USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 907 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 103 GLN :FLIP amide:sc= -2.09! F(o=-12,f=-10!) USER MOD Set 1.2: A 104 GLN : amide:sc= -8.1! C(o=-10!,f=-11!) USER MOD Set 2.1: A 62 THR OG1 : rot 180:sc= 1.09 USER MOD Set 2.2: A 64 THR OG1 : rot -68:sc= 1.16 USER MOD Set 3.1: A 35 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 41 LYS NZ :NH3+ 149:sc= 0.627 (180deg=-0.434) USER MOD Single : A 8 SER OG : rot 173:sc= -0.988 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 172:sc= -0.0095 (180deg=-0.123) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.219 USER MOD Single : A 29 SER OG : rot -3:sc= 1.06 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 145:sc= 0.592 (180deg=-0.223) USER MOD Single : A 37 SER OG : rot 8:sc= 1.12 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.145 X(o=-0.14,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 147:sc= -4.61! (180deg=-8.19!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -1.29 X(o=-1.3,f=-0.93) USER MOD Single : A 63 GLN : amide:sc= -0.0101 X(o=-0.01,f=-0.0017) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.0362 X(o=-0.036,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -5.2 X(o=-5.2,f=-5.5!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN :FLIP amide:sc= 0.00511 F(o=-0.73,f=0.0051) USER MOD Single : A 98 ASN : amide:sc= -0.652 X(o=-0.65,f=-0.19) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 92:sc= 0.0566 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 101:sc= 1.2 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 14 N ARG A 2 6.821 4.211 -13.206 1.00 0.00 N ATOM 15 CA ARG A 2 7.182 4.404 -11.807 1.00 0.00 C ATOM 16 C ARG A 2 6.722 3.220 -10.961 1.00 0.00 C ATOM 17 O ARG A 2 6.187 2.244 -11.485 1.00 0.00 O ATOM 18 CB ARG A 2 6.571 5.704 -11.273 1.00 0.00 C ATOM 19 CG ARG A 2 5.123 5.919 -11.688 1.00 0.00 C ATOM 20 CD ARG A 2 5.023 6.643 -13.020 1.00 0.00 C ATOM 21 NE ARG A 2 5.535 8.010 -12.941 1.00 0.00 N ATOM 22 CZ ARG A 2 5.227 8.968 -13.811 1.00 0.00 C ATOM 23 NH1 ARG A 2 4.415 8.716 -14.829 1.00 0.00 N ATOM 24 NH2 ARG A 2 5.733 10.186 -13.661 1.00 0.00 N ATOM 0 HA ARG A 2 8.268 4.473 -11.742 1.00 0.00 H new ATOM 0 HB2 ARG A 2 6.631 5.702 -10.185 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.168 6.546 -11.623 1.00 0.00 H new ATOM 0 HG2 ARG A 2 4.617 4.956 -11.758 1.00 0.00 H new ATOM 0 HG3 ARG A 2 4.606 6.495 -10.921 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.581 6.090 -13.776 1.00 0.00 H new ATOM 0 HD3 ARG A 2 3.982 6.664 -13.344 1.00 0.00 H new ATOM 0 HE ARG A 2 6.165 8.243 -12.174 1.00 0.00 H new ATOM 0 HH11 ARG A 2 4.022 7.782 -14.949 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.183 9.456 -15.492 1.00 0.00 H new ATOM 0 HH21 ARG A 2 6.357 10.386 -12.879 1.00 0.00 H new ATOM 0 HH22 ARG A 2 5.498 10.922 -14.327 1.00 0.00 H new ATOM 38 N LEU A 3 6.934 3.313 -9.649 1.00 0.00 N ATOM 39 CA LEU A 3 6.540 2.248 -8.726 1.00 0.00 C ATOM 40 C LEU A 3 5.119 1.778 -9.005 1.00 0.00 C ATOM 41 O LEU A 3 4.154 2.371 -8.526 1.00 0.00 O ATOM 42 CB LEU A 3 6.644 2.739 -7.282 1.00 0.00 C ATOM 43 CG LEU A 3 6.756 1.639 -6.226 1.00 0.00 C ATOM 44 CD1 LEU A 3 8.012 0.809 -6.447 1.00 0.00 C ATOM 45 CD2 LEU A 3 6.747 2.245 -4.828 1.00 0.00 C ATOM 0 H LEU A 3 7.377 4.115 -9.200 1.00 0.00 H new ATOM 0 HA LEU A 3 7.217 1.407 -8.874 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.514 3.390 -7.199 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.768 3.347 -7.058 1.00 0.00 H new ATOM 0 HG LEU A 3 5.894 0.979 -6.320 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.073 0.032 -5.685 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.974 0.348 -7.434 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.890 1.452 -6.380 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.827 1.450 -4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.591 2.927 -4.722 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.817 2.792 -4.674 1.00 0.00 H new ATOM 57 N GLU A 4 4.992 0.711 -9.784 1.00 0.00 N ATOM 58 CA GLU A 4 3.682 0.174 -10.122 1.00 0.00 C ATOM 59 C GLU A 4 3.675 -1.349 -10.062 1.00 0.00 C ATOM 60 O GLU A 4 4.727 -1.990 -10.060 1.00 0.00 O ATOM 61 CB GLU A 4 3.270 0.642 -11.520 1.00 0.00 C ATOM 62 CG GLU A 4 4.059 -0.012 -12.643 1.00 0.00 C ATOM 63 CD GLU A 4 3.603 0.439 -14.017 1.00 0.00 C ATOM 64 OE1 GLU A 4 3.027 1.543 -14.119 1.00 0.00 O ATOM 65 OE2 GLU A 4 3.820 -0.313 -14.991 1.00 0.00 O ATOM 0 H GLU A 4 5.777 0.203 -10.192 1.00 0.00 H new ATOM 0 HA GLU A 4 2.966 0.545 -9.388 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.210 0.434 -11.665 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.395 1.723 -11.583 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.117 0.220 -12.521 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.960 -1.095 -12.569 1.00 0.00 H new ATOM 72 N GLY A 5 2.479 -1.918 -10.013 1.00 0.00 N ATOM 73 CA GLY A 5 2.337 -3.359 -9.952 1.00 0.00 C ATOM 74 C GLY A 5 1.067 -3.768 -9.242 1.00 0.00 C ATOM 75 O GLY A 5 0.111 -2.997 -9.184 1.00 0.00 O ATOM 0 H GLY A 5 1.598 -1.403 -10.014 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.336 -3.767 -10.963 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.196 -3.787 -9.436 1.00 0.00 H new ATOM 79 N TRP A 6 1.053 -4.974 -8.690 1.00 0.00 N ATOM 80 CA TRP A 6 -0.119 -5.458 -7.974 1.00 0.00 C ATOM 81 C TRP A 6 0.213 -5.754 -6.522 1.00 0.00 C ATOM 82 O TRP A 6 1.097 -6.556 -6.226 1.00 0.00 O ATOM 83 CB TRP A 6 -0.684 -6.710 -8.635 1.00 0.00 C ATOM 84 CG TRP A 6 -0.904 -6.537 -10.096 1.00 0.00 C ATOM 85 CD1 TRP A 6 0.050 -6.562 -11.057 1.00 0.00 C ATOM 86 CD2 TRP A 6 -2.148 -6.304 -10.762 1.00 0.00 C ATOM 87 NE1 TRP A 6 -0.514 -6.349 -12.288 1.00 0.00 N ATOM 88 CE2 TRP A 6 -1.866 -6.192 -12.136 1.00 0.00 C ATOM 89 CE3 TRP A 6 -3.471 -6.177 -10.332 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.860 -5.961 -13.083 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -4.457 -5.950 -11.274 1.00 0.00 C ATOM 92 CH2 TRP A 6 -4.148 -5.844 -12.635 1.00 0.00 C ATOM 0 H TRP A 6 1.833 -5.630 -8.724 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.871 -4.670 -8.010 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -0.000 -7.543 -8.471 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -1.628 -6.973 -8.158 1.00 0.00 H new ATOM 0 HD1 TRP A 6 1.103 -6.726 -10.879 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -0.009 -6.313 -13.173 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.719 -6.255 -9.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.623 -5.877 -14.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.484 -5.853 -10.954 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.942 -5.666 -13.346 1.00 0.00 H new ATOM 103 N LEU A 7 -0.519 -5.119 -5.622 1.00 0.00 N ATOM 104 CA LEU A 7 -0.325 -5.330 -4.200 1.00 0.00 C ATOM 105 C LEU A 7 -1.614 -5.849 -3.599 1.00 0.00 C ATOM 106 O LEU A 7 -2.700 -5.523 -4.071 1.00 0.00 O ATOM 107 CB LEU A 7 0.106 -4.045 -3.508 1.00 0.00 C ATOM 108 CG LEU A 7 1.474 -3.510 -3.931 1.00 0.00 C ATOM 109 CD1 LEU A 7 1.597 -2.039 -3.577 1.00 0.00 C ATOM 110 CD2 LEU A 7 2.586 -4.313 -3.273 1.00 0.00 C ATOM 0 H LEU A 7 -1.255 -4.452 -5.853 1.00 0.00 H new ATOM 0 HA LEU A 7 0.469 -6.062 -4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.643 -3.277 -3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.117 -4.216 -2.432 1.00 0.00 H new ATOM 0 HG LEU A 7 1.569 -3.615 -5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.576 -1.672 -3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.820 -1.475 -4.092 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.484 -1.913 -2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.553 -3.919 -3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.496 -4.238 -2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.506 -5.358 -3.573 1.00 0.00 H new ATOM 122 N SER A 8 -1.493 -6.673 -2.578 1.00 0.00 N ATOM 123 CA SER A 8 -2.662 -7.267 -1.949 1.00 0.00 C ATOM 124 C SER A 8 -3.191 -6.408 -0.810 1.00 0.00 C ATOM 125 O SER A 8 -2.429 -5.905 0.017 1.00 0.00 O ATOM 126 CB SER A 8 -2.331 -8.671 -1.438 1.00 0.00 C ATOM 127 OG SER A 8 -2.938 -9.663 -2.247 1.00 0.00 O ATOM 0 H SER A 8 -0.602 -6.948 -2.165 1.00 0.00 H new ATOM 0 HA SER A 8 -3.444 -7.332 -2.705 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.250 -8.814 -1.431 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.673 -8.777 -0.409 1.00 0.00 H new ATOM 0 HG SER A 8 -2.622 -10.549 -1.971 1.00 0.00 H new ATOM 133 N LEU A 9 -4.509 -6.254 -0.778 1.00 0.00 N ATOM 134 CA LEU A 9 -5.171 -5.466 0.251 1.00 0.00 C ATOM 135 C LEU A 9 -6.161 -6.332 1.022 1.00 0.00 C ATOM 136 O LEU A 9 -6.637 -7.345 0.511 1.00 0.00 O ATOM 137 CB LEU A 9 -5.892 -4.273 -0.380 1.00 0.00 C ATOM 138 CG LEU A 9 -4.981 -3.277 -1.103 1.00 0.00 C ATOM 139 CD1 LEU A 9 -5.054 -3.482 -2.609 1.00 0.00 C ATOM 140 CD2 LEU A 9 -5.358 -1.848 -0.740 1.00 0.00 C ATOM 0 H LEU A 9 -5.144 -6.669 -1.460 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.418 -5.093 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.631 -4.647 -1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.438 -3.743 0.400 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.955 -3.454 -0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.400 -2.765 -3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.735 -4.495 -2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.079 -3.333 -2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.700 -1.154 -1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.391 -1.659 -1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.253 -1.706 0.336 1.00 0.00 H new ATOM 152 N PRO A 10 -6.485 -5.951 2.268 1.00 0.00 N ATOM 153 CA PRO A 10 -7.420 -6.711 3.102 1.00 0.00 C ATOM 154 C PRO A 10 -8.808 -6.811 2.480 1.00 0.00 C ATOM 155 O PRO A 10 -9.580 -5.854 2.495 1.00 0.00 O ATOM 156 CB PRO A 10 -7.474 -5.916 4.412 1.00 0.00 C ATOM 157 CG PRO A 10 -6.962 -4.559 4.068 1.00 0.00 C ATOM 158 CD PRO A 10 -5.965 -4.762 2.964 1.00 0.00 C ATOM 0 HA PRO A 10 -7.093 -7.743 3.232 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.491 -5.866 4.800 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.861 -6.384 5.182 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.773 -3.906 3.746 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.496 -4.087 4.933 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.912 -3.897 2.303 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -4.960 -4.928 3.352 1.00 0.00 H new ATOM 166 N VAL A 11 -9.118 -7.985 1.935 1.00 0.00 N ATOM 167 CA VAL A 11 -10.412 -8.223 1.308 1.00 0.00 C ATOM 168 C VAL A 11 -11.423 -8.730 2.337 1.00 0.00 C ATOM 169 O VAL A 11 -11.097 -8.879 3.512 1.00 0.00 O ATOM 170 CB VAL A 11 -10.282 -9.231 0.140 1.00 0.00 C ATOM 171 CG1 VAL A 11 -10.293 -10.671 0.638 1.00 0.00 C ATOM 172 CG2 VAL A 11 -11.376 -9.005 -0.892 1.00 0.00 C ATOM 0 H VAL A 11 -8.488 -8.787 1.916 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.771 -7.276 0.905 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.318 -9.058 -0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.200 -11.350 -0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.458 -10.826 1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -11.229 -10.868 1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.265 -9.724 -1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.351 -9.135 -0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.297 -7.994 -1.291 1.00 0.00 H new ATOM 319 N TRP A 20 -6.805 -11.578 0.806 1.00 0.00 N ATOM 320 CA TRP A 20 -5.957 -10.652 0.067 1.00 0.00 C ATOM 321 C TRP A 20 -6.344 -10.603 -1.406 1.00 0.00 C ATOM 322 O TRP A 20 -6.784 -11.596 -1.983 1.00 0.00 O ATOM 323 CB TRP A 20 -4.485 -11.046 0.190 1.00 0.00 C ATOM 324 CG TRP A 20 -3.990 -11.098 1.603 1.00 0.00 C ATOM 325 CD1 TRP A 20 -3.523 -12.194 2.270 1.00 0.00 C ATOM 326 CD2 TRP A 20 -3.904 -10.002 2.522 1.00 0.00 C ATOM 327 NE1 TRP A 20 -3.152 -11.847 3.548 1.00 0.00 N ATOM 328 CE2 TRP A 20 -3.378 -10.507 3.726 1.00 0.00 C ATOM 329 CE3 TRP A 20 -4.220 -8.644 2.442 1.00 0.00 C ATOM 330 CZ2 TRP A 20 -3.163 -9.700 4.840 1.00 0.00 C ATOM 331 CZ3 TRP A 20 -4.007 -7.843 3.549 1.00 0.00 C ATOM 332 CH2 TRP A 20 -3.482 -8.374 4.734 1.00 0.00 C ATOM 0 HA TRP A 20 -6.103 -9.663 0.502 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.340 -12.022 -0.272 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.880 -10.334 -0.371 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.455 -13.189 1.855 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -2.771 -12.483 4.249 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -4.624 -8.227 1.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.759 -10.106 5.