USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 747 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 29 HIS : no HD1:sc= -0.396 X(o=-0.4,f=-0.65) USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 134:sc= 0.0666 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0597 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -62:sc= 1.12 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 12:sc= 0.55 USER MOD Single : A 36 ASN : amide:sc= -4.34! C(o=-4.3!,f=-3.4!) USER MOD Single : A 37 SER OG : rot -6:sc= -7.08! USER MOD Single : A 38 ASN : amide:sc= -5.71! C(o=-5.7!,f=-7.5!) USER MOD Single : A 43 LYS NZ :NH3+ -138:sc= 0.872 (180deg=-1.61!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.54 K(o=-1.5,f=-0.92) USER MOD Single : A 47 SER OG : rot -64:sc= -0.921 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -7.05! C(o=-7!,f=-6.3!) USER MOD Single : A 52 CYS SG : rot 65:sc= -2.15! USER MOD Single : A 53 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.27) USER MOD Single : A 62 THR OG1 : rot -43:sc= 0.667 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.265 X(o=-0.26,f=-0.54) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.0135 X(o=-0.014,f=-0.063) USER MOD Single : A 81 SER OG : rot -71:sc= 0.21 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -0.639 X(o=-0.64,f=-0.33) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.052 -21.780 11.043 1.00 0.00 N ATOM 2 CA GLY A 1 -3.654 -21.291 9.814 1.00 0.00 C ATOM 3 C GLY A 1 -5.151 -21.038 10.001 1.00 0.00 C ATOM 4 O GLY A 1 -5.789 -21.661 10.848 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.439 -22.593 10.830 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.485 -21.024 11.477 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.800 -22.074 11.703 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.161 -20.369 9.505 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.501 -22.017 9.016 1.00 0.00 H new ATOM 8 N SER A 2 -5.669 -20.123 9.194 1.00 0.00 N ATOM 9 CA SER A 2 -7.079 -19.780 9.260 1.00 0.00 C ATOM 10 C SER A 2 -7.471 -19.446 10.701 1.00 0.00 C ATOM 11 O SER A 2 -7.900 -20.323 11.450 1.00 0.00 O ATOM 12 CB SER A 2 -7.949 -20.919 8.724 1.00 0.00 C ATOM 13 OG SER A 2 -9.085 -20.434 8.014 1.00 0.00 O ATOM 0 H SER A 2 -5.137 -19.609 8.491 1.00 0.00 H new ATOM 0 HA SER A 2 -7.247 -18.904 8.633 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.353 -21.552 8.066 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.280 -21.544 9.554 1.00 0.00 H new ATOM 0 HG SER A 2 -9.614 -21.191 7.686 1.00 0.00 H new ATOM 19 N SER A 3 -7.308 -18.178 11.046 1.00 0.00 N ATOM 20 CA SER A 3 -7.639 -17.718 12.384 1.00 0.00 C ATOM 21 C SER A 3 -8.426 -16.408 12.308 1.00 0.00 C ATOM 22 O SER A 3 -8.293 -15.655 11.344 1.00 0.00 O ATOM 23 CB SER A 3 -6.377 -17.530 13.230 1.00 0.00 C ATOM 24 OG SER A 3 -6.390 -18.348 14.396 1.00 0.00 O ATOM 0 H SER A 3 -6.951 -17.454 10.422 1.00 0.00 H new ATOM 0 HA SER A 3 -8.256 -18.478 12.863 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.499 -17.768 12.630 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.289 -16.484 13.522 1.00 0.00 H new ATOM 0 HG SER A 3 -5.568 -18.201 14.908 1.00 0.00 H new ATOM 30 N GLY A 4 -9.229 -16.177 13.336 1.00 0.00 N ATOM 31 CA GLY A 4 -10.038 -14.971 13.397 1.00 0.00 C ATOM 32 C GLY A 4 -9.219 -13.741 12.999 1.00 0.00 C ATOM 33 O GLY A 4 -8.031 -13.657 13.303 1.00 0.00 O ATOM 0 H GLY A 4 -9.337 -16.804 14.133 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.897 -15.071 12.733 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.429 -14.841 14.406 1.00 0.00 H new ATOM 37 N SER A 5 -9.889 -12.818 12.324 1.00 0.00 N ATOM 38 CA SER A 5 -9.239 -11.597 11.880 1.00 0.00 C ATOM 39 C SER A 5 -9.611 -10.439 12.808 1.00 0.00 C ATOM 40 O SER A 5 -8.736 -9.737 13.313 1.00 0.00 O ATOM 41 CB SER A 5 -9.619 -11.263 10.436 1.00 0.00 C ATOM 42 OG SER A 5 -9.209 -9.950 10.066 1.00 0.00 O ATOM 0 H SER A 5 -10.875 -12.892 12.074 1.00 0.00 H new ATOM 0 HA SER A 5 -8.161 -11.752 11.916 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.161 -11.989 9.764 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.699 -11.353 10.315 1.00 0.00 H new ATOM 0 HG SER A 5 -9.468 -9.776 9.137 1.00 0.00 H new ATOM 48 N SER A 6 -10.911 -10.275 13.005 1.00 0.00 N ATOM 49 CA SER A 6 -11.410 -9.214 13.864 1.00 0.00 C ATOM 50 C SER A 6 -10.989 -7.852 13.310 1.00 0.00 C ATOM 51 O SER A 6 -9.915 -7.720 12.726 1.00 0.00 O ATOM 52 CB SER A 6 -10.906 -9.384 15.298 1.00 0.00 C ATOM 53 OG SER A 6 -11.769 -10.212 16.073 1.00 0.00 O ATOM 0 H SER A 6 -11.634 -10.859 12.585 1.00 0.00 H new ATOM 0 HA SER A 6 -12.498 -9.271 13.882 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.906 -9.818 15.282 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.822 -8.406 15.771 1.00 0.00 H new ATOM 0 HG SER A 6 -11.412 -10.297 16.982 1.00 0.00 H new ATOM 59 N GLY A 7 -11.858 -6.872 13.514 1.00 0.00 N ATOM 60 CA GLY A 7 -11.589 -5.524 13.043 1.00 0.00 C ATOM 61 C GLY A 7 -12.615 -5.096 11.991 1.00 0.00 C ATOM 62 O GLY A 7 -13.681 -4.585 12.330 1.00 0.00 O ATOM 0 H GLY A 7 -12.748 -6.985 13.999 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.613 -4.830 13.883 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.586 -5.476 12.619 1.00 0.00 H new ATOM 66 N VAL A 8 -12.256 -5.322 10.735 1.00 0.00 N ATOM 67 CA VAL A 8 -13.132 -4.966 9.632 1.00 0.00 C ATOM 68 C VAL A 8 -13.585 -3.514 9.793 1.00 0.00 C ATOM 69 O VAL A 8 -13.233 -2.855 10.771 1.00 0.00 O ATOM 70 CB VAL A 8 -14.300 -5.951 9.552 1.00 0.00 C ATOM 71 CG1 VAL A 8 -15.320 -5.683 10.661 1.00 0.00 C ATOM 72 CG2 VAL A 8 -14.963 -5.905 8.174 1.00 0.00 C ATOM 0 H VAL A 8 -11.371 -5.747 10.458 1.00 0.00 H new ATOM 0 HA VAL A 8 -12.599 -5.037 8.684 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.902 -6.955 9.698 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -16.140 -6.397 10.581 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.838 -5.791 11.633 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -15.710 -4.670 10.560 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.790 -6.615 8.144 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.340 -4.900 7.985 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.232 -6.168 7.409 1.00 0.00 H new ATOM 82 N SER A 9 -14.358 -3.057 8.819 1.00 0.00 N ATOM 83 CA SER A 9 -14.863 -1.694 8.841 1.00 0.00 C ATOM 84 C SER A 9 -13.732 -0.712 8.530 1.00 0.00 C ATOM 85 O SER A 9 -12.556 -1.055 8.651 1.00 0.00 O ATOM 86 CB SER A 9 -15.496 -1.363 10.194 1.00 0.00 C ATOM 87 OG SER A 9 -16.714 -0.639 10.051 1.00 0.00 O ATOM 0 H SER A 9 -14.647 -3.606 8.009 1.00 0.00 H new ATOM 0 HA SER A 9 -15.635 -1.603 8.077 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.685 -2.287 10.741 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.794 -0.778 10.789 1.00 0.00 H new ATOM 0 HG SER A 9 -17.087 -0.449 10.937 1.00 0.00 H new ATOM 93 N GLY A 10 -14.126 0.489 8.135 1.00 0.00 N ATOM 94 CA GLY A 10 -13.160 1.523 7.805 1.00 0.00 C ATOM 95 C GLY A 10 -12.905 2.438 9.005 1.00 0.00 C ATOM 96 O GLY A 10 -13.704 3.327 9.293 1.00 0.00 O ATOM 0 H GLY A 10 -15.102 0.770 8.036 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.224 1.063 7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.526 2.113 6.965 1.00 0.00 H new ATOM 100 N ARG A 11 -11.787 2.188 9.672 1.00 0.00 N ATOM 101 CA ARG A 11 -11.417 2.977 10.834 1.00 0.00 C ATOM 102 C ARG A 11 -10.308 3.967 10.471 1.00 0.00 C ATOM 103 O ARG A 11 -9.627 3.799 9.460 1.00 0.00 O ATOM 104 CB ARG A 11 -10.937 2.082 11.978 1.00 0.00 C ATOM 105 CG ARG A 11 -11.487 2.567 13.321 1.00 0.00 C ATOM 106 CD ARG A 11 -10.361 3.080 14.221 1.00 0.00 C ATOM 107 NE ARG A 11 -10.270 2.247 15.441 1.00 0.00 N ATOM 108 CZ ARG A 11 -9.277 2.334 16.337 1.00 0.00 C ATOM 109 NH1 ARG A 11 -8.285 3.216 16.155 1.00 0.00 N ATOM 110 NH2 ARG A 11 -9.276 1.538 17.415 1.00 0.00 N ATOM 0 H ARG A 11 -11.126 1.450 9.429 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.303 3.521 11.161 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.256 1.055 11.800 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.847 2.077 12.008 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.215 3.361 13.155 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.013 1.752 13.819 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.414 3.056 13.682 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.546 4.119 14.493 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.009 1.564 15.610 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.285 3.822 15.334 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.530 3.282 16.837 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.031 0.866 17.554 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.520 1.604 18.097 1.00 0.00 H new ATOM 124 N GLU A 12 -10.161 4.977 11.315 1.00 0.00 N ATOM 125 CA GLU A 12 -9.146 5.994 11.096 1.00 0.00 C ATOM 126 C GLU A 12 -7.797 5.525 11.645 1.00 0.00 C ATOM 127 O GLU A 12 -7.747 4.738 12.590 1.00 0.00 O ATOM 128 CB GLU A 12 -9.560 7.326 11.725 1.00 0.00 C ATOM 129 CG GLU A 12 -9.400 7.288 13.246 1.00 0.00 C ATOM 130 CD GLU A 12 -10.009 8.534 13.892 1.00 0.00 C ATOM 131 OE1 GLU A 12 -11.255 8.574 13.984 1.00 0.00 O ATOM 132 OE2 GLU A 12 -9.215 9.418 14.280 1.00 0.00 O ATOM 0 H GLU A 12 -10.728 