4.038 1.00 0.00 C ATOM 97 CD2 TYR A 9 5.377 -10.982 -5.062 1.00 0.00 C ATOM 98 CE1 TYR A 9 3.849 -10.347 -2.856 1.00 0.00 C ATOM 99 CE2 TYR A 9 5.545 -11.686 -3.885 1.00 0.00 C ATOM 100 CZ TYR A 9 4.778 -11.364 -2.784 1.00 0.00 C ATOM 101 OH TYR A 9 4.942 -12.060 -1.610 1.00 0.00 O ATOM 0 H TYR A 9 3.929 -7.572 -8.317 1.00 0.00 H new ATOM 0 HA TYR A 9 4.026 -7.302 -5.452 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.246 -9.325 -6.805 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.927 -9.612 -7.209 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.959 -8.855 -4.090 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.980 -11.235 -5.922 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.250 -10.097 -1.993 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.272 -12.483 -3.827 1.00 0.00 H new ATOM 0 HH TYR A 9 5.635 -12.743 -1.729 1.00 0.00 H new ATOM 111 N HIS A 10 6.424 -7.074 -4.905 1.00 0.00 N ATOM 112 CA HIS A 10 7.824 -6.823 -4.580 1.00 0.00 C ATOM 113 C HIS A 10 8.472 -8.066 -3.974 1.00 0.00 C ATOM 114 O HIS A 10 9.245 -8.759 -4.634 1.00 0.00 O ATOM 115 CB HIS A 10 7.942 -5.648 -3.609 1.00 0.00 C ATOM 116 CG HIS A 10 7.878 -4.310 -4.278 1.00 0.00 C ATOM 117 ND1 HIS A 10 8.948 -3.442 -4.328 1.00 0.00 N ATOM 118 CD2 HIS A 10 6.865 -3.694 -4.931 1.00 0.00 C ATOM 119 CE1 HIS A 10 8.595 -2.347 -4.979 1.00 0.00 C ATOM 120 NE2 HIS A 10 7.335 -2.477 -5.356 1.00 0.00 N ATOM 0 H HIS A 10 5.777 -6.924 -4.130 1.00 0.00 H new ATOM 0 HA HIS A 10 8.347 -6.575 -5.504 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.142 -5.715 -2.872 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.884 -5.729 -3.066 1.00 0.00 H new ATOM 0 HD2 HIS A 10 5.872 -4.087 -5.088 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.228 -1.493 -5.170 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.799 -1.784 -5.879 1.00 0.00 H new ATOM 129 N GLY A 11 8.150 -8.341 -2.714 1.00 0.00 N ATOM 130 CA GLY A 11 8.709 -9.498 -2.041 1.00 0.00 C ATOM 131 C GLY A 11 9.214 -9.172 -0.649 1.00 0.00 C ATOM 132 O GLY A 11 8.616 -9.580 0.347 1.00 0.00 O ATOM 0 H GLY A 11 7.512 -7.783 -2.147 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.950 -10.278 -1.975 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.529 -9.900 -2.637 1.00 0.00 H new ATOM 136 N HIS A 12 10.318 -8.435 -0.579 1.00 0.00 N ATOM 137 CA HIS A 12 10.903 -8.056 0.702 1.00 0.00 C ATOM 138 C HIS A 12 11.221 -6.564 0.733 1.00 0.00 C ATOM 139 O HIS A 12 12.045 -6.079 -0.042 1.00 0.00 O ATOM 140 CB HIS A 12 12.173 -8.865 0.966 1.00 0.00 C ATOM 141 CG HIS A 12 12.620 -8.828 2.395 1.00 0.00 C ATOM 142 ND1 HIS A 12 12.912 -9.962 3.122 1.00 0.00 N ATOM 143 CD2 HIS A 12 12.827 -7.783 3.231 1.00 0.00 C ATOM 144 CE1 HIS A 12 13.277 -9.618 4.345 1.00 0.00 C ATOM 145 NE2 HIS A 12 13.234 -8.301 4.436 1.00 0.00 N ATOM 0 H HIS A 12 10.825 -8.089 -1.394 1.00 0.00 H new ATOM 0 HA HIS A 12 10.175 -8.271 1.484 1.00 0.00 H new ATOM 0 HB2 HIS A 12 12.001 -9.901 0.674 1.00 0.00 H new ATOM 0 HB3 HIS A 12 12.975 -8.484 0.333 1.00 0.00 H new ATOM 0 HD2 HIS A 12 12.696 -6.737 2.994 1.00 0.00 H new ATOM 0 HE1 HIS A 12 13.562 -10.298 5.135 1.00 0.00 H new ATOM 0 HE2 HIS A 12 13.466 -7.757 5.267 1.00 0.00 H new ATOM 154 N MET A 13 10.561 -5.841 1.632 1.00 0.00 N ATOM 155 CA MET A 13 10.774 -4.404 1.763 1.00 0.00 C ATOM 156 C MET A 13 10.046 -3.857 2.986 1.00 0.00 C ATOM 157 O MET A 13 8.885 -4.185 3.228 1.00 0.00 O ATOM 158 CB MET A 13 10.298 -3.679 0.504 1.00 0.00 C ATOM 159 CG MET A 13 10.697 -2.214 0.458 1.00 0.00 C ATOM 160 SD MET A 13 10.889 -1.598 -1.225 1.00 0.00 S ATOM 161 CE MET A 13 9.184 -1.583 -1.777 1.00 0.00 C ATOM 0 H MET A 13 9.874 -6.226 2.280 1.00 0.00 H new ATOM 0 HA MET A 13 11.842 -4.230 1.890 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.704 -4.185 -0.372 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.212 -3.753 0.441 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.943 -1.620 0.974 1.00 0.00 H new ATOM 0 HG3 MET A 13 11.634 -2.080 0.999 1.00 0.00 H new ATOM 0 HE1 MET A 13 9.110 -1.031 -2.714 1.00 0.00 H new ATOM 0 HE2 MET A 13 8.842 -2.607 -1.930 1.00 0.00 H new ATOM 0 HE3 MET A 13 8.562 -1.102 -1.023 1.00 0.00 H new ATOM 171 N SER A 14 10.736 -3.020 3.755 1.00 0.00 N ATOM 172 CA SER A 14 10.155 -2.429 4.956 1.00 0.00 C ATOM 173 C SER A 14 9.545 -1.066 4.649 1.00 0.00 C ATOM 174 O SER A 14 10.017 -0.344 3.773 1.00 0.00 O ATOM 175 CB SER A 14 11.219 -2.291 6.047 1.00 0.00 C ATOM 176 OG SER A 14 12.157 -1.280 5.719 1.00 0.00 O ATOM 0 H SER A 14 11.698 -2.736 3.568 1.00 0.00 H new ATOM 0 HA SER A 14 9.364 -3.090 5.311 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.741 -2.054 6.998 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.735 -3.242 6.178 1.00 0.00 H new ATOM 0 HG SER A 14 12.825 -1.210 6.432 1.00 0.00 H new ATOM 182 N GLY A 15 8.489 -0.720 5.380 1.00 0.00 N ATOM 183 CA GLY A 15 7.828 0.556 5.172 1.00 0.00 C ATOM 184 C GLY A 15 8.810 1.704 5.055 1.00 0.00 C ATOM 185 O GLY A 15 8.546 2.688 4.365 1.00 0.00 O ATOM 0 H GLY A 15 8.080 -1.300 6.112 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.223 0.505 4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.146 0.748 6.000 1.00 0.00 H new ATOM 189 N GLY A 16 9.948 1.580 5.732 1.00 0.00 N ATOM 190 CA GLY A 16 10.955 2.625 5.689 1.00 0.00 C ATOM 191 C GLY A 16 11.539 2.809 4.303 1.00 0.00 C ATOM 192 O GLY A 16 11.863 3.927 3.903 1.00 0.00 O ATOM 0 H GLY A 16 10.190 0.775 6.309 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.514 3.565 6.022 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.755 2.383 6.388 1.00 0.00 H new ATOM 196 N GLN A 17 11.675 1.710 3.567 1.00 0.00 N ATOM 197 CA GLN A 17 12.227 1.756 2.219 1.00 0.00 C ATOM 198 C GLN A 17 11.145 2.092 1.199 1.00 0.00 C ATOM 199 O GLN A 17 11.421 2.687 0.158 1.00 0.00 O ATOM 200 CB GLN A 17 12.880 0.419 1.866 1.00 0.00 C ATOM 201 CG GLN A 17 13.626 0.437 0.541 1.00 0.00 C ATOM 202 CD GLN A 17 14.781 -0.544 0.508 1.00 0.00 C ATOM 203 OE1 GLN A 17 15.385 -0.844 1.539 1.00 0.00 O ATOM 204 NE2 GLN A 17 15.095 -1.050 -0.679 1.00 0.00 N ATOM 0 H GLN A 17 11.410 0.777 3.882 1.00 0.00 H new ATOM 0 HA GLN A 17 12.984 2.540 2.190 1.00 0.00 H new ATOM 0 HB2 GLN A 17 13.573 0.142 2.660 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.111 -0.353 1.830 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.932 0.202 -0.266 1.00 0.00 H new ATOM 0 HG3 GLN A 17 14.003 1.443 0.354 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.568 -0.773 -1.507 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.864 -1.715 -0.763 1.00 0.00 H new ATOM 213 N ALA A 18 9.910 1.706 1.505 1.00 0.00 N ATOM 214 CA ALA A 18 8.785 1.968 0.616 1.00 0.00 C ATOM 215 C ALA A 18 8.490 3.461 0.529 1.00 0.00 C ATOM 216 O ALA A 18 8.649 4.073 -0.527 1.00 0.00 O ATOM 217 CB ALA A 18 7.553 1.210 1.087 1.00 0.00 C ATOM 0 H ALA A 18 9.664 1.211 2.362 1.00 0.00 H new ATOM 0 HA ALA A 18 9.053 1.619 -0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.720 1.415 0.414 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.763 0.140 1.090 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.292 1.531 2.095 1.00 0.00 H new ATOM 223 N GLU A 19 8.059 4.041 1.644 1.00 0.00 N ATOM 224 CA GLU A 19 7.741 5.462 1.692 1.00 0.00 C ATOM 225 C GLU A 19 8.766 6.276 0.907 1.00 0.00 C ATOM 226 O GLU A 19 8.411 7.182 0.152 1.00 0.00 O ATOM 227 CB GLU A 19 7.690 5.949 3.142 1.00 0.00 C ATOM 228 CG GLU A 19 6.312 5.837 3.773 1.00 0.00 C ATOM 229 CD GLU A 19 6.124 6.790 4.937 1.00 0.00 C ATOM 230 OE1 GLU A 19 6.610 6.476 6.044 1.00 0.00 O ATOM 231 OE2 GLU A 19 5.493 7.849 4.742 1.00 0.00 O ATOM 0 H GLU A 19 7.922 3.548 2.526 1.00 0.00 H new ATOM 0 HA GLU A 19 6.762 5.604 1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.400 5.373 3.735 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.014 6.989 3.179 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.553 6.039 3.017 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.156 4.814 4.117 1.00 0.00 H new ATOM 238 N THR A 20 10.040 5.947 1.091 1.00 0.00 N ATOM 239 CA THR A 20 11.117 6.647 0.403 1.00 0.00 C ATOM 240 C THR A 20 11.069 6.391 -1.099 1.00 0.00 C ATOM 241 O THR A 20 11.143 7.322 -1.901 1.00 0.00 O ATOM 242 CB THR A 20 12.497 6.222 0.940 1.00 0.00 C ATOM 243 OG1 THR A 20 12.537 6.375 2.363 1.00 0.00 O ATOM 244 CG2 THR A 20 13.604 7.049 0.304 1.00 0.00 C ATOM 0 H THR A 20 10.352 5.200 1.711 1.00 0.00 H new ATOM 0 HA THR A 20 10.973 7.711 0.592 1.00 0.00 H new ATOM 0 HB THR A 20 12.655 5.175 0.683 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.301 5.525 2.790 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.569 6.731 0.699 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.589 6.907 -0.777 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.448 8.103 0.533 1.00 0.00 H new ATOM 252 N LEU A 21 10.943 5.122 -1.474 1.00 0.00 N ATOM 253 CA LEU A 21 10.883 4.742 -2.881 1.00 0.00 C ATOM 254 C LEU A 21 9.686 5.391 -3.570 1.00 0.00 C ATOM 255 O LEU A 21 9.841 6.124 -4.548 1.00 0.00 O ATOM 256 CB LEU A 21 10.801 3.222 -3.017 1.00 0.00 C ATOM 257 CG LEU A 21 12.128 2.467 -2.933 1.00 0.00 C ATOM 258 CD1 LEU A 21 11.906 0.973 -3.110 1.00 0.00 C ATOM 259 CD2 LEU A 21 13.106 2.990 -3.976 1.00 0.00 C ATOM 0 H LEU A 21 10.880 4.339 -0.823 1.00 0.00 H new ATOM 0 HA LEU A 21 11.793 5.095 -3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 21 10.141 2.843 -2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.333 2.988 -3.973 1.00 0.00 H new ATOM 0 HG LEU A 21 12.557 2.634 -1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.862 0.453 -3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 21 11.242 0.608 -2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.454 0.785 -4.084 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.045 2.441 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.684 2.853 -4.972 1.00 0.00 H new ATOM 0 HD23 LEU A 21 13.291 4.050 -3.802 1.00 0.00 H new ATOM 271 N LEU A 22 8.494 5.119 -3.053 1.00 0.00 N ATOM 272 CA LEU A 22 7.270 5.678 -3.615 1.00 0.00 C ATOM 273 C LEU A 22 7.406 7.181 -3.833 1.00 0.00 C ATOM 274 O LEU A 22 7.134 7.687 -4.921 1.00 0.00 O ATOM 275 CB LEU A 22 6.082 5.390 -2.694 1.00 0.00 C ATOM 276 CG LEU A 22 5.587 3.944 -2.668 1.00 0.00 C ATOM 277 CD1 LEU A 22 4.649 3.722 -1.493 1.00 0.00 C ATOM 278 CD2 LEU A 22 4.898 3.593 -3.978 1.00 0.00 C ATOM 0 H LEU A 22 8.349 4.514 -2.245 1.00 0.00 H new ATOM 0 HA LEU A 22 7.096 5.204 -4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.357 5.677 -1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.253 6.031 -2.993 1.00 0.00 H new ATOM 0 HG LEU A 22 6.448 3.287 -2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.307 2.687 -1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.176 3.932 -0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.790 4.388 -1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.552 2.560 -3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.046 4.256 -4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.601 3.711 -4.802 1.00 0.00 H new ATOM 290 N GLN A 23 7.833 7.888 -2.791 1.00 0.00 N ATOM 291 CA GLN A 23 8.008 9.333 -2.870 1.00 0.00 C ATOM 292 C GLN A 23 9.109 9.696 -3.861 1.00 0.00 C ATOM 293 O GLN A 23 9.050 10.736 -4.515 1.00 0.00 O ATOM 294 CB GLN A 23 8.340 9.904 -1.489 1.00 0.00 C ATOM 295 CG GLN A 23 7.213 9.752 -0.481 1.00 0.00 C ATOM 296 CD GLN A 23 7.681 9.934 0.949 1.00 0.00 C ATOM 297 OE1 GLN A 23 8.739 9.438 1.336 1.00 