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -4.249 -6.792 3.499 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.326 -7.723 5.582 1.00 0.00 H new ATOM 343 N VAL A 21 -6.157 -9.435 -2.009 1.00 0.00 N ATOM 344 CA VAL A 21 -6.463 -9.233 -3.420 1.00 0.00 C ATOM 345 C VAL A 21 -5.498 -8.221 -4.021 1.00 0.00 C ATOM 346 O VAL A 21 -5.497 -7.053 -3.630 1.00 0.00 O ATOM 347 CB VAL A 21 -7.910 -8.740 -3.619 1.00 0.00 C ATOM 348 CG1 VAL A 21 -8.126 -7.412 -2.910 1.00 0.00 C ATOM 349 CG2 VAL A 21 -8.237 -8.622 -5.101 1.00 0.00 C ATOM 0 H VAL A 21 -5.792 -8.607 -1.538 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.355 -10.194 -3.924 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.586 -9.473 -3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.153 -7.081 -3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.939 -7.534 -1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.441 -6.667 -3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.263 -8.273 -5.221 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.555 -7.912 -5.569 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.128 -9.597 -5.576 1.00 0.00 H new ATOM 359 N LYS A 22 -4.658 -8.665 -4.953 1.00 0.00 N ATOM 360 CA LYS A 22 -3.688 -7.774 -5.559 1.00 0.00 C ATOM 361 C LYS A 22 -4.342 -6.802 -6.535 1.00 0.00 C ATOM 362 O LYS A 22 -4.814 -7.192 -7.603 1.00 0.00 O ATOM 363 CB LYS A 22 -2.590 -8.572 -6.265 1.00 0.00 C ATOM 364 CG LYS A 22 -3.044 -9.223 -7.554 1.00 0.00 C ATOM 365 CD LYS A 22 -2.015 -10.209 -8.064 1.00 0.00 C ATOM 366 CE LYS A 22 -1.588 -9.855 -9.474 1.00 0.00 C ATOM 367 NZ LYS A 22 -0.964 -11.009 -10.179 1.00 0.00 N ATOM 0 H LYS A 22 -4.633 -9.625 -5.298 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.241 -7.188 -4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.752 -7.909 -6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.222 -9.343 -5.589 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.992 -9.735 -7.391 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.221 -8.456 -8.308 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.147 -10.210 -7.405 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.430 -11.217 -8.046 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.455 -9.512 -10.039 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.881 -9.026 -9.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.688 -10.721 -11.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.122 -11.321 -9.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.647 -11.792 -10.235 1.00 0.00 H new ATOM 381 N LYS A 23 -4.338 -5.528 -6.170 1.00 0.00 N ATOM 382 CA LYS A 23 -4.896 -4.487 -7.018 1.00 0.00 C ATOM 383 C LYS A 23 -3.756 -3.732 -7.681 1.00 0.00 C ATOM 384 O LYS A 23 -2.661 -3.644 -7.126 1.00 0.00 O ATOM 385 CB LYS A 23 -5.763 -3.526 -6.206 1.00 0.00 C ATOM 386 CG LYS A 23 -7.001 -4.180 -5.613 1.00 0.00 C ATOM 387 CD LYS A 23 -8.172 -4.126 -6.582 1.00 0.00 C ATOM 388 CE LYS A 23 -9.097 -2.960 -6.274 1.00 0.00 C ATOM 389 NZ LYS A 23 -8.551 -1.671 -6.781 1.00 0.00 N ATOM 0 H LYS A 23 -3.952 -5.190 -5.288 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.530 -4.946 -7.777 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.164 -3.102 -5.400 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.070 -2.698 -6.845 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.782 -5.218 -5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.271 -3.677 -4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.798 -4.035 -7.602 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.732 -5.060 -6.530 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.073 -3.143 -6.723 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.249 -2.892 -5.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.267 -0.924 -6.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.701 -1.416 -6.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.303 -1.770 -7.786 1.00 0.00 H new ATOM 403 N TYR A 24 -3.998 -3.202 -8.869 1.00 0.00 N ATOM 404 CA TYR A 24 -2.958 -2.479 -9.580 1.00 0.00 C ATOM 405 C TYR A 24 -2.668 -1.137 -8.928 1.00 0.00 C ATOM 406 O TYR A 24 -3.387 -0.160 -9.133 1.00 0.00 O ATOM 407 CB TYR A 24 -3.325 -2.279 -11.046 1.00 0.00 C ATOM 408 CG TYR A 24 -2.122 -2.317 -11.964 1.00 0.00 C ATOM 409 CD1 TYR A 24 -1.141 -3.289 -11.811 1.00 0.00 C ATOM 410 CD2 TYR A 24 -1.963 -1.377 -12.972 1.00 0.00 C ATOM 411 CE1 TYR A 24 -0.035 -3.323 -12.636 1.00 0.00 C ATOM 412 CE2 TYR A 24 -0.859 -1.407 -13.804 1.00 0.00 C ATOM 413 CZ TYR A 24 0.101 -2.380 -13.631 1.00 0.00 C ATOM 414 OH TYR A 24 1.202 -2.410 -14.456 1.00 0.00 O ATOM 0 H TYR A 24 -4.893 -3.258 -9.355 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.055 -3.088 -9.529 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.031 -3.053 -11.348 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.833 -1.322 -11.161 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.246 -4.031 -11.033 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.712 -0.611 -13.109 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.719 -4.084 -12.502 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.750 -0.671 -14.586 1.00 0.00 H new ATOM 0 HH TYR A 24 1.145 -1.677 -15.104 1.00 0.00 H new ATOM 424 N VAL A 25 -1.594 -1.100 -8.151 1.00 0.00 N ATOM 425 CA VAL A 25 -1.179 0.117 -7.469 1.00 0.00 C ATOM 426 C VAL A 25 -0.043 0.785 -8.228 1.00 0.00 C ATOM 427 O VAL A 25 0.944 0.138 -8.579 1.00 0.00 O ATOM 428 CB VAL A 25 -0.714 -0.164 -6.026 1.00 0.00 C ATOM 429 CG1 VAL A 25 -0.534 1.137 -5.262 1.00 0.00 C ATOM 430 CG2 VAL A 25 -1.698 -1.078 -5.314 1.00 0.00 C ATOM 0 H VAL A 25 -0.991 -1.904 -7.977 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.047 0.775 -7.433 1.00 0.00 H new ATOM 0 HB VAL A 25 0.250 -0.671 -6.067 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.206 0.920 -4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.215 1.752 -5.762 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.482 1.674 -5.230 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.352 -1.264 -4.297 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.678 -0.603 -5.282 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.771 -2.024 -5.851 1.00 0.00 H new ATOM 440 N ILE A 26 -0.181 2.079 -8.477 1.00 0.00 N ATOM 441 CA ILE A 26 0.844 2.822 -9.193 1.00 0.00 C ATOM 442 C ILE A 26 1.106 4.164 -8.522 1.00 0.00 C ATOM 443 O ILE A 26 0.231 5.030 -8.479 1.00 0.00 O ATOM 444 CB ILE A 26 0.453 3.056 -10.669 1.00 0.00 C ATOM 445 CG1 ILE A 26 -0.251 1.822 -11.237 1.00 0.00 C ATOM 446 CG2 ILE A 26 1.682 3.393 -11.499 1.00 0.00 C ATOM 447 CD1 ILE A 26 -0.638 1.966 -12.693 1.00 0.00 C ATOM 0 H ILE A 26 -0.989 2.634 -8.195 1.00 0.00 H new ATOM 0 HA ILE A 26 1.752 2.219 -9.167 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.236 3.900 -10.713 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.403 0.957 -11.127 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.147 1.621 -10.649 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.388 3.555 -12.536 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.148 4.298 -11.109 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.393 2.568 -11.448 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.132 1.055 -13.030 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.317 2.811 -12.807 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.257 2.136 -13.292 1.00 0.00 H new ATOM 459 N VAL A 27 2.313 4.327 -7.993 1.00 0.00 N ATOM 460 CA VAL A 27 2.690 5.559 -7.318 1.00 0.00 C ATOM 461 C VAL A 27 3.263 6.566 -8.308 1.00 0.00 C ATOM 462 O VAL A 27 4.405 6.436 -8.747 1.00 0.00 O ATOM 463 CB VAL A 27 3.728 5.300 -6.212 1.00 0.00 C ATOM 464 CG1 VAL A 27 3.957 6.557 -5.388 1.00 0.00 C ATOM 465 CG2 VAL A 27 3.292 4.142 -5.324 1.00 0.00 C ATOM 0 H VAL A 27 3.047 3.619 -8.020 1.00 0.00 H new ATOM 0 HA VAL A 27 1.785 5.965 -6.866 1.00 0.00 H new ATOM 0 HB VAL A 27 4.671 5.027 -6.685 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.694 6.354 -4.611 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.322 7.355 -6.035 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.019 6.865 -4.926 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.040 3.976 -4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.335 4.380 -4.860 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.188 3.240 -5.927 1.00 0.00 H new ATOM 475 N SER A 28 2.467 7.571 -8.652 1.00 0.00 N ATOM 476 CA SER A 28 2.899 8.600 -9.589 1.00 0.00 C ATOM 477 C SER A 28 3.781 9.631 -8.893 1.00 0.00 C ATOM 478 O SER A 28 3.795 9.724 -7.665 1.00 0.00 O ATOM 479 CB SER A 28 1.686 9.289 -10.218 1.00 0.00 C ATOM 480 OG SER A 28 2.083 10.393 -11.013 1.00 0.00 O ATOM 0 H SER A 28 1.519 7.695 -8.296 1.00 0.00 H new ATOM 0 HA SER A 28 3.482 8.120 -10.375 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.135 8.575 -10.830 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.008 9.626 -9.434 1.00 0.00 H new ATOM 0 HG SER A 28 1.290 10.815 -11.405 1.00 0.00 H new ATOM 486 N SER A 29 4.515 10.404 -9.685 1.00 0.00 N ATOM 487 CA SER A 29 5.401 11.431 -9.144 1.00 0.00 C ATOM 488 C SER A 29 4.649 12.359 -8.193 1.00 0.00 C ATOM 489 O SER A 29 3.850 13.189 -8.623 1.00 0.00 O ATOM 490 CB SER A 29 6.024 12.244 -10.280 1.00 0.00 C ATOM 491 OG SER A 29 5.116 13.215 -10.770 1.00 0.00 O ATOM 0 H SER A 29 4.515 10.340 -10.703 1.00 0.00 H new ATOM 0 HA SER A 29 6.192 10.933 -8.584 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.930 12.735 -9.925 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.319 11.577 -11.090 1.00 0.00 H new ATOM 0 HG SER A 29 4.257 13.123 -10.307 1.00 0.00 H new ATOM 497 N LYS A 30 4.913 12.209 -6.899 1.00 0.00 N ATOM 498 CA LYS A 30 4.265 13.031 -5.881 1.00 0.00 C ATOM 499 C LYS A 30 2.767 12.746 -5.812 1.00 0.00 C ATOM 500 O LYS A 30 1.975 13.621 -5.464 1.00 0.00 O ATOM 501 CB LYS A 30 4.498 14.517 -6.165 1.00 0.00 C ATOM 502 CG LYS A 30 5.963 14.879 -6.358 1.00 0.00 C ATOM 503 CD LYS A 30 6.467 15.783 -5.246 1.00 0.00 C ATOM 504 CE LYS A 30 7.650 16.622 -5.703 1.00 0.00 C ATOM 505 NZ LYS A 30 7.679 17.951 -5.033 1.00 0.00 N ATOM 0 H LYS A 30 5.573 11.524 -6.529 1.00 0.00 H new ATOM 0 HA LYS A 30 4.708 12.777 -4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.942 14.799 -7.059 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.093 15.104 -5.340 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.562 13.969 -6.388 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.092 15.377 -7.319 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.661 16.438 -4.915 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.759 15.178 -4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.577 16.089 -5.492 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.601 16.761 -6.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.500 18.492 -5.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.806 18.471 -5.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.751 17.819 -4.004 1.00 0.00 H new ATOM 519 N LYS A 31 2.386 11.517 -6.147 1.00 0.00 N ATOM 520 CA LYS A 31 0.982 11.122 -6.122 1.00 0.00 C ATOM 521 C LYS A 31 0.840 9.602 -6.144 1.00 0.00 C ATOM 522 O LYS A 31 1.742 8.890 -6.579 1.00 0.00 O ATOM 523 CB LYS A 31 0.239 11.733 -7.313 1.00 0.00 C ATOM 524 CG LYS A 31 -1.272 11.582 -7.237 1.00 0.00 C ATOM 525 CD LYS A 31 -1.860 12.422 -6.114 1.00 0.00 C ATOM 526 CE LYS A 31 -1.874 13.900 -6.472 1.00 0.00 C ATOM 527 NZ LYS A 31 -0.728 14.632 -5.861 1.00 0.00 N ATOM 0 H LYS A 31 3.028 10.780 -6.438 1.00 0.00 H new ATOM 0 HA LYS A 31 0.543 11.494 -5.197 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.486 12.793 -7.378 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.596 11.265 -8.231 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.717 11.880 -8.187 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.527 10.534 -7.080 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.876 12.088 -5.902 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.279 12.272 -5.204 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.839 14.011 -7.556 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.810 14.346 -6.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.406 15.378 -6.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.029 15.062 -4.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.052 13.968 -5.682 1.00 0.00 H new ATOM 541 N ILE A 32 -0.302 9.114 -5.670 1.00 0.00 N ATOM 542 CA ILE A 32 -0.568 7.680 -5.637 1.00 0.00 C ATOM 543 C ILE A 32 -1.923 7.370 -6.266 1.00 0.00 C ATOM 544 O ILE A 32 -2.871 8.142 -6.123 1.00 0.00 O ATOM 545 CB ILE A 32 -0.544 7.128 -4.196 1.00 0.00 C ATOM 546 CG1 ILE A 32 0.600 7.758 -3.400 1.00 0.00 C ATOM 547 CG2 ILE A 32 -0.409 5.613 -4.212 1.00 0.00 C ATOM 548 CD1 ILE A 32 0.676 7.278 -1.967 1.00 0.00 C ATOM 0 H ILE A 32 -1.059 9.691 -5.303 1.00 0.00 H new ATOM 0 HA ILE A 32 0.224 7.196 -6.209 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.485 7.387 -3.710 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.544 7.537 -3.899 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.482 8.842 -3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.393 5.238 -3.189 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.254 5.178 -4.745 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.518 5.336 -4.714 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.510 7.766 -1.463 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.253 7.523 -1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.825 6.198 -1.952 1.00 0.00 H new ATOM 560 N LEU A 33 -2.009 6.245 -6.969 1.00 0.00 N ATOM 561 CA LEU A 33 -3.253 5.853 -7.621 1.00 0.00 C ATOM 562 C LEU A 33 -3.497 4.350 -7.506 1.00 0.00 C ATOM 563 O LEU A 33 -2.557 3.556 -7.487 1.00 0.00 O ATOM 564 CB LEU A 33 -3.228 6.262 -9.094 1.00 0.00 C ATOM 565 CG LEU A 33 -2.609 7.634 -9.375 1.00 0.00 C ATOM 566 CD1 LEU A 33 -1.092 7.538 -9.408 1.00 0.00 C ATOM 567 CD2 LEU A 33 -3.139 8.197 -10.684 1.00 0.00 C ATOM 0 H LEU A 33 -1.237 5.592 -7.101 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.069 6.368 -7.114 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.675 5.509 -9.655 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.249 6.256 -9.474 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.891 8.312 -8.570 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.669 8.522 -9.609 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.729 7.177 -8.446 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.788 