5.113 12.152 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.044 6.152 10.022 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.953 8.131 11.312 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.597 7.546 11.470 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.882 6.395 13.644 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.343 7.221 13.503 1.00 0.00 H new ATOM 139 N PRO A 13 -6.709 6.040 11.014 1.00 0.00 N ATOM 140 CA PRO A 13 -5.363 5.682 11.429 1.00 0.00 C ATOM 141 C PRO A 13 -4.985 6.390 12.732 1.00 0.00 C ATOM 142 O PRO A 13 -4.526 7.531 12.712 1.00 0.00 O ATOM 143 CB PRO A 13 -4.473 6.074 10.260 1.00 0.00 C ATOM 144 CG PRO A 13 -5.284 7.057 9.430 1.00 0.00 C ATOM 145 CD PRO A 13 -6.730 6.974 9.892 1.00 0.00 C ATOM 0 HA PRO A 13 -5.260 4.620 11.652 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.547 6.529 10.610 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.196 5.200 9.670 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.901 8.070 9.555 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.207 6.816 8.370 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.105 7.951 10.197 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.381 6.618 9.093 1.00 0.00 H new ATOM 153 N SER A 14 -5.191 5.682 13.833 1.00 0.00 N ATOM 154 CA SER A 14 -4.878 6.228 15.143 1.00 0.00 C ATOM 155 C SER A 14 -3.407 5.972 15.478 1.00 0.00 C ATOM 156 O SER A 14 -2.732 6.840 16.029 1.00 0.00 O ATOM 157 CB SER A 14 -5.781 5.626 16.221 1.00 0.00 C ATOM 158 OG SER A 14 -6.435 6.631 16.992 1.00 0.00 O ATOM 0 H SER A 14 -5.571 4.735 13.845 1.00 0.00 H new ATOM 0 HA SER A 14 -5.057 7.303 15.117 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.528 4.985 15.752 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.187 4.993 16.880 1.00 0.00 H new ATOM 0 HG SER A 14 -7.003 6.206 17.668 1.00 0.00 H new ATOM 164 N SER A 15 -2.954 4.776 15.132 1.00 0.00 N ATOM 165 CA SER A 15 -1.576 4.394 15.390 1.00 0.00 C ATOM 166 C SER A 15 -0.626 5.451 14.823 1.00 0.00 C ATOM 167 O SER A 15 -1.005 6.224 13.945 1.00 0.00 O ATOM 168 CB SER A 15 -1.263 3.022 14.789 1.00 0.00 C ATOM 169 OG SER A 15 -2.392 2.153 14.825 1.00 0.00 O ATOM 0 H SER A 15 -3.517 4.059 14.675 1.00 0.00 H new ATOM 0 HA SER A 15 -1.435 4.329 16.469 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.933 3.145 13.757 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.437 2.567 15.336 1.00 0.00 H new ATOM 0 HG SER A 15 -2.152 1.288 14.431 1.00 0.00 H new ATOM 175 N ARG A 16 0.590 5.450 15.349 1.00 0.00 N ATOM 176 CA ARG A 16 1.598 6.399 14.906 1.00 0.00 C ATOM 177 C ARG A 16 1.847 6.246 13.405 1.00 0.00 C ATOM 178 O ARG A 16 2.002 5.132 12.908 1.00 0.00 O ATOM 179 CB ARG A 16 2.914 6.195 15.659 1.00 0.00 C ATOM 180 CG ARG A 16 3.730 7.489 15.697 1.00 0.00 C ATOM 181 CD ARG A 16 5.109 7.287 15.068 1.00 0.00 C ATOM 182 NE ARG A 16 5.482 8.477 14.271 1.00 0.00 N ATOM 183 CZ ARG A 16 5.886 9.639 14.801 1.00 0.00 C ATOM 184 NH1 ARG A 16 5.971 9.776 16.131 1.00 0.00 N ATOM 185 NH2 ARG A 16 6.204 10.666 14.000 1.00 0.00 N ATOM 0 H ARG A 16 0.900 4.807 16.078 1.00 0.00 H new ATOM 0 HA ARG A 16 1.225 7.402 15.115 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.707 5.861 16.676 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.495 5.409 15.177 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.195 8.276 15.165 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.842 7.822 16.729 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.851 7.114 15.847 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.102 6.401 14.433 1.00 0.00 H new ATOM 0 HE ARG A 16 5.428 8.408 13.255 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.728 8.995 16.741 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.279 10.661 16.534 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.138 10.562 12.987 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.512 11.551 14.403 1.00 0.00 H new ATOM 199 N ILE A 17 1.879 7.383 12.724 1.00 0.00 N ATOM 200 CA ILE A 17 2.108 7.389 11.289 1.00 0.00 C ATOM 201 C ILE A 17 3.612 7.464 11.017 1.00 0.00 C ATOM 202 O ILE A 17 4.386 7.851 11.891 1.00 0.00 O ATOM 203 CB ILE A 17 1.306 8.510 10.624 1.00 0.00 C ATOM 204 CG1 ILE A 17 -0.112 8.582 11.194 1.00 0.00 C ATOM 205 CG2 ILE A 17 1.304 8.354 9.102 1.00 0.00 C ATOM 206 CD1 ILE A 17 -0.968 7.421 10.684 1.00 0.00 C ATOM 0 H ILE A 17 1.750 8.306 13.139 1.00 0.00 H new ATOM 0 HA ILE A 17 1.749 6.462 10.842 1.00 0.00 H new ATOM 0 HB ILE A 17 1.793 9.459 10.850 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.072 8.558 12.283 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.573 9.529 10.913 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.727 9.163 8.654 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.328 8.390 8.731 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.855 7.397 8.835 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.971 7.496 11.104 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.026 7.462 9.596 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.517 6.476 10.987 1.00 0.00 H new ATOM 218 N ILE A 18 3.980 7.088 9.801 1.00 0.00 N ATOM 219 CA ILE A 18 5.377 7.108 9.403 1.00 0.00 C ATOM 220 C ILE A 18 5.488 7.647 7.975 1.00 0.00 C ATOM 221 O ILE A 18 4.483 8.003 7.362 1.00 0.00 O ATOM 222 CB ILE A 18 6.007 5.727 9.590 1.00 0.00 C ATOM 223 CG1 ILE A 18 5.136 4.637 8.961 1.00 0.00 C ATOM 224 CG2 ILE A 18 6.294 5.450 11.067 1.00 0.00 C ATOM 225 CD1 ILE A 18 5.922 3.335 8.794 1.00 0.00 C ATOM 0 H ILE A 18 3.335 6.768 9.079 1.00 0.00 H new ATOM 0 HA ILE A 18 5.946 7.782 10.044 1.00 0.00 H new ATOM 0 HB ILE A 18 6.964 5.715 9.069 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.261 4.460 9.586 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.771 4.973 7.990 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.742 4.462 11.172 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.982 6.203 11.451 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.363 5.488 11.632 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.280 2.577 8.345 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.783 3.510 8.149 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.264 2.989 9.769 1.00 0.00 H new ATOM 237 N ARG A 19 6.719 7.689 7.487 1.00 0.00 N ATOM 238 CA ARG A 19 6.975 8.178 6.142 1.00 0.00 C ATOM 239 C ARG A 19 7.586 7.070 5.282 1.00 0.00 C ATOM 240 O ARG A 19 8.772 6.770 5.401 1.00 0.00 O ATOM 241 CB ARG A 19 7.923 9.379 6.164 1.00 0.00 C ATOM 242 CG ARG A 19 8.279 9.822 4.744 1.00 0.00 C ATOM 243 CD ARG A 19 9.108 11.108 4.762 1.00 0.00 C ATOM 244 NE ARG A 19 10.503 10.806 5.153 1.00 0.00 N ATOM 245 CZ ARG A 19 11.453 10.406 4.296 1.00 0.00 C ATOM 246 NH1 ARG A 19 11.163 10.257 2.996 1.00 0.00 N ATOM 247 NH2 ARG A 19 12.692 10.154 4.740 1.00 0.00 N ATOM 0 H ARG A 19 7.550 7.393 7.998 1.00 0.00 H new ATOM 0 HA ARG A 19 6.022 8.490 5.715 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.457 10.205 6.700 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.832 9.119 6.707 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.838 9.032 4.242 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.367 9.981 4.169 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.091 11.575 3.777 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.672 11.822 5.461 1.00 0.00 H new ATOM 0 HE ARG A 19 10.757 10.909 6.135 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.219 10.448 2.659 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.886 9.953 2.344 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.912 10.267 5.730 1.00 0.00 H new ATOM 0 HH22 ARG A 19 13.415 9.850 4.088 1.00 0.00 H new ATOM 261 N VAL A 20 6.747 6.493 4.434 1.00 0.00 N ATOM 262 CA VAL A 20 7.190 5.425 3.553 1.00 0.00 C ATOM 263 C VAL A 20 7.267 5.952 2.119 1.00 0.00 C ATOM 264 O VAL A 20 6.290 6.485 1.596 1.00 0.00 O ATOM 265 CB VAL A 20 6.267 4.213 3.696 1.00 0.00 C ATOM 266 CG1 VAL A 20 6.754 3.049 2.831 1.00 0.00 C ATOM 267 CG2 VAL A 20 6.138 3.792 5.161 1.00 0.00 C ATOM 0 H VAL A 20 5.763 6.745 4.338 1.00 0.00 H new ATOM 0 HA VAL A 20 8.190 5.090 3.830 1.00 0.00 H new ATOM 0 HB VAL A 20 5.277 4.502 3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.081 2.200 2.951 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.770 3.355 1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.759 2.761 3.140 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.477 2.929 5.235 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.121 3.530 5.552 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.724 4.617 5.741 1.00 0.00 H new ATOM 277 N SER A 21 8.439 5.785 1.524 1.00 0.00 N ATOM 278 CA SER A 21 8.657 6.237 0.160 1.00 0.00 C ATOM 279 C SER A 21 8.124 5.197 -0.827 1.00 0.00 C ATOM 280 O SER A 21 8.695 4.116 -0.965 1.00 0.00 O ATOM 281 CB SER A 21 10.141 6.505 -0.101 1.00 0.00 C ATOM 282 OG SER A 21 10.568 7.741 0.465 1.00 0.00 O ATOM 0 H SER A 21 9.248 5.343 1.961 1.00 0.00 H new ATOM 0 HA SER A 21 8.116 7.173 0.019 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.735 5.691 0.315 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.324 6.516 -1.175 1.00 0.00 H new ATOM 0 HG SER A 21 11.521 7.875 0.278 1.00 0.00 H new ATOM 288 N VAL A 22 7.035 5.559 -1.489 1.00 0.00 N ATOM 289 CA VAL A 22 6.418 4.671 -2.460 1.00 0.00 C ATOM 