0.00 O ATOM 298 NE2 GLN A 23 6.893 10.647 1.744 1.00 0.00 N ATOM 0 H GLN A 23 8.064 7.484 -1.883 1.00 0.00 H new ATOM 0 HA GLN A 23 7.072 9.768 -3.220 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.230 9.407 -1.104 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.585 10.961 -1.591 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.434 10.482 -0.700 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.764 8.765 -0.590 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.024 11.040 1.382 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.156 10.802 2.717 1.00 0.00 H new ATOM 307 N ALA A 24 10.112 8.830 -3.966 1.00 0.00 N ATOM 308 CA ALA A 24 11.225 9.058 -4.878 1.00 0.00 C ATOM 309 C ALA A 24 10.732 9.261 -6.307 1.00 0.00 C ATOM 310 O ALA A 24 11.086 10.239 -6.965 1.00 0.00 O ATOM 311 CB ALA A 24 12.205 7.895 -4.816 1.00 0.00 C ATOM 0 H ALA A 24 10.176 7.964 -3.430 1.00 0.00 H new ATOM 0 HA ALA A 24 11.737 9.968 -4.566 1.00 0.00 H new ATOM 0 HB1 ALA A 24 13.032 8.079 -5.502 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.591 7.798 -3.801 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.695 6.974 -5.100 1.00 0.00 H new ATOM 317 N LYS A 25 9.912 8.329 -6.782 1.00 0.00 N ATOM 318 CA LYS A 25 9.368 8.404 -8.133 1.00 0.00 C ATOM 319 C LYS A 25 8.502 9.648 -8.303 1.00 0.00 C ATOM 320 O LYS A 25 8.584 10.340 -9.316 1.00 0.00 O ATOM 321 CB LYS A 25 8.546 7.151 -8.445 1.00 0.00 C ATOM 322 CG LYS A 25 8.404 6.871 -9.931 1.00 0.00 C ATOM 323 CD LYS A 25 8.092 5.408 -10.195 1.00 0.00 C ATOM 324 CE LYS A 25 7.717 5.172 -11.651 1.00 0.00 C ATOM 325 NZ LYS A 25 7.622 3.720 -11.970 1.00 0.00 N ATOM 0 H LYS A 25 9.610 7.512 -6.251 1.00 0.00 H new ATOM 0 HA LYS A 25 10.203 8.466 -8.831 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.013 6.291 -7.965 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.553 7.260 -8.008 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.611 7.494 -10.345 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.326 7.146 -10.444 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.958 4.798 -9.938 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.273 5.087 -9.551 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.763 5.654 -11.863 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.460 5.638 -12.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.365 3.600 -12.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.540 3.265 -11.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.895 3.280 -11.371 1.00 0.00 H new ATOM 339 N GLY A 26 7.673 9.927 -7.301 1.00 0.00 N ATOM 340 CA GLY A 26 6.805 11.090 -7.360 1.00 0.00 C ATOM 341 C GLY A 26 5.558 10.841 -8.186 1.00 0.00 C ATOM 342 O GLY A 26 5.064 11.744 -8.860 1.00 0.00 O ATOM 0 H GLY A 26 7.587 9.370 -6.451 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.516 11.376 -6.349 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.356 11.930 -7.783 1.00 0.00 H new ATOM 346 N GLU A 27 5.051 9.614 -8.134 1.00 0.00 N ATOM 347 CA GLU A 27 3.855 9.250 -8.886 1.00 0.00 C ATOM 348 C GLU A 27 2.662 9.060 -7.955 1.00 0.00 C ATOM 349 O GLU A 27 2.643 8.172 -7.103 1.00 0.00 O ATOM 350 CB GLU A 27 4.100 7.969 -9.687 1.00 0.00 C ATOM 351 CG GLU A 27 4.727 8.213 -11.049 1.00 0.00 C ATOM 352 CD GLU A 27 4.617 7.010 -11.966 1.00 0.00 C ATOM 353 OE1 GLU A 27 4.174 5.942 -11.492 1.00 0.00 O ATOM 354 OE2 GLU A 27 4.973 7.135 -13.156 1.00 0.00 O ATOM 0 H GLU A 27 5.449 8.856 -7.580 1.00 0.00 H new ATOM 0 HA GLU A 27 3.629 10.064 -9.575 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.748 7.309 -9.111 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.152 7.447 -9.821 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.243 9.069 -11.519 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.778 8.472 -10.920 1.00 0.00 H new ATOM 361 N PRO A 28 1.643 9.916 -8.118 1.00 0.00 N ATOM 362 CA PRO A 28 0.427 9.864 -7.301 1.00 0.00 C ATOM 363 C PRO A 28 -0.425 8.637 -7.607 1.00 0.00 C ATOM 364 O PRO A 28 -0.493 8.185 -8.751 1.00 0.00 O ATOM 365 CB PRO A 28 -0.318 11.142 -7.691 1.00 0.00 C ATOM 366 CG PRO A 28 0.167 11.459 -9.063 1.00 0.00 C ATOM 367 CD PRO A 28 1.597 11.000 -9.114 1.00 0.00 C ATOM 0 HA PRO A 28 0.654 9.795 -6.237 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.397 10.991 -7.678 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.101 11.954 -6.997 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.433 10.949 -9.816 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.093 12.527 -9.266 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.870 10.645 -10.108 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.287 11.806 -8.863 1.00 0.00 H new ATOM 375 N TRP A 29 -1.074 8.101 -6.578 1.00 0.00 N ATOM 376 CA TRP A 29 -1.922 6.925 -6.739 1.00 0.00 C ATOM 377 C TRP A 29 -1.087 5.692 -7.066 1.00 0.00 C ATOM 378 O TRP A 29 -1.541 4.793 -7.775 1.00 0.00 O ATOM 379 CB TRP A 29 -2.956 7.164 -7.841 1.00 0.00 C ATOM 380 CG TRP A 29 -3.721 8.442 -7.671 1.00 0.00 C ATOM 381 CD1 TRP A 29 -3.919 9.409 -8.614 1.00 0.00 C ATOM 382 CD2 TRP A 29 -4.389 8.890 -6.486 1.00 0.00 C ATOM 383 NE1 TRP A 29 -4.670 10.433 -8.086 1.00 0.00 N ATOM 384 CE2 TRP A 29 -4.971 10.138 -6.783 1.00 0.00 C ATOM 385 CE3 TRP A 29 -4.553 8.357 -5.204 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -5.702 10.859 -5.844 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -5.278 9.075 -4.273 1.00 0.00 C ATOM 388 CH2 TRP A 29 -5.847 10.315 -4.597 1.00 0.00 C ATOM 0 H TRP A 29 -1.029 8.462 -5.625 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.440 6.749 -5.796 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.451 7.177 -8.807 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.657 6.329 -7.859 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.542 9.375 -9.625 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.956 11.276 -8.584 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.121 7.401 -4.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.140 11.815 -6.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.409 8.675 -3.279 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.411 10.851 -3.848 1.00 0.00 H new ATOM 399 N THR A 30 0.135 5.655 -6.546 1.00 0.00 N ATOM 400 CA THR A 30 1.034 4.532 -6.784 1.00 0.00 C ATOM 401 C THR A 30 0.991 3.540 -5.628 1.00 0.00 C ATOM 402 O THR A 30 1.383 3.863 -4.505 1.00 0.00 O ATOM 403 CB THR A 30 2.485 5.007 -6.986 1.00 0.00 C ATOM 404 OG1 THR A 30 2.568 5.850 -8.141 1.00 0.00 O ATOM 405 CG2 THR A 30 3.425 3.822 -7.148 1.00 0.00 C ATOM 0 H THR A 30 0.526 6.390 -5.957 1.00 0.00 H new ATOM 0 HA THR A 30 0.692 4.040 -7.694 1.00 0.00 H new ATOM 0 HB THR A 30 2.786 5.571 -6.103 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.225 6.741 -7.921 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.444 4.182 -7.289 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.381 3.198 -6.255 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.124 3.235 -8.016 1.00 0.00 H new ATOM 413 N PHE A 31 0.515 2.332 -5.908 1.00 0.00 N ATOM 414 CA PHE A 31 0.422 1.292 -4.890 1.00 0.00 C ATOM 415 C PHE A 31 1.500 0.231 -5.097 1.00 0.00 C ATOM 416 O PHE A 31 1.982 0.029 -6.212 1.00 0.00 O ATOM 417 CB PHE A 31 -0.963 0.642 -4.919 1.00 0.00 C ATOM 418 CG PHE A 31 -1.066 -0.505 -5.882 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.101 -0.278 -7.249 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.130 -1.810 -5.422 1.00 0.00 C ATOM 421 CE1 PHE A 31 -1.196 -1.333 -8.139 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.224 -2.868 -6.307 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.259 -2.629 -7.666 1.00 0.00 C ATOM 0 H PHE A 31 0.187 2.049 -6.831 1.00 0.00 H new ATOM 0 HA PHE A 31 0.576 1.756 -3.916 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.211 0.289 -3.918 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.704 1.396 -5.184 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.054 0.734 -7.624 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.106 -2.003 -4.360 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.221 -1.143 -9.202 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.270 -3.881 -5.935 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.336 -3.454 -8.358 1.00 0.00 H new ATOM 433 N LEU A 32 1.871 -0.445 -4.015 1.00 0.00 N ATOM 434 CA LEU A 32 2.891 -1.487 -4.077 1.00 0.00 C ATOM 435 C LEU A 32 2.654 -2.545 -3.004 1.00 0.00 C ATOM 436 O LEU A 32 2.500 -2.226 -1.825 1.00 0.00 O ATOM 437 CB LEU A 32 4.282 -0.875 -3.907 1.00 0.00 C ATOM 438 CG LEU A 32 4.806 -0.784 -2.473 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.312 -2.137 -2.002 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.904 0.265 -2.373 1.00 0.00 C ATOM 0 H LEU A 32 1.481 -0.291 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 32 2.828 -1.966 -5.054 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.989 -1.461 -4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.270 0.129 -4.332 1.00 0.00 H new ATOM 0 HG LEU A 32 3.984 -0.483 -1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.681 -2.052 -0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.498 -2.861 -2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.121 -2.470 -2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.265 0.317 -1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.727 -0.006 -3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.507 1.237 -2.667 1.00 0.00 H new ATOM 452 N VAL A 33 2.628 -3.807 -3.421 1.00 0.00 N ATOM 453 CA VAL A 33 2.413 -4.913 -2.495 1.00 0.00 C ATOM 454 C VAL A 33 3.738 -5.521 -2.048 1.00 0.00 C ATOM 455 O VAL A 33 4.621 -5.780 -2.866 1.00 0.00 O ATOM 456 CB VAL A 33 1.544 -6.015 -3.130 1.00 0.00 C ATOM 457 CG1 VAL A 33 1.199 -7.082 -2.102 1.00 0.00 C ATOM 458 CG2 VAL A 33 0.282 -5.417 -3.734 1.00 0.00 C ATOM 0 H VAL A 33 2.753 -4.089 -4.393 1.00 0.00 H new ATOM 0 HA VAL A 33 1.893 -4.504 -1.628 1.00 0.00 H new ATOM 0 HB VAL A 33 2.114 -6.487 -3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.585 -7.852 -2.569 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.117 -7.531 -1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.648 -6.629 -1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.320 -6.210 -4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.293 -4.918 -2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.554 -4.694 -4.503 1.00 0.00 H new ATOM 468 N ARG A 34 3.869 -5.746 -0.745 1.00 0.00 N ATOM 469 CA ARG A 34 5.087 -6.321 -0.188 1.00 0.00 C ATOM 470 C ARG A 34 4.771 -7.195 1.023 1.00 0.00 C ATOM 471 O ARG A 34 3.652 -7.182 1.533 1.00 0.00 O ATOM 472 CB ARG A 34 6.065 -5.215 0.209 1.00 0.00 C ATOM 473 CG ARG A 34 5.500 -4.238 1.225 1.00 0.00 C ATOM 474 CD ARG A 34 6.537 -3.211 1.649 1.00 0.00 C ATOM 475 NE ARG A 34 6.329 -2.756 3.022 1.00 0.00 N ATOM 476 CZ ARG A 34 5.490 -1.780 3.353 1.00 0.00 C ATOM 477 NH1 ARG A 34 4.785 -1.161 2.416 1.00 0.00 N ATOM 478 NH2 ARG A 34 5.355 -1.423 4.624 1.00 0.00 N ATOM 0 H ARG A 34 3.147 -5.539 -0.055 1.00 0.00 H new ATOM 0 HA ARG A 34 5.547 -6.944 -0.955 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.968 -5.669 0.618 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.361 -4.666 -0.685 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.635 -3.729 0.799 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.149 -4.785 2.100 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.533 -3.643 1.558 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.497 -2.356 0.974 1.00 0.00 H new ATOM 0 HE ARG A 34 6.856 -3.212 3.767 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.886 -1.434 1.438 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.142 -0.412 2.673 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.895 -1.898 5.347 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.711 -0.674 4.878 1.00 0.00 H new ATOM 492 N GLU A 35 5.766 -7.951 1.476 1.00 0.00 N ATOM 493 CA GLU A 35 5.593 -8.831 2.626 1.00 0.00 C ATOM 494 C GLU A 35 5.742 -8.055 3.932 1.00 0.00 C ATOM 495 O GLU A 35 6.417 -7.027 3.983 1.00 0.00 O ATOM 496 CB GLU A 35 6.609 -9.974 2.581 1.00 0.00 C ATOM 497 CG GLU A 35 6.231 -11.086 1.616 1.00 0.00 C ATOM 498 CD GLU A 35 7.021 -12.358 1.854 1.00 0.00 C ATOM 499 OE1 GLU A 35 8.259 -12.327 1.693 1.00 0.00 O ATOM 500 OE2 GLU A 35 6.401 -13.384 2.203 1.00 0.00 O ATOM 0 H GLU A 35 6.699 -7.972 1.065 1.00 0.00 H new ATOM 0 HA GLU A 35 4.587 -9.248 2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.582 -9.573 2.297 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.716 -10.393 3.581 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.167 -11.300 1.713 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.396 -10.746 0.593 1.00 0.00 H new ATOM 507 N SER A 36 5.106 -8.555 4.987 1.00 0.00 N ATOM 508 CA SER A 36 5.163 -7.908 6.292 1.00 0.00 C ATOM 509 C SER A 36 6.438 -8.297 7.036 1.00 0.00 C ATOM 510 O SER A 36 7.011 -9.360 6.795 1.00 0.00 O ATOM 511 CB SER A 36 3.938 -8.285 7.127 1.00 0.00 C ATOM 512 OG SER A 36 2.778 -7.615 6.660 1.00 0.00 O ATOM 0 H SER A 36 4.545 -9.407 4.963 1.00 0.00 H new ATOM 0 HA SER A 36 5.168 -6.829 6.135 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.782 -9.363 7.084 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.113 -8.030 8.172 1.00 0.00 H new ATOM 0 HG SER A 36 2.046 -7.745 7.298 1.00 0.00 H new ATOM 586 N ASP A 42 1.684 -12.328 6.507 1.00 0.00 N ATOM 587 CA ASP A 42 0.862 -11.159 6.219 1.00 0.00 C ATOM 588 C ASP A 42 1.477 -10.325 5.100 1.00 0.00 C ATOM 589 O ASP A 42 2.542 -10.656 4.577 1.00 0.00 O ATOM 590 CB ASP A 42 0.695 -10.303 7.476 1.00 0.00 C ATOM 591 CG ASP A 42 -0.375 -10.843 8.406 1.00 0.00 C ATOM 592 OD1 ASP A 42 -0.071 -11.769 9.185 1.00 0.00 O ATOM 593 OD2 ASP A 42 -1.517 -10.338 8.352 1.00 0.00 O ATOM 0 HA ASP A 42 -0.118 -11.507 5.893 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.645 -10.255 8.008 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.440 -9.283 7.187 1.00 0.00 H new ATOM 598 N PHE A 43 0.799 -9.241 4.735 1.00 0.00 N ATOM 599 CA PHE A 43 1.278 -8.361 3.676 1.00 0.00 C ATOM 600 C PHE A 43 0.880 -6.914 3.949 1.00 0.00 C ATOM 601 O PHE A 43 -0.082 -6.648 4.670 1.00 0.00 O ATOM 602 CB PHE A 43 0.721 -8.807 2.322 1.00 0.00 C ATOM 603 CG PHE A 43 1.025 -10.241 1.991 1.00 0.00 C ATOM 604 CD1 PHE A 43 2.256 -10.598 1.465 1.00 0.00 C ATOM 605 CD2 PHE A 43 0.080 -11.231 2.208 1.00 0.00 C ATOM 606 CE1 PHE A 43 2.537 -11.916 1.160 1.00 0.00 C ATOM 607 CE2 PHE A 43 0.356 -12.550 1.905 1.00 0.00 C ATOM 608 CZ PHE A 43 1.587 -12.894 1.381 1.00 0.00 C ATOM 0 H PHE A 43 -0.083 -8.952 5.157 1.00 0.00 H new ATOM 0 HA PHE A 43 2.366 -8.422 3.652 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.359 -8.663 2.317 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.132 -8.167 1.541 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.004 -9.838 1.292 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.884 -10.968 2.619 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.500 -12.182 0.749 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.390 -13.312 2.078 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.806 -13.925 1.145 1.00 0.00 H new ATOM 618 N VAL A 44 1.628 -5.980 3.369 1.00 0.00 N ATOM 619 CA VAL A 44 1.354 -4.559 3.550 1.00 0.00 C ATOM 620 C VAL A 44 1.033 -3.889 2.220 1.00 0.00 C ATOM 621 O VAL A 44 1.771 -4.034 1.244 1.00 0.00 O ATOM 622 CB VAL A 44 2.546 -3.837 4.204 1.00 0.00 C ATOM 623 CG1 VAL A 44 2.287 -2.339 4.280 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.824 -4.410 5.585 1.00 0.00 C ATOM 0 H VAL A 44 2.428 -6.182 2.770 1.00 0.00 H new ATOM 0 HA VAL A 44 0.489 -4.484 4.209 1.00 0.00 H new ATOM 0 HB VAL A 44 3.429 -3.997 3.586 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.140 -1.845 4.745 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.143 -1.943 3.275 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.392 -2.154 4.875 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.670 -3.888 6.032 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.944 -4.283 6.216 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.058 -5.471 5.498 1.00 0.00 H new ATOM 634 N LEU A 45 -0.071 -3.151 2.186 1.00 0.00 N ATOM 635 CA LEU A 45 -0.490 -2.455 0.974 1.00 0.00 C ATOM 636 C LEU A 45 -0.149 -0.971 1.053 1.00 0.00 C ATOM 637 O LEU A 45 -0.882 -0.186 1.656 1.00 0.00 O ATOM 638 CB LEU A 45 -1.993 -2.633 0.754 1.00 0.00 C ATOM 639 CG LEU A 45 -2.470 -2.584 -0.699 1.00 0.00 C ATOM 640 CD1 LEU A 45 -2.164 -1.227 -1.314 1.00 0.00 C ATOM 641 CD2 LEU A 45 -1.824 -3.698 -1.509 1.00 0.00 C ATOM 0 H LEU A 45 -0.692 -3.019 2.984 1.00 0.00 H new ATOM 0 HA LEU A 45 0.048 -2.888 0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.291 -3.590 1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.516 -1.857 1.313 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.550 -2.731 -0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.510 -1.210 -2.348 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.674 -0.448 -0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.089 -1.050 -1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.174 -3.648 -2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.740 -3.582 -1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.094 -4.663 -1.080 1.00 0.00 H new ATOM 653 N SER A 46 0.968 -0.592 0.439 1.00 0.00 N ATOM 654 CA SER A 46 1.408 0.798 0.441 1.00 0.00 C ATOM 655 C SER A 46 0.882 1.536 -0.787 1.00 0.00 C ATOM 656 O SER A 46 0.850 0.987 -1.888 1.00 0.00 O ATOM 657 CB SER A 46 2.935 0.871 0.479 1.00 0.00 C ATOM 658 OG SER A 46 3.373 2.044 1.146 1.00 0.00 O ATOM 0 H SER A 46 1.584 -1.229 -0.066 1.00 0.00 H new ATOM 0 HA SER A 46 1.006 1.280 1.332 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.332 -0.009 0.985 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.328 0.858 -0.537 1.00 0.00 H new ATOM 0 HG SER A 46 3.281 1.923 2.114 1.00 0.00 H new ATOM 664 N VAL A 47 0.470 2.784 -0.589 1.00 0.00 N ATOM 665 CA VAL A 47 -0.052 3.599 -1.678 1.00 0.00 C ATOM 666 C VAL A 47 0.327 5.064 -1.500 1.00 0.00 C ATOM 667 O VAL A 47 0.238 5.610 -0.400 1.00 0.00 O ATOM 668 CB VAL A 47 -1.586 3.485 -1.779 1.00 0.00 C ATOM 669 CG1 VAL A 47 -2.062 3.892 -3.165 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.038 2.071 -1.445 1.00 0.00 C ATOM 0 H VAL A 47 0.488 3.253 0.317 1.00 0.00 H new ATOM 0 HA VAL A 47 0.395 3.221 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.032 4.166 -1.054 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.147 3.805 -3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.771 4.924 -3.361 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.609 3.239 -3.911 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.124 2.008 -1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.584 1.369 -2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.731 1.821 -0.430 1.00 0.00 H new ATOM 680 N LEU A 48 0.749 5.697 -2.589 1.00 0.00 N ATOM 681 CA LEU A 48 1.142 7.102 -2.554 1.00 0.00 C ATOM 682 C LEU A 48 -0.034 8.005 -2.909 1.00 0.00 C ATOM 683 O LEU A 48 -0.602 7.904 -3.997 1.00 0.00 O ATOM 684 CB LEU A 48 2.302 7.352 -3.519 1.00 0.00 C ATOM 685 CG LEU A 48 3.129 8.612 -3.262 1.00 0.00 C ATOM 686 CD1 LEU A 48 3.614 8.648 -1.821 1.00 0.00 C ATOM 687 CD2 LEU A 48 4.307 8.682 -4.224 1.00 0.00 C ATOM 0 H LEU A 48 0.828 5.260 -3.507 1.00 0.00 H new ATOM 0 HA LEU A 48 1.464 7.338 -1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.969 6.491 -3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.901 7.405 -4.531 1.00 0.00 H new ATOM 0 HG LEU A 48 2.493 9.481 -3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.201 9.552 -1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.756 8.645 -1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.233 7.773 -1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.885 9.585 -4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.942 7.807 -4.085 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.938 8.704 -5.250 1.00 0.00 H new ATOM 699 N SER A 49 -0.396 8.890 -1.985 1.00 0.00 N ATOM 700 CA SER A 49 -1.505 9.811 -2.200 1.00 0.00 C ATOM 701 C SER A 49 -1.047 11.042 -2.977 1.00 0.00 C ATOM 702 O SER A 49 0.091 11.489 -2.838 1.00 0.00 O ATOM 703 CB SER A 49 -2.110 10.235 -0.860 1.00 0.00 C ATOM 704 OG SER A 49 -1.148 10.889 -0.051 1.00 0.00 O ATOM 0 H SER A 49 0.064 8.988 -1.080 1.00 0.00 H new ATOM 0 HA SER A 49 -2.265 9.295 -2.787 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.956 10.900 -1.033 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.494 9.359 -0.337 1.00 0.00 H new ATOM 0 HG SER A 49 -0.509 10.231 0.294 1.00 0.00 H new ATOM 710 N ASP A 50 -1.943 11.583 -3.795 1.00 0.00 N ATOM 711 CA ASP A 50 -1.633 12.763 -4.594 1.00 0.00 C ATOM 712 C ASP A 50 -1.484 13.997 -3.708 1.00 0.00 C ATOM 713 O ASP A 50 -1.203 15.091 -4.195 1.00 0.00 O ATOM 714 CB ASP A 50 -2.726 12.999 -5.638 1.00 0.00 C ATOM 715 CG ASP A 50 -2.837 14.457 -6.039 1.00 0.00 C ATOM 716 OD1 ASP A 50 -3.469 15.233 -5.290 1.00 0.00 O ATOM 717 OD2 ASP A 50 -2.293 14.823 -7.102 1.00 0.00 O ATOM 0 H ASP A 50 -2.889 11.224 -3.922 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.685 12.588 -5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.516 12.397 -6.522 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.683 12.660 -5.241 1.00 0.00 H new ATOM 722 N GLN A 51 -1.674 13.809 -2.406 1.00 0.00 N ATOM 723 CA GLN A 51 -1.562 14.907 -1.453 1.00 0.00 C ATOM 724 C GLN A 51 -0.252 14.823 -0.677 1.00 0.00 C ATOM 725 O GLN A 51 0.092 13.790 -0.101 1.00 0.00 O ATOM 726 CB GLN A 51 -2.745 14.891 -0.483 1.00 0.00 C ATOM 727 CG GLN A 51 -4.096 15.020 -1.168 1.00 0.00 C ATOM 728 CD GLN A 51 -4.358 16.421 -1.684 1.00 0.00 C ATOM 729 OE1 GLN A 51 -4.092 16.728 -2.846 1.00 0.00 O ATOM 730 NE2 GLN A 51 -4.884 17.282 -0.819 1.00 0.00 N ATOM 0 H GLN A 51 -1.906 12.908 -1.987 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.572 15.843 -2.012 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.724 13.963 0.088 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.630 15.707 0.231 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.147 14.316 -1.998 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.883 14.742 -0.466 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.089 16.985 0.135 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.083 18.239 -1.109 1.00 0.00 H new ATOM 739 N PRO A 52 0.498 15.934 -0.659 1.00 0.00 N ATOM 740 CA PRO A 52 1.783 16.012 0.043 1.00 0.00 C ATOM 741 C PRO A 52 1.618 15.981 1.559 1.00 0.00 C ATOM 742 O PRO A 52 0.528 16.222 2.080 1.00 0.00 O ATOM 743 CB PRO A 52 2.353 17.359 -0.405 1.00 0.00 C ATOM 744 CG PRO A 52 1.159 18.172 -0.772 1.00 0.00 C ATOM 745 CD PRO A 52 0.150 17.202 -1.323 1.00 0.00 C ATOM 0 HA PRO A 52 2.426 15.164 -0.191 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.924 17.833 0.393 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.028 17.241 -1.253 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.762 18.696 0.097 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.416 18.930 -1.512 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.870 17.509 -1.093 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.221 17.121 -2.408 1.00 0.00 H new ATOM 753 N LYS A 53 2.705 15.683 2.262 1.00 0.00 N ATOM 754 CA LYS A 53 2.682 15.623 3.719 1.00 0.00 C ATOM 755 C LYS A 53 2.846 17.014 4.323 1.00 0.00 C ATOM 756 O LYS A 53 2.458 17.254 5.467 1.00 0.00 O ATOM 757 CB LYS A 53 3.791 14.700 4.229 1.00 0.00 C ATOM 758 CG LYS A 53 5.191 15.198 3.913 1.00 0.00 C ATOM 759 CD LYS A 53 6.249 14.201 4.353 1.00 0.00 C ATOM 760 CE LYS A 53 6.317 14.091 5.868 1.00 0.00 C ATOM 761 NZ LYS A 53 7.662 13.650 6.332 1.00 0.00 N ATOM 0 H LYS A 53 3.614 15.479 1.846 1.00 0.00 H new ATOM 0 HA LYS A 53 1.715 15.224 4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.690 14.587 5.308 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.659 13.711 3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.281 15.377 2.842 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.360 16.153 4.411 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.028 13.223 3.926 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.221 14.506 3.966 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.078 15.057 6.313 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.563 13.384 6.