6.846 -10.193 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.689 9.172 -10.869 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.886 7.520 -11.500 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.222 8.303 -10.623 1.00 0.00 H new ATOM 579 N PHE A 34 -4.771 3.973 -7.440 1.00 0.00 N ATOM 580 CA PHE A 34 -5.157 2.571 -7.338 1.00 0.00 C ATOM 581 C PHE A 34 -6.064 2.188 -8.499 1.00 0.00 C ATOM 582 O PHE A 34 -7.098 2.816 -8.723 1.00 0.00 O ATOM 583 CB PHE A 34 -5.875 2.306 -6.016 1.00 0.00 C ATOM 584 CG PHE A 34 -4.979 1.788 -4.928 1.00 0.00 C ATOM 585 CD1 PHE A 34 -3.911 2.545 -4.472 1.00 0.00 C ATOM 586 CD2 PHE A 34 -5.206 0.546 -4.358 1.00 0.00 C ATOM 587 CE1 PHE A 34 -3.087 2.071 -3.469 1.00 0.00 C ATOM 588 CE2 PHE A 34 -4.387 0.067 -3.354 1.00 0.00 C ATOM 589 CZ PHE A 34 -3.326 0.831 -2.910 1.00 0.00 C ATOM 0 H PHE A 34 -5.556 4.624 -7.456 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.252 1.965 -7.375 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.344 3.230 -5.677 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.676 1.586 -6.187 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.721 3.516 -4.905 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.034 -0.056 -4.703 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.257 2.669 -3.123 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.576 -0.903 -2.917 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.683 0.459 -2.126 1.00 0.00 H new ATOM 599 N TYR A 35 -5.672 1.153 -9.233 1.00 0.00 N ATOM 600 CA TYR A 35 -6.450 0.685 -10.374 1.00 0.00 C ATOM 601 C TYR A 35 -6.815 -0.788 -10.218 1.00 0.00 C ATOM 602 O TYR A 35 -6.233 -1.500 -9.400 1.00 0.00 O ATOM 603 CB TYR A 35 -5.665 0.892 -11.671 1.00 0.00 C ATOM 604 CG TYR A 35 -5.443 2.346 -12.017 1.00 0.00 C ATOM 605 CD1 TYR A 35 -4.347 3.040 -11.521 1.00 0.00 C ATOM 606 CD2 TYR A 35 -6.328 3.027 -12.844 1.00 0.00 C ATOM 607 CE1 TYR A 35 -4.139 4.370 -11.835 1.00 0.00 C ATOM 608 CE2 TYR A 35 -6.127 4.356 -13.165 1.00 0.00 C ATOM 609 CZ TYR A 35 -5.031 5.022 -12.657 1.00 0.00 C ATOM 610 OH TYR A 35 -4.829 6.347 -12.973 1.00 0.00 O ATOM 0 H TYR A 35 -4.819 0.621 -9.058 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.371 1.266 -10.416 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.698 0.396 -11.584 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.198 0.409 -12.490 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.644 2.531 -10.878 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.188 2.509 -13.243 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.282 4.894 -11.438 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.824 4.870 -13.810 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.548 6.656 -13.563 1.00 0.00 H new ATOM 620 N ASP A 36 -7.784 -1.236 -11.010 1.00 0.00 N ATOM 621 CA ASP A 36 -8.228 -2.625 -10.964 1.00 0.00 C ATOM 622 C ASP A 36 -7.622 -3.431 -12.109 1.00 0.00 C ATOM 623 O ASP A 36 -7.482 -4.649 -12.015 1.00 0.00 O ATOM 624 CB ASP A 36 -9.755 -2.693 -11.030 1.00 0.00 C ATOM 625 CG ASP A 36 -10.401 -2.527 -9.668 1.00 0.00 C ATOM 626 OD1 ASP A 36 -10.499 -1.376 -9.194 1.00 0.00 O ATOM 627 OD2 ASP A 36 -10.807 -3.550 -9.076 1.00 0.00 O ATOM 0 H ASP A 36 -8.277 -0.658 -11.691 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.890 -3.058 -10.023 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.122 -1.916 -11.700 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.055 -3.650 -11.457 1.00 0.00 H new ATOM 632 N SER A 37 -7.264 -2.742 -13.188 1.00 0.00 N ATOM 633 CA SER A 37 -6.672 -3.397 -14.351 1.00 0.00 C ATOM 634 C SER A 37 -6.016 -2.378 -15.276 1.00 0.00 C ATOM 635 O SER A 37 -6.231 -1.173 -15.142 1.00 0.00 O ATOM 636 CB SER A 37 -7.738 -4.186 -15.114 1.00 0.00 C ATOM 637 OG SER A 37 -8.069 -5.386 -14.435 1.00 0.00 O ATOM 0 H SER A 37 -7.373 -1.732 -13.282 1.00 0.00 H new ATOM 0 HA SER A 37 -5.904 -4.085 -13.998 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.632 -3.574 -15.233 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.375 -4.419 -16.115 1.00 0.00 H new ATOM 0 HG SER A 37 -7.631 -5.397 -13.558 1.00 0.00 H new ATOM 643 N GLU A 38 -5.214 -2.870 -16.215 1.00 0.00 N ATOM 644 CA GLU A 38 -4.526 -2.003 -17.164 1.00 0.00 C ATOM 645 C GLU A 38 -5.519 -1.315 -18.094 1.00 0.00 C ATOM 646 O GLU A 38 -5.320 -0.168 -18.492 1.00 0.00 O ATOM 647 CB GLU A 38 -3.518 -2.810 -17.983 1.00 0.00 C ATOM 648 CG GLU A 38 -2.473 -1.951 -18.679 1.00 0.00 C ATOM 649 CD GLU A 38 -1.057 -2.308 -18.272 1.00 0.00 C ATOM 650 OE1 GLU A 38 -0.559 -3.363 -18.717 1.00 0.00 O ATOM 651 OE2 GLU A 38 -0.446 -1.532 -17.507 1.00 0.00 O ATOM 0 H GLU A 38 -5.025 -3.865 -16.339 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.996 -1.236 -16.599 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.014 -3.520 -17.327 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.054 -3.393 -18.732 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.576 -2.064 -19.758 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.659 -0.902 -18.449 1.00 0.00 H new ATOM 658 N GLN A 39 -6.590 -2.024 -18.436 1.00 0.00 N ATOM 659 CA GLN A 39 -7.615 -1.482 -19.320 1.00 0.00 C ATOM 660 C GLN A 39 -8.236 -0.223 -18.723 1.00 0.00 C ATOM 661 O GLN A 39 -8.525 0.737 -19.436 1.00 0.00 O ATOM 662 CB GLN A 39 -8.700 -2.528 -19.578 1.00 0.00 C ATOM 663 CG GLN A 39 -9.377 -3.027 -18.312 1.00 0.00 C ATOM 664 CD GLN A 39 -9.788 -4.484 -18.405 1.00 0.00 C ATOM 665 OE1 GLN A 39 -10.970 -4.802 -18.528 1.00 0.00 O ATOM 666 NE2 GLN A 39 -8.807 -5.379 -18.347 1.00 0.00 N ATOM 0 H GLN A 39 -6.770 -2.975 -18.114 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.143 -1.219 -20.266 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.454 -2.102 -20.239 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.259 -3.376 -20.102 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.700 -2.898 -17.467 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.258 -2.417 -18.111 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.840 -5.070 -18.245 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.021 -6.375 -18.405 1.00 0.00 H new ATOM 675 N ASP A 40 -8.435 -0.234 -17.409 1.00 0.00 N ATOM 676 CA ASP A 40 -9.020 0.906 -16.715 1.00 0.00 C ATOM 677 C ASP A 40 -7.991 2.019 -16.539 1.00 0.00 C ATOM 678 O ASP A 40 -8.334 3.201 -16.539 1.00 0.00 O ATOM 679 CB ASP A 40 -9.566 0.476 -15.351 1.00 0.00 C ATOM 680 CG ASP A 40 -11.074 0.617 -15.262 1.00 0.00 C ATOM 681 OD1 ASP A 40 -11.551 1.749 -15.041 1.00 0.00 O ATOM 682 OD2 ASP A 40 -11.776 -0.405 -15.413 1.00 0.00 O ATOM 0 H ASP A 40 -8.199 -1.020 -16.804 1.00 0.00 H new ATOM 0 HA ASP A 40 -9.842 1.288 -17.321 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.289 -0.561 -15.162 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.101 1.078 -14.570 1.00 0.00 H new ATOM 687 N LYS A 41 -6.729 1.631 -16.388 1.00 0.00 N ATOM 688 CA LYS A 41 -5.649 2.595 -16.212 1.00 0.00 C ATOM 689 C LYS A 41 -5.468 3.446 -17.464 1.00 0.00 C ATOM 690 O LYS A 41 -5.401 4.674 -17.390 1.00 0.00 O ATOM 691 CB LYS A 41 -4.341 1.873 -15.879 1.00 0.00 C ATOM 692 CG LYS A 41 -3.448 2.645 -14.922 1.00 0.00 C ATOM 693 CD LYS A 41 -2.930 3.926 -15.554 1.00 0.00 C ATOM 694 CE LYS A 41 -1.580 4.324 -14.981 1.00 0.00 C ATOM 695 NZ LYS A 41 -1.718 5.032 -13.678 1.00 0.00 N ATOM 0 H LYS A 41 -6.429 0.656 -16.384 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.915 3.252 -15.384 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.573 0.901 -15.443 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.794 1.686 -16.803 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.005 2.884 -14.016 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.607 2.020 -14.623 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.843 3.792 -16.632 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.647 4.730 -15.390 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.965 3.434 -14.847 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.060 4.967 -15.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.888 4.832 -13.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.786 6.056 -13.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.577 4.703 -13.193 1.00 0.00 H new ATOM 709 N GLU A 42 -5.393 2.787 -18.616 1.00 0.00 N ATOM 710 CA GLU A 42 -5.223 3.483 -19.886 1.00 0.00 C ATOM 711 C GLU A 42 -6.377 4.447 -20.141 1.00 0.00 C ATOM 712 O GLU A 42 -6.221 5.443 -20.848 1.00 0.00 O ATOM 713 CB GLU A 42 -5.123 2.474 -21.033 1.00 0.00 C ATOM 714 CG GLU A 42 -3.957 1.510 -20.894 1.00 0.00 C ATOM 715 CD GLU A 42 -3.897 0.503 -22.026 1.00 0.00 C ATOM 716 OE1 GLU A 42 -3.826 0.930 -23.197 1.00 0.00 O ATOM 717 OE2 GLU A 42 -3.917 -0.713 -21.741 1.00 0.00 O ATOM 0 H GLU A 42 -5.447 1.772 -18.696 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.299 4.060 -19.834 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.051 1.904 -21.087 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.026 3.015 -21.974 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.025 2.074 -20.864 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.039 0.980 -19.945 1.00 0.00 H new ATOM 724 N GLN A 43 -7.535 4.148 -19.560 1.00 0.00 N ATOM 725 CA GLN A 43 -8.714 4.992 -19.726 1.00 0.00 C ATOM 726 C GLN A 43 -8.715 6.154 -18.732 1.00 0.00 C ATOM 727 O GLN A 43 -9.664 6.936 -18.684 1.00 0.00 O ATOM 728 CB GLN A 43 -9.987 4.159 -19.554 1.00 0.00 C ATOM 729 CG GLN A 43 -10.443 3.474 -20.831 1.00 0.00 C ATOM 730 CD GLN A 43 -11.555 4.232 -21.534 1.00 0.00 C ATOM 731 OE1 GLN A 43 -12.682 3.748 -21.636 1.00 0.00 O ATOM 732 NE2 GLN A 43 -11.240 5.425 -22.023 1.00 0.00 N ATOM 0 H GLN A 43 -7.682 3.329 -18.971 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.686 5.409 -20.733 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.816 3.403 -18.787 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.787 4.804 -19.192 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -9.594 3.371 -21.507 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -10.787 2.467 -20.596 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.292 5.786 -21.915 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -11.946 5.980 -22.507 1.00 0.00 H new ATOM 741 N SER A 44 -7.650 6.264 -17.941 1.00 0.00 N ATOM 742 CA SER A 44 -7.540 7.334 -16.955 1.00 0.00 C ATOM 743 C SER A 44 -8.668 7.248 -15.931 1.00 0.00 C ATOM 744 O SER A 44 -9.196 8.268 -15.487 1.00 0.00 O ATOM 745 CB SER A 44 -7.566 8.698 -17.646 1.00 0.00 C ATOM 746 OG SER A 44 -6.277 9.058 -18.114 1.00 0.00 O ATOM 0 H SER A 44 -6.854 5.627 -17.964 1.00 0.00 H new ATOM 0 HA SER A 44 -6.590 7.217 -16.434 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.266 8.673 -18.482 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.928 9.455 -16.950 1.00 0.00 H new ATOM 0 HG SER A 44 -6.321 9.933 -18.553 1.00 0.00 H new ATOM 752 N ASN A 45 -9.031 6.025 -15.559 1.00 0.00 N ATOM 753 CA ASN A 45 -10.094 5.804 -14.586 1.00 0.00 C ATOM 754 C ASN A 45 -9.533 5.227 -13.287 1.00 0.00 C ATOM 755 O ASN A 45 -9.596 4.020 -13.055 1.00 0.00 O ATOM 756 CB ASN A 45 -11.155 4.865 -15.168 1.00 0.00 C ATOM 757 CG ASN A 45 -12.539 5.485 -15.162 1.00 0.00 C ATOM 758 OD1 ASN A 45 -13.317 5.290 -14.229 1.00 0.00 O ATOM 759 ND2 ASN A 45 -12.856 6.236 -16.211 1.00 0.00 N ATOM 0 H ASN A 45 -8.604 5.171 -15.917 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.556 6.765 -14.360 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.882 4.601 -16.190 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.172 3.939 -14.593 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -13.774 6.677 -16.264 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.181 6.372 -16.963 1.00 0.00 H new ATOM 766 N PRO A 46 -8.970 6.087 -12.421 1.00 0.00 N ATOM 767 CA PRO A 46 -8.393 5.658 -11.143 1.00 0.00 C ATOM 768 C PRO A 46 -9.462 5.251 -10.134 1.00 0.00 C ATOM 769 O PRO A 46 -10.554 5.820 -10.107 1.00 0.00 O ATOM 770 CB PRO A 46 -7.644 6.899 -10.658 1.00 0.00 C ATOM 771 CG PRO A 46 -8.361 8.043 -11.288 1.00 0.00 C ATOM 772 CD PRO A 46 -8.848 7.545 -12.621 1.00 0.00 C ATOM 0 HA PRO A 46 -7.759 4.779 -11.256 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.660 6.972 -9.571 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.597 6.873 -10.960 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.194 8.371 -10.666 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.698 8.899 -11.410 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.803 7.994 -12.893 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.145 7.783 -13.420 1.00 0.00 H new ATOM 780 N TYR A 47 -9.140 4.265 -9.305 1.00 0.00 N ATOM 781 CA TYR A 47 -10.070 3.781 -8.291 1.00 0.00 C ATOM 782 C TYR A 47 -9.829 4.478 -6.956 1.00 0.00 C ATOM 783 O TYR A 47 -10.768 4.939 -6.307 1.00 0.00 O ATOM 784 CB TYR A 47 -9.933 2.266 -8.121 1.00 0.00 C ATOM 785 CG TYR A 47 -10.955 1.665 -7.183 1.00 0.00 C ATOM 786 CD1 TYR A 47 -12.259 1.436 -7.603 1.00 0.00 C ATOM 787 CD2 TYR A 47 -10.616 1.328 -5.879 1.00 0.00 C ATOM 788 CE1 TYR A 47 -13.197 0.886 -6.749 1.00 0.00 C ATOM 789 CE2 TYR A 47 -11.548 0.778 -5.020 1.00 0.00 C ATOM 790 CZ TYR A 47 -12.837 0.560 -5.459 1.00 0.00 C ATOM 791 OH TYR A 47 -13.766 0.013 -4.604 1.00 0.00 O ATOM 0 H TYR A 47 -8.241 3.784 -9.315 1.00 0.00 H new ATOM 0 HA TYR A 47 -11.082 4.011 -8.624 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -10.025 1.790 -9.097 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.934 2.040 -7.749 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -12.545 1.692 -8.613 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.608 1.499 -5.531 