290 C VAL A 22 7.081 4.874 -3.824 1.00 0.00 C ATOM 291 O VAL A 22 7.058 5.975 -4.371 1.00 0.00 O ATOM 292 CB VAL A 22 4.906 4.899 -2.490 1.00 0.00 C ATOM 293 CG1 VAL A 22 4.272 4.212 -3.702 1.00 0.00 C ATOM 294 CG2 VAL A 22 4.254 4.426 -1.189 1.00 0.00 C ATOM 0 H VAL A 22 6.564 6.456 -1.372 1.00 0.00 H new ATOM 0 HA VAL A 22 6.571 3.630 -2.177 1.00 0.00 H new ATOM 0 HB VAL A 22 4.731 5.971 -2.582 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.197 4.390 -3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.705 4.617 -4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.463 3.140 -3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.179 4.600 -1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.444 3.361 -1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.674 4.980 -0.349 1.00 0.00 H new ATOM 304 N LYS A 23 7.656 3.795 -4.333 1.00 0.00 N ATOM 305 CA LYS A 23 8.324 3.840 -5.622 1.00 0.00 C ATOM 306 C LYS A 23 7.419 3.211 -6.683 1.00 0.00 C ATOM 307 O LYS A 23 7.094 2.027 -6.603 1.00 0.00 O ATOM 308 CB LYS A 23 9.708 3.194 -5.532 1.00 0.00 C ATOM 309 CG LYS A 23 10.731 3.970 -6.364 1.00 0.00 C ATOM 310 CD LYS A 23 11.149 5.260 -5.656 1.00 0.00 C ATOM 311 CE LYS A 23 12.267 4.995 -4.647 1.00 0.00 C ATOM 312 NZ LYS A 23 12.536 6.206 -3.840 1.00 0.00 N ATOM 0 H LYS A 23 7.673 2.883 -3.876 1.00 0.00 H new ATOM 0 HA LYS A 23 8.499 4.873 -5.924 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.031 3.161 -4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.656 2.163 -5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.608 3.348 -6.541 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.307 4.208 -7.339 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.485 5.991 -6.392 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.289 5.694 -5.146 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.986 4.170 -3.993 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.173 4.692 -5.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.298 6.008 -3.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.825 6.984 -4.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.675 6.478 -3.325 1.00 0.00 H new ATOM 326 N THR A 24 7.039 4.030 -7.653 1.00 0.00 N ATOM 327 CA THR A 24 6.178 3.568 -8.728 1.00 0.00 C ATOM 328 C THR A 24 6.956 3.506 -10.045 1.00 0.00 C ATOM 329 O THR A 24 7.976 4.175 -10.199 1.00 0.00 O ATOM 330 CB THR A 24 4.958 4.489 -8.786 1.00 0.00 C ATOM 331 OG1 THR A 24 5.436 5.656 -9.450 1.00 0.00 O ATOM 332 CG2 THR A 24 4.538 4.992 -7.404 1.00 0.00 C ATOM 0 H THR A 24 7.312 5.011 -7.717 1.00 0.00 H new ATOM 0 HA THR A 24 5.828 2.552 -8.545 1.00 0.00 H new ATOM 0 HB THR A 24 4.125 3.959 -9.248 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.143 6.072 -8.913 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.668 5.641 -7.502 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.287 4.143 -6.768 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.359 5.551 -6.955 1.00 0.00 H new ATOM 340 N PRO A 25 6.430 2.676 -10.984 1.00 0.00 N ATOM 341 CA PRO A 25 7.064 2.518 -12.282 1.00 0.00 C ATOM 342 C PRO A 25 6.809 3.738 -13.169 1.00 0.00 C ATOM 343 O PRO A 25 6.167 3.629 -14.212 1.00 0.00 O ATOM 344 CB PRO A 25 6.478 1.236 -12.853 1.00 0.00 C ATOM 345 CG PRO A 25 5.204 0.974 -12.066 1.00 0.00 C ATOM 346 CD PRO A 25 5.223 1.868 -10.836 1.00 0.00 C ATOM 0 HA PRO A 25 8.150 2.448 -12.214 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.265 1.344 -13.917 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.178 0.407 -12.750 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.327 1.185 -12.678 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.144 -0.075 -11.775 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.331 2.493 -10.787 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.250 1.279 -9.919 1.00 0.00 H new ATOM 354 N GLN A 26 7.325 4.873 -12.721 1.00 0.00 N ATOM 355 CA GLN A 26 7.162 6.113 -13.461 1.00 0.00 C ATOM 356 C GLN A 26 7.719 7.289 -12.656 1.00 0.00 C ATOM 357 O GLN A 26 8.553 8.045 -13.150 1.00 0.00 O ATOM 358 CB GLN A 26 5.694 6.344 -13.826 1.00 0.00 C ATOM 359 CG GLN A 26 5.499 6.337 -15.343 1.00 0.00 C ATOM 360 CD GLN A 26 4.203 7.052 -15.732 1.00 0.00 C ATOM 361 OE1 GLN A 26 4.121 8.269 -15.766 1.00 0.00 O ATOM 362 NE2 GLN A 26 3.198 6.230 -16.024 1.00 0.00 N ATOM 0 H GLN A 26 7.856 4.960 -11.855 1.00 0.00 H new ATOM 0 HA GLN A 26 7.726 6.036 -14.391 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.076 5.569 -13.373 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.360 7.297 -13.417 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.346 6.825 -15.825 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.475 5.309 -15.706 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.334 5.220 -15.976 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.291 6.610 -16.296 1.00 0.00 H new ATOM 371 N ASP A 27 7.234 7.406 -11.428 1.00 0.00 N ATOM 372 CA ASP A 27 7.673 8.477 -10.549 1.00 0.00 C ATOM 373 C ASP A 27 7.760 7.951 -9.115 1.00 0.00 C ATOM 374 O ASP A 27 7.461 6.786 -8.858 1.00 0.00 O ATOM 375 CB ASP A 27 6.683 9.644 -10.566 1.00 0.00 C ATOM 376 CG ASP A 27 7.319 11.033 -10.486 1.00 0.00 C ATOM 377 OD1 ASP A 27 8.417 11.188 -11.064 1.00 0.00 O ATOM 378 OD2 ASP A 27 6.693 11.908 -9.849 1.00 0.00 O ATOM 0 H ASP A 27 6.542 6.777 -11.021 1.00 0.00 H new ATOM 0 HA ASP A 27 8.645 8.824 -10.899 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.090 9.584 -11.479 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.993 9.528 -9.730 1.00 0.00 H new ATOM 383 N CYS A 28 8.171 8.836 -8.218 1.00 0.00 N ATOM 384 CA CYS A 28 8.301 8.475 -6.817 1.00 0.00 C ATOM 385 C CYS A 28 7.343 9.350 -6.005 1.00 0.00 C ATOM 386 O CYS A 28 7.177 10.533 -6.298 1.00 0.00 O ATOM 387 CB CYS A 28 9.745 8.607 -6.330 1.00 0.00 C ATOM 388 SG CYS A 28 10.163 10.371 -6.080 1.00 0.00 S ATOM 0 H CYS A 28 8.418 9.802 -8.435 1.00 0.00 H new ATOM 0 HA CYS A 28 8.036 7.426 -6.683 1.00 0.00 H new ATOM 0 HB2 CYS A 28 9.874 8.058 -5.397 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.425 8.163 -7.057 1.00 0.00 H new ATOM 0 HG CYS A 28 9.077 11.085 -6.124 1.00 0.00 H new ATOM 394 N HIS A 29 6.737 8.733 -5.001 1.00 0.00 N ATOM 395 CA HIS A 29 5.801 9.441 -4.144 1.00 0.00 C ATOM 396 C HIS A 29 6.027 9.032 -2.688 1.00 0.00 C ATOM 397 O HIS A 29 6.710 8.046 -2.415 1.00 0.00 O ATOM 398 CB HIS A 29 4.361 9.211 -4.608 1.00 0.00 C ATOM 399 CG HIS A 29 3.553 10.479 -4.754 1.00 0.00 C ATOM 400 ND1 HIS A 29 2.196 10.538 -4.487 1.00 0.00 N ATOM 401 CD2 HIS A 29 3.924 11.733 -5.141 1.00 0.00 C ATOM 402 CE1 HIS A 29 1.780 11.777 -4.707 1.00 0.00 C ATOM 403 NE2 HIS A 29 2.853 12.515 -5.114 1.00 0.00 N ATOM 0 H HIS A 29 6.876 7.751 -4.762 1.00 0.00 H new ATOM 0 HA HIS A 29 5.978 10.514 -4.214 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.377 8.690 -5.566 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.861 8.554 -3.896 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.921 12.038 -5.422 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.770 12.139 -4.586 1.00 0.00 H new ATOM 0 HE2 HIS A 29 2.835 13.505 -5.357 1.00 0.00 H new ATOM 411 N GLU A 30 5.440 9.810 -1.790 1.00 0.00 N ATOM 412 CA GLU A 30 5.570 9.541 -0.368 1.00 0.00 C ATOM 413 C GLU A 30 4.188 9.398 0.273 1.00 0.00 C ATOM 414 O GLU A 30 3.290 10.195 0.004 1.00 0.00 O ATOM 415 CB GLU A 30 6.385 10.635 0.325 1.00 0.00 C ATOM 416 CG GLU A 30 5.685 11.991 0.220 1.00 0.00 C ATOM 417 CD GLU A 30 6.615 13.043 -0.387 1.00 0.00 C ATOM 418 OE1 GLU A 30 7.420 13.603 0.388 1.00 0.00 O ATOM 419 OE2 GLU A 30 6.500 13.263 -1.612 1.00 0.00 O ATOM 0 H GLU A 30 4.873 10.626 -2.020 1.00 0.00 H new ATOM 0 HA GLU A 30 6.106 8.600 -0.243 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.529 10.377 1.374 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.375 10.697 -0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.789 11.895 -0.393 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.361 12.314 1.209 1.00 0.00 H new ATOM 426 N PHE A 31 4.060 8.378 1.108 1.00 0.00 N ATOM 427 CA PHE A 31 2.803 8.120 1.790 1.00 0.00 C ATOM 428 C PHE A 31 3.002 8.067 3.306 1.00 0.00 C ATOM 429 O PHE A 31 4.012 7.555 3.785 1.00 0.00 O ATOM 430 CB PHE A 31 2.302 6.759 1.305 1.00 0.00 C ATOM 431 CG PHE A 31 1.621 6.798 -0.065 1.00 0.00 C ATOM 432 CD1 PHE A 31 2.326 7.175 -1.165 1.00 0.00 C ATOM 433 CD2 PHE A 31 0.310 6.455 -0.182 1.00 0.00 C ATOM 434 CE1 PHE A 31 1.694 7.211 -2.436 1.00 0.00 C ATOM 435 CE2 PHE A 31 -0.323 6.492 -1.453 1.00 0.00 C ATOM 436 CZ PHE A 31 0.383 6.869 -2.553 1.00 0.00 C ATOM 0 H PHE A 31 4.807 7.719 1.328 1.00 0.00 H new ATOM 0 HA PHE A 31 2.091 8.916 1.572 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.144 6.068 1.261 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.600 6.360 2.037 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.367 7.447 -1.072 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.250 6.155 0.691 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.254 7.510 -3.310 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.364 6.221 -1.546 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.098 6.897 -3.520 1.00 0.00 H new ATOM 446 N PHE A 32 2.022 8.604 4.018 1.00 0.00 N ATOM 447 CA PHE A 32 2.077 8.624 5.470 1.00 0.00 C ATOM 448 C PHE A 32 0.848 7.942 6.074 