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.668 13.587 7.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.880 12.717 5.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.379 14.337 6.023 1.00 0.00 H new ATOM 813 N SER A 58 6.953 19.092 -0.709 1.00 0.00 N ATOM 814 CA SER A 58 7.136 17.930 0.151 1.00 0.00 C ATOM 815 C SER A 58 6.745 16.647 -0.577 1.00 0.00 C ATOM 816 O SER A 58 5.992 16.662 -1.551 1.00 0.00 O ATOM 817 CB SER A 58 6.305 18.077 1.428 1.00 0.00 C ATOM 818 OG SER A 58 5.083 18.744 1.167 1.00 0.00 O ATOM 0 HA SER A 58 8.191 17.870 0.417 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.103 17.092 1.849 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.874 18.632 2.174 1.00 0.00 H new ATOM 0 HG SER A 58 5.180 19.305 0.369 1.00 0.00 H new ATOM 824 N PRO A 59 7.269 15.511 -0.095 1.00 0.00 N ATOM 825 CA PRO A 59 6.989 14.198 -0.685 1.00 0.00 C ATOM 826 C PRO A 59 5.550 13.751 -0.448 1.00 0.00 C ATOM 827 O PRO A 59 5.001 13.941 0.638 1.00 0.00 O ATOM 828 CB PRO A 59 7.964 13.268 0.042 1.00 0.00 C ATOM 829 CG PRO A 59 8.233 13.943 1.342 1.00 0.00 C ATOM 830 CD PRO A 59 8.173 15.419 1.062 1.00 0.00 C ATOM 0 HA PRO A 59 7.110 14.203 -1.768 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.531 12.279 0.192 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.882 13.131 -0.530 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.494 13.657 2.090 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.210 13.660 1.734 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.789 15.975 1.917 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.159 15.825 0.835 1.00 0.00 H new ATOM 838 N LEU A 60 4.945 13.155 -1.470 1.00 0.00 N ATOM 839 CA LEU A 60 3.569 12.680 -1.373 1.00 0.00 C ATOM 840 C LEU A 60 3.398 11.746 -0.180 1.00 0.00 C ATOM 841 O LEU A 60 4.240 10.883 0.072 1.00 0.00 O ATOM 842 CB LEU A 60 3.166 11.959 -2.661 1.00 0.00 C ATOM 843 CG LEU A 60 2.592 12.840 -3.771 1.00 0.00 C ATOM 844 CD1 LEU A 60 3.255 14.209 -3.763 1.00 0.00 C ATOM 845 CD2 LEU A 60 2.764 12.170 -5.126 1.00 0.00 C ATOM 0 H LEU A 60 5.386 12.989 -2.375 1.00 0.00 H new ATOM 0 HA LEU A 60 2.921 13.545 -1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.041 11.440 -3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.428 11.197 -2.411 1.00 0.00 H new ATOM 0 HG LEU A 60 1.526 12.974 -3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.834 14.822 -4.560 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.080 14.693 -2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.327 14.095 -3.922 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.350 12.811 -5.904 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.824 12.005 -5.318 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.241 11.213 -5.128 1.00 0.00 H new ATOM 857 N ARG A 61 2.303 11.924 0.552 1.00 0.00 N ATOM 858 CA ARG A 61 2.022 11.096 1.719 1.00 0.00 C ATOM 859 C ARG A 61 1.719 9.659 1.306 1.00 0.00 C ATOM 860 O ARG A 61 1.033 9.418 0.312 1.00 0.00 O ATOM 861 CB ARG A 61 0.842 11.671 2.505 1.00 0.00 C ATOM 862 CG ARG A 61 0.312 10.734 3.579 1.00 0.00 C ATOM 863 CD ARG A 61 -0.297 11.506 4.740 1.00 0.00 C ATOM 864 NE ARG A 61 -0.516 10.655 5.907 1.00 0.00 N ATOM 865 CZ ARG A 61 -0.920 11.115 7.086 1.00 0.00 C ATOM 866 NH1 ARG A 61 -1.148 12.409 7.254 1.00 0.00 N ATOM 867 NH2 ARG A 61 -1.097 10.278 8.100 1.00 0.00 N ATOM 0 H ARG A 61 1.596 12.634 0.358 1.00 0.00 H new ATOM 0 HA ARG A 61 2.908 11.094 2.354 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.148 12.608 2.971 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.035 11.909 1.811 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.438 10.071 3.148 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.122 10.103 3.945 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.361 12.332 5.011 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.245 11.944 4.427 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.350 9.653 5.811 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.013 13.056 6.477 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.458 12.759 8.161 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.923 9.281 7.975 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.407 10.632 9.005 1.00 0.00 H new ATOM 881 N VAL A 62 2.237 8.706 2.075 1.00 0.00 N ATOM 882 CA VAL A 62 2.022 7.292 1.790 1.00 0.00 C ATOM 883 C VAL A 62 0.972 6.697 2.721 1.00 0.00 C ATOM 884 O VAL A 62 0.686 7.247 3.785 1.00 0.00 O ATOM 885 CB VAL A 62 3.329 6.488 1.925 1.00 0.00 C ATOM 886 CG1 VAL A 62 3.122 5.052 1.466 1.00 0.00 C ATOM 887 CG2 VAL A 62 4.447 7.153 1.137 1.00 0.00 C ATOM 0 H VAL A 62 2.808 8.888 2.900 1.00 0.00 H new ATOM 0 HA VAL A 62 1.669 7.226 0.761 1.00 0.00 H new ATOM 0 HB VAL A 62 3.618 6.470 2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.056 4.499 1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.353 4.582 2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.809 5.045 0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.363 6.572 1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.170 7.204 0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.611 8.161 1.518 1.00 0.00 H new ATOM 897 N THR A 63 0.401 5.567 2.315 1.00 0.00 N ATOM 898 CA THR A 63 -0.617 4.896 3.113 1.00 0.00 C ATOM 899 C THR A 63 -0.351 3.398 3.197 1.00 0.00 C ATOM 900 O THR A 63 -0.477 2.678 2.205 1.00 0.00 O ATOM 901 CB THR A 63 -2.026 5.124 2.533 1.00 0.00 C ATOM 902 OG1 THR A 63 -2.279 6.527 2.399 1.00 0.00 O ATOM 903 CG2 THR A 63 -3.087 4.496 3.424 1.00 0.00 C ATOM 0 H THR A 63 0.627 5.098 1.438 1.00 0.00 H new ATOM 0 HA THR A 63 -0.569 5.327 4.113 1.00 0.00 H new ATOM 0 HB THR A 63 -2.072 4.651 1.552 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.176 6.664 2.028 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.073 4.670 2.994 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.909 3.423 3.501 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.040 4.944 4.417 1.00 0.00 H new ATOM 911 N HIS A 64 0.016 2.932 4.386 1.00 0.00 N ATOM 912 CA HIS A 64 0.298 1.517 4.600 1.00 0.00 C ATOM 913 C HIS A 64 -0.914 0.803 5.189 1.00 0.00 C ATOM 914 O HIS A 64 -1.291 1.046 6.336 1.00 0.00 O ATOM 915 CB HIS A 64 1.503 1.350 5.526 1.00 0.00 C ATOM 916 CG HIS A 64 2.639 2.272 5.203 1.00 0.00 C ATOM 917 ND1 HIS A 64 3.460 2.099 4.109 1.00 0.00 N ATOM 918 CD2 HIS A 64 3.088 3.380 5.838 1.00 0.00 C ATOM 919 CE1 HIS A 64 4.366 3.061 4.085 1.00 0.00 C ATOM 920 NE2 HIS A 64 4.161 3.852 5.124 1.00 0.00 N ATOM 0 H HIS A 64 0.125 3.514 5.217 1.00 0.00 H new ATOM 0 HA HIS A 64 0.527 1.068 3.633 1.00 0.00 H new ATOM 0 HB2 HIS A 64 1.187 1.523 6.555 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.855 0.320 5.469 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.678 3.812 6.739 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.142 3.180 3.343 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.711 4.679 5.357 1.00 0.00 H new ATOM 929 N ILE A 65 -1.522 -0.074 4.398 1.00 0.00 N ATOM 930 CA ILE A 65 -2.691 -0.822 4.842 1.00 0.00 C ATOM 931 C ILE A 65 -2.351 -2.292 5.066 1.00 0.00 C ATOM 932 O ILE A 65 -2.016 -3.013 4.126 1.00 0.00 O ATOM 933 CB ILE A 65 -3.843 -0.722 3.825 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.313 0.728 3.694 1.00 0.00 C ATOM 935 CG2 ILE A 65 -4.997 -1.622 4.241 1.00 0.00 C ATOM 936 CD1 ILE A 65 -4.966 1.035 2.364 1.00 0.00 C ATOM 0 H ILE A 65 -1.224 -0.284 3.445 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.010 -0.378 5.785 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.479 -1.056 2.853 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.019 0.946 4.495 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.460 1.392 3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.803 -1.540 3.512 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.654 -2.655 4.288 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.362 -1.316 5.222 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.274 2.080 2.343 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.256 0.849 1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.840 0.397 2.232 1.00 0.00 H new ATOM 948 N LYS A 66 -2.442 -2.731 6.317 1.00 0.00 N ATOM 949 CA LYS A 66 -2.148 -4.115 6.665 1.00 0.00 C ATOM 950 C LYS A 66 -3.134 -5.066 5.995 1.00 0.00 C ATOM 951 O LYS A 66 -4.317 -5.091 6.335 1.00 0.00 O ATOM 952 CB LYS A 66 -2.196 -4.302 8.184 1.00 0.00 C ATOM 953 CG LYS A 66 -1.029 -3.656 8.912 1.00 0.00 C ATOM 954 CD LYS A 66 -0.747 -4.347 10.235 1.00 0.00 C ATOM 955 CE LYS A 66 0.649 -4.026 10.745 1.00 0.00 C ATOM 956 NZ LYS A 66 0.865 -4.534 12.129 1.00 0.00 N ATOM 0 H LYS A 66 -2.717 -2.147 7.107 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.145 -4.348 6.307 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.128 -3.883 8.564 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.210 -5.368 8.411 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.140 -3.695 8.283 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.248 -2.603 9.090 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.486 -4.036 10.974 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.852 -5.425 10.113 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.390 -4.466 10.077 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.803 -2.947 10.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.828 -4.295 12.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.175 -4.095 12.