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -14.207 0.713 -7.091 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.268 0.520 -4.009 1.00 0.00 H new ATOM 0 HH TYR A 47 -13.349 -0.159 -3.734 1.00 0.00 H new ATOM 801 N MET A 48 -8.565 4.551 -6.550 1.00 0.00 N ATOM 802 CA MET A 48 -8.203 5.193 -5.291 1.00 0.00 C ATOM 803 C MET A 48 -6.896 5.968 -5.433 1.00 0.00 C ATOM 804 O MET A 48 -5.827 5.378 -5.581 1.00 0.00 O ATOM 805 CB MET A 48 -8.076 4.151 -4.177 1.00 0.00 C ATOM 806 CG MET A 48 -8.740 4.569 -2.875 1.00 0.00 C ATOM 807 SD MET A 48 -8.219 3.559 -1.475 1.00 0.00 S ATOM 808 CE MET A 48 -6.440 3.740 -1.568 1.00 0.00 C ATOM 0 H MET A 48 -7.775 4.174 -7.074 1.00 0.00 H new ATOM 0 HA MET A 48 -8.995 5.895 -5.030 1.00 0.00 H new ATOM 0 HB2 MET A 48 -8.517 3.214 -4.516 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.020 3.957 -3.991 1.00 0.00 H new ATOM 0 HG2 MET A 48 -8.506 5.614 -2.671 1.00 0.00 H new ATOM 0 HG3 MET A 48 -9.822 4.500 -2.985 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.019 3.717 -0.563 1.00 0.00 H new ATOM 0 HE2 MET A 48 -6.021 2.923 -2.156 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.195 4.691 -2.042 1.00 0.00 H new ATOM 818 N VAL A 49 -6.988 7.292 -5.392 1.00 0.00 N ATOM 819 CA VAL A 49 -5.812 8.143 -5.523 1.00 0.00 C ATOM 820 C VAL A 49 -5.440 8.793 -4.193 1.00 0.00 C ATOM 821 O VAL A 49 -6.269 9.439 -3.551 1.00 0.00 O ATOM 822 CB VAL A 49 -6.031 9.241 -6.582 1.00 0.00 C ATOM 823 CG1 VAL A 49 -7.174 10.161 -6.177 1.00 0.00 C ATOM 824 CG2 VAL A 49 -4.751 10.032 -6.809 1.00 0.00 C ATOM 0 H VAL A 49 -7.864 7.799 -5.269 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.992 7.499 -5.841 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.303 8.760 -7.522 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.311 10.928 -6.939 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.091 9.580 -6.078 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.940 10.634 -5.223 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.927 10.802 -7.560 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.442 10.501 -5.875 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.965 9.361 -7.155 1.00 0.00 H new ATOM 834 N LEU A 50 -4.186 8.621 -3.792 1.00 0.00 N ATOM 835 CA LEU A 50 -3.690 9.193 -2.546 1.00 0.00 C ATOM 836 C LEU A 50 -2.573 10.195 -2.820 1.00 0.00 C ATOM 837 O LEU A 50 -1.903 10.123 -3.850 1.00 0.00 O ATOM 838 CB LEU A 50 -3.176 8.090 -1.614 1.00 0.00 C ATOM 839 CG LEU A 50 -4.004 6.802 -1.609 1.00 0.00 C ATOM 840 CD1 LEU A 50 -3.207 5.651 -2.205 1.00 0.00 C ATOM 841 CD2 LEU A 50 -4.455 6.462 -0.196 1.00 0.00 C ATOM 0 H LEU A 50 -3.491 8.087 -4.314 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.518 9.711 -2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.153 7.844 -1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.139 8.483 -0.598 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.890 6.962 -2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.812 4.745 -2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.934 5.891 -3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.303 5.492 -1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.042 5.544 -0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.582 6.323 0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.065 7.275 0.197 1.00 0.00 H new ATOM 853 N ASP A 51 -2.376 11.127 -1.893 1.00 0.00 N ATOM 854 CA ASP A 51 -1.338 12.139 -2.040 1.00 0.00 C ATOM 855 C ASP A 51 -0.075 11.734 -1.285 1.00 0.00 C ATOM 856 O ASP A 51 -0.087 11.611 -0.060 1.00 0.00 O ATOM 857 CB ASP A 51 -1.839 13.492 -1.532 1.00 0.00 C ATOM 858 CG ASP A 51 -2.969 14.044 -2.379 1.00 0.00 C ATOM 859 OD1 ASP A 51 -4.135 13.674 -2.127 1.00 0.00 O ATOM 860 OD2 ASP A 51 -2.688 14.846 -3.293 1.00 0.00 O ATOM 0 H ASP A 51 -2.921 11.202 -1.034 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.096 12.225 -3.099 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.178 13.387 -0.502 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.013 14.203 -1.525 1.00 0.00 H new ATOM 865 N ILE A 52 1.013 11.529 -2.022 1.00 0.00 N ATOM 866 CA ILE A 52 2.281 11.137 -1.417 1.00 0.00 C ATOM 867 C ILE A 52 2.717 12.146 -0.357 1.00 0.00 C ATOM 868 O ILE A 52 3.289 11.777 0.668 1.00 0.00 O ATOM 869 CB ILE A 52 3.395 10.998 -2.477 1.00 0.00 C ATOM 870 CG1 ILE A 52 3.008 9.936 -3.511 1.00 0.00 C ATOM 871 CG2 ILE A 52 4.724 10.652 -1.818 1.00 0.00 C ATOM 872 CD1 ILE A 52 4.091 9.659 -4.533 1.00 0.00 C ATOM 0 H ILE A 52 1.042 11.628 -3.037 1.00 0.00 H new ATOM 0 HA ILE A 52 2.122 10.167 -0.946 1.00 0.00 H new ATOM 0 HB ILE A 52 3.512 11.954 -2.988 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.764 9.009 -2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.105 10.258 -4.030 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.496 10.559 -2.582 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.000 11.441 -1.119 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.629 9.708 -1.281 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.746 8.897 -5.232 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.319 10.575 -5.078 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.989 9.306 -4.025 1.00 0.00 H new ATOM 884 N ASP A 53 2.439 13.420 -0.611 1.00 0.00 N ATOM 885 CA ASP A 53 2.800 14.482 0.322 1.00 0.00 C ATOM 886 C ASP A 53 1.977 14.378 1.603 1.00 0.00 C ATOM 887 O ASP A 53 2.438 14.755 2.681 1.00 0.00 O ATOM 888 CB ASP A 53 2.587 15.851 -0.328 1.00 0.00 C ATOM 889 CG ASP A 53 3.005 16.995 0.577 1.00 0.00 C ATOM 890 OD1 ASP A 53 2.516 17.055 1.724 1.00 0.00 O ATOM 891 OD2 ASP A 53 3.822 17.832 0.137 1.00 0.00 O ATOM 0 H ASP A 53 1.965 13.743 -1.455 1.00 0.00 H new ATOM 0 HA ASP A 53 3.854 14.370 0.578 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.155 15.901 -1.257 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.535 15.965 -0.591 1.00 0.00 H new ATOM 896 N LYS A 54 0.757 13.866 1.476 1.00 0.00 N ATOM 897 CA LYS A 54 -0.133 13.713 2.622 1.00 0.00 C ATOM 898 C LYS A 54 0.318 12.566 3.525 1.00 0.00 C ATOM 899 O LYS A 54 -0.123 12.460 4.669 1.00 0.00 O ATOM 900 CB LYS A 54 -1.567 13.470 2.150 1.00 0.00 C ATOM 901 CG LYS A 54 -2.308 14.744 1.777 1.00 0.00 C ATOM 902 CD LYS A 54 -3.805 14.608 2.011 1.00 0.00 C ATOM 903 CE LYS A 54 -4.266 15.439 3.199 1.00 0.00 C ATOM 904 NZ LYS A 54 -5.547 16.144 2.920 1.00 0.00 N ATOM 0 H LYS A 54 0.362 13.550 0.590 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.096 14.637 3.199 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.549 12.804 1.287 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.118 12.956 2.938 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.921 15.576 2.365 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.123 14.980 0.729 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.343 14.922 1.117 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.053 13.560 2.181 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.389 14.793 4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.497 16.169 3.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.827 16.699 3.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.423 16.780 2.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.287 15.446 2.704 1.00 0.00 H new ATOM 918 N LEU A 55 1.195 11.709 3.008 1.00 0.00 N ATOM 919 CA LEU A 55 1.694 10.573 3.775 1.00 0.00 C ATOM 920 C LEU A 55 2.313 11.029 5.092 1.00 0.00 C ATOM 921 O LEU A 55 2.859 12.127 5.188 1.00 0.00 O ATOM 922 CB LEU A 55 2.729 9.792 2.963 1.00 0.00 C ATOM 923 CG LEU A 55 2.201 9.143 1.681 1.00 0.00 C ATOM 924 CD1 LEU A 55 3.234 8.187 1.105 1.00 0.00 C ATOM 925 CD2 LEU A 55 0.890 8.416 1.947 1.00 0.00 C ATOM 0 H LEU A 55 1.573 11.780 2.063 1.00 0.00 H new ATOM 0 HA LEU A 55 0.847 9.924 3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.544 10.466 2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.152 9.013 3.597 1.00 0.00 H new ATOM 0 HG LEU A 55 2.013 9.930 0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.843 7.734 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.148 8.735 0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.453 7.406 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.532 7.962 1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.050 7.639 2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.148 9.126 2.314 1.00 0.00 H new ATOM 937 N PHE A 56 2.223 10.173 6.104 1.00 0.00 N ATOM 938 CA PHE A 56 2.775 10.478 7.417 1.00 0.00 C ATOM 939 C PHE A 56 3.977 9.588 7.714 1.00 0.00 C ATOM 940 O PHE A 56 4.977 10.042 8.270 1.00 0.00 O ATOM 941 CB PHE A 56 1.710 10.288 8.496 1.00 0.00 C ATOM 942 CG PHE A 56 0.874 11.510 8.739 1.00 0.00 C ATOM 943 CD1 PHE A 56 1.470 12.728 9.023 1.00 0.00 C ATOM 944 CD2 PHE A 56 -0.509 11.440 8.684 1.00 0.00 C ATOM 945 CE1 PHE A 56 0.702 13.855 9.247 1.00 0.00 C ATOM 946 CE2 PHE A 56 -1.281 12.564 8.908 1.00 0.00 C ATOM 947 CZ PHE A 56 -0.676 13.772 9.191 1.00 0.00 C ATOM 0 H PHE A 56 1.772 9.261 6.039 1.00 0.00 H new ATOM 0 HA PHE A 56 3.101 11.518 7.418 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.058 9.463 8.209 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.197 10.000 9.428 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.547 12.798 9.070 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.988 10.498 8.464 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.178 14.799 9.466 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.358 12.497 8.862 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.279 14.651 9.368 1.00 0.00 H new ATOM 957 N HIS A 57 3.868 8.319 7.337 1.00 0.00 N ATOM 958 CA HIS A 57 4.943 7.361 7.560 1.00 0.00 C ATOM 959 C HIS A 57 4.574 5.988 7.003 1.00 0.00 C ATOM 960 O HIS A 57 3.552 5.412 7.373 1.00 0.00 O ATOM 961 CB HIS A 57 5.258 7.252 9.054 1.00 0.00 C ATOM 962 CG HIS A 57 6.512 7.967 9.457 1.00 0.00 C ATOM 963 ND1 HIS A 57 6.851 8.212 10.771 1.00 0.00 N ATOM 964 CD2 HIS A 57 7.511 8.492 8.708 1.00 0.00 C ATOM 965 CE1 HIS A 57 8.004 8.855 10.814 1.00 0.00 C ATOM 966 NE2 HIS A 57 8.425 9.036 9.576 1.00 0.00 N ATOM 0 H HIS A 57 3.046 7.930 6.875 1.00 0.00 H new ATOM 0 HA HIS A 57 5.829 7.719 7.035 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.421 7.655 9.624 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.348 6.199 9.322 1.00 0.00 H new ATOM 0 HD2 HIS A 57 7.576 8.484 7.630 1.00 0.00 H new ATOM 0 HE1 HIS A 57 8.515 9.178 11.709 1.00 0.00 H new ATOM 0 HE2 HIS A 57 9.290 9.505 9.308 1.00 0.00 H new ATOM 975 N VAL A 58 5.418 5.471 6.117 1.00 0.00 N ATOM 976 CA VAL A 58 5.189 4.164 5.511 1.00 0.00 C ATOM 977 C VAL A 58 6.325 3.206 5.852 1.00 0.00 C ATOM 978 O VAL A 58 7.480 3.445 5.499 1.00 0.00 O ATOM 979 CB VAL A 58 5.044 4.269 3.978 1.00 0.00 C ATOM 980 CG1 VAL A 58 6.215 5.031 3.380 1.00 0.00 C ATOM 981 CG2 VAL A 58 4.917 2.888 3.350 1.00 0.00 C ATOM 0 H VAL A 58 6.268 5.938 5.802 1.00 0.00 H new ATOM 0 HA VAL A 58 4.256 3.776 5.920 1.00 0.00 H new ATOM 0 HB VAL A 58 4.131 4.823 3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.094 5.094 2.299 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.248 6.036 3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.144 4.510 3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.816 2.988 2.269 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.807 2.301 3.579 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.037 2.385 3.752 1.00 0.00 H new ATOM 991 N ARG A 59 5.990 2.122 6.546 1.00 0.00 N ATOM 992 CA ARG A 59 6.986 1.130 6.939 1.00 0.00 C ATOM 993 C ARG A 59 6.367 -0.264 7.013 1.00 0.00 C ATOM 994 O ARG A 59 5.151 -0.408 7.142 1.00 0.00 O ATOM 995 CB ARG A 59 7.595 1.502 8.290 1.00 0.00 C ATOM 996 CG ARG A 59 8.554 2.681 8.222 1.00 0.00 C ATOM 997 CD ARG A 59 9.862 2.296 7.547 1.00 0.00 C ATOM 998 NE ARG A 59 10.914 2.009 8.517 1.00 0.00 N ATOM 999 CZ ARG A 59 11.429 2.918 9.342 1.00 0.00 C ATOM 1000 NH1 ARG A 59 10.990 4.169 9.320 1.00 0.00 N ATOM 1001 NH2 ARG A 59 12.386 2.572 10.194 1.00 0.00 N ATOM 0 H ARG A 59 5.039 1.908 6.847 1.00 0.00 H new ATOM 0 HA ARG A 59 7.771 1.118 6.183 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.792 1.737 8.989 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.123 0.637 8.691 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.088 3.500 7.674 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.756 3.046 9.229 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.701 1.421 6.917 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.184 3.106 6.892 1.00 0.00 H new ATOM 0 HE ARG A 59 11.276 1.057 8.566 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.253 4.440 8.668 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.389 4.861 9.955 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.726 1.611 10.216 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.781 3.268 10.827 1.00 0.00 H new ATOM 1015 N PRO A 60 7.200 -1.317 6.937 1.00 0.00 N ATOM 1016 CA PRO A 60 6.732 -2.704 6.999 1.00 0.00 C ATOM 1017 C PRO A 60 5.884 -2.968 8.239 1.00 0.00 C ATOM 1018 O PRO A 60 6.089 -2.352 9.285 1.00 0.00 O ATOM 1019 CB PRO A 60 8.025 -3.534 7.045 1.00 0.00 C ATOM 1020 CG PRO A 60 9.115 -2.559 7.349 1.00 0.00 C ATOM 1021 CD PRO A 60 8.661 -1.244 6.786 1.00 0.00 C ATOM 0 HA PRO A 60 6.092 -2.951 6.152 1.00 0.00 H new ATOM 0 HB2 PRO A 60 7.967 -4.309 7.810 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.202 -4.037 6.094 1.00 0.00 H new ATOM 0 HG2 PRO A 60 9.285 -2.486 8.423 1.00 0.00 H new ATOM 0 HG3 PRO A 60 10.056 -2.873 6.898 1.00 0.00 H new ATOM 0 HD2 PRO A 60 9.083 -0.401 7.333 1.00 0.00 H new ATOM 0 HD3 PRO A 60 8.955 -1.126 5.743 1.00 