1.00 0.00 C ATOM 449 O PHE A 32 -0.227 8.537 6.141 1.00 0.00 O ATOM 450 CB PHE A 32 2.092 10.093 5.897 1.00 0.00 C ATOM 451 CG PHE A 32 3.431 10.795 5.665 1.00 0.00 C ATOM 452 CD1 PHE A 32 3.755 11.249 4.424 1.00 0.00 C ATOM 453 CD2 PHE A 32 4.298 10.965 6.698 1.00 0.00 C ATOM 454 CE1 PHE A 32 4.998 11.901 4.209 1.00 0.00 C ATOM 455 CE2 PHE A 32 5.541 11.616 6.483 1.00 0.00 C ATOM 456 CZ PHE A 32 5.865 12.070 5.243 1.00 0.00 C ATOM 0 H PHE A 32 1.186 9.028 3.617 1.00 0.00 H new ATOM 0 HA PHE A 32 2.962 8.091 5.816 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.314 10.627 5.351 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.839 10.156 6.955 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.067 11.114 3.603 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.041 10.605 7.683 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.255 12.263 3.224 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.229 11.751 7.304 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.811 12.565 5.079 1.00 0.00 H new ATOM 466 N LEU A 33 1.047 6.703 6.499 1.00 0.00 N ATOM 467 CA LEU A 33 -0.032 5.934 7.096 1.00 0.00 C ATOM 468 C LEU A 33 0.492 5.204 8.334 1.00 0.00 C ATOM 469 O LEU A 33 1.702 5.104 8.535 1.00 0.00 O ATOM 470 CB LEU A 33 -0.667 5.007 6.058 1.00 0.00 C ATOM 471 CG LEU A 33 0.215 3.864 5.551 1.00 0.00 C ATOM 472 CD1 LEU A 33 1.563 4.390 5.055 1.00 0.00 C ATOM 473 CD2 LEU A 33 0.380 2.783 6.621 1.00 0.00 C ATOM 0 H LEU A 33 1.939 6.212 6.442 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.831 6.595 7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.572 4.578 6.488 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.975 5.609 5.203 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.283 3.401 4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.170 3.557 4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.401 5.094 4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.080 4.894 5.872 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.011 1.982 6.235 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.844 3.216 7.507 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.598 2.379 6.884 1.00 0.00 H new ATOM 485 N ALA A 34 -0.444 4.712 9.132 1.00 0.00 N ATOM 486 CA ALA A 34 -0.091 3.993 10.345 1.00 0.00 C ATOM 487 C ALA A 34 0.998 2.967 10.026 1.00 0.00 C ATOM 488 O ALA A 34 0.876 2.203 9.070 1.00 0.00 O ATOM 489 CB ALA A 34 -1.345 3.348 10.939 1.00 0.00 C ATOM 0 H ALA A 34 -1.446 4.797 8.963 1.00 0.00 H new ATOM 0 HA ALA A 34 0.310 4.676 11.094 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.081 2.809 11.849 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.075 4.122 11.175 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.774 2.653 10.217 1.00 0.00 H new ATOM 495 N GLU A 35 2.039 2.983 10.846 1.00 0.00 N ATOM 496 CA GLU A 35 3.149 2.063 10.663 1.00 0.00 C ATOM 497 C GLU A 35 2.701 0.628 10.947 1.00 0.00 C ATOM 498 O GLU A 35 3.328 -0.324 10.484 1.00 0.00 O ATOM 499 CB GLU A 35 4.335 2.453 11.548 1.00 0.00 C ATOM 500 CG GLU A 35 3.905 2.592 13.010 1.00 0.00 C ATOM 501 CD GLU A 35 5.000 2.089 13.954 1.00 0.00 C ATOM 502 OE1 GLU A 35 6.183 2.326 13.628 1.00 0.00 O ATOM 503 OE2 GLU A 35 4.628 1.478 14.979 1.00 0.00 O ATOM 0 H GLU A 35 2.137 3.618 11.638 1.00 0.00 H new ATOM 0 HA GLU A 35 3.477 2.121 9.625 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.118 1.700 11.466 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.760 3.394 11.199 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.682 3.636 13.230 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.988 2.028 13.178 1.00 0.00 H new ATOM 510 N ASN A 36 1.621 0.518 11.706 1.00 0.00 N ATOM 511 CA ASN A 36 1.082 -0.785 12.056 1.00 0.00 C ATOM 512 C ASN A 36 -0.162 -1.062 11.210 1.00 0.00 C ATOM 513 O ASN A 36 -1.031 -1.835 11.611 1.00 0.00 O ATOM 514 CB ASN A 36 0.672 -0.833 13.529 1.00 0.00 C ATOM 515 CG ASN A 36 1.591 0.042 14.384 1.00 0.00 C ATOM 516 OD1 ASN A 36 2.795 0.094 14.193 1.00 0.00 O ATOM 517 ND2 ASN A 36 0.959 0.725 15.334 1.00 0.00 N ATOM 0 H ASN A 36 1.104 1.310 12.088 1.00 0.00 H new ATOM 0 HA ASN A 36 1.856 -1.530 11.872 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.359 -0.495 13.634 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.708 -1.862 13.887 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.485 1.338 15.957 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.052 0.636 15.440 1.00 0.00 H new ATOM 524 N SER A 37 -0.208 -0.417 10.054 1.00 0.00 N ATOM 525 CA SER A 37 -1.331 -0.584 9.147 1.00 0.00 C ATOM 526 C SER A 37 -1.071 -1.760 8.203 1.00 0.00 C ATOM 527 O SER A 37 -0.186 -1.693 7.351 1.00 0.00 O ATOM 528 CB SER A 37 -1.586 0.694 8.345 1.00 0.00 C ATOM 529 OG SER A 37 -2.210 1.703 9.134 1.00 0.00 O ATOM 0 H SER A 37 0.515 0.223 9.724 1.00 0.00 H new ATOM 0 HA SER A 37 -2.221 -0.792 9.740 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.641 1.072 7.954 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.216 0.464 7.486 1.00 0.00 H new ATOM 0 HG SER A 37 -2.439 1.336 10.013 1.00 0.00 H new ATOM 535 N ASN A 38 -1.858 -2.810 8.387 1.00 0.00 N ATOM 536 CA ASN A 38 -1.723 -3.999 7.563 1.00 0.00 C ATOM 537 C ASN A 38 -1.389 -3.585 6.128 1.00 0.00 C ATOM 538 O ASN A 38 -1.827 -2.533 5.664 1.00 0.00 O ATOM 539 CB ASN A 38 -3.028 -4.798 7.532 1.00 0.00 C ATOM 540 CG ASN A 38 -4.240 -3.867 7.478 1.00 0.00 C ATOM 541 OD1 ASN A 38 -4.462 -3.043 8.350 1.00 0.00 O ATOM 542 ND2 ASN A 38 -5.010 -4.043 6.408 1.00 0.00 N ATOM 0 H ASN A 38 -2.591 -2.862 9.094 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.931 -4.616 7.988 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.034 -5.459 6.665 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.091 -5.432 8.416 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.844 -3.470 6.280 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.767 -4.751 5.715 1.00 0.00 H new ATOM 549 N VAL A 39 -0.617 -4.433 5.466 1.00 0.00 N ATOM 550 CA VAL A 39 -0.219 -4.168 4.094 1.00 0.00 C ATOM 551 C VAL A 39 -1.443 -3.728 3.288 1.00 0.00 C ATOM 552 O VAL A 39 -1.375 -2.766 2.524 1.00 0.00 O ATOM 553 CB VAL A 39 0.474 -5.398 3.503 1.00 0.00 C ATOM 554 CG1 VAL A 39 0.491 -5.337 1.975 1.00 0.00 C ATOM 555 CG2 VAL A 39 1.891 -5.549 4.062 1.00 0.00 C ATOM 0 H VAL A 39 -0.256 -5.305 5.854 1.00 0.00 H new ATOM 0 HA VAL A 39 0.505 -3.354 4.057 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.098 -6.278 3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.989 -6.223 1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.532 -5.299 1.601 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.028 -4.445 1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.362 -6.430 3.626 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.477 -4.664 3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.845 -5.660 5.145 1.00 0.00 H new ATOM 565 N ARG A 40 -2.534 -4.453 3.487 1.00 0.00 N ATOM 566 CA ARG A 40 -3.772 -4.149 2.788 1.00 0.00 C ATOM 567 C ARG A 40 -4.062 -2.648 2.852 1.00 0.00 C ATOM 568 O ARG A 40 -4.079 -1.971 1.824 1.00 0.00 O ATOM 569 CB ARG A 40 -4.949 -4.915 3.395 1.00 0.00 C ATOM 570 CG ARG A 40 -5.829 -5.524 2.301 1.00 0.00 C ATOM 571 CD ARG A 40 -7.277 -5.660 2.776 1.00 0.00 C ATOM 572 NE ARG A 40 -7.909 -6.837 2.139 1.00 0.00 N ATOM 573 CZ ARG A 40 -9.105 -7.329 2.490 1.00 0.00 C ATOM 574 NH1 ARG A 40 -9.805 -6.750 3.475 1.00 0.00 N ATOM 575 NH2 ARG A 40 -9.601 -8.402 1.857 1.00 0.00 N ATOM 0 H ARG A 40 -2.587 -5.250 4.122 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.651 -4.455 1.749 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.576 -5.704 4.048 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.544 -4.244 4.014 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.792 -4.898 1.409 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.441 -6.503 2.020 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.305 -5.764 3.861 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.836 -4.758 2.528 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.403 -7.303 1.386 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.428 -5.935 3.958 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.715 -7.125 3.742 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.068 -8.844 1.108 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.511 -8.776 2.124 1.00 0.00 H new ATOM 589 N ARG A 41 -4.284 -2.171 4.068 1.00 0.00 N ATOM 590 CA ARG A 41 -4.573 -0.763 4.279 1.00 0.00 C ATOM 591 C ARG A 41 -3.624 0.103 3.447 1.00 0.00 C ATOM 592 O ARG A 41 -4.069 0.939 2.661 1.00 0.00 O ATOM 593 CB ARG A 41 -4.434 -0.387 5.755 1.00 0.00 C ATOM 594 CG ARG A 41 -5.703 -0.741 6.533 1.00 0.00 C ATOM 595 CD ARG A 41 -6.020 0.328 7.580 1.00 0.00 C ATOM 596 NE ARG A 41 -7.167 -0.102 8.411 1.00 0.00 N ATOM 597 CZ ARG A 41 -7.819 0.699 9.265 1.00 0.00 C ATOM 598 NH1 ARG A 41 -7.440 1.977 9.406 1.00 0.00 N ATOM 599 NH2 ARG A 41 -8.849 0.223 9.978 1.00 0.00 N ATOM 0 H ARG A 41 -4.269 -2.735 4.918 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.602 -0.585 3.967 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.580 -0.909 6.188 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.234 0.681 5.845 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.541 -0.839 5.843 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.577 -1.707 7.021 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.148 0.501 8.211 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.250 1.273 7.088 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.481 -1.069 8.328 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.656 2.339 8.863 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.936 2.587 10.056 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.137 -0.750 9.871 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.345 0.833 10.628 1.00 0.00 H new ATOM 613 N PHE A 42 -2.335 -0.125 3.649 1.00 0.00 N ATOM 614 CA PHE A 42 -1.320 0.624 2.928 1.00 0.00 C ATOM 615 C PHE A 42 -1.609 0.633 1.426 1.00 0.00 C ATOM 616 O PHE A 42 -1.369 1.632 0.750 1.00 0.00 O ATOM 617 CB PHE A 42 0.015 -0.080 3.175 1.00 0.00 C ATOM 618 CG PHE A 42 1.232 0.699 2.672 1.00 0.00 C ATOM 619 CD1 PHE A 42 1.090 1.985 2.252 1.00 0.00 C ATOM 620 CD2 PHE A 42 2.456 0.107 2.647 1.00 0.00 C ATOM 621 CE1 PHE A 42 2.219 2.709 1.786 1.00 0.00 C ATOM 622 CE2 PHE A 42 3.586 0.831 2.180 1.00 0.00 C ATOM 623 CZ PHE A 42 3.443 2.116 1.760 1.00 0.00 C ATOM 0 H PHE A 42 -1.970 -0.818 4.302 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.304 1.658 3.274 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.127 -0.259 4.244 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.005 -1.056 2.689 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.118 2.456 2.273 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.569 -0.913 2.982 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.106 3.730 1.452 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.558 0.361 2.159 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.302 2.667 1.405 1.00 0.00 H new ATOM 633 N LYS A 43 -2.120 -0.492 0.947 1.00 0.00 N ATOM 634 CA LYS A 43 -2.444 -0.626 -0.463 1.00 0.00 C ATOM 635 C LYS A 43 -3.664 0.239 -0.786 1.00 0.00 C ATOM 636 O LYS A 43 -3.690 0.927 -1.805 1.00 0.00 O ATOM 637 CB LYS A 43 -2.620 -2.100 -0.834 1.00 0.00 C ATOM 638 CG LYS A 43 -1.329 -2.884 -0.591 1.00 0.00 C ATOM 639 CD LYS A 43 -1.622 -4.369 -0.372 1.00 0.00 C ATOM 640 CE LYS A 43 -0.778 -5.238 -1.307 1.00 0.00 C ATOM 641 NZ LYS A 43 -1.630 -6.224 -2.009 1.00 0.00 N ATOM 0 H LYS A 43 -2.318 -1.319 1.510 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.622 -0.262 -1.079 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.429 -2.533 -0.245 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.908 -2.183 -1.882 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.660 -2.764 -1.443 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.812 -2.480 0.279 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.414 -4.635 0.664 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.680 -4.564 -0.545 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.266 -4.608 -2.034 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.008 -5.756 -0.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.147 -7.145 -2.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.535 -6.321 -1.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.807 -5.900 -2.981 1.00 0.00 H new ATOM 655 N LYS A 44 -4.646 0.176 0.102 1.00 0.00 N ATOM 656 CA LYS A 44 -5.867 0.944 -0.076 1.00 0.00 C ATOM 657 C LYS A 44 -5.507 2.387 -0.438 1.00 0.00 C ATOM 658 O LYS A 44 -6.159 3.000 -1.281 1.00 0.00 O ATOM 659 CB LYS A 44 -6.760 0.825 1.160 1.00 0.00 C ATOM 660 CG LYS A 44 -7.841 -0.238 0.954 1.00 0.00 C ATOM 661 CD LYS A 44 -8.613 -0.494 2.250 1.00 0.00 C ATOM 662 CE LYS A 44 -9.419 -1.791 2.161 1.00 0.00 C ATOM 663 NZ LYS A 44 -9.947 -2.166 3.492 1.00 0.00 N ATOM 0 H LYS A 44 -4.621 -0.395 0.947 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.453 0.543 -0.903 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.153 0.568 2.028 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.226 1.787 1.370 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.530 0.086 0.174 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.383 -1.165 0.610 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.917 -0.551 3.087 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.283 0.342 2.449 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.243 -1.666 1.458 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.789 -2.592 1.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.492 -3.049 3.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.156 -2.305 4.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.565 -1.408 3.846 1.00 0.00 H new ATOM 677 N GLN A 45 -4.470 2.887 0.218 1.00 0.00 N ATOM 678 CA GLN A 45 -4.016 4.246 -0.023 1.00 0.00 C ATOM 679 C GLN A 45 -3.552 4.401 -1.473 1.00 0.00 C ATOM 680 O GLN A 45 -3.922 5.360 -2.148 1.00 0.00 O ATOM 681 CB GLN A 45 -2.904 4.634 0.953 1.00 0.00 C ATOM 682 CG GLN A 45 -3.324 5.823 1.819 1.00 0.00 C ATOM 683 CD GLN A 45 -2.205 6.863 1.903 1.00 0.00 C ATOM 684 OE1 GLN A 45 -2.218 7.883 1.234 1.00 0.00 O ATOM 685 NE2 GLN A 45 -1.238 6.548 2.761 1.00 0.00 N ATOM 0 H GLN A 45 -3.931 2.375 0.916 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.853 4.923 0.145 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.661 3.783 1.590 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.000 4.885 0.398 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.221 6.282 1.403 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.579 5.476 2.820 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.289 5.677 3.290 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.446 7.177 2.890 1.00 0.00 H new ATOM 694 N ILE A 46 -2.749 3.441 -1.909 1.00 0.00 N ATOM 695 CA ILE A 46 -2.231 3.459 -3.267 1.00 0.00 C ATOM 696 C ILE A 46 -3.394 3.347 -4.254 1.00 0.00 C ATOM 697 O ILE A 46 -3.547 4.189 -5.137 1.00 0.00 O ATOM 698 CB ILE A 46 -1.164 2.377 -3.447 1.00 0.00 C ATOM 699 CG1 ILE A 46 -0.030 2.550 -2.435 1.00 0.00 C ATOM 700 CG2 ILE A 46 -0.648 2.351 -4.887 1.00 0.00 C ATOM 701 CD1 ILE A 46 0.616 1.204 -2.101 1.00 0.00 C ATOM 0 H ILE A 46 -2.445 2.646 -1.347 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.730 4.405 -3.472 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.624 1.408 -3.252 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.722 3.228 -2.838 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.417 3.008 -1.525 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.109 1.573 -4.988 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.475 2.143 -5.566 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.210 3.318 -5.134 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.419 1.355 -1.380 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.133 0.536 -1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.023 0.760 -3.010 1.00 0.00 H new ATOM 713 N SER A 47 -4.185 2.300 -4.070 1.00 0.00 N ATOM 714 CA SER A 47 -5.330 2.067 -4.934 1.00 0.00 C ATOM 715 C SER A 47 -6.210 3.318 -4.986 1.00 0.00 C ATOM 716 O SER A 47 -6.873 3.573 -5.990 1.00 0.00 O ATOM 717 CB SER A 47 -6.146 0.864 -4.454 1.00 0.00 C ATOM 718 OG SER A 47 -6.006 0.649 -3.053 1.00 0.00 O ATOM 0 H SER A 47 -4.056 1.604 -3.336 1.00 0.00 H new ATOM 0 HA SER A 47 -4.963 1.847 -5.936 1.00 0.00 H new ATOM 0 HB2 SER A 47 -7.198 1.021 -4.693 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.826 -0.029 -4.992 1.00 0.00 H new ATOM 0 HG SER A 47 -5.075 0.422 -2.848 1.00 0.00 H new ATOM 724 N LYS A 48 -6.188 4.064 -3.891 1.00 0.00 N ATOM 725 CA LYS A 48 -6.975 5.281 -3.799 1.00 0.00 C ATOM 726 C LYS A 48 -6.405 6.326 -4.760 1.00 0.00 C ATOM 727 O LYS A 48 -7.059 6.705 -5.730 1.00 0.00 O ATOM 728 CB LYS A 48 -7.055 5.759 -2.348 1.00 0.00 C ATOM 729 CG LYS A 48 -7.981 4.862 -1.525 1.00 0.00 C ATOM 730 CD LYS A 48 -9.312 5.561 -1.241 1.00 0.00 C ATOM 731 CE LYS A 48 -10.490 4.611 -1.468 1.00 0.00 C ATOM 732 NZ LYS A 48 -11.126 4.257 -0.180 1.00 0.00 N ATOM 0 H LYS A 48 -5.637 3.849 -3.060 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.004 5.093 -4.106 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.058 5.761 -1.907 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.418 6.786 -2.319 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.163 3.931 -2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.497 4.599 -0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.325 5.923 -0.213 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.414 6.433 -1.887 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.222 5.081 -2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.145 3.707 -1.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.923 3.612 -0.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.429 3.790 0.