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.743 -5.567 12.143 1.00 0.00 H new ATOM 970 N VAL A 67 -2.640 -5.850 5.042 1.00 0.00 N ATOM 971 CA VAL A 67 -3.477 -6.805 4.327 1.00 0.00 C ATOM 972 C VAL A 67 -3.561 -8.131 5.074 1.00 0.00 C ATOM 973 O VAL A 67 -2.544 -8.774 5.334 1.00 0.00 O ATOM 974 CB VAL A 67 -2.944 -7.063 2.905 1.00 0.00 C ATOM 975 CG1 VAL A 67 -3.717 -8.193 2.241 1.00 0.00 C ATOM 976 CG2 VAL A 67 -3.018 -5.794 2.069 1.00 0.00 C ATOM 0 H VAL A 67 -1.664 -5.842 4.747 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.472 -6.365 4.261 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.899 -7.363 2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.326 -8.361 1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.608 -9.104 2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.772 -7.925 2.180 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.637 -5.995 1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.054 -5.461 2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.416 -5.015 2.536 1.00 0.00 H new ATOM 986 N MET A 68 -4.780 -8.534 5.417 1.00 0.00 N ATOM 987 CA MET A 68 -4.997 -9.785 6.134 1.00 0.00 C ATOM 988 C MET A 68 -5.139 -10.951 5.162 1.00 0.00 C ATOM 989 O MET A 68 -5.976 -10.920 4.258 1.00 0.00 O ATOM 990 CB MET A 68 -6.244 -9.684 7.015 1.00 0.00 C ATOM 991 CG MET A 68 -6.047 -8.823 8.251 1.00 0.00 C ATOM 992 SD MET A 68 -7.508 -8.781 9.307 1.00 0.00 S ATOM 993 CE MET A 68 -8.179 -7.172 8.894 1.00 0.00 C ATOM 0 H MET A 68 -5.632 -8.013 5.210 1.00 0.00 H new ATOM 0 HA MET A 68 -4.129 -9.967 6.767 1.00 0.00 H new ATOM 0 HB2 MET A 68 -7.064 -9.275 6.424 1.00 0.00 H new ATOM 0 HB3 MET A 68 -6.543 -10.686 7.324 1.00 0.00 H new ATOM 0 HG2 MET A 68 -5.201 -9.203 8.823 1.00 0.00 H new ATOM 0 HG3 MET A 68 -5.795 -7.808 7.945 1.00 0.00 H new ATOM 0 HE1 MET A 68 -9.266 -7.201 8.970 1.00 0.00 H new ATOM 0 HE2 MET A 68 -7.787 -6.426 9.585 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.893 -6.909 7.875 1.00 0.00 H new ATOM 1003 N CYS A 69 -4.319 -11.979 5.352 1.00 0.00 N ATOM 1004 CA CYS A 69 -4.354 -13.155 4.491 1.00 0.00 C ATOM 1005 C CYS A 69 -4.685 -14.409 5.295 1.00 0.00 C ATOM 1006 O CYS A 69 -4.052 -14.690 6.312 1.00 0.00 O ATOM 1007 CB CYS A 69 -3.011 -13.331 3.779 1.00 0.00 C ATOM 1008 SG CYS A 69 -2.917 -14.804 2.736 1.00 0.00 S ATOM 0 H CYS A 69 -3.622 -12.021 6.095 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.136 -13.006 3.746 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.819 -12.451 3.165 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -2.219 -13.377 4.526 1.00 0.00 H new ATOM 0 HG CYS A 69 -4.026 -14.937 2.072 1.00 0.00 H new ATOM 1043 N ARG A 73 -6.797 -16.319 0.761 1.00 0.00 N ATOM 1044 CA ARG A 73 -7.563 -15.127 0.417 1.00 0.00 C ATOM 1045 C ARG A 73 -6.955 -13.885 1.062 1.00 0.00 C ATOM 1046 O ARG A 73 -5.965 -13.972 1.789 1.00 0.00 O ATOM 1047 CB ARG A 73 -9.019 -15.284 0.862 1.00 0.00 C ATOM 1048 CG ARG A 73 -9.177 -16.044 2.170 1.00 0.00 C ATOM 1049 CD ARG A 73 -9.332 -17.537 1.931 1.00 0.00 C ATOM 1050 NE ARG A 73 -10.710 -17.901 1.615 1.00 0.00 N ATOM 1051 CZ ARG A 73 -11.090 -19.130 1.284 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -10.197 -20.110 1.229 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -12.363 -19.383 1.011 1.00 0.00 N ATOM 0 HA ARG A 73 -7.532 -15.006 -0.666 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -9.466 -14.296 0.969 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.575 -15.802 0.081 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.309 -15.864 2.804 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.047 -15.668 2.708 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -8.680 -17.843 1.113 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.008 -18.082 2.818 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.421 -17.170 1.650 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -9.218 -19.920 1.441 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.490 -21.053 0.975 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.053 -18.633 1.055 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.652 -20.328 0.757 1.00 0.00 H new ATOM 1067 N TYR A 74 -7.552 -12.730 0.788 1.00 0.00 N ATOM 1068 CA TYR A 74 -7.067 -11.471 1.339 1.00 0.00 C ATOM 1069 C TYR A 74 -8.229 -10.586 1.781 1.00 0.00 C ATOM 1070 O TYR A 74 -9.297 -10.589 1.168 1.00 0.00 O ATOM 1071 CB TYR A 74 -6.215 -10.733 0.305 1.00 0.00 C ATOM 1072 CG TYR A 74 -5.013 -11.521 -0.163 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -3.806 -11.456 0.523 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -5.084 -12.332 -1.289 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -2.704 -12.174 0.099 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -3.988 -13.054 -1.720 1.00 0.00 C ATOM 1077 CZ TYR A 74 -2.801 -12.972 -1.023 1.00 0.00 C ATOM 1078 OH TYR A 74 -1.706 -13.689 -1.448 1.00 0.00 O ATOM 0 H TYR A 74 -8.372 -12.640 0.188 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.454 -11.698 2.211 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.836 -10.488 -0.557 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.876 -9.789 0.733 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.728 -10.834 1.402 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.012 -12.399 -1.837 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.773 -12.111 0.642 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.060 -13.679 -2.598 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.941 -14.200 -2.250 1.00 0.00 H new ATOM 1088 N THR A 75 -8.013 -9.828 2.852 1.00 0.00 N ATOM 1089 CA THR A 75 -9.040 -8.938 3.378 1.00 0.00 C ATOM 1090 C THR A 75 -8.419 -7.735 4.079 1.00 0.00 C ATOM 1091 O THR A 75 -7.231 -7.737 4.402 1.00 0.00 O ATOM 1092 CB THR A 75 -9.965 -9.672 4.367 1.00 0.00 C ATOM 1093 OG1 THR A 75 -11.140 -8.890 4.611 1.00 0.00 O ATOM 1094 CG2 THR A 75 -9.248 -9.943 5.681 1.00 0.00 C ATOM 0 H THR A 75 -7.136 -9.813 3.372 1.00 0.00 H new ATOM 0 HA THR A 75 -9.628 -8.595 2.527 1.00 0.00 H new ATOM 0 HB THR A 75 -10.249 -10.626 3.924 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.292 -8.820 5.577 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.922 -10.462 6.363 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.371 -10.563 5.496 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.937 -8.998 6.127 1.00 0.00 H new ATOM 1102 N VAL A 76 -9.230 -6.708 4.311 1.00 0.00 N ATOM 1103 CA VAL A 76 -8.761 -5.497 4.975 1.00 0.00 C ATOM 1104 C VAL A 76 -9.888 -4.823 5.749 1.00 0.00 C ATOM 1105 O VAL A 76 -10.841 -4.316 5.161 1.00 0.00 O ATOM 1106 CB VAL A 76 -8.173 -4.495 3.964 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.787 -4.934 3.520 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -9.101 -4.338 2.770 1.00 0.00 C ATOM 0 H VAL A 76 -10.216 -6.690 4.049 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.978 -5.799 5.671 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.080 -3.525 4.452 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.388 -4.213 2.806 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.128 -4.989 4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.850 -5.915 3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.670 -3.626 2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.229 -5.303 2.279 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.070 -3.972 3.108 1.00 0.00 H new ATOM 1118 N GLY A 77 -9.770 -4.820 7.074 1.00 0.00 N ATOM 1119 CA GLY A 77 -10.786 -4.204 7.907 1.00 0.00 C ATOM 1120 C GLY A 77 -12.042 -5.047 8.008 1.00 0.00 C ATOM 1121 O GLY A 77 -12.506 -5.353 9.105 1.00 0.00 O ATOM 0 H GLY A 77 -8.989 -5.233 7.584 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.382 -4.039 8.906 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.041 -3.225 7.500 1.00 0.00 H new ATOM 1125 N GLY A 78 -12.597 -5.420 6.858 1.00 0.00 N ATOM 1126 CA GLY A 78 -13.803 -6.227 6.844 1.00 0.00 C ATOM 1127 C GLY A 78 -13.511 -7.702 6.654 1.00 0.00 C ATOM 1128 O GLY A 78 -12.364 -8.137 6.773 1.00 0.00 O ATOM 0 H GLY A 78 -12.233 -5.178 5.937 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.343 -6.084 7.780 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.457 -5.883 6.043 1.00 0.00 H new ATOM 1132 N LEU A 79 -14.550 -8.476 6.361 1.00 0.00 N ATOM 1133 CA LEU A 79 -14.401 -9.913 6.155 1.00 0.00 C ATOM 1134 C LEU A 79 -14.205 -10.235 4.677 1.00 0.00 C ATOM 1135 O LEU A 79 -13.631 -11.265 4.328 1.00 0.00 O ATOM 1136 CB LEU A 79 -15.626 -10.655 6.692 1.00 0.00 C ATOM 1137 CG LEU A 79 -16.938 -10.411 5.945 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -17.104 -11.417 4.817 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -18.119 -10.483 6.904 1.00 0.00 C ATOM 0 H LEU A 79 -15.505 -8.133 6.261 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.516 -10.243 6.700 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -15.415 -11.724 6.675 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -15.768 -10.374 7.736 1.00 0.00 H new ATOM 0 HG LEU A 79 -16.907 -9.411 5.512 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -18.043 -11.228 4.296 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -16.275 -11.318 4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -17.114 -12.426 5.228 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -19.044 -10.307 6.355 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -18.153 -11.470 7.366 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -18.006 -9.724 7.678 1.00 0.00 H new ATOM 1151 N GLU A 80 -14.683 -9.343 3.815 1.00 0.00 N ATOM 1152 CA GLU A 80 -14.559 -9.532 2.374 1.00 0.00 C ATOM 1153 C GLU A 80 -13.232 -10.201 2.026 1.00 0.00 C ATOM 1154 O GLU A 80 -12.195 -9.542 1.941 1.00 0.00 O ATOM 1155 CB GLU A 80 -14.672 -8.190 1.649 1.00 0.00 C ATOM 1156 CG GLU A 80 -16.104 -7.775 1.355 1.00 0.00 C ATOM 1157 CD GLU A 80 -16.275 -6.269 1.299 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -15.367 -5.588 0.780 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -17.319 -5.773 1.774 1.00 0.00 O ATOM 0 H GLU A 80 -15.159 -8.483 4.089 1.00 0.00 H new ATOM 0 HA GLU A 80 -15.371 -10.182 2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -14.196 -7.419 2.254 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -14.119 -8.246 0.711 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -16.416 -8.208 0.405 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -16.762 -8.183 2.122 1.00 0.00 H new ATOM 1166 N THR A 81 -13.272 -11.514 1.825 1.00 0.00 N ATOM 1167 CA THR A 81 -12.076 -12.273 1.487 1.00 0.00 C ATOM 1168 C THR A 81 -12.014 -12.568 -0.008 1.00 0.00 C ATOM 1169 O THR A 81 -12.688 -13.472 -0.500 1.00 0.00 O ATOM 1170 CB THR A 81 -12.015 -13.602 2.264 1.00 0.00 C ATOM 1171 OG1 THR A 81 -13.287 -14.258 2.212 1.00 0.00 O ATOM 1172 CG2 THR A 81 -11.620 -13.364 3.713 1.00 0.00 C ATOM 0 H THR A 81 -14.122 -12.074 1.891 1.00 0.00 H new ATOM 0 HA THR A 81 -11.222 -11.657 1.768 1.00 0.00 H new ATOM 0 HB THR A 81 -11.260 -14.236 1.798 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.606 -14.280 1.286 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.584 -14.317 4.241 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.639 -12.891 3.750 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.354 -12.713 4.188 1.00 0.00 H new ATOM 1180 N PHE A 82 -11.199 -11.800 -0.724 1.00 0.00 N ATOM 1181 CA PHE A 82 -11.050 -11.979 -2.163 1.00 0.00 C ATOM 1182 C PHE A 82 -10.282 -13.261 -2.475 1.00 0.00 C ATOM 1183 O PHE A 82 -9.573 -13.795 -1.622 1.00 0.00 O ATOM 1184 CB PHE A 82 -10.328 -10.777 -2.776 1.00 0.00 C ATOM 1185 CG PHE A 82 -10.953 -9.458 -2.422 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -10.685 -8.854 -1.204 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -11.810 -8.823 -3.306 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -11.259 -7.640 -0.875 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -12.386 -7.609 -2.983 1.00 0.00 C ATOM 1190 CZ PHE A 82 -12.111 -7.017 -1.766 1.00 0.00 C ATOM 0 H PHE A 82 -10.632 -11.048 -0.331 1.00 0.00 H new