0.00 H new ATOM 1029 N VAL A 61 4.931 -3.887 8.116 1.00 0.00 N ATOM 1030 CA VAL A 61 4.054 -4.228 9.228 1.00 0.00 C ATOM 1031 C VAL A 61 4.585 -5.430 10.002 1.00 0.00 C ATOM 1032 O VAL A 61 5.599 -6.021 9.631 1.00 0.00 O ATOM 1033 CB VAL A 61 2.621 -4.533 8.743 1.00 0.00 C ATOM 1034 CG1 VAL A 61 2.024 -3.321 8.045 1.00 0.00 C ATOM 1035 CG2 VAL A 61 2.611 -5.746 7.824 1.00 0.00 C ATOM 0 H VAL A 61 4.748 -4.408 7.258 1.00 0.00 H new ATOM 0 HA VAL A 61 4.029 -3.360 9.887 1.00 0.00 H new ATOM 0 HB VAL A 61 2.006 -4.763 9.613 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.014 -3.555 7.710 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.991 -2.481 8.739 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.639 -3.057 7.185 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.591 -5.944 7.494 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.242 -5.551 6.957 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.993 -6.614 8.362 1.00 0.00 H new ATOM 1045 N THR A 62 3.895 -5.783 11.081 1.00 0.00 N ATOM 1046 CA THR A 62 4.299 -6.914 11.909 1.00 0.00 C ATOM 1047 C THR A 62 3.128 -7.863 12.144 1.00 0.00 C ATOM 1048 O THR A 62 2.058 -7.701 11.559 1.00 0.00 O ATOM 1049 CB THR A 62 4.845 -6.419 13.249 1.00 0.00 C ATOM 1050 OG1 THR A 62 3.816 -5.828 14.023 1.00 0.00 O ATOM 1051 CG2 THR A 62 5.954 -5.399 13.104 1.00 0.00 C ATOM 0 H THR A 62 3.054 -5.303 11.403 1.00 0.00 H new ATOM 0 HA THR A 62 5.083 -7.458 11.382 1.00 0.00 H new ATOM 0 HB THR A 62 5.250 -7.304 13.740 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.185 -5.519 14.877 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.296 -5.090 14.092 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.785 -5.841 12.554 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.581 -4.531 12.561 1.00 0.00 H new ATOM 1059 N GLN A 63 3.342 -8.855 13.002 1.00 0.00 N ATOM 1060 CA GLN A 63 2.305 -9.834 13.313 1.00 0.00 C ATOM 1061 C GLN A 63 1.124 -9.185 14.034 1.00 0.00 C ATOM 1062 O GLN A 63 0.056 -9.785 14.151 1.00 0.00 O ATOM 1063 CB GLN A 63 2.883 -10.961 14.173 1.00 0.00 C ATOM 1064 CG GLN A 63 1.972 -12.172 14.279 1.00 0.00 C ATOM 1065 CD GLN A 63 2.130 -13.126 13.112 1.00 0.00 C ATOM 1066 OE1 GLN A 63 2.905 -14.080 13.175 1.00 0.00 O ATOM 1067 NE2 GLN A 63 1.392 -12.873 12.037 1.00 0.00 N ATOM 0 H GLN A 63 4.223 -9.003 13.494 1.00 0.00 H new ATOM 0 HA GLN A 63 1.943 -10.246 12.371 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.840 -11.272 13.754 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.082 -10.578 15.174 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.185 -12.702 15.208 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.936 -11.838 14.333 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.762 -12.071 12.028 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.455 -13.481 11.221 1.00 0.00 H new ATOM 1076 N THR A 64 1.320 -7.962 14.520 1.00 0.00 N ATOM 1077 CA THR A 64 0.264 -7.245 15.227 1.00 0.00 C ATOM 1078 C THR A 64 -0.709 -6.593 14.248 1.00 0.00 C ATOM 1079 O THR A 64 -1.881 -6.388 14.567 1.00 0.00 O ATOM 1080 CB THR A 64 0.869 -6.183 16.146 1.00 0.00 C ATOM 1081 OG1 THR A 64 1.543 -5.192 15.390 1.00 0.00 O ATOM 1082 CG2 THR A 64 1.856 -6.747 17.146 1.00 0.00 C ATOM 0 H THR A 64 2.198 -7.449 14.437 1.00 0.00 H new ATOM 0 HA THR A 64 -0.288 -7.967 15.828 1.00 0.00 H new ATOM 0 HB THR A 64 0.026 -5.760 16.692 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.343 -5.581 14.980 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.247 -5.940 17.766 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.355 -7.480 17.778 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.678 -7.227 16.615 1.00 0.00 H new ATOM 1090 N ASP A 65 -0.216 -6.265 13.057 1.00 0.00 N ATOM 1091 CA ASP A 65 -1.043 -5.633 12.035 1.00 0.00 C ATOM 1092 C ASP A 65 -2.108 -6.593 11.514 1.00 0.00 C ATOM 1093 O ASP A 65 -3.172 -6.170 11.063 1.00 0.00 O ATOM 1094 CB ASP A 65 -0.172 -5.145 10.876 1.00 0.00 C ATOM 1095 CG ASP A 65 -0.657 -3.827 10.305 1.00 0.00 C ATOM 1096 OD1 ASP A 65 -1.770 -3.797 9.739 1.00 0.00 O ATOM 1097 OD2 ASP A 65 0.077 -2.823 10.422 1.00 0.00 O ATOM 0 H ASP A 65 0.751 -6.426 12.776 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.545 -4.780 12.492 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.856 -5.033 11.220 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.164 -5.898 10.088 1.00 0.00 H new ATOM 1102 N VAL A 66 -1.815 -7.888 11.576 1.00 0.00 N ATOM 1103 CA VAL A 66 -2.746 -8.906 11.108 1.00 0.00 C ATOM 1104 C VAL A 66 -2.811 -10.077 12.081 1.00 0.00 C ATOM 1105 O VAL A 66 -2.144 -10.075 13.115 1.00 0.00 O ATOM 1106 CB VAL A 66 -2.350 -9.431 9.714 1.00 0.00 C ATOM 1107 CG1 VAL A 66 -2.798 -8.463 8.630 1.00 0.00 C ATOM 1108 CG2 VAL A 66 -0.849 -9.672 9.641 1.00 0.00 C ATOM 0 H VAL A 66 -0.939 -8.257 11.946 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.727 -8.435 11.044 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.855 -10.382 9.547 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.509 -8.851 7.653 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.881 -8.349 8.669 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.325 -7.494 8.789 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.588 -10.042 8.650 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.321 -8.737 9.830 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.562 -10.409 10.391 1.00 0.00 H new ATOM 1118 N TYR A 67 -3.616 -11.075 11.742 1.00 0.00 N ATOM 1119 CA TYR A 67 -3.768 -12.255 12.585 1.00 0.00 C ATOM 1120 C TYR A 67 -3.923 -13.509 11.731 1.00 0.00 C ATOM 1121 O TYR A 67 -3.263 -14.521 11.971 1.00 0.00 O ATOM 1122 CB TYR A 67 -4.975 -12.098 13.513 1.00 0.00 C ATOM 1123 CG TYR A 67 -6.290 -11.956 12.782 1.00 0.00 C ATOM 1124 CD1 TYR A 67 -7.049 -13.072 12.453 1.00 0.00 C ATOM 1125 CD2 TYR A 67 -6.773 -10.704 12.421 1.00 0.00 C ATOM 1126 CE1 TYR A 67 -8.253 -12.944 11.787 1.00 0.00 C ATOM 1127 CE2 TYR A 67 -7.975 -10.568 11.754 1.00 0.00 C ATOM 1128 CZ TYR A 67 -8.711 -11.692 11.440 1.00 0.00 C ATOM 1129 OH TYR A 67 -9.909 -11.561 10.776 1.00 0.00 O ATOM 0 H TYR A 67 -4.175 -11.092 10.889 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.869 -12.357 13.193 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.029 -12.963 14.174 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.825 -11.223 14.145 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.692 -14.055 12.722 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.199 -9.823 12.666 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.832 -13.821 11.540 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -8.336 -9.588 11.480 1.00 0.00 H new ATOM 0 HH TYR A 67 -10.087 -10.612 10.607 1.00 0.00 H new ATOM 1139 N ARG A 68 -4.795 -13.432 10.732 1.00 0.00 N ATOM 1140 CA ARG A 68 -5.034 -14.557 9.837 1.00 0.00 C ATOM 1141 C ARG A 68 -3.856 -14.750 8.887 1.00 0.00 C ATOM 1142 O ARG A 68 -3.591 -15.861 8.426 1.00 0.00 O ATOM 1143 CB ARG A 68 -6.319 -14.332 9.036 1.00 0.00 C ATOM 1144 CG ARG A 68 -6.227 -13.182 8.044 1.00 0.00 C ATOM 1145 CD ARG A 68 -7.273 -12.114 8.323 1.00 0.00 C ATOM 1146 NE ARG A 68 -6.949 -10.847 7.670 1.00 0.00 N ATOM 1147 CZ ARG A 68 -6.257 -9.864 8.246 1.00 0.00 C ATOM 1148 NH1 ARG A 68 -5.801 -9.996 9.486 1.00 0.00 N ATOM 1149 NH2 ARG A 68 -6.018 -8.745 7.576 1.00 0.00 N ATOM 0 H ARG A 68 -5.348 -12.601 10.522 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.144 -15.457 10.441 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.566 -15.247 8.497 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.139 -14.139 9.728 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.232 -12.739 8.092 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.357 -13.564 7.031 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.247 -12.461 7.978 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.353 -11.957 9.399 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.273 -10.706 6.713 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.979 -10.855 10.006 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.272 -9.238 9.918 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.363 -8.638 6.622 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.489 -7.991 8.014 1.00 0.00 H new ATOM 1163 N ALA A 69 -3.151 -13.657 8.599 1.00 0.00 N ATOM 1164 CA ALA A 69 -2.000 -13.698 7.704 1.00 0.00 C ATOM 1165 C ALA A 69 -0.982 -14.739 8.160 1.00 0.00 C ATOM 1166 O ALA A 69 -1.214 -15.469 9.122 1.00 0.00 O ATOM 1167 CB ALA A 69 -1.355 -12.323 7.623 1.00 0.00 C ATOM 0 H ALA A 69 -3.359 -12.732 8.974 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.349 -13.986 6.712 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.496 -12.363 6.953 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.080 -11.603 7.242 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.026 -12.016 8.616 1.00 0.00 H new ATOM 1173 N ASP A 70 0.147 -14.800 7.460 1.00 0.00 N ATOM 1174 CA ASP A 70 1.201 -15.749 7.791 1.00 0.00 C ATOM 1175 C ASP A 70 2.492 -15.020 8.147 1.00 0.00 C ATOM 1176 O ASP A 70 2.840 -14.016 7.526 1.00 0.00 O ATOM 1177 CB ASP A 70 1.446 -16.700 6.618 1.00 0.00 C ATOM 1178 CG ASP A 70 1.999 -18.040 7.065 1.00 0.00 C ATOM 1179 OD1 ASP A 70 1.457 -18.611 8.035 1.00 0.00 O ATOM 1180 OD2 ASP A 70 2.973 -18.517 6.446 1.00 0.00 O ATOM 0 H ASP A 70 0.354 -14.202 6.660 1.00 0.00 H new ATOM 0 HA ASP A 70 0.879 -16.327 8.657 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.511 -16.857 6.080 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.143 -16.238 5.919 1.00 0.00 H new ATOM 1185 N ALA A 71 3.197 -15.531 9.153 1.00 0.00 N ATOM 1186 CA ALA A 71 4.451 -14.928 9.597 1.00 0.00 C ATOM 1187 C ALA A 71 5.384 -14.648 8.423 1.00 0.00 C ATOM 1188 O ALA A 71 6.209 -13.736 8.477 1.00 0.00 O ATOM 1189 CB ALA A 71 5.135 -15.829 10.613 1.00 0.00 C ATOM 0 H ALA A 71 2.921 -16.362 9.677 1.00 0.00 H new ATOM 0 HA ALA A 71 4.215 -13.974 10.068 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.069 -15.369 10.937 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.481 -15.968 11.474 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.346 -16.797 10.157 1.00 0.00 H new ATOM 1195 N LYS A 72 5.249 -15.437 7.363 1.00 0.00 N ATOM 1196 CA LYS A 72 6.080 -15.270 6.177 1.00 0.00 C ATOM 1197 C LYS A 72 5.601 -14.085 5.344 1.00 0.00 C ATOM 1198 O LYS A 72 6.399 -13.409 4.694 1.00 0.00 O ATOM 1199 CB LYS A 72 6.059 -16.545 5.331 1.00 0.00 C ATOM 1200 CG LYS A 72 6.182 -17.821 6.147 1.00 0.00 C ATOM 1201 CD LYS A 72 7.007 -18.872 5.422 1.00 0.00 C ATOM 1202 CE LYS A 72 7.588 -19.893 6.388 1.00 0.00 C ATOM 1203 NZ LYS A 72 7.462 -21.283 5.870 1.00 0.00 N ATOM 0 H LYS A 72 4.573 -16.198 7.301 1.00 0.00 H new ATOM 0 HA LYS A 72 7.102 -15.075 6.502 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.131 -16.577 4.761 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.875 -16.505 4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.643 -17.595 7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.188 -18.218 6.355 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.384 -19.380 4.686 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.815 -18.387 4.875 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.639 -19.666 6.567 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.077 -19.816 7.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.870 -21.948 6.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.458 -21.509 5.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.971 -21.364 4.967 1.00 0.00 H new ATOM 1217 N GLU A 73 4.295 -13.841 5.368 1.00 0.00 N ATOM 1218 CA GLU A 73 3.708 -12.739 4.615 1.00 0.00 C ATOM 1219 C GLU A 73 3.895 -11.411 5.343 1.00 0.00 C ATOM 1220 O GLU A 73 4.040 -10.364 4.712 1.00 0.00 O ATOM 1221 CB GLU A 73 2.219 -12.994 4.374 1.00 0.00 C ATOM 1222 CG GLU A 73 1.933 -14.305 3.660 1.00 0.00 C ATOM 1223 CD GLU A 73 2.629 -14.401 2.317 1.00 0.00 C ATOM 1224 OE1 GLU A 73 2.502 -13.453 1.513 1.00 0.00 O ATOM 1225 OE2 GLU A 73 3.302 -15.424 2.068 1.00 0.00 O ATOM 0 H GLU A 73 3.623 -14.392 5.901 1.00 0.00 H new ATOM 0 HA GLU A 73 4.222 -12.679 3.656 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.699 -12.991 5.332 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.809 -12.173 3.786 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.252 -15.135 4.291 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.858 -14.409 3.516 1.00 0.00 H new ATOM 1232 N ILE A 74 3.890 -11.458 6.673 1.00 0.00 N ATOM 1233 CA ILE A 74 4.056 -10.256 7.486 1.00 0.00 C ATOM 1234 C ILE A 74 5.212 -9.389 6.983 1.00 0.00 C ATOM 1235 O ILE A 74 5.035 -8.195 6.735 1.00 0.00 O ATOM 1236 CB ILE A 74 4.288 -10.600 8.974 1.00 0.00 C ATOM 1237 CG1 ILE A 74 3.207 -11.558 9.481 1.00 0.00 C ATOM 1238 CG2 ILE A 74 4.312 -9.332 9.813 1.00 0.00 C ATOM 1239 CD1 ILE A 74 1.795 -11.101 9.179 1.00 0.00 C ATOM 0 H ILE A 74 3.773 -12.317 7.211 1.00 0.00 H new ATOM 0 HA ILE A 74 3.127 -9.694 7.395 1.00 0.00 H new ATOM 0 HB ILE A 74 5.255 -11.095 9.066 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.365 -12.539 9.033 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.317 -11.678 10.559 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.476 -9.591 10.859 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.117 -8.683 9.469 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.359 -8.812 9.713 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.085 -11.831 9.569 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.617 -10.134 9.650 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.665 -11.009 8.101 1.00 0.00 H new