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.473 5.120 0.285 1.00 0.00 H new ATOM 746 N TYR A 49 -5.190 6.761 -4.458 1.00 0.00 N ATOM 747 CA TYR A 49 -4.524 7.755 -5.283 1.00 0.00 C ATOM 748 C TYR A 49 -4.339 7.244 -6.713 1.00 0.00 C ATOM 749 O TYR A 49 -4.707 7.923 -7.671 1.00 0.00 O ATOM 750 CB TYR A 49 -3.149 7.975 -4.650 1.00 0.00 C ATOM 751 CG TYR A 49 -2.233 8.898 -5.456 1.00 0.00 C ATOM 752 CD1 TYR A 49 -2.705 10.114 -5.909 1.00 0.00 C ATOM 753 CD2 TYR A 49 -0.936 8.516 -5.731 1.00 0.00 C ATOM 754 CE1 TYR A 49 -1.844 10.983 -6.668 1.00 0.00 C ATOM 755 CE2 TYR A 49 -0.075 9.385 -6.490 1.00 0.00 C ATOM 756 CZ TYR A 49 -0.571 10.576 -6.921 1.00 0.00 C ATOM 757 OH TYR A 49 0.242 11.397 -7.637 1.00 0.00 O ATOM 0 H TYR A 49 -4.650 6.443 -3.653 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.113 8.671 -5.332 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.282 8.393 -3.652 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.658 7.010 -4.528 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.720 10.413 -5.694 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.567 7.565 -5.377 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.201 11.937 -7.028 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.942 9.098 -6.712 1.00 0.00 H new ATOM 0 HH TYR A 49 1.122 10.978 -7.740 1.00 0.00 H new ATOM 767 N LEU A 50 -3.769 6.053 -6.813 1.00 0.00 N ATOM 768 CA LEU A 50 -3.530 5.443 -8.110 1.00 0.00 C ATOM 769 C LEU A 50 -4.871 5.134 -8.778 1.00 0.00 C ATOM 770 O LEU A 50 -4.922 4.845 -9.973 1.00 0.00 O ATOM 771 CB LEU A 50 -2.617 4.224 -7.970 1.00 0.00 C ATOM 772 CG LEU A 50 -1.151 4.517 -7.647 1.00 0.00 C ATOM 773 CD1 LEU A 50 -1.013 5.178 -6.274 1.00 0.00 C ATOM 774 CD2 LEU A 50 -0.301 3.250 -7.761 1.00 0.00 C ATOM 0 H LEU A 50 -3.465 5.493 -6.016 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.999 6.135 -8.764 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.019 3.582 -7.187 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.657 3.656 -8.900 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.774 5.226 -8.384 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.039 5.375 -6.069 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.567 6.117 -6.265 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.413 4.513 -5.508 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.737 3.486 -7.526 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.670 2.500 -7.061 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.364 2.860 -8.777 1.00 0.00 H new ATOM 786 N HIS A 51 -5.925 5.206 -7.978 1.00 0.00 N ATOM 787 CA HIS A 51 -7.263 4.938 -8.477 1.00 0.00 C ATOM 788 C HIS A 51 -7.220 3.762 -9.454 1.00 0.00 C ATOM 789 O HIS A 51 -7.690 3.872 -10.586 1.00 0.00 O ATOM 790 CB HIS A 51 -7.877 6.197 -9.091 1.00 0.00 C ATOM 791 CG HIS A 51 -6.869 7.124 -9.727 1.00 0.00 C ATOM 792 ND1 HIS A 51 -6.597 8.388 -9.233 1.00 0.00 N ATOM 793 CD2 HIS A 51 -6.070 6.958 -10.820 1.00 0.00 C ATOM 794 CE1 HIS A 51 -5.675 8.949 -10.003 1.00 0.00 C ATOM 795 NE2 HIS A 51 -5.350 8.061 -10.986 1.00 0.00 N ATOM 0 H HIS A 51 -5.879 5.446 -6.988 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.913 4.654 -7.649 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.609 5.902 -9.843 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -8.417 6.741 -8.316 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.030 6.078 -11.445 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.255 9.936 -9.875 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.666 8.218 -11.727 1.00 0.00 H new ATOM 803 N CYS A 52 -6.651 2.662 -8.982 1.00 0.00 N ATOM 804 CA CYS A 52 -6.541 1.466 -9.801 1.00 0.00 C ATOM 805 C CYS A 52 -7.377 0.361 -9.152 1.00 0.00 C ATOM 806 O CYS A 52 -8.592 0.308 -9.337 1.00 0.00 O ATOM 807 CB CYS A 52 -5.083 1.043 -9.989 1.00 0.00 C ATOM 808 SG CYS A 52 -4.407 1.788 -11.518 1.00 0.00 S ATOM 0 H CYS A 52 -6.261 2.574 -8.043 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.924 1.670 -10.801 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.491 1.357 -9.129 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.015 -0.044 -10.043 1.00 0.00 H new ATOM 0 HG CYS A 52 -4.381 3.082 -11.395 1.00 0.00 H new ATOM 814 N ASN A 53 -6.693 -0.493 -8.406 1.00 0.00 N ATOM 815 CA ASN A 53 -7.358 -1.594 -7.729 1.00 0.00 C ATOM 816 C ASN A 53 -6.366 -2.283 -6.790 1.00 0.00 C ATOM 817 O ASN A 53 -5.276 -2.672 -7.208 1.00 0.00 O ATOM 818 CB ASN A 53 -7.860 -2.635 -8.732 1.00 0.00 C ATOM 819 CG ASN A 53 -9.371 -2.512 -8.939 1.00 0.00 C ATOM 820 OD1 ASN A 53 -9.853 -2.220 -10.020 1.00 0.00 O ATOM 821 ND2 ASN A 53 -10.088 -2.751 -7.844 1.00 0.00 N ATOM 0 H ASN A 53 -5.685 -0.445 -8.255 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.205 -1.188 -7.176 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.347 -2.504 -9.685 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.618 -3.636 -8.374 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.106 -2.694 -7.878 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.620 -2.991 -6.970 1.00 0.00 H new ATOM 828 N ALA A 54 -6.778 -2.413 -5.537 1.00 0.00 N ATOM 829 CA ALA A 54 -5.939 -3.048 -4.535 1.00 0.00 C ATOM 830 C ALA A 54 -5.741 -4.520 -4.901 1.00 0.00 C ATOM 831 O ALA A 54 -4.879 -5.193 -4.338 1.00 0.00 O ATOM 832 CB ALA A 54 -6.572 -2.871 -3.153 1.00 0.00 C ATOM 0 H ALA A 54 -7.682 -2.089 -5.193 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.955 -2.580 -4.506 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.943 -3.347 -2.401 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.665 -1.808 -2.929 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.560 -3.331 -3.144 1.00 0.00 H new ATOM 838 N ASP A 55 -6.553 -4.978 -5.843 1.00 0.00 N ATOM 839 CA ASP A 55 -6.477 -6.358 -6.291 1.00 0.00 C ATOM 840 C ASP A 55 -5.255 -6.530 -7.195 1.00 0.00 C ATOM 841 O ASP A 55 -4.720 -7.630 -7.320 1.00 0.00 O ATOM 842 CB ASP A 55 -7.719 -6.744 -7.096 1.00 0.00 C ATOM 843 CG ASP A 55 -7.570 -8.006 -7.949 1.00 0.00 C ATOM 844 OD1 ASP A 55 -7.584 -9.102 -7.348 1.00 0.00 O ATOM 845 OD2 ASP A 55 -7.446 -7.846 -9.182 1.00 0.00 O ATOM 0 H ASP A 55 -7.267 -4.417 -6.308 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.406 -6.995 -5.410 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.551 -6.886 -6.406 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.984 -5.912 -7.748 1.00 0.00 H new ATOM 850 N ARG A 56 -4.848 -5.425 -7.803 1.00 0.00 N ATOM 851 CA ARG A 56 -3.699 -5.439 -8.692 1.00 0.00 C ATOM 852 C ARG A 56 -2.526 -4.692 -8.055 1.00 0.00 C ATOM 853 O ARG A 56 -1.598 -4.279 -8.749 1.00 0.00 O ATOM 854 CB ARG A 56 -4.036 -4.795 -10.038 1.00 0.00 C ATOM 855 CG ARG A 56 -5.344 -5.352 -10.601 1.00 0.00 C ATOM 856 CD ARG A 56 -5.123 -6.721 -11.248 1.00 0.00 C ATOM 857 NE ARG A 56 -5.965 -6.851 -12.458 1.00 0.00 N ATOM 858 CZ ARG A 56 -6.168 -8.003 -13.112 1.00 0.00 C ATOM 859 NH1 ARG A 56 -5.591 -9.131 -12.677 1.00 0.00 N ATOM 860 NH2 ARG A 56 -6.948 -8.026 -14.202 1.00 0.00 N ATOM 0 H ARG A 56 -5.294 -4.514 -7.697 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.422 -6.480 -8.860 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.119 -3.715 -9.918 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.226 -4.976 -10.744 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.081 -5.438 -9.802 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.752 -4.659 -11.337 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.072 -6.843 -11.511 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.367 -7.511 -10.538 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.419 -6.011 -12.817 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.997 -9.113 -11.848 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.746 -10.008 -13.175 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.387 -7.167 -14.533 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.103 -8.903 -14.700 1.00 0.00 H new ATOM 874 N LEU A 57 -2.605 -4.540 -6.741 1.00 0.00 N ATOM 875 CA LEU A 57 -1.562 -3.849 -6.003 1.00 0.00 C ATOM 876 C LEU A 57 -0.780 -4.862 -5.165 1.00 0.00 C ATOM 877 O LEU A 57 -1.371 -5.652 -4.429 1.00 0.00 O ATOM 878 CB LEU A 57 -2.155 -2.701 -5.184 1.00 0.00 C ATOM 879 CG LEU A 57 -2.562 -1.455 -5.974 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.103 -0.368 -5.042 1.00 0.00 C ATOM 881 CD2 LEU A 57 -1.403 -0.947 -6.833 1.00 0.00 C ATOM 0 H LEU A 57 -3.376 -4.884 -6.168 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.853 -3.387 -6.689 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.032 -3.074 -4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.427 -2.406 -4.428 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.369 -1.730 -6.653 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.385 0.507 -5.628 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.977 -0.746 -4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.333 -0.090 -4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.719 -0.061 -7.384 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.559 -0.693 -6.192 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.104 -1.724 -7.537 1.00 0.00 H new ATOM 893 N VAL A 58 0.536 -4.807 -5.304 1.00 0.00 N ATOM 894 CA VAL A 58 1.405 -5.710 -4.568 1.00 0.00 C ATOM 895 C VAL A 58 2.374 -4.894 -3.711 1.00 0.00 C ATOM 896 O VAL A 58 2.939 -3.905 -4.177 1.00 0.00 O ATOM 897 CB VAL A 58 2.116 -6.657 -5.537 1.00 0.00 C ATOM 898 CG1 VAL A 58 2.917 -7.718 -4.778 1.00 0.00 C ATOM 899 CG2 VAL A 58 1.119 -7.307 -6.499 1.00 0.00 C ATOM 0 H VAL A 58 1.022 -4.151 -5.915 1.00 0.00 H new ATOM 0 HA VAL A 58 0.821 -6.335 -3.892 1.00 0.00 H new ATOM 0 HB VAL A 58 2.817 -6.067 -6.128 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.413 -8.378 -5.490 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.666 -7.231 -4.153 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.244 -8.302 -4.150 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.650 -7.975 -7.177 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.383 -7.876 -5.931 