ATOM 0 HA PHE A 82 -12.046 -12.057 -2.599 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.290 -10.779 -2.444 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -10.316 -10.885 -3.861 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.020 -9.337 -0.504 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -12.031 -9.282 -4.258 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.042 -7.179 0.077 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -13.051 -7.123 -3.682 1.00 0.00 H new ATOM 0 HZ PHE A 82 -12.561 -6.069 -1.511 1.00 0.00 H new ATOM 1200 N ASP A 83 -10.430 -13.747 -3.703 1.00 0.00 N ATOM 1201 CA ASP A 83 -9.751 -14.965 -4.128 1.00 0.00 C ATOM 1202 C ASP A 83 -8.237 -14.802 -4.046 1.00 0.00 C ATOM 1203 O ASP A 83 -7.514 -15.754 -3.755 1.00 0.00 O ATOM 1204 CB ASP A 83 -10.160 -15.330 -5.556 1.00 0.00 C ATOM 1205 CG ASP A 83 -11.619 -15.730 -5.658 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -12.097 -16.458 -4.763 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -12.283 -15.316 -6.630 1.00 0.00 O ATOM 0 H ASP A 83 -11.013 -13.316 -4.420 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.048 -15.770 -3.455 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.973 -14.480 -6.212 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.536 -16.150 -5.911 1.00 0.00 H new ATOM 1212 N SER A 84 -7.763 -13.587 -4.304 1.00 0.00 N ATOM 1213 CA SER A 84 -6.335 -13.298 -4.263 1.00 0.00 C ATOM 1214 C SER A 84 -6.083 -11.793 -4.288 1.00 0.00 C ATOM 1215 O SER A 84 -6.994 -11.004 -4.543 1.00 0.00 O ATOM 1216 CB SER A 84 -5.625 -13.964 -5.444 1.00 0.00 C ATOM 1217 OG SER A 84 -5.395 -15.339 -5.192 1.00 0.00 O ATOM 0 H SER A 84 -8.348 -12.787 -4.544 1.00 0.00 H new ATOM 0 HA SER A 84 -5.935 -13.700 -3.332 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.228 -13.852 -6.345 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.676 -13.462 -5.632 1.00 0.00 H new ATOM 0 HG SER A 84 -5.859 -15.603 -4.370 1.00 0.00 H new ATOM 1223 N LEU A 85 -4.842 -11.403 -4.019 1.00 0.00 N ATOM 1224 CA LEU A 85 -4.468 -9.993 -4.010 1.00 0.00 C ATOM 1225 C LEU A 85 -4.876 -9.312 -5.313 1.00 0.00 C ATOM 1226 O LEU A 85 -5.376 -8.187 -5.310 1.00 0.00 O ATOM 1227 CB LEU A 85 -2.962 -9.846 -3.794 1.00 0.00 C ATOM 1228 CG LEU A 85 -2.499 -9.736 -2.341 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -1.006 -10.002 -2.235 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -2.840 -8.365 -1.775 1.00 0.00 C ATOM 0 H LEU A 85 -4.078 -12.043 -3.804 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.995 -9.508 -3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.465 -10.703 -4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.623 -8.959 -4.330 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.024 -10.490 -1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.695 -9.919 -1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.788 -11.006 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.463 -9.272 -2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.503 -8.305 -0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.343 -7.594 -2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.919 -8.213 -1.815 1.00 0.00 H new ATOM 1242 N THR A 86 -4.661 -10.005 -6.428 1.00 0.00 N ATOM 1243 CA THR A 86 -5.006 -9.468 -7.738 1.00 0.00 C ATOM 1244 C THR A 86 -6.447 -8.968 -7.766 1.00 0.00 C ATOM 1245 O THR A 86 -6.745 -7.939 -8.370 1.00 0.00 O ATOM 1246 CB THR A 86 -4.821 -10.524 -8.844 1.00 0.00 C ATOM 1247 OG1 THR A 86 -3.554 -11.174 -8.693 1.00 0.00 O ATOM 1248 CG2 THR A 86 -4.907 -9.886 -10.222 1.00 0.00 C ATOM 0 H THR A 86 -4.250 -10.938 -6.449 1.00 0.00 H new ATOM 0 HA THR A 86 -4.331 -8.633 -7.925 1.00 0.00 H new ATOM 0 HB THR A 86 -5.620 -11.259 -8.751 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.444 -11.845 -9.399 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.773 -10.652 -10.986 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.883 -9.417 -10.345 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.126 -9.132 -10.323 1.00 0.00 H new ATOM 1256 N ASP A 87 -7.336 -9.704 -7.108 1.00 0.00 N ATOM 1257 CA ASP A 87 -8.745 -9.335 -7.055 1.00 0.00 C ATOM 1258 C ASP A 87 -8.991 -8.282 -5.978 1.00 0.00 C ATOM 1259 O ASP A 87 -9.600 -7.243 -6.238 1.00 0.00 O ATOM 1260 CB ASP A 87 -9.609 -10.569 -6.787 1.00 0.00 C ATOM 1261 CG ASP A 87 -11.025 -10.406 -7.301 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -11.616 -9.327 -7.087 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -11.544 -11.358 -7.920 1.00 0.00 O ATOM 0 H ASP A 87 -7.105 -10.560 -6.604 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.021 -8.912 -8.021 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.152 -11.439 -7.259 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.635 -10.765 -5.715 1.00 0.00 H new ATOM 1268 N LEU A 88 -8.516 -8.559 -4.769 1.00 0.00 N ATOM 1269 CA LEU A 88 -8.685 -7.637 -3.651 1.00 0.00 C ATOM 1270 C LEU A 88 -8.192 -6.240 -4.018 1.00 0.00 C ATOM 1271 O LEU A 88 -8.758 -5.237 -3.586 1.00 0.00 O ATOM 1272 CB LEU A 88 -7.931 -8.149 -2.423 1.00 0.00 C ATOM 1273 CG LEU A 88 -7.809 -7.171 -1.254 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -7.770 -7.922 0.068 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -6.570 -6.302 -1.412 1.00 0.00 C ATOM 0 H LEU A 88 -8.011 -9.414 -4.538 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.748 -7.578 -3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.429 -9.051 -2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.927 -8.440 -2.733 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.685 -6.523 -1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.683 -7.210 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.686 -8.500 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.913 -8.595 0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.500 -5.612 -0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.683 -6.935 -1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.639 -5.736 -2.341 1.00 0.00 H new ATOM 1287 N VAL A 89 -7.134 -6.183 -4.822 1.00 0.00 N ATOM 1288 CA VAL A 89 -6.567 -4.910 -5.250 1.00 0.00 C ATOM 1289 C VAL A 89 -7.322 -4.348 -6.449 1.00 0.00 C ATOM 1290 O VAL A 89 -7.706 -3.179 -6.459 1.00 0.00 O ATOM 1291 CB VAL A 89 -5.077 -5.055 -5.616 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -4.482 -3.701 -5.973 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -4.308 -5.701 -4.475 1.00 0.00 C ATOM 0 H VAL A 89 -6.653 -7.004 -5.190 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.662 -4.222 -4.410 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.996 -5.703 -6.489 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.429 -3.822 -6.229 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.017 -3.282 -6.825 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.573 -3.027 -5.121 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.258 -5.795 -4.751 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.394 -5.082 -3.582 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.720 -6.690 -4.272 1.00 0.00 H new ATOM 1303 N GLU A 90 -7.533 -5.189 -7.456 1.00 0.00 N ATOM 1304 CA GLU A 90 -8.242 -4.774 -8.661 1.00 0.00 C ATOM 1305 C GLU A 90 -9.536 -4.048 -8.307 1.00 0.00 C ATOM 1306 O GLU A 90 -9.846 -2.998 -8.870 1.00 0.00 O ATOM 1307 CB GLU A 90 -8.549 -5.987 -9.541 1.00 0.00 C ATOM 1308 CG GLU A 90 -7.461 -6.295 -10.555 1.00 0.00 C ATOM 1309 CD GLU A 90 -7.799 -7.485 -11.432 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -7.463 -8.623 -11.041 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -8.398 -7.279 -12.508 1.00 0.00 O ATOM 0 H GLU A 90 -7.224 -6.161 -7.462 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.600 -4.087 -9.212 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.697 -6.859 -8.904 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.487 -5.814 -10.069 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.298 -5.420 -11.184 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.525 -6.489 -10.030 1.00 0.00 H new ATOM 1318 N HIS A 91 -10.289 -4.616 -7.369 1.00 0.00 N ATOM 1319 CA HIS A 91 -11.550 -4.023 -6.939 1.00 0.00 C ATOM 1320 C HIS A 91 -11.334 -2.607 -6.414 1.00 0.00 C ATOM 1321 O HIS A 91 -12.195 -1.739 -6.565 1.00 0.00 O ATOM 1322 CB HIS A 91 -12.203 -4.887 -5.859 1.00 0.00 C ATOM 1323 CG HIS A 91 -13.606 -4.481 -5.534 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -13.932 -3.706 -4.441 1.00 0.00 N ATOM 1325 CD2 HIS A 91 -14.774 -4.745 -6.167 1.00 0.00 C ATOM 1326 CE1 HIS A 91 -15.239 -3.514 -4.414 1.00 0.00 C ATOM 1327 NE2 HIS A 91 -15.773 -4.133 -5.451 1.00 0.00 N ATOM 0 H HIS A 91 -10.047 -5.485 -6.893 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.213 -3.973 -7.803 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -12.201 -5.927 -6.187 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.600 -4.838 -4.952 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -14.897 -5.328 -7.068 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -15.779 -2.947 -3.670 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -16.766 -4.153 -5.682 1.00 0.00 H new ATOM 1336 N PHE A 92 -10.181 -2.381 -5.794 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.852 -1.071 -5.244 1.00 0.00 C ATOM 1338 C PHE A 92 -9.240 -0.170 -6.313 1.00 0.00 C ATOM 1339 O PHE A 92 -9.337 1.055 -6.239 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.884 -1.216 -4.068 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.498 -1.870 -2.863 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.759 -1.499 -2.424 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.815 -2.855 -2.169 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -11.327 -2.098 -1.316 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.379 -3.459 -1.060 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.635 -3.078 -0.633 1.00 0.00 C ATOM 0 H PHE A 92 -9.458 -3.088 -5.660 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.775 -0.611 -4.891 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.021 -1.800 -4.388 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.515 -0.229 -3.788 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -11.304 -0.732 -2.954 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.831 -3.155 -2.498 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -12.311 -1.800 -0.985 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.837 -4.228 -0.529 1.00 0.00 H new ATOM 0 HZ PHE A 92 -11.076 -3.546 0.235 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.608 -0.786 -7.306 1.00 0.00 N ATOM 1357 CA LYS A 93 -7.980 -0.042 -8.392 1.00 0.00 C ATOM 1358 C LYS A 93 -9.012 0.780 -9.156 1.00 0.00 C ATOM 1359 O LYS A 93 -8.675 1.774 -9.800 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.266 -1.001 -9.348 1.00 0.00 C ATOM 1361 CG LYS A 93 -5.970 -1.563 -8.790 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.355 -2.585 -9.732 1.00 0.00 C ATOM 1363 CE LYS A 93 -4.431 -1.924 -10.744 1.00 0.00 C ATOM 1364 NZ LYS A 93 -3.464 -2.895 -11.328 1.00 0.00 N ATOM 0 H LYS A 93 -8.517 -1.799 -7.381 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.249 0.639 -7.957 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.936 -1.826 -9.589 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.054 -0.479 -10.281 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.263 -0.751 -8.621 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.160 -2.027 -7.822 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.797 -3.323 -9.156 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.146 -3.121 -10.256 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.025 -1.479 -11.542 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.885 -1.113 -10.