ATOM 1251 N PRO A 75 6.419 -9.970 6.823 1.00 0.00 N ATOM 1252 CA PRO A 75 7.588 -9.225 6.346 1.00 0.00 C ATOM 1253 C PRO A 75 7.422 -8.729 4.911 1.00 0.00 C ATOM 1254 O PRO A 75 8.180 -7.876 4.449 1.00 0.00 O ATOM 1255 CB PRO A 75 8.729 -10.246 6.430 1.00 0.00 C ATOM 1256 CG PRO A 75 8.055 -11.574 6.395 1.00 0.00 C ATOM 1257 CD PRO A 75 6.737 -11.386 7.090 1.00 0.00 C ATOM 0 HA PRO A 75 7.759 -8.326 6.938 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.423 -10.133 5.597 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.306 -10.119 7.346 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.911 -11.912 5.369 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.657 -12.331 6.898 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.972 -12.053 6.692 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.812 -11.588 8.158 1.00 0.00 H new ATOM 1265 N ARG A 76 6.430 -9.270 4.208 1.00 0.00 N ATOM 1266 CA ARG A 76 6.172 -8.877 2.826 1.00 0.00 C ATOM 1267 C ARG A 76 5.043 -7.850 2.739 1.00 0.00 C ATOM 1268 O ARG A 76 4.644 -7.450 1.645 1.00 0.00 O ATOM 1269 CB ARG A 76 5.820 -10.105 1.983 1.00 0.00 C ATOM 1270 CG ARG A 76 6.686 -11.318 2.282 1.00 0.00 C ATOM 1271 CD ARG A 76 6.924 -12.155 1.035 1.00 0.00 C ATOM 1272 NE ARG A 76 5.985 -13.269 0.935 1.00 0.00 N ATOM 1273 CZ ARG A 76 6.196 -14.355 0.194 1.00 0.00 C ATOM 1274 NH1 ARG A 76 7.309 -14.474 -0.520 1.00 0.00 N ATOM 1275 NH2 ARG A 76 5.289 -15.323 0.162 1.00 0.00 N ATOM 0 H ARG A 76 5.794 -9.979 4.571 1.00 0.00 H new ATOM 0 HA ARG A 76 7.081 -8.418 2.437 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.775 -10.364 2.153 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.918 -9.851 0.928 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.643 -10.992 2.690 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.206 -11.930 3.046 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.832 -11.523 0.152 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.944 -12.540 1.046 1.00 0.00 H new ATOM 0 HE ARG A 76 5.115 -13.212 1.465 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.008 -13.731 -0.503 1.00 0.00 H new ATOM 0 HH12 ARG A 76 7.465 -15.308 -1.086 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.430 -15.235 0.705 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.451 -16.155 -0.406 1.00 0.00 H new ATOM 1289 N ILE A 77 4.530 -7.425 3.892 1.00 0.00 N ATOM 1290 CA ILE A 77 3.449 -6.449 3.932 1.00 0.00 C ATOM 1291 C ILE A 77 3.916 -5.134 4.552 1.00 0.00 C ATOM 1292 O ILE A 77 4.613 -5.128 5.568 1.00 0.00 O ATOM 1293 CB ILE A 77 2.243 -6.982 4.732 1.00 0.00 C ATOM 1294 CG1 ILE A 77 1.787 -8.330 4.167 1.00 0.00 C ATOM 1295 CG2 ILE A 77 1.097 -5.979 4.708 1.00 0.00 C ATOM 1296 CD1 ILE A 77 1.050 -9.191 5.169 1.00 0.00 C ATOM 0 H ILE A 77 4.847 -7.742 4.808 1.00 0.00 H new ATOM 0 HA ILE A 77 3.144 -6.272 2.901 1.00 0.00 H new ATOM 0 HB ILE A 77 2.551 -7.124 5.768 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.140 -8.154 3.307 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.658 -8.875 3.804 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.256 -6.374 5.278 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.427 -5.039 5.151 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.787 -5.805 3.678 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.758 -10.129 4.697 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.701 -9.399 6.018 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.159 -8.666 5.514 1.00 0.00 H new ATOM 1308 N PHE A 78 3.524 -4.023 3.937 1.00 0.00 N ATOM 1309 CA PHE A 78 3.899 -2.701 4.433 1.00 0.00 C ATOM 1310 C PHE A 78 2.669 -1.817 4.601 1.00 0.00 C ATOM 1311 O PHE A 78 1.691 -1.948 3.864 1.00 0.00 O ATOM 1312 CB PHE A 78 4.901 -2.037 3.485 1.00 0.00 C ATOM 1313 CG PHE A 78 4.507 -2.102 2.037 1.00 0.00 C ATOM 1314 CD1 PHE A 78 4.553 -3.303 1.345 1.00 0.00 C ATOM 1315 CD2 PHE A 78 4.096 -0.962 1.366 1.00 0.00 C ATOM 1316 CE1 PHE A 78 4.195 -3.363 0.013 1.00 0.00 C ATOM 1317 CE2 PHE A 78 3.735 -1.018 0.033 1.00 0.00 C ATOM 1318 CZ PHE A 78 3.786 -2.220 -0.645 1.00 0.00 C ATOM 0 H PHE A 78 2.948 -4.010 3.096 1.00 0.00 H new ATOM 0 HA PHE A 78 4.369 -2.826 5.408 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.020 -0.992 3.772 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.873 -2.514 3.608 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.872 -4.201 1.853 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.057 -0.019 1.890 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.235 -4.304 -0.515 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.413 -0.123 -0.478 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.507 -2.266 -1.687 1.00 0.00 H new ATOM 1328 N GLN A 79 2.721 -0.921 5.582 1.00 0.00 N ATOM 1329 CA GLN A 79 1.608 -0.018 5.855 1.00 0.00 C ATOM 1330 C GLN A 79 1.974 1.426 5.524 1.00 0.00 C ATOM 1331 O GLN A 79 3.082 1.878 5.814 1.00 0.00 O ATOM 1332 CB GLN A 79 1.192 -0.129 7.324 1.00 0.00 C ATOM 1333 CG GLN A 79 0.049 0.796 7.708 1.00 0.00 C ATOM 1334 CD GLN A 79 -0.053 1.004 9.206 1.00 0.00 C ATOM 1335 OE1 GLN A 79 0.582 1.900 9.765 1.00 0.00 O ATOM 1336 NE2 GLN A 79 -0.854 0.177 9.867 1.00 0.00 N ATOM 0 H GLN A 79 3.522 -0.801 6.201 1.00 0.00 H new ATOM 0 HA GLN A 79 0.772 -0.310 5.219 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.900 -1.158 7.533 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.054 0.092 7.954 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.187 1.761 7.219 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.889 0.382 7.337 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.362 -0.551 9.365 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.962 0.270 10.877 1.00 0.00 H new ATOM 1345 N ILE A 80 1.033 2.145 4.918 1.00 0.00 N ATOM 1346 CA ILE A 80 1.249 3.539 4.548 1.00 0.00 C ATOM 1347 C ILE A 80 0.207 4.446 5.196 1.00 0.00 C ATOM 1348 O ILE A 80 -0.976 4.378 4.866 1.00 0.00 O ATOM 1349 CB ILE A 80 1.191 3.733 3.019 1.00 0.00 C ATOM 1350 CG1 ILE A 80 1.995 2.641 2.308 1.00 0.00 C ATOM 1351 CG2 ILE A 80 1.705 5.115 2.639 1.00 0.00 C ATOM 1352 CD1 ILE A 80 1.133 1.645 1.567 1.00 0.00 C ATOM 0 H ILE A 80 0.111 1.783 4.673 1.00 0.00 H new ATOM 0 HA ILE A 80 2.243 3.809 4.906 1.00 0.00 H new ATOM 0 HB ILE A 80 0.152 3.654 2.699 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.684 3.108 1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.601 2.110 3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.658 5.236 1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.089 5.877 3.117 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.737 5.223 2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.768 0.900 1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.462 1.151 2.270 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.547 2.164 0.809 1.00 0.00 H new ATOM 1364 N LEU A 81 0.651 5.298 6.116 1.00 0.00 N ATOM 1365 CA LEU A 81 -0.252 6.218 6.800 1.00 0.00 C ATOM 1366 C LEU A 81 -0.374 7.530 6.036 1.00 0.00 C ATOM 1367 O LEU A 81 0.625 8.105 5.604 1.00 0.00 O ATOM 1368 CB LEU A 81 0.235 6.492 8.225 1.00 0.00 C ATOM 1369 CG LEU A 81 -0.642 7.458 9.030 1.00 0.00 C ATOM 1370 CD1 LEU A 81 -1.811 6.718 9.663 1.00 0.00 C ATOM 1371 CD2 LEU A 81 0.184 8.167 10.094 1.00 0.00 C ATOM 0 H LEU A 81 1.627 5.370 6.404 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.234 5.748 6.845 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.295 5.545 8.762 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.246 6.896 8.177 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.042 8.209 8.349 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.422 7.420 10.230 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.417 6.259 8.882 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.433 5.944 10.331 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.454 8.849 10.656 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.613 7.430 10.772 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.985 8.731 9.617 1.00 0.00 H new ATOM 1383 N TYR A 82 -1.606 8.000 5.874 1.00 0.00 N ATOM 1384 CA TYR A 82 -1.861 9.246 5.163 1.00 0.00 C ATOM 1385 C TYR A 82 -3.035 9.994 5.784 1.00 0.00 C ATOM 1386 O TYR A 82 -3.982 9.383 6.280 1.00 0.00 O ATOM 1387 CB TYR A 82 -2.142 8.967 3.686 1.00 0.00 C ATOM 1388 CG TYR A 82 -3.134 7.849 3.460 1.00 0.00 C ATOM 1389 CD1 TYR A 82 -2.804 6.533 3.757 1.00 0.00 C ATOM 1390 CD2 TYR A 82 -4.399 8.108 2.950 1.00 0.00 C ATOM 1391 CE1 TYR A 82 -3.706 5.507 3.552 1.00 0.00 C ATOM 1392 CE2 TYR A 82 -5.308 7.088 2.742 1.00 0.00 C ATOM 1393 CZ TYR A 82 -4.957 5.789 3.044 1.00 0.00 C ATOM 1394 OH TYR A 82 -5.859 4.771 2.840 1.00 0.00 O ATOM 0 H TYR A 82 -2.444 7.536 6.226 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.971 9.871 5.244 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.519 9.876 3.218 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.206 8.717 3.187 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -1.826 6.308 4.155 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.677 9.124 2.712 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -3.433 4.489 3.788 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.288 7.307 2.345 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.692 5.140 2.479 1.00 0.00 H new ATOM 1404 N ALA A 83 -2.969 11.321 5.755 1.00 0.00 N ATOM 1405 CA ALA A 83 -4.028 12.150 6.316 1.00 0.00 C ATOM 1406 C ALA A 83 -5.273 12.124 5.434 1.00 0.00 C ATOM 1407 O ALA A 83 -5.216 12.471 4.256 1.00 0.00 O ATOM 1408 CB ALA A 83 -3.540 13.578 6.497 1.00 0.00 C ATOM 0 H ALA A 83 -2.193 11.845 5.349 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.296 11.742 7.290 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.341 14.186 6.917 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.685 13.587 7.173 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.243 13.986 5.531 1.00 0.00 H new ATOM 1414 N ASN A 84 -6.396 11.708 6.013 1.00 0.00 N ATOM 1415 CA ASN A 84 -7.653 11.638 5.275 1.00 0.00 C ATOM 1416 C ASN A 84 -8.506 12.877 5.535 1.00 0.00 C ATOM 1417 O ASN A 84 -9.063 13.465 4.608 1.00 0.00 O ATOM 1418 CB ASN A 84 -8.423 10.369 5.658 1.00 0.00 C ATOM 1419 CG ASN A 84 -9.141 10.490 6.990 1.00 0.00 C ATOM 1420 OD1 ASN A 84 -10.285 10.941 7.052 1.00 0.00 O ATOM 1421 ND2 ASN A 84 -8.471 10.088 8.062 1.00 0.00 N ATOM 0 H ASN A 84 -6.461 11.415 6.988 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.423 11.601 4.210 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.151 10.143 4.879 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.730 9.529 5.700 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.902 10.146 8.984 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.525 9.721 7.964 1.00 0.00 H new ATOM 1428 N GLU A 85 -8.604 13.265 6.802 1.00 0.00 N ATOM 1429 CA GLU A 85 -9.390 14.432 7.188 1.00 0.00 C ATOM 1430 C GLU A 85 -8.517 15.467 7.893 1.00 0.00 C ATOM 1431 O GLU A 85 -8.653 16.668 7.662 1.00 0.00 O ATOM 1432 CB GLU A 85 -10.543 14.015 8.101 1.00 0.00 C ATOM 1433 CG GLU A 85 -11.706 13.374 7.359 1.00 0.00 C ATOM 1434 CD GLU A 85 -12.995 14.158 7.505 1.00 0.00 C ATOM 1435 OE1 GLU A 85 -13.072 15.281 6.963 1.00 0.00 O ATOM 1436 OE2 GLU A 85 -13.928 13.649 8.161 1.00 0.00 O ATOM 0 H GLU A 85 -8.149 12.788 7.580 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.796 14.882 6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.169 13.315 8.848 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.905 14.891 8.639 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.455 13.289 6.302 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.857 12.361 7.733 1.00 0.00 H new ATOM 1443 N GLY A 86 -7.622 14.991 8.753 1.00 0.00 N ATOM 1444 CA GLY A 86 -6.743 15.887 9.477 1.00 0.00 C ATOM 1445 C GLY A 86 -5.400 15.254 9.790 1.00 0.00 C ATOM 1446 O GLY A 86 -4.508 15.227 8.944 1.00 0.00 O ATOM 0 H GLY A 86 -7.491 14.001 8.960 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.587 16.792 8.889 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.224 16.190 10.407 1.00 0.00 H new ATOM 1450 N ILE A 87 -5.258 14.746 11.010 1.00 0.00 N ATOM 1451 CA ILE A 87 -4.014 14.113 11.432 1.00 0.00 C ATOM 1452 C ILE A 87 -4.286 12.824 12.201 1.00 0.00 C ATOM 1453 O ILE A 87 -3.958 11.732 11.739 1.00 0.00 O ATOM 1454 CB ILE A 87 -3.168 15.051 12.318 1.00 0.00 C ATOM 1455 CG1 ILE A 87 -3.316 16.504 11.861 1.00 0.00 C ATOM 1456 CG2 ILE A 87 -1.707 14.629 12.290 1.00 0.00 C ATOM 1457 CD1 ILE A 87 -4.446 17.241 12.544 1.00 0.00 C ATOM 0 H ILE A 87 -5.988 14.760 11.723 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.457 13.886 10.523 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.531 14.977 13.343 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.382 17.033 12.050 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.480 16.522 10.784 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.122 15.300 12.920 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.616 13.609 12.664 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.334 14.675 11.267 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -4.491 18.264 12.171 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.389 16.736 12.334 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.274 17.255 13.620 1.00 0.00 H new ATOM 1469 N SER A 88 -4.885 12.962 13.379 1.00 0.00 N ATOM 1470 CA SER A 88 -5.200 11.809 14.215 1.00 0.00 C ATOM 1471 C SER A 88 -6.113 10.831 13.480 1.00 0.00 C ATOM 1472 O SER A 88 -6.059 9.623 13.709 1.00 0.00 O ATOM 1473 CB SER A 88 -5.864 12.262 15.515 1.00 0.00 C ATOM 1474 OG SER A 88 -6.021 11.179 16.414 1.00 0.00 O ATOM 0 H SER