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.852 -2.407 -12.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.880 -3.302 -10.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.984 -3.656 -11.810 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.270 0.361 -9.079 1.00 0.00 N ATOM 1379 CA LYS A 94 -11.353 1.060 -9.761 1.00 0.00 C ATOM 1380 C LYS A 94 -12.172 1.888 -8.776 1.00 0.00 C ATOM 1381 O LYS A 94 -12.479 3.053 -9.031 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.260 0.060 -10.481 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.445 -1.245 -9.728 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.337 -2.210 -10.492 1.00 0.00 C ATOM 1385 CE LYS A 94 -13.762 -3.383 -9.624 1.00 0.00 C ATOM 1386 NZ LYS A 94 -15.034 -3.994 -10.100 1.00 0.00 N ATOM 0 H LYS A 94 -10.565 -0.460 -8.551 1.00 0.00 H new ATOM 0 HA LYS A 94 -10.911 1.734 -10.495 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.236 0.518 -10.642 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.842 -0.154 -11.465 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.473 -1.707 -9.555 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -12.881 -1.043 -8.750 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.221 -1.683 -10.851 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.807 -2.579 -11.370 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.975 -4.137 -9.623 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.884 -3.047 -8.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.289 -4.790 -9.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -15.791 -3.281 -10.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -14.911 -4.338 -11.074 1.00 0.00 H new ATOM 1400 N THR A 95 -12.524 1.279 -7.647 1.00 0.00 N ATOM 1401 CA THR A 95 -13.307 1.958 -6.624 1.00 0.00 C ATOM 1402 C THR A 95 -12.408 2.735 -5.668 1.00 0.00 C ATOM 1403 O THR A 95 -12.660 3.902 -5.374 1.00 0.00 O ATOM 1404 CB THR A 95 -14.160 0.963 -5.815 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.310 0.058 -5.100 1.00 0.00 O ATOM 1406 CG2 THR A 95 -15.089 0.178 -6.728 1.00 0.00 C ATOM 0 H THR A 95 -12.278 0.316 -7.419 1.00 0.00 H new ATOM 0 HA THR A 95 -13.968 2.653 -7.142 1.00 0.00 H new ATOM 0 HB THR A 95 -14.765 1.530 -5.108 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.769 -0.455 -5.736 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.681 -0.518 -6.133 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.754 0.867 -7.249 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.499 -0.378 -7.456 1.00 0.00 H new ATOM 1414 N GLY A 96 -11.357 2.077 -5.187 1.00 0.00 N ATOM 1415 CA GLY A 96 -10.436 2.722 -4.269 1.00 0.00 C ATOM 1416 C GLY A 96 -10.664 2.304 -2.830 1.00 0.00 C ATOM 1417 O GLY A 96 -11.645 1.628 -2.521 1.00 0.00 O ATOM 0 H GLY A 96 -11.127 1.110 -5.416 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.413 2.481 -4.556 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.544 3.804 -4.351 1.00 0.00 H new ATOM 1421 N ILE A 97 -9.755 2.707 -1.947 1.00 0.00 N ATOM 1422 CA ILE A 97 -9.862 2.370 -0.534 1.00 0.00 C ATOM 1423 C ILE A 97 -10.240 3.592 0.296 1.00 0.00 C ATOM 1424 O ILE A 97 -9.673 4.671 0.123 1.00 0.00 O ATOM 1425 CB ILE A 97 -8.544 1.785 0.007 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.273 0.416 -0.621 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -8.596 1.677 1.524 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -6.863 -0.082 -0.398 1.00 0.00 C ATOM 0 H ILE A 97 -8.937 3.267 -2.186 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.647 1.618 -0.448 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.728 2.456 -0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.975 -0.309 -0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.465 0.472 -1.693 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.658 1.262 1.892 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.748 2.667 1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.420 1.025 1.814 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.743 -1.057 -0.870 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.155 0.623 -0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.673 -0.171 0.672 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.201 3.415 1.197 1.00 0.00 N ATOM 1441 CA GLU A 98 -11.655 4.504 2.055 1.00 0.00 C ATOM 1442 C GLU A 98 -11.127 4.333 3.476 1.00 0.00 C ATOM 1443 O GLU A 98 -11.428 3.345 4.146 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.183 4.569 2.069 1.00 0.00 C ATOM 1445 CG GLU A 98 -13.733 5.799 2.771 1.00 0.00 C ATOM 1446 CD GLU A 98 -15.237 5.742 2.956 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -15.711 4.865 3.707 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -15.941 6.576 2.346 1.00 0.00 O ATOM 0 H GLU A 98 -11.680 2.528 1.352 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.264 5.438 1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -13.548 4.553 1.042 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.572 3.677 2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -13.255 5.901 3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.475 6.687 2.195 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.339 5.302 3.929 1.00 0.00 N ATOM 1456 CA GLU A 99 -9.769 5.258 5.272 1.00 0.00 C ATOM 1457 C GLU A 99 -10.815 5.626 6.320 1.00 0.00 C ATOM 1458 O GLU A 99 -11.705 6.436 6.065 1.00 0.00 O ATOM 1459 CB GLU A 99 -8.573 6.207 5.373 1.00 0.00 C ATOM 1460 CG GLU A 99 -7.252 5.566 4.984 1.00 0.00 C ATOM 1461 CD GLU A 99 -6.098 6.550 5.005 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -5.745 7.026 6.103 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -5.549 6.843 3.921 1.00 0.00 O ATOM 0 H GLU A 99 -10.080 6.127 3.387 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.432 4.239 5.463 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.750 7.071 4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.500 6.578 6.395 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -7.036 4.744 5.667 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.341 5.137 3.986 1.00 0.00 H new ATOM 1470 N ALA A 100 -10.700 5.022 7.498 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.635 5.286 8.586 1.00 0.00 C ATOM 1472 C ALA A 100 -11.915 6.780 8.718 1.00 0.00 C ATOM 1473 O ALA A 100 -13.030 7.185 9.046 1.00 0.00 O ATOM 1474 CB ALA A 100 -11.092 4.732 9.894 1.00 0.00 C ATOM 0 H ALA A 100 -9.969 4.347 7.724 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.575 4.785 8.354 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -11.800 4.936 10.697 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -10.949 3.655 9.802 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.138 5.207 10.122 1.00 0.00 H new ATOM 1480 N SER A 101 -10.895 7.593 8.461 1.00 0.00 N ATOM 1481 CA SER A 101 -11.031 9.042 8.556 1.00 0.00 C ATOM 1482 C SER A 101 -11.853 9.589 7.393 1.00 0.00 C ATOM 1483 O SER A 101 -12.656 10.505 7.562 1.00 0.00 O ATOM 1484 CB SER A 101 -9.652 9.704 8.576 1.00 0.00 C ATOM 1485 OG SER A 101 -9.075 9.720 7.282 1.00 0.00 O ATOM 0 H SER A 101 -9.966 7.273 8.186 1.00 0.00 H new ATOM 0 HA SER A 101 -11.551 9.273 9.486 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.740 10.724 8.951 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.997 9.167 9.263 1.00 0.00 H new ATOM 0 HG SER A 101 -8.195 10.150 7.321 1.00 0.00 H new ATOM 1491 N GLY A 102 -11.646 9.018 6.210 1.00 0.00 N ATOM 1492 CA GLY A 102 -12.375 9.459 5.035 1.00 0.00 C ATOM 1493 C GLY A 102 -11.519 9.447 3.784 1.00 0.00 C ATOM 1494 O GLY A 102 -12.030 9.286 2.676 1.00 0.00 O ATOM 0 H GLY A 102 -10.986 8.258 6.045 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.241 8.814 4.885 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.753 10.467 5.203 1.00 0.00 H new ATOM 1498 N ALA A 103 -10.214 9.621 3.960 1.00 0.00 N ATOM 1499 CA ALA A 103 -9.285 9.629 2.836 1.00 0.00 C ATOM 1500 C ALA A 103 -9.627 8.532 1.834 1.00 0.00 C ATOM 1501 O ALA A 103 -10.251 7.529 2.184 1.00 0.00 O ATOM 1502 CB ALA A 103 -7.856 9.467 3.332 1.00 0.00 C ATOM 0 H ALA A 103 -9.775 9.758 4.871 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.375 10.589 2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.173 9.475 2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.609 10.289 4.004 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.761 8.521 3.865 1.00 0.00 H new ATOM 1508 N PHE A 104 -9.216 8.728 0.586 1.00 0.00 N ATOM 1509 CA PHE A 104 -9.480 7.756 -0.468 1.00 0.00 C ATOM 1510 C PHE A 104 -8.201 7.414 -1.226 1.00 0.00 C ATOM 1511 O PHE A 104 -7.655 8.246 -1.951 1.00 0.00 O ATOM 1512 CB PHE A 104 -10.533 8.297 -1.438 1.00 0.00 C ATOM 1513 CG PHE A 104 -11.945 8.061 -0.985 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -12.568 6.846 -1.223 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -12.648 9.052 -0.319 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -13.869 6.626 -0.807 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -13.948 8.837 0.100 1.00 0.00 C ATOM 1518 CZ PHE A 104 -14.559 7.622 -0.144 1.00 0.00 C ATOM 0 H PHE A 104 -8.698 9.552 0.280 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.859 6.846 -0.002 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -10.377 9.368 -1.571 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -10.390 7.831 -2.413 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -12.032 6.063 -1.739 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.175 10.003 -0.125 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -14.345 5.676 -1.001 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -14.485 9.618 0.617 1.00 0.00 H new ATOM 0 HZ PHE A 104 -15.574 7.451 0.183 1.00 0.00 H new ATOM 1528 N VAL A 105 -7.729 6.184 -1.053 1.00 0.00 N ATOM 1529 CA VAL A 105 -6.515 5.730 -1.721 1.00 0.00 C ATOM 1530 C VAL A 105 -6.831 5.117 -3.080 1.00 0.00 C ATOM 1531 O VAL A 105 -7.698 4.250 -3.196 1.00 0.00 O ATOM 1532 CB VAL A 105 -5.758 4.696 -0.867 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -4.424 4.345 -1.510 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -5.555 5.219 0.546 1.00 0.00 C ATOM 0 H VAL A 105 -8.169 5.484 -0.456 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.884 6.608 -1.860 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.358 3.788 -0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.904 3.613 -0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.597 3.926 -2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.815 5.244 -1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.019 4.476 1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.976 6.142 0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.524 5.415 1.004 1.00 0.00 H new ATOM 1544 N TYR A 106 -6.122 5.572 -4.108 1.00 0.00 N ATOM 1545 CA TYR A 106 -6.329 5.070 -5.461 1.00 0.00 C ATOM 1546 C TYR A 106 -5.076 4.369 -5.979 1.00 0.00 C ATOM 1547 O TYR A 106 -3.967 4.896 -5.873 1.00 0.00 O ATOM 1548 CB TYR A 106 -6.712 6.214 -6.400 1.00 0.00 C ATOM 1549 CG TYR A 106 -7.901 7.016 -5.923 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -8.949 6.406 -5.243 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -7.979 8.385 -6.152 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -10.037 7.135 -4.807 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -9.063 9.122 -5.718 1.00 0.00 C ATOM 1554 CZ TYR A 106 -10.091 8.492 -5.046 1.00 0.00 C ATOM 1555 OH TYR A 106 -11.174 9.221 -4.612 1.00 0.00 O ATOM 0 H TYR A 106 -5.399 6.287 -4.030 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.143 4.346 -5.432 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -5.857 6.880 -6.515 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -6.932 5.805 -7.386 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.911 5.344 -5.053 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -7.177 8.881 -6.679 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -10.843 6.645 -4.281 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.106 10.185 -5.903 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.055 10.162 -4.860 1.00 0.00 H new ATOM 1565 N LEU A 107 -5.260 3.179 -6.540 1.00 0.00 N ATOM 1566 CA LEU A 107 -4.147 2.405 -7.077 1.00 0.00 C ATOM 1567 C LEU A 107 -4.251 2.281 -8.593 1.00 0.00 C ATOM 1568 O LEU A 107 -5.073 1.524 -9.109 1.00 0.00 O ATOM 1569 CB LEU A 107 -4.114 1.014 -6.440 1.00 0.00 C ATOM 1570 CG LEU A 107 -4.637 0.919 -5.006 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.136 0.660 -5.001 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -3.902 -0.173 -4.243 1.00 0.00 C ATOM 0 H LEU A 107 -6.170 2.729 -6.635 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.222 2.930 -6.837 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.698 0.337 -7.064 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.085 0.654 -6.455 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.452 1.870 -4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.491 0.595 -3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.648 1.476 -5.511 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.345 -0.277 -5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.286 -0.227 -3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.056 -1.131 -4.740 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.837 0.055 -4.217 1.00 0.00 H new ATOM 1584 N ARG A 108 -3.409 3.029 -9.301 1.00 0.00 N ATOM 1585 CA ARG A 108 -3.406 3.002 -10.758 1.00 0.00 C ATOM 1586 C ARG A 108 -1.998 2.756 -11.294 1.00 0.00 C ATOM 1587 O ARG A 108 -1.823 2.171 -12.362 1.00 0.00 O ATOM 1588 CB ARG A 108 -3.953 4.317 -11.316 1.00 0.00 C ATOM 1589 CG ARG A 108 -5.075 4.912 -10.480 1.00 0.00 C ATOM 1590 CD ARG A 108 -5.726 6.093 -11.184 1.00 0.00 C ATOM 1591 NE ARG A 108 -6.347 5.704 -12.447 1.00 0.00 N ATOM 1592 CZ ARG A 108 -6.746 6.573 -13.368 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -6.590 7.875 -13.167 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -7.302 6.142 -14.493 1.00 0.00 N ATOM 0 H ARG A 108 -2.722 3.660 -8.889 1.00 0.00 H new ATOM 0 HA ARG A 108 -4.048 2.183 -11.082 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -3.140 5.039 -11.385 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -4.316 4.149 -12.330 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -5.826 4.148 -10.279 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.681 5.233 -9.516 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.479 6.534 -10.531 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.976 6.862 -11.371 1.00 0.00 H new ATOM 0 HE ARG A 108 -6.482 4.710 -12.632 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -6.163 8.210 -12.304 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -6.897 8.541 -13.876 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.423 5.142 -14.651 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.608 6.811 -15.200 1.00 0.00 H new ATOM 1608 N GLN A 109 -0.998 3.210 -10.545 1.00 0.00 N ATOM 1609 CA GLN A 109 0.393 3.041 -10.945 1.00 0.00 C ATOM 1610 C GLN A 109 1.077 1.969 -10.102 1.00 0.00 C ATOM 1611 O GLN A 109 1.447 2.194 -8.949 1.00 0.00 O ATOM 1612 CB GLN A 109 1.148 4.366 -10.816 1.00 0.00 C ATOM 1613 CG GLN A 109 1.084 5.226 -12.067 1.00 0.00 C ATOM 1614 CD GLN A 109 1.145 6.710 -11.759 1.00 0.00 C ATOM 1615 OE1 GLN A 109 1.917 7.450 -12.367 1.00 0.00 O ATOM 1616 NE2 GLN A 109 0.328 7.151 -10.809 1.00 0.00 N ATOM 0 H GLN A 109 -1.126 3.697 -9.658 1.00 0.00 H new ATOM 0 HA GLN A 109 0.408 2.722 -11.987 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.738 4.928 -9.977 1.00 0.00 H new ATOM 0 HB3 GLN A 109 2.192 4.159 -10.581 1.00 0.00 H new ATOM 0 HG2 GLN A 109 1.910 4.962 -12.728 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.162 5.008 -12.606 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.296 6.501 -10.331 1.00 0.00 H new ATOM 0 HE22 GLN A 109 0.324 8.140 -10.558 1.00 0.00 H new ATOM 1625 N PRO A 110 1.246 0.774 -10.687 1.00 0.00 N ATOM 1626 CA PRO A 110 1.885 -0.357 -10.008 1.00 0.00 C ATOM 1627 C PRO A 110 3.380 -0.137 -9.797 1.00 0.00 C ATOM 1628 O PRO A 110 4.143 -0.038 -10.758 1.00 0.00 O ATOM 1629 CB PRO A 110 1.646 -1.526 -10.965 1.00 0.00 C ATOM 1630 CG PRO A 110 1.486 -0.895 -12.304 1.00 0.00 C ATOM 1631 CD PRO A 110 0.829 0.435 -12.058 1.00 0.00 C ATOM 0 HA PRO A 110 1.478 -0.516 -9.010 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.483 -2.224 -10.954 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.757 -2.091 -10.685 1.00 0.00 H new ATOM 0 HG2 PRO A 110 2.451 -0.769 -12.794 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.875 -1.517 -12.958 1.00 0.00 H new ATOM 0 HD2 PRO A 110 1.160 1.185 -12.776 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.256 0.369 -12.143 1.00 0.00 H new ATOM 1639 N TYR A 111 3.791 -0.063 -8.536 1.00 0.00 N ATOM 1640 CA TYR A 111 5.194 0.146 -8.201 1.00 0.00 C ATOM 1641 C TYR A 111 5.932 -1.184 -8.091 1.00 0.00 C ATOM 1642 O TYR A 111 5.691 -1.968 -7.173 1.00 0.00 O ATOM 1643 CB TYR A 111 5.316 0.920 -6.887 1.00 0.00 C ATOM 1644 CG TYR A 111 6.622 1.668 -6.743 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.823 2.885 -7.384 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.656 1.157 -5.969 1.00 0.00 C ATOM 1647 CE1 TYR A 111 8.014 3.571 -7.256 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.850 1.837 -5.834 1.00 0.00 C ATOM 1649 CZ TYR A 111 9.025 3.044 -6.480 1.00 0.00 C ATOM 1650 OH TYR A 111 10.214 3.724 -6.349 1.00 0.00 O ATOM 0 H TYR A 111 3.172 -0.145 -7.729 1.00 0.00 H new ATOM 0 HA TYR A 111 5.650 0.728 -9.002 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.491 1.629 -6.815 1.00 0.00 H new ATOM 0 HB3 TYR A 111 5.212 0.224 -6.054 1.00 0.00 H new ATOM 0 HD1 TYR A 111 6.034 3.301 -7.993 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.524 0.211 -5.464 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.153 4.515 -7.761 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.643 1.427 -5.226 1.00 0.00 H new ATOM 0 HH TYR A 111 10.034 4.684 -6.265 1.00 0.00 H new ATOM 1660 N TYR A 112 6.833 -1.432 -9.035 1.00 0.00 N ATOM 1661 CA TYR A 112 7.608 -2.668 -9.047 1.00 0.00 C ATOM 1662 C TYR A 112 9.102 -2.375 -8.962 1.00 0.00 C ATOM 1663 O TYR A 112 9.912 -3.028 -9.619 1.00 0.00 O ATOM 1664 CB TYR A 112 7.305 -3.470 -10.313 1.00 0.00 C ATOM 1665 CG TYR A 112 6.805 -2.624 -11.462 1.00 0.00 C ATOM 1666 CD1 TYR A 112 7.461 -1.456 -11.827 1.00 0.00 C ATOM 1667 CD2 TYR A 112 5.677 -2.995 -12.183 1.00 0.00 C ATOM 1668 CE1 TYR A 112 7.007 -0.679 -12.876 1.00 0.00 C ATOM 1669 CE2 TYR A 112 5.216 -2.226 -13.235 1.00 0.00 C ATOM 1670 CZ TYR A 112 5.884 -1.068 -13.577 1.00 0.00 C ATOM 1671 OH TYR A 112 5.430 -0.299 -14.622 1.00 0.00 O ATOM 0 H TYR A 112 7.045 -0.794 -9.802 1.00 0.00 H new ATOM 0 HA TYR A 112 7.322 -3.256 -8.175 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.208 -3.994 -10.625 1.00 0.00 H new ATOM 0 HB3 TYR A 112 6.559 -4.230 -10.081 1.00 0.00 H new ATOM 0 HD1 TYR A 112 8.341 -1.149 -11.282 1.00 0.00 H new ATOM 0 HD2 TYR A 112 5.151 -3.900 -11.917 1.00 0.00 H new ATOM 0 HE1 TYR A 112 7.528 0.228 -13.146 1.00 0.00 H new ATOM 0 HE2 TYR A 112 4.338 -2.530 -13.786 1.00 0.00 H new ATOM 0 HH TYR A 112 4.631 -0.713 -15.010 1.00 0.00 H new ATOM 1871 N ALA B 9 -2.457 2.876 8.164 1.00 0.00 N ATOM 1872 CA ALA B 9 -3.711 3.619 8.114 1.00 0.00 C ATOM 1873 C ALA B 9 -4.908 2.686 8.263 1.00 0.00 C ATOM 1874 O ALA B 9 -4.963 1.629 7.635 1.00 0.00 O ATOM 1875 CB ALA B 9 -3.809 4.403 6.815 1.00 0.00 C ATOM 0 HA ALA B 9 -3.723 4.319 8.949 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -4.750 4.953 6.792 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.977 5.105 6.750 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -3.770 3.715 5.971 1.00 0.00 H new ATOM 1881 N GLU B 10 -5.863 3.084 9.097 1.00 0.00 N ATOM 1882 CA GLU B 10 -7.058 2.281 9.328 1.00 0.00 C ATOM 1883 C GLU B 10 -8.092 2.515 8.230 1.00 0.00 C ATOM 1884 O GLU B 10 -8.175 3.606 7.662 1.00 0.00 O ATOM 1885 CB GLU B 10 -7.664 2.608 10.694 1.00 0.00 C ATOM 1886 CG GLU B 10 -8.749 1.637 11.128 1.00 0.00 C ATOM 1887 CD GLU B 10 -9.227 1.891 12.544 1.00 0.00 C ATOM 1888 OE1 GLU B 10 -8.416 1.739 13.481 1.00 0.00 O ATOM 1889 OE2 GLU B 10 -10.414 2.241 12.715 1.00 0.00 O ATOM 0 H GLU B 10 -5.833 3.957 9.624 1.00 0.00 H new ATOM 0 HA GLU B 10 -6.767 1.231 9.311 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -6.871 2.612 11.442 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -8.080 3.615 10.666 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -9.594 1.713 10.444 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -8.370 0.618 11.054 1.00 0.00 H new ATOM 1896 N LEU B 11 -8.880 1.486 7.938 1.00 0.00 N ATOM 1897 CA LEU B 11 -9.909 1.579 6.908 1.00 0.00 C ATOM 1898 C LEU B 11 -11.270 1.172 7.461 1.00 0.00 C ATOM 1899 O LEU B 11 -11.362 0.575 8.533 1.00 0.00 O ATOM 1900 CB LEU B 11 -9.545 0.696 5.713 1.00 0.00 C ATOM 1901 CG LEU B 11 -8.100 0.792 5.223 1.00 0.00 C ATOM 1902 CD1 LEU B 11 -7.828 -0.254 4.153 1.00 0.00 C ATOM 1903 CD2 LEU B 11 -7.807 2.187 4.693 1.00 0.00 C ATOM 0 H LEU B 11 -8.826 0.578 8.400 1.00 0.00 H new ATOM 0 HA LEU B 11 -9.967 2.617 6.579 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -9.750 -0.341 5.978 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -10.206 0.950 4.884 1.00 0.00 H new ATOM 0 HG LEU B 11 -7.438 0.600 6.067 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -6.795 -0.170 3.817 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -7.996 -1.249 4.566 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -8.499 -0.094 3.309 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -6.774 2.236 4.349 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -8.477 2.409 3.862 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -7.960 2.918 5.487 1.00 0.00 H new ATOM 1915 N ASN B 12 -12.326 1.496 6.720 1.00 0.00 N ATOM 1916 CA ASN B 12 -13.683 1.161 7.135 1.00 0.00 C ATOM 1917 C ASN B 12 -14.210 -0.040 6.356 1.00 0.00 C ATOM 1918 O ASN B 12 -13.949 -0.182 5.161 1.00 0.00 O ATOM 1919 CB ASN B 12 -14.610 2.361 6.933 1.00 0.00 C ATOM 1920 CG ASN B 12 -16.050 2.045 7.290 1.00 0.00 C ATOM 1921 OD1 ASN B 12 -16.392 1.899 8.463 1.00 0.00 O ATOM 1922 ND2 ASN B 12 -16.901 1.938 6.276 1.00 0.00 N ATOM 0 H ASN B 12 -12.267 1.990 5.830 1.00 0.00 H new ATOM 0 HA ASN B 12 -13.659 0.902 8.194 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -14.261 3.193 7.544 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.559 2.685 5.894 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -17.883 1.727 6.454 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -16.573 2.067 5.319 1.00 0.00 H new