A 88 -5.162 13.860 13.776 1.00 0.00 H new ATOM 0 HA SER A 88 -4.266 11.298 14.449 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.262 13.041 15.982 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.838 12.700 15.296 1.00 0.00 H new ATOM 0 HG SER A 88 -6.447 11.497 17.238 1.00 0.00 H new ATOM 1480 N SER A 89 -6.953 11.363 12.597 1.00 0.00 N ATOM 1481 CA SER A 89 -7.879 10.537 11.830 1.00 0.00 C ATOM 1482 C SER A 89 -7.168 9.833 10.676 1.00 0.00 C ATOM 1483 O SER A 89 -7.660 8.832 10.155 1.00 0.00 O ATOM 1484 CB SER A 89 -9.026 11.392 11.289 1.00 0.00 C ATOM 1485 OG SER A 89 -9.633 12.146 12.324 1.00 0.00 O ATOM 0 H SER A 89 -7.011 12.361 12.395 1.00 0.00 H new ATOM 0 HA SER A 89 -8.281 9.776 12.499 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.650 12.064 10.518 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.771 10.751 10.817 1.00 0.00 H new ATOM 0 HG SER A 89 -10.362 12.685 11.952 1.00 0.00 H new ATOM 1491 N ALA A 90 -6.010 10.364 10.281 1.00 0.00 N ATOM 1492 CA ALA A 90 -5.224 9.795 9.186 1.00 0.00 C ATOM 1493 C ALA A 90 -5.220 8.269 9.221 1.00 0.00 C ATOM 1494 O ALA A 90 -4.740 7.660 10.177 1.00 0.00 O ATOM 1495 CB ALA A 90 -3.799 10.321 9.236 1.00 0.00 C ATOM 0 H ALA A 90 -5.594 11.192 10.706 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.692 10.103 8.251 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.223 9.891 8.416 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.808 11.407 9.142 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.342 10.043 10.186 1.00 0.00 H new ATOM 1501 N LYS A 91 -5.754 7.659 8.168 1.00 0.00 N ATOM 1502 CA LYS A 91 -5.810 6.207 8.075 1.00 0.00 C ATOM 1503 C LYS A 91 -4.531 5.659 7.451 1.00 0.00 C ATOM 1504 O LYS A 91 -3.614 6.413 7.132 1.00 0.00 O ATOM 1505 CB LYS A 91 -7.023 5.771 7.249 1.00 0.00 C ATOM 1506 CG LYS A 91 -8.338 6.341 7.755 1.00 0.00 C ATOM 1507 CD LYS A 91 -8.687 5.800 9.131 1.00 0.00 C ATOM 1508 CE LYS A 91 -9.444 4.485 9.039 1.00 0.00 C ATOM 1509 NZ LYS A 91 -10.906 4.669 9.261 1.00 0.00 N ATOM 0 H LYS A 91 -6.154 8.149 7.368 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.907 5.805 9.083 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.877 6.079 6.214 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.083 4.683 7.252 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.272 7.428 7.796 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.136 6.096 7.054 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.774 5.655 9.708 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.291 6.532 9.668 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.279 4.039 8.058 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.050 3.787 9.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.386 3.749 9.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.066 5.071 10.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.288 5.315 8.541 1.00 0.00 H new ATOM 1523 N ASN A 92 -4.475 4.343 7.284 1.00 0.00 N ATOM 1524 CA ASN A 92 -3.303 3.699 6.701 1.00 0.00 C ATOM 1525 C ASN A 92 -3.699 2.761 5.566 1.00 0.00 C ATOM 1526 O ASN A 92 -4.871 2.419 5.406 1.00 0.00 O ATOM 1527 CB ASN A 92 -2.528 2.924 7.771 1.00 0.00 C ATOM 1528 CG ASN A 92 -3.422 2.362 8.861 1.00 0.00 C ATOM 1529 OD1 ASN A 92 -4.474 1.656 8.460 1.00 0.00 O flip ATOM 1530 ND2 ASN A 92 -3.172 2.561 10.049 1.00 0.00 N flip ATOM 0 H ASN A 92 -5.225 3.702 7.543 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.662 4.481 6.294 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.984 2.107 7.297 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.785 3.582 8.222 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.353 3.109 10.313 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.783 2.178 10.770 1.00 0.00 H new ATOM 1537 N LEU A 93 -2.710 2.347 4.779 1.00 0.00 N ATOM 1538 CA LEU A 93 -2.947 1.447 3.657 1.00 0.00 C ATOM 1539 C LEU A 93 -2.054 0.213 3.753 1.00 0.00 C ATOM 1540 O LEU A 93 -0.830 0.316 3.685 1.00 0.00 O ATOM 1541 CB LEU A 93 -2.700 2.172 2.331 1.00 0.00 C ATOM 1542 CG LEU A 93 -3.824 2.042 1.302 1.00 0.00 C ATOM 1543 CD1 LEU A 93 -3.631 3.042 0.172 1.00 0.00 C ATOM 1544 CD2 LEU A 93 -3.884 0.623 0.757 1.00 0.00 C ATOM 0 H LEU A 93 -1.735 2.622 4.899 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.987 1.124 3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.538 3.230 2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.779 1.789 1.891 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.771 2.261 1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.440 2.935 -0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.637 4.054 0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.677 2.854 -0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.689 0.548 0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.936 0.376 0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.070 -0.073 1.575 1.00 0.00 H new ATOM 1556 N LEU A 94 -2.675 -0.950 3.915 1.00 0.00 N ATOM 1557 CA LEU A 94 -1.935 -2.202 4.021 1.00 0.00 C ATOM 1558 C LEU A 94 -1.806 -2.868 2.657 1.00 0.00 C ATOM 1559 O LEU A 94 -2.804 -3.147 1.994 1.00 0.00 O ATOM 1560 CB LEU A 94 -2.633 -3.147 5.001 1.00 0.00 C ATOM 1561 CG LEU A 94 -2.462 -2.789 6.480 1.00 0.00 C ATOM 1562 CD1 LEU A 94 -1.059 -3.141 6.955 1.00 0.00 C ATOM 1563 CD2 LEU A 94 -2.749 -1.313 6.708 1.00 0.00 C ATOM 0 H LEU A 94 -3.688 -1.052 3.976 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.935 -1.979 4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.698 -3.166 4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.254 -4.156 4.841 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.178 -3.371 7.061 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.955 -2.880 8.008 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.889 -4.210 6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.327 -2.585 6.370 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.623 -1.077 7.765 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.058 -0.712 6.117 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.773 -1.091 6.406 1.00 0.00 H new ATOM 1575 N LEU A 95 -0.569 -3.113 2.238 1.00 0.00 N ATOM 1576 CA LEU A 95 -0.314 -3.735 0.950 1.00 0.00 C ATOM 1577 C LEU A 95 0.614 -4.937 1.087 1.00 0.00 C ATOM 1578 O LEU A 95 1.773 -4.802 1.480 1.00 0.00 O ATOM 1579 CB LEU A 95 0.286 -2.707 -0.008 1.00 0.00 C ATOM 1580 CG LEU A 95 -0.591 -1.476 -0.254 1.00 0.00 C ATOM 1581 CD1 LEU A 95 -0.003 -0.617 -1.359 1.00 0.00 C ATOM 1582 CD2 LEU A 95 -2.014 -1.894 -0.597 1.00 0.00 C ATOM 0 H LEU A 95 0.270 -2.889 2.773 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.262 -4.094 0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.247 -2.379 0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.484 -3.193 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.620 -0.884 0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.639 0.253 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.996 -0.288 -1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.057 -1.198 -2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.623 -1.006 -0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.006 -2.508 -1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.434 -2.468 0.229 1.00 0.00 H new ATOM 1594 N LEU A 96 0.091 -6.112 0.756 1.00 0.00 N ATOM 1595 CA LEU A 96 0.858 -7.349 0.833 1.00 0.00 C ATOM 1596 C LEU A 96 1.626 -7.584 -0.465 1.00 0.00 C ATOM 1597 O LEU A 96 1.048 -7.571 -1.551 1.00 0.00 O ATOM 1598 CB LEU A 96 -0.081 -8.526 1.125 1.00 0.00 C ATOM 1599 CG LEU A 96 0.492 -9.923 0.860 1.00 0.00 C ATOM 1600 CD1 LEU A 96 1.308 -10.401 2.050 1.00 0.00 C ATOM 1601 CD2 LEU A 96 -0.629 -10.904 0.553 1.00 0.00 C ATOM 0 H LEU A 96 -0.868 -6.234 0.430 1.00 0.00 H new ATOM 0 HA LEU A 96 1.581 -7.266 1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.385 -8.472 2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.982 -8.404 0.524 1.00 0.00 H new ATOM 0 HG LEU A 96 1.151 -9.868 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.706 -11.394 1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.132 -9.710 2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.672 -10.442 2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.207 -11.892 0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.311 -10.955 1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.173 -10.570 -0.330 1.00 0.00 H new ATOM 1613 N ALA A 97 2.931 -7.800 -0.344 1.00 0.00 N ATOM 1614 CA ALA A 97 3.776 -8.038 -1.507 1.00 0.00 C ATOM 1615 C ALA A 97 4.068 -9.525 -1.675 1.00 0.00 C ATOM 1616 O ALA A 97 4.320 -10.233 -0.699 1.00 0.00 O ATOM 1617 CB ALA A 97 5.073 -7.251 -1.385 1.00 0.00 C ATOM 0 H ALA A 97 3.426 -7.815 0.548 1.00 0.00 H new ATOM 0 HA ALA A 97 3.241 -7.698 -2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.695 -7.438 -2.260 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.848 -6.186 -1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.606 -7.565 -0.487 1.00 0.00 H new ATOM 1623 N ASN A 98 4.036 -9.992 -2.919 1.00 0.00 N ATOM 1624 CA ASN A 98 4.300 -11.397 -3.217 1.00 0.00 C ATOM 1625 C ASN A 98 5.666 -11.818 -2.681 1.00 0.00 C ATOM 1626 O ASN A 98 5.872 -12.977 -2.322 1.00 0.00 O ATOM 1627 CB ASN A 98 4.237 -11.644 -4.726 1.00 0.00 C ATOM 1628 CG ASN A 98 3.031 -10.989 -5.370 1.00 0.00 C ATOM 1629 OD1 ASN A 98 1.944 -11.566 -5.411 1.00 0.00 O ATOM 1630 ND2 ASN A 98 3.217 -9.777 -5.881 1.00 0.00 N ATOM 0 H ASN A 98 3.830 -9.419 -3.737 1.00 0.00 H new ATOM 0 HA ASN A 98 3.533 -11.996 -2.726 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.146 -11.263 -5.192 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.208 -12.717 -4.915 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.442 -9.288 -6.329 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.135 -9.335 -5.825 1.00 0.00 H new ATOM 1637 N SER A 99 6.591 -10.867 -2.627 1.00 0.00 N ATOM 1638 CA SER A 99 7.937 -11.136 -2.134 1.00 0.00 C ATOM 1639 C SER A 99 8.396 -10.035 -1.185 1.00 0.00 C ATOM 1640 O SER A 99 8.012 -8.875 -1.333 1.00 0.00 O ATOM 1641 CB SER A 99 8.915 -11.260 -3.302 1.00 0.00 C ATOM 1642 OG SER A 99 8.850 -12.547 -3.891 1.00 0.00 O ATOM 0 H SER A 99 6.434 -9.902 -2.919 1.00 0.00 H new ATOM 0 HA SER A 99 7.916 -12.078 -1.587 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.688 -10.502 -4.052 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.929 -11.068 -2.952 1.00 0.00 H new ATOM 0 HG SER A 99 9.484 -12.598 -4.636 1.00 0.00 H new ATOM 1648 N THR A 100 9.221 -10.405 -0.212 1.00 0.00 N ATOM 1649 CA THR A 100 9.735 -9.446 0.761 1.00 0.00 C ATOM 1650 C THR A 100 10.442 -8.290 0.063 1.00 0.00 C ATOM 1651 O THR A 100 10.238 -7.125 0.403 1.00 0.00 O ATOM 1652 CB THR A 100 10.697 -10.135 1.727 1.00 0.00 C ATOM 1653 OG1 THR A 100 10.349 -11.499 1.896 1.00 0.00 O ATOM 1654 CG2 THR A 100 10.731 -9.497 3.099 1.00 0.00 C ATOM 0 H THR A 100 9.549 -11.361 -0.075 1.00 0.00 H new ATOM 0 HA THR A 100 8.890 -9.047 1.322 1.00 0.00 H new ATOM 0 HB THR A 100 11.682 -10.032 1.273 1.00 0.00 H new ATOM 0 HG1 THR A 100 10.840 -12.045 1.247 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.434 -10.036 3.734 1.00 0.00 H new ATOM 0 HG22 THR A 100 11.047 -8.458 3.009 1.00 0.00 H new ATOM 0 HG23 THR A 100 9.737 -9.537 3.544 1.00 0.00 H new ATOM 1662 N GLU A 101 11.277 -8.623 -0.916 1.00 0.00 N ATOM 1663 CA GLU A 101 12.021 -7.619 -1.668 1.00 0.00 C ATOM 1664 C GLU A 101 11.086 -6.556 -2.241 1.00 0.00 C ATOM 1665 O GLU A 101 11.417 -5.371 -2.265 1.00 0.00 O ATOM 1666 CB GLU A 101 12.812 -8.282 -2.797 1.00 0.00 C ATOM 1667 CG GLU A 101 13.652 -9.463 -2.339 1.00 0.00 C ATOM 1668 CD GLU A 101 14.808 -9.753 -3.275 1.00 0.00 C ATOM 1669 OE1 GLU A 101 14.559 -9.953 -4.482 1.00 0.00 O ATOM 1670 OE2 GLU A 101 15.964 -9.781 -2.801 1.00 0.00 O ATOM 0 H GLU A 101 11.456 -9.584 -1.208 1.00 0.00 H new ATOM 0 HA GLU A 101 12.715 -7.131 -0.983 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.118 -8.618 -3.567 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.464 -7.540 -3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 101 14.039 -9.263 -1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.019 -10.347 -2.264 1.00 0.00 H new ATOM 1677 N GLU A 102 9.916 -6.990 -2.699 1.00 0.00 N ATOM 1678 CA GLU A 102 8.933 -6.076 -3.270 1.00 0.00 C ATOM 1679 C GLU A 102 8.510 -5.026 -2.247 1.00 0.00 C ATOM 1680 O GLU A 102 8.363 -3.850 -2.575 1.00 0.00 O ATOM 1681 CB GLU A 102 7.708 -6.852 -3.761 1.00 0.00 C ATOM 1682 CG GLU A 102 6.990 -6.185 -4.921 1.00 0.00 C ATOM 1683 CD GLU A 102 7.231 -6.891 -6.241 1.00 0.00 C ATOM 1684 OE1 GLU A 102 8.227 -6.560 -6.918 1.00 0.00 O ATOM 1685 OE2 GLU A 102 6.423 -7.775 -6.598 1.00 0.00 O ATOM 0 H GLU A 102 9.626 -7.968 -2.686 1.00 0.00 H new ATOM 0 HA GLU A 102 9.394 -5.567 -4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.019 -7.852 -4.064 1.00 0.00 H new ATOM 0 HB3 GLU A 102 7.009 -6.973 -2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.920 -6.162 -4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.321 -5.150 -5.001 1.00 0.00 H new ATOM 1692 N GLN A 103 8.316 -5.461 -1.006 1.00 0.00 N ATOM 1693 CA GLN A 103 7.912 -4.559 0.066 1.00 0.00 C ATOM 1694 C GLN A 103 9.004 -3.533 0.358 1.00 0.00 C ATOM 1695 O GLN A 103 8.716 -2.382 0.684 1.00 0.00 O ATOM 1696 CB GLN A 103 7.586 -5.355 1.333 1.00 0.00 C ATOM 1697 CG GLN A 103 7.275 -4.485 2.542 1.00 0.00 C ATOM 1698 CD GLN A 103 8.424 -4.432 3.531 1.00 0.00 C ATOM 1699 OE1 GLN A 103 9.211 -3.364 3.468 1.00 0.00 O flip ATOM 1700 NE2 GLN A 103 8.602 -5.341 4.342 1.00 0.00 N flip ATOM 0 H GLN A 103 8.432 -6.433 -0.718 1.00 0.00 H new ATOM 0 HA GLN A 103 7.019 -4.025 -0.259 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.732 -6.003 1.134 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.430 -6.003 1.571 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.041 -3.474 2.208 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.386 -4.869 3.043 1.00 0.00 H new ATOM 0 HE21 GLN A 103 7.972 -6.143 4.355 1.00 0.00 H new ATOM 0 HE22 GLN A 103 9.379 -5.292 5.001 1.00 0.00 H new ATOM 1709 N GLN A 104 10.258 -3.955 0.233 1.00 0.00 N ATOM 1710 CA GLN A 104 11.389 -3.066 0.484 1.00 0.00 C ATOM 1711 C GLN A 104 11.467 -1.982 -0.585 1.00 0.00 C ATOM 1712 O GLN A 104 11.685 -0.809 -0.282 1.00 0.00 O ATOM 1713 CB GLN A 104 12.709 -3.847 0.521 1.00 0.00 C ATOM 1714 CG GLN A 104 12.581 -5.269 1.047 1.00 0.00 C ATOM 1715 CD GLN A 104 11.782 -5.355 2.331 1.00 0.00 C ATOM 1716 OE1 GLN A 104 11.568 -4.352 3.013 1.00 0.00 O ATOM 1717 NE2 GLN A 104 11.336 -6.560 2.670 1.00 0.00 N ATOM 0 H GLN A 104 10.517 -4.903 -0.039 1.00 0.00 H new ATOM 0 HA GLN A 104 11.232 -2.600 1.457 1.00 0.00 H new ATOM 0 HB2 GLN A 104 13.126 -3.881 -0.486 1.00 0.00 H new ATOM 0 HB3 GLN A 104 13.421 -3.305 1.143 1.00 0.00 H new ATOM 0 HG2 GLN A 104 12.106 -5.890 0.288 1.00 0.00 H new ATOM 0 HG3 GLN A 104 13.577 -5.679 1.217 1.00 0.00 H new ATOM 0 HE21 GLN A 104 11.537 -7.364 2.075 1.00 0.00 H new ATOM 0 HE22 GLN A 104 10.793 -6.681 3.525 1.00 0.00 H new ATOM 1726 N LYS A 105 11.290 -2.385 -1.839 1.00 0.00 N ATOM 1727 CA LYS A 105 11.339 -1.452 -2.958 1.00 0.00 C ATOM 1728 C LYS A 105 10.124 -0.531 -2.956 1.00 0.00 C ATOM 1729 O LYS A 105 10.256 0.688 -3.071 1.00 0.00 O ATOM 1730 CB LYS A 105 11.415 -2.217 -4.284 1.00 0.00 C ATOM 1731 CG LYS A 105 11.254 -1.334 -5.512 1.00 0.00 C ATOM 1732 CD LYS A 105 11.240 -2.153 -6.794 1.00 0.00 C ATOM 1733 CE LYS A 105 10.119 -1.716 -7.723 1.00 0.00 C ATOM 1734 NZ LYS A 105 10.227 -2.356 -9.064 1.00 0.00 N ATOM 0 H LYS A 105 11.111 -3.353 -2.106 1.00 0.00 H new ATOM 0 HA LYS A 105 12.234 -0.839 -2.848 1.00 0.00 H new ATOM 0 HB2 LYS A 105 12.374 -2.732 -4.341 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.640 -2.984 -4.295 1.00 0.00 H new ATOM 0 HG2 LYS A 105 10.327 -0.766 -5.433 1.00 0.00 H new ATOM 0 HG3 LYS A 105 12.069 -0.611 -5.550 1.00 0.00 H new ATOM 0 HD2 LYS A 105 12.198 -2.049 -7.304 1.00 0.00 H new ATOM 0 HD3 LYS A 105 11.122 -3.209 -6.551 1.00 0.00 H new ATOM 0 HE2 LYS A 105 9.158 -1.970 -7.276 1.00 0.00 H new ATOM 0 HE3 LYS A 105 10.142 -0.632 -7.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 9.444 -2.032 -9.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 11.133 -2.094 -9.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 10.179 -3.390 -8.960 1.00 0.00 H new ATOM 1748 N TRP A 106 8.938 -1.121 -2.837 1.00 0.00 N ATOM 1749 CA TRP A 106 7.701 -0.347 -2.834 1.00 0.00 C ATOM 1750 C TRP A 106 7.721 0.730 -1.752 1.00 0.00 C ATOM 1751 O TRP A 106 7.453 1.900 -2.021 1.00 0.00 O ATOM 1752 CB TRP A 106 6.500 -1.262 -2.626 1.00 0.00 C ATOM 1753 CG TRP A 106 5.763 -1.540 -3.894 1.00 0.00 C ATOM 1754 CD1 TRP A 106 6.010 -2.550 -4.770 1.00 0.00 C ATOM 1755 CD2 TRP A 106 4.672 -0.791 -4.441 1.00 0.00 C ATOM 1756 NE1 TRP A 106 5.126 -2.493 -5.820 1.00 0.00 N ATOM 1757 CE2 TRP A 106 4.298 -1.417 -5.643 1.00 0.00 C ATOM 1758 CE3 TRP A 106 3.971 0.345 -4.028 1.00 0.00 C ATOM 1759 CZ2 TRP A 106 3.256 -0.947 -6.435 1.00 0.00 C ATOM 1760 CZ3 TRP A 106 2.937 0.811 -4.820 1.00 0.00 C ATOM 1761 CH2 TRP A 106 2.589 0.165 -6.008 1.00 0.00 C ATOM 0 H TRP A 106 8.808 -2.128 -2.742 1.00 0.00 H new ATOM 0 HA TRP A 106 7.617 0.143 -3.804 1.00 0.00 H new ATOM 0 HB2 TRP A 106 6.836 -2.204 -2.192 1.00 0.00 H new ATOM 0 HB3 TRP A 106 5.820 -0.805 -1.908 1.00 0.00 H new ATOM 0 HD1 TRP A 106 6.788 -3.290 -4.657 1.00 0.00 H new ATOM 0 HE1 TRP A 106 5.092 -3.145 -6.603 1.00 0.00 H new ATOM 0 HE3 TRP A 106 4.231 0.849 -3.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 2.984 -1.444 -7.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 2.389 1.690 -4.514 1.00 0.00 H new ATOM 0 HH2 TRP A 106 1.775 0.553 -6.602 1.00 0.00 H new ATOM 1772 N VAL A 107 8.036 0.320 -0.529 1.00 0.00 N ATOM 1773 CA VAL A 107 8.083 1.240 0.601 1.00 0.00 C ATOM 1774 C VAL A 107 9.227 2.239 0.463 1.00 0.00 C ATOM 1775 O VAL A 107 9.025 3.447 0.581 1.00 0.00 O ATOM 1776 CB VAL A 107 8.236 0.479 1.934 1.00 0.00 C ATOM 1777 CG1 VAL A 107 8.178 1.437 3.114 1.00 0.00 C ATOM 1778 CG2 VAL A 107 7.166 -0.597 2.059 1.00 0.00 C ATOM 0 H VAL A 107 8.263 -0.646 -0.294 1.00 0.00 H new ATOM 0 HA VAL A 107 7.138 1.783 0.603 1.00 0.00 H new ATOM 0 HB VAL A 107 9.213 -0.005 1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.288 0.877 4.043 1.00 0.00 H new ATOM 0 HG12 VAL A 107 8.985 2.165 3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.219 1.956 3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.289 -1.124 3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.179 -0.135 2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.263 -1.304 1.235 1.00 0.00 H new ATOM 1788 N SER A 108 10.430 1.728 0.222 1.00 0.00 N ATOM 1789 CA SER A 108 11.607 2.579 0.077 1.00 0.00 C ATOM 1790 C SER A 108 11.432 3.586 -1.055 1.00 0.00 C ATOM 1791 O SER A 108 11.887 4.727 -0.958 1.00 0.00 O ATOM 1792 CB SER A 108 12.849 1.723 -0.177 1.00 0.00 C ATOM 1793 OG SER A 108 13.156 0.922 0.950 1.00 0.00 O ATOM 0 H SER A 108 10.616 0.730 0.123 1.00 0.00 H new ATOM 0 HA SER A 108 11.732 3.134 1.007 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.684 1.086 -1.046 1.00 0.00 H new ATOM 0 HB3 SER A 108 13.697 2.367 -0.411 1.00 0.00 H new ATOM 0 HG SER A 108 12.844 0.006 0.795 1.00 0.00 H new ATOM 1799 N ARG A 109 10.776 3.162 -2.130 1.00 0.00 N ATOM 1800 CA ARG A 109 10.551 4.035 -3.277 1.00 0.00 C ATOM 1801 C ARG A 109 9.455 5.059 -2.987 1.00 0.00 C ATOM 1802 O ARG A 109 9.659 6.263 -3.144 1.00 0.00 O ATOM 1803 CB ARG A 109 10.183 3.208 -4.510 1.00 0.00 C ATOM 1804 CG ARG A 109 11.376 2.540 -5.173 1.00 0.00 C ATOM 1805 CD ARG A 109 12.090 3.488 -6.123 1.00 0.00 C ATOM 1806 NE ARG A 109 13.273 2.874 -6.721 1.00 0.00 N ATOM 1807 CZ ARG A 109 14.243 3.561 -7.322 1.00 0.00 C ATOM 1808 NH1 ARG A 109 14.173 4.884 -7.409 1.00 0.00 N ATOM 1809 NH2 ARG A 109 15.284 2.923 -7.838 1.00 0.00 N ATOM 0 H ARG A 109 10.392 2.223 -2.231 1.00 0.00 H new ATOM 0 HA ARG A 109 11.477 4.575 -3.473 1.00 0.00 H new ATOM 0 HB2 ARG A 109 9.462 2.443 -4.222 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.689 3.854 -5.236 1.00 0.00 H new ATOM 0 HG2 ARG A 109 12.073 2.196 -4.409 1.00 0.00 H new ATOM 0 HG3 ARG A 109 11.043 1.658 -5.720 1.00 0.00 H new ATOM 0 HD2 ARG A 109 11.404 3.796 -6.912 1.00 0.00 H new ATOM 0 HD3 ARG A 109 12.382 4.389 -5.584 1.00 0.00 H new ATOM 0 HE ARG A 109 13.361 1.859 -6.676 1.00 0.00 H new ATOM 0 HH11 ARG A 109 13.373 5.379 -7.014 1.00 0.00 H new ATOM 0 HH12 ARG A 109 14.919 5.405 -7.870 1.00 0.00 H new ATOM 0 HH21 ARG A 109 15.342 1.907 -7.775 1.00 0.00 H new ATOM 0 HH22 ARG A 109 16.027 3.448 -8.298 1.00 0.00 H new ATOM 1823 N LEU A 110 8.291 4.569 -2.569 1.00 0.00 N ATOM 1824 CA LEU A 110 7.161 5.441 -2.267 1.00 0.00 C ATOM 1825 C LEU A 110 7.498 6.413 -1.140 1.00 0.00 C ATOM 1826 O LEU A 110 7.098 7.577 -1.174 1.00 0.00 O ATOM 1827 CB LEU A 110 5.929 4.607 -1.901 1.00 0.00 C ATOM 1828 CG LEU A 110 5.904 4.062 -0.472 1.00 0.00 C ATOM 1829 CD1 LEU A 110 5.321 5.094 0.481 1.00 0.00 C ATOM 1830 CD2 LEU A 110 5.109 2.766 -0.409 1.00 0.00 C ATOM 0 H LEU A 110 8.106 3.575 -2.432 1.00 0.00 H new ATOM 0 HA LEU A 110 6.939 6.026 -3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.040 5.218 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.862 3.767 -2.593 1.00 0.00 H new ATOM 0 HG LEU A 110 6.928 3.851 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.311 4.690 1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.931 5.997 0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.303 5.336 0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.102 2.393 0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.085 2.951 -0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.569 2.025 -1.062 1.00 0.00 H new ATOM 1842 N VAL A 111 8.239 5.934 -0.146 1.00 0.00 N ATOM 1843 CA VAL A 111 8.625 6.771 0.983 1.00 0.00 C ATOM 1844 C VAL A 111 9.645 7.818 0.556 1.00 0.00 C ATOM 1845 O VAL A 111 9.570 8.977 0.962 1.00 0.00 O ATOM 1846 CB VAL A 111 9.202 5.932 2.144 1.00 0.00 C ATOM 1847 CG1 VAL A 111 10.568 5.367 1.784 1.00 0.00 C ATOM 1848 CG2 VAL A 111 9.280 6.764 3.415 1.00 0.00 C ATOM 0 H VAL A 111 8.583 4.975 -0.100 1.00 0.00 H new ATOM 0 HA VAL A 111 7.722 7.270 1.335 1.00 0.00 H new ATOM 0 HB VAL A 111 8.530 5.093 2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.951 4.781 2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.478 4.730 0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.255 6.185 1.570 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.689 6.157 4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.925 7.626 3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.282 7.106 3.688 1.00 0.00 H new ATOM 1858 N LYS A 112 10.593 7.402 -0.279 1.00 0.00 N ATOM 1859 CA LYS A 112 11.622 8.306 -0.774 1.00 0.00 C ATOM 1860 C LYS A 112 10.993 9.431 -1.588 1.00 0.00 C ATOM 1861 O LYS A 112 11.518 10.543 -1.644 1.00 0.00 O ATOM 1862 CB LYS A 112 12.634 7.543 -1.630 1.00 0.00 C ATOM 1863 CG LYS A 112 13.827 7.024 -0.844 1.00 0.00 C ATOM 1864 CD LYS A 112 14.987 6.670 -1.762 1.00 0.00 C ATOM 1865 CE LYS A 112 14.604 5.578 -2.747 1.00 0.00 C ATOM 1866 NZ LYS A 112 15.777 4.753 -3.145 1.00 0.00 N ATOM 0 H LYS A 112 10.668 6.446 -0.626 1.00 0.00 H new ATOM 0 HA LYS A 112 12.141 8.739 0.081 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.132 6.703 -2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.990 8.197 -2.426 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.147 7.779 -0.126 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.532 6.144 -0.272 1.00 0.00 H new ATOM 0 HD2 LYS A 112 15.305 7.558 -2.308 1.00 0.00 H new ATOM 0 HD3 LYS A 112 15.838 6.341 -1.165 1.00 0.00 H new ATOM 0 HE2 LYS A 112 13.844 4.937 -2.301 1.00 0.00 H new ATOM 0 HE3 LYS A 112 14.160 6.029 -3.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 15.474 4.020 -3.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 16.492 5.360 -3.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 16.186 4.302 -2.302 1.00 0.00 H new ATOM 1880 N LYS A 113 9.857 9.132 -2.213 1.00 0.00 N ATOM 1881 CA LYS A 113 9.147 10.116 -3.023 1.00 0.00 C ATOM 1882 C LYS A 113 8.492 11.176 -2.142 1.00 0.00 C ATOM 1883 O LYS A 113 8.245 12.297 -2.585 1.00 0.00 O ATOM 1884 CB LYS A 113 8.087 9.427 -3.886 1.00 0.00 C ATOM 1885 CG LYS A 113 8.661 8.707 -5.095 1.00 0.00 C ATOM 1886 CD LYS A 113 7.563 8.225 -6.029 1.00 0.00 C ATOM 1887 CE LYS A 113 7.366 9.177 -7.199 1.00 0.00 C ATOM 1888 NZ LYS A 113 8.016 8.671 -8.440 1.00 0.00 N ATOM 0 H LYS A 113 9.409 8.216 -2.174 1.00 0.00 H new ATOM 0 HA LYS A 113 9.872 10.607 -3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 113 7.541 8.711 -3.273 1.00 0.00 H new ATOM 0 HB3 LYS A 113 7.367 10.171 -4.225 1.00 0.00 H new ATOM 0 HG2 LYS A 113 9.331 9.377 -5.634 1.00 0.00 H new ATOM 0 HG3 LYS A 113 9.258 7.857 -4.764 1.00 0.00 H new ATOM 0 HD2 LYS A 113 7.813 7.233 -6.405 1.00 0.00 H new ATOM 0 HD3 LYS A 113 6.629 8.130 -5.475 1.00 0.00 H new ATOM 0 HE2 LYS A 113 6.300 9.317 -7.378 1.00 0.00 H new ATOM 0 HE3 LYS A 113 7.777 10.154 -6.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 7.859 9.347 -9.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 9.037 8.562 -8.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 7.606 7.750 -8.696 1.00 0.00 H new ATOM 1902 N ILE A 114 8.212 10.815 -0.892 1.00 0.00 N ATOM 1903 CA ILE A 114 7.586 11.736 0.049 1.00 0.00 C ATOM 1904 C ILE A 114 8.433 12.996 0.226 1.00 0.00 C ATOM 1905 O ILE A 114 9.654 12.917 0.357 1.00 0.00 O ATOM 1906 CB ILE A 114 7.373 11.075 1.426 1.00 0.00 C ATOM 1907 CG1 ILE A 114 6.618 9.751 1.272 1.00 0.00 C ATOM 1908 CG2 ILE A 114 6.619 12.014 2.356 1.00 0.00 C ATOM 1909 CD1 ILE A 114 6.352 9.051 2.588 1.00 0.00 C ATOM 0 H ILE A 114 8.409 9.891 -0.509 1.00 0.00 H new ATOM 0 HA ILE A 114 6.616 12.007 -0.368 1.00 0.00 H new ATOM 0 HB ILE A 114 8.349 10.867 1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.668 9.940 0.771 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.193 9.087 0.626 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.477 11.532 3.323 1.00 0.00 H new ATOM 0 HG22 ILE A 114 7.192 12.932 2.489 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.647 12.252 1.923 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.814 8.121 2.403 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.299 8.831 3.081 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.751 9.696 3.228 1.00 0.00 H new ATOM 1921 N PRO A 115 7.795 14.181 0.231 1.00 0.00 N ATOM 1922 CA PRO A 115 8.501 15.455 0.394 1.00 0.00 C ATOM 1923 C PRO A 115 9.024 15.649 1.813 1.00 0.00 C ATOM 1924 O PRO A 115 10.147 16.114 2.013 1.00 0.00 O ATOM 1925 CB PRO A 115 7.431 16.499 0.070 1.00 0.00 C ATOM 1926 CG PRO A 115 6.140 15.830 0.393 1.00 0.00 C ATOM 1927 CD PRO A 115 6.339 14.372 0.081 1.00 0.00 C ATOM 0 HA PRO A 115 9.382 15.518 -0.245 1.00 0.00 H new ATOM 0 HB2 PRO A 115 7.568 17.403 0.663 1.00 0.00 H new ATOM 0 HB3 PRO A 115 7.472 16.796 -0.978 1.00 0.00 H new ATOM 0 HG2 PRO A 115 5.878 15.972 1.442 1.00 0.00 H new ATOM 0 HG3 PRO A 115 5.325 16.248 -0.198 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.778 13.735 0.765 1.00 0.00 H new ATOM 0 HD3 PRO A 115 6.004 14.128 -0.927 1.00 0.00 H new