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.612 -6.533 -7.076 1.00 0.00 H new ATOM 909 N LEU A 59 2.538 -5.337 -2.473 1.00 0.00 N ATOM 910 CA LEU A 59 3.429 -4.660 -1.547 1.00 0.00 C ATOM 911 C LEU A 59 4.784 -5.371 -1.538 1.00 0.00 C ATOM 912 O LEU A 59 4.853 -6.580 -1.322 1.00 0.00 O ATOM 913 CB LEU A 59 2.782 -4.550 -0.165 1.00 0.00 C ATOM 914 CG LEU A 59 2.724 -3.145 0.439 1.00 0.00 C ATOM 915 CD1 LEU A 59 4.125 -2.642 0.792 1.00 0.00 C ATOM 916 CD2 LEU A 59 1.986 -2.180 -0.489 1.00 0.00 C ATOM 0 H LEU A 59 2.068 -6.157 -2.090 1.00 0.00 H new ATOM 0 HA LEU A 59 3.609 -3.635 -1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.766 -4.938 -0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.327 -5.197 0.522 1.00 0.00 H new ATOM 0 HG LEU A 59 2.156 -3.196 1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.055 -1.642 1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.581 -3.316 1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.738 -2.610 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.959 -1.189 -0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.505 -2.128 -1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.967 -2.535 -0.647 1.00 0.00 H new ATOM 928 N ILE A 60 5.828 -4.589 -1.773 1.00 0.00 N ATOM 929 CA ILE A 60 7.177 -5.129 -1.795 1.00 0.00 C ATOM 930 C ILE A 60 8.120 -4.160 -1.080 1.00 0.00 C ATOM 931 O ILE A 60 8.428 -3.089 -1.602 1.00 0.00 O ATOM 932 CB ILE A 60 7.600 -5.456 -3.228 1.00 0.00 C ATOM 933 CG1 ILE A 60 6.665 -6.492 -3.854 1.00 0.00 C ATOM 934 CG2 ILE A 60 9.064 -5.899 -3.280 1.00 0.00 C ATOM 935 CD1 ILE A 60 5.686 -5.831 -4.826 1.00 0.00 C ATOM 0 H ILE A 60 5.767 -3.586 -1.950 1.00 0.00 H new ATOM 0 HA ILE A 60 7.219 -6.074 -1.253 1.00 0.00 H new ATOM 0 HB ILE A 60 7.517 -4.547 -3.824 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.251 -7.246 -4.379 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.111 -7.008 -3.070 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.339 -6.126 -4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.700 -5.099 -2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.197 -6.789 -2.665 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.033 -6.590 -5.257 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.084 -5.095 -4.292 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.242 -5.336 -5.622 1.00 0.00 H new ATOM 947 N PHE A 61 8.554 -4.570 0.103 1.00 0.00 N ATOM 948 CA PHE A 61 9.456 -3.751 0.894 1.00 0.00 C ATOM 949 C PHE A 61 10.864 -4.351 0.917 1.00 0.00 C ATOM 950 O PHE A 61 11.023 -5.565 1.040 1.00 0.00 O ATOM 951 CB PHE A 61 8.903 -3.726 2.320 1.00 0.00 C ATOM 952 CG PHE A 61 9.914 -3.265 3.372 1.00 0.00 C ATOM 953 CD1 PHE A 61 10.173 -1.940 3.531 1.00 0.00 C ATOM 954 CD2 PHE A 61 10.553 -4.181 4.148 1.00 0.00 C ATOM 955 CE1 PHE A 61 11.112 -1.512 4.507 1.00 0.00 C ATOM 956 CE2 PHE A 61 11.492 -3.754 5.124 1.00 0.00 C ATOM 957 CZ PHE A 61 11.751 -2.428 5.283 1.00 0.00 C ATOM 0 H PHE A 61 8.297 -5.459 0.533 1.00 0.00 H new ATOM 0 HA PHE A 61 9.523 -2.751 0.465 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.036 -3.066 2.351 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.553 -4.725 2.581 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.665 -1.213 2.915 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.346 -5.234 4.022 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.318 -0.459 4.633 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.000 -4.481 5.740 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.464 -2.103 6.026 1.00 0.00 H new ATOM 967 N THR A 62 11.848 -3.473 0.795 1.00 0.00 N ATOM 968 CA THR A 62 13.237 -3.901 0.800 1.00 0.00 C ATOM 969 C THR A 62 13.457 -5.010 -0.231 1.00 0.00 C ATOM 970 O THR A 62 14.427 -5.761 -0.143 1.00 0.00 O ATOM 971 CB THR A 62 13.598 -4.318 2.227 1.00 0.00 C ATOM 972 OG1 THR A 62 15.015 -4.469 2.196 1.00 0.00 O ATOM 973 CG2 THR A 62 13.082 -5.715 2.578 1.00 0.00 C ATOM 0 H THR A 62 11.712 -2.467 0.692 1.00 0.00 H new ATOM 0 HA THR A 62 13.902 -3.089 0.505 1.00 0.00 H new ATOM 0 HB THR A 62 13.189 -3.593 2.931 1.00 0.00 H new ATOM 0 HG1 THR A 62 15.277 -4.932 1.373 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.366 -5.961 3.601 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.996 -5.735 2.488 1.00 0.00 H new ATOM 0 HG23 THR A 62 13.516 -6.445 1.895 1.00 0.00 H new ATOM 981 N GLY A 63 12.540 -5.077 -1.185 1.00 0.00 N ATOM 982 CA GLY A 63 12.622 -6.082 -2.232 1.00 0.00 C ATOM 983 C GLY A 63 11.901 -7.366 -1.817 1.00 0.00 C ATOM 984 O GLY A 63 11.727 -8.274 -2.628 1.00 0.00 O ATOM 0 H GLY A 63 11.737 -4.452 -1.255 1.00 0.00 H new ATOM 0 HA2 GLY A 63 12.181 -5.693 -3.150 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.667 -6.302 -2.449 1.00 0.00 H new ATOM 988 N LYS A 64 11.500 -7.400 -0.555 1.00 0.00 N ATOM 989 CA LYS A 64 10.801 -8.557 -0.022 1.00 0.00 C ATOM 990 C LYS A 64 9.296 -8.286 -0.026 1.00 0.00 C ATOM 991 O LYS A 64 8.838 -7.301 0.552 1.00 0.00 O ATOM 992 CB LYS A 64 11.355 -8.931 1.354 1.00 0.00 C ATOM 993 CG LYS A 64 12.782 -9.474 1.242 1.00 0.00 C ATOM 994 CD LYS A 64 12.791 -11.004 1.290 1.00 0.00 C ATOM 995 CE LYS A 64 14.220 -11.539 1.405 1.00 0.00 C ATOM 996 NZ LYS A 64 14.248 -12.997 1.153 1.00 0.00 N ATOM 0 H LYS A 64 11.646 -6.644 0.114 1.00 0.00 H new ATOM 0 HA LYS A 64 10.969 -9.428 -0.655 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.345 -8.056 2.004 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.713 -9.680 1.817 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.233 -9.133 0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.391 -9.077 2.054 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.200 -11.349 2.139 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.321 -11.403 0.391 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.865 -11.028 0.690 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.615 -11.328 2.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.225 -13.345 1.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.648 -13.482 1.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.891 -13.191 0.196 1.00 0.00 H new ATOM 1010 N ILE A 65 8.568 -9.175 -0.684 1.00 0.00 N ATOM 1011 CA ILE A 65 7.123 -9.044 -0.771 1.00 0.00 C ATOM 1012 C ILE A 65 6.516 -9.205 0.624 1.00 0.00 C ATOM 1013 O ILE A 65 7.048 -9.939 1.456 1.00 0.00 O ATOM 1014 CB ILE A 65 6.557 -10.020 -1.804 1.00 0.00 C ATOM 1015 CG1 ILE A 65 7.073 -9.693 -3.207 1.00 0.00 C ATOM 1016 CG2 ILE A 65 5.029 -10.051 -1.749 1.00 0.00 C ATOM 1017 CD1 ILE A 65 7.917 -10.843 -3.763 1.00 0.00 C ATOM 0 H ILE A 65 8.952 -9.990 -1.163 1.00 0.00 H new ATOM 0 HA ILE A 65 6.852 -8.049 -1.125 1.00 0.00 H new ATOM 0 HB ILE A 65 6.909 -11.022 -1.556 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.231 -9.500 -3.872 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.670 -8.781 -3.176 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.652 -10.753 -2.493 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.707 -10.367 -0.757 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.637 -9.056 -1.958 1.00 0.00 H new ATOM 0 HD11 ILE A 65 8.271 -10.585 -4.761 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.771 -11.017 -3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.310 -11.747 -3.816 1.00 0.00 H new ATOM 1029 N LEU A 66 5.410 -8.507 0.838 1.00 0.00 N ATOM 1030 CA LEU A 66 4.725 -8.564 2.118 1.00 0.00 C ATOM 1031 C LEU A 66 3.402 -9.314 1.951 1.00 0.00 C ATOM 1032 O LEU A 66 3.230 -10.072 0.997 1.00 0.00 O ATOM 1033 CB LEU A 66 4.566 -7.159 2.703 1.00 0.00 C ATOM 1034 CG LEU A 66 5.820 -6.282 2.692 1.00 0.00 C ATOM 1035 CD1 LEU A 66 5.548 -4.928 3.351 1.00 0.00 C ATOM 1036 CD2 LEU A 66 7.002 -7.007 3.338 1.00 0.00 C ATOM 0 H LEU A 66 4.971 -7.899 0.146 1.00 0.00 H new ATOM 0 HA LEU A 66 5.318 -9.121 2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.781 -6.643 2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.221 -7.253 3.733 1.00 0.00 H new ATOM 0 HG LEU A 66 6.091 -6.086 1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.455 -4.324 3.330 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.756 -4.412 2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.239 -5.082 4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.880 -6.362 3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.757 -7.253 4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.212 -7.923 2.787 1.00 0.00 H new ATOM 1048 N ARG A 67 2.501 -9.076 2.892 1.00 0.00 N ATOM 1049 CA ARG A 67 1.199 -9.719 2.861 1.00 0.00 C ATOM 1050 C ARG A 67 0.156 -8.841 3.556 1.00 0.00 C ATOM 1051 O ARG A 67 0.441 -8.229 4.584 1.00 0.00 O ATOM 1052 CB ARG A 67 1.243 -11.086 3.547 1.00 0.00 C ATOM 1053 CG ARG A 67 2.110 -12.068 2.757 1.00 0.00 C ATOM 1054 CD ARG A 67 1.444 -12.444 1.432 1.00 0.00 C ATOM 1055 NE ARG A 67 1.319 -13.915 1.327 1.00 0.00 N ATOM 1056 CZ ARG A 67 0.298 -14.620 1.834 1.00 0.00 C ATOM 1057 NH1 ARG A 67 -0.693 -13.993 2.483 1.00 0.00 N ATOM 1058 NH2 ARG A 67 0.268 -15.952 1.691 1.00 0.00 N ATOM 0 H ARG A 67 2.647 -8.446 3.681 1.00 0.00 H new ATOM 0 HA ARG A 67 0.923 -9.858 1.816 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.638 -10.977 4.557 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.232 -11.482 3.641 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.086 -11.623 2.564 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.281 -12.966 3.350 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.459 -11.982 1.367 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.032 -12.060 0.598 1.00 0.00 H new ATOM 0 HE ARG A 67 2.056 -14.424 0.838 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.670 -12.979 2.591 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.470 -14.530 2.869 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.022 -16.429 1.197 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.509 -16.489 2.077 1.00 0.00 H new ATOM 1072 N ASP A 68 -1.030 -8.808 2.967 1.00 0.00 N ATOM 1073 CA ASP A 68 -2.117 -8.015 3.516 1.00 0.00 C ATOM 1074 C ASP A 68 -2.213 -8.263 5.023 1.00 0.00 C ATOM 1075 O ASP A 68 -2.289 -7.319 5.807 1.00 0.00 O ATOM 1076 CB ASP A 68 -3.456 -8.404 2.886 1.00 0.00 C ATOM 1077 CG ASP A 68 -3.626 -9.897 2.599 1.00 0.00 C ATOM 1078 OD1 ASP A 68 -3.051 -10.349 1.586 1.00 0.00 O ATOM 1079 OD2 ASP A 68 -4.327 -10.553 3.400 1.00 0.00 O ATOM 0 H ASP A 68 -1.262 -9.318 2.115 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.910 -6.966 3.303 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.259 -8.083 3.549 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.575 -7.854 1.952 1.00 0.00 H new ATOM 1084 N GLN A 69 -2.205 -9.539 5.381 1.00 0.00 N ATOM 1085 CA GLN A 69 -2.290 -9.923 6.780 1.00 0.00 C ATOM 1086 C GLN A 69 -1.043 -9.459 7.535 1.00 0.00 C ATOM 1087 O GLN A 69 -1.089 -9.247 8.745 1.00 0.00 O ATOM 1088 CB GLN A 69 -2.486 -11.434 6.922 1.00 0.00 C ATOM 1089 CG GLN A 69 -1.264 -12.197 6.408 1.00 0.00 C ATOM 1090 CD GLN A 69 -1.582 -13.681 6.221 1.00 0.00 C ATOM 1091 OE1 GLN A 69 -2.533 -14.213 6.770 1.00 0.00 O ATOM 1092 NE2 GLN A 69 -0.737 -14.319 5.416 1.00 0.00 N ATOM 0 H GLN A 69 -2.141 -10.319 4.727 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.159 -9.433 7.219 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.662 -11.685 7.968 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.372 -11.743 6.367 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.936 -11.770 5.460 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.439 -12.084 7.111 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.039 -13.814 4.988 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.865 -15.313 5.227 1.00 0.00 H new ATOM 1101 N ASP A 70 0.043 -9.315 6.788 1.00 0.00 N ATOM 1102 CA ASP A 70 1.300 -8.880 7.372 1.00 0.00 C ATOM 1103 C ASP A 70 1.300 -7.355 7.494 1.00 0.00 C ATOM 1104 O ASP A 70 0.911 -6.654 6.561 1.00 0.00 O ATOM 1105 CB ASP A 70 2.485 -9.284 6.492 1.00 0.00 C ATOM 1106 CG ASP A 70 2.886 -10.758 6.585 1.00 0.00 C ATOM 1107 OD1 ASP A 70 2.417 -11.414 7.540 1.00 0.00 O ATOM 1108 OD2 ASP A 70 3.653 -11.194 5.700 1.00 0.00 O ATOM 0 H ASP A 70 0.078 -9.492 5.784 1.00 0.00 H new ATOM 0 HA ASP A 70 1.399 -9.352 8.349 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.243 -9.053 5.454 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.345 -8.671 6.763 1.00 0.00 H new ATOM 1113 N ILE A 71 1.741 -6.885 8.652 1.00 0.00 N ATOM 1114 CA ILE A 71 1.797 -5.456 8.907 1.00 0.00 C ATOM 1115 C ILE A 71 3.136 -4.906 8.413 1.00 0.00 C ATOM 1116 O ILE A 71 4.070 -5.667 8.165 1.00 0.00 O ATOM 1117 CB ILE A 71 1.520 -5.165 10.384 1.00 0.00 C ATOM 1118 CG1 ILE A 71 0.023 -5.258 10.690 1.00 0.00 C ATOM 1119 CG2 ILE A 71 2.106 -3.813 10.795 1.00 0.00 C ATOM 1120 CD1 ILE A 71 -0.565 -6.565 10.154 1.00 0.00 C ATOM 0 H ILE A 71 2.063 -7.469 9.424 1.00 0.00 H new ATOM 0 HA ILE A 71 1.015 -4.939 8.351 1.00 0.00 H new ATOM 0 HB ILE A 71 2.019 -5.928 10.982 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.136 -5.198 11.767 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.497 -4.411 10.243 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.895 -3.630 11.849 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.184 -3.821 10.637 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.656 -3.023 10.193 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.630 -6.606 10.384 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.425 -6.611 9.074 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.059 -7.410 10.621 1.00 0.00 H new ATOM 1132 N LEU A 72 3.186 -3.588 8.283 1.00 0.00 N ATOM 1133 CA LEU A 72 4.395 -2.927 7.823 1.00 0.00 C ATOM 1134 C LEU A 72 5.483 -3.062 8.890 1.00 0.00 C ATOM 1135 O LEU A 72 6.459 -3.785 8.699 1.00 0.00 O ATOM 1136 CB LEU A 72 4.097 -1.480 7.428 1.00 0.00 C ATOM 1137 CG LEU A 72 2.807 -1.252 6.637 1.00 0.00 C ATOM 1138 CD1 LEU A 72 2.585 0.237 6.367 1.00 0.00 C ATOM 1139 CD2 LEU A 72 2.801 -2.076 5.348 1.00 0.00 C ATOM 0 H LEU A 72 2.409 -2.960 8.488 1.00 0.00 H new ATOM 0 HA LEU A 72 4.772 -3.408 6.921 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.054 -0.878 8.336 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.933 -1.106 6.837 1.00 0.00 H new ATOM 0 HG LEU A 72 1.969 -1.597 7.243 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.662 0.371 5.803 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.513 0.772 7.314 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.422 0.631 5.791 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.873 -1.895 4.805 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.648 -1.785 4.726 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.878 -3.135 5.593 1.00 0.00 H new ATOM 1151 N SER A 73 5.278 -2.354 9.991 1.00 0.00 N ATOM 1152 CA SER A 73 6.230 -2.385 11.089 1.00 0.00 C ATOM 1153 C SER A 73 6.663 -3.826 11.364 1.00 0.00 C ATOM 1154 O SER A 73 7.854 -4.133 11.350 1.00 0.00 O ATOM 1155 CB SER A 73 5.634 -1.759 12.352 1.00 0.00 C ATOM 1156 OG SER A 73 6.260 -2.246 13.535 1.00 0.00 O ATOM 0 H SER A 73 4.467 -1.755 10.147 1.00 0.00 H new ATOM 0 HA SER A 73 7.103 -1.798 10.803 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.741 -0.675 12.305 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.566 -1.972 12.393 1.00 0.00 H new ATOM 0 HG SER A 73 5.853 -1.822 14.319 1.00 0.00 H new ATOM 1162 N GLN A 74 5.673 -4.672 11.609 1.00 0.00 N ATOM 1163 CA GLN A 74 5.938 -6.073 11.888 1.00 0.00 C ATOM 1164 C GLN A 74 6.925 -6.640 10.866 1.00 0.00 C ATOM 1165 O GLN A 74 7.882 -7.319 11.233 1.00 0.00 O ATOM 1166 CB GLN A 74 4.640 -6.883 11.904 1.00 0.00 C ATOM 1167 CG GLN A 74 4.073 -6.982 13.322 1.00 0.00 C ATOM 1168 CD GLN A 74 3.421 -8.346 13.558 1.00 0.00 C ATOM 1169 OE1 GLN A 74 4.044 -9.388 13.446 1.00 0.00 O ATOM 1170 NE2 GLN A 74 2.135 -8.280 13.891 1.00 0.00 N ATOM 0 H GLN A 74 4.686 -4.414 11.620 1.00 0.00 H new ATOM 0 HA GLN A 74 6.387 -6.148 12.878 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.907 -6.415 11.247 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.826 -7.883 11.512 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.871 -6.826 14.048 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.339 -6.192 13.480 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.674 -7.373 13.967 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.610 -9.136 14.070 1.00 0.00 H new ATOM 1179 N ARG A 75 6.658 -6.340 9.603 1.00 0.00 N ATOM 1180 CA ARG A 75 7.511 -6.812 8.526 1.00 0.00 C ATOM 1181 C ARG A 75 8.897 -6.172 8.627 1.00 0.00 C ATOM 1182 O ARG A 75 9.907 -6.823 8.363 1.00 0.00 O ATOM 1183 CB ARG A 75 6.904 -6.485 7.160 1.00 0.00 C ATOM 1184 CG ARG A 75 5.900 -7.559 6.735 1.00 0.00 C ATOM 1185 CD ARG A 75 6.546 -8.946 6.736 1.00 0.00 C ATOM 1186 NE ARG A 75 5.989 -9.765 5.637 1.00 0.00 N ATOM 1187 CZ ARG A 75 6.595 -10.842 5.120 1.00 0.00 C ATOM 1188 NH1 ARG A 75 7.783 -11.236 5.600 1.00 0.00 N ATOM 1189 NH2 ARG A 75 6.015 -11.525 4.124 1.00 0.00 N ATOM 0 H ARG A 75 5.863 -5.776 9.302 1.00 0.00 H new ATOM 0 HA ARG A 75 7.599 -7.894 8.622 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.409 -5.515 7.201 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.696 -6.407 6.415 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.046 -7.551 7.412 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.519 -7.332 5.739 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.626 -8.853 6.620 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.369 -9.438 7.693 1.00 0.00 H new ATOM 0 HE ARG A 75 5.086 -9.492 5.248 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.225 -10.716 6.358 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.245 -12.056 5.207 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.111 -11.225 3.759 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.477 -12.345 3.731 1.00 0.00 H new ATOM 1203 N GLY A 76 8.901 -4.903 9.009 1.00 0.00 N ATOM 1204 CA GLY A 76 10.146 -4.167 9.148 1.00 0.00 C ATOM 1205 C GLY A 76 9.964 -2.701 8.749 1.00 0.00 C ATOM 1206 O GLY A 76 10.632 -1.820 9.288 1.00 0.00 O ATOM 0 H GLY A 76 8.062 -4.366 9.227 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.494 -4.226 10.179 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.915 -4.624 8.525 1.00 0.00 H new ATOM 1210 N ILE A 77 9.057 -2.486 7.808 1.00 0.00 N ATOM 1211 CA ILE A 77 8.779 -1.142 7.330 1.00 0.00 C ATOM 1212 C ILE A 77 8.759 -0.177 8.517 1.00 0.00 C ATOM 1213 O ILE A 77 7.889 -0.269 9.382 1.00 0.00 O ATOM 1214 CB ILE A 77 7.493 -1.123 6.501 1.00 0.00 C ATOM 1215 CG1 ILE A 77 7.750 -1.628 5.080 1.00 0.00 C ATOM 1216 CG2 ILE A 77 6.856 0.268 6.509 1.00 0.00 C ATOM 1217 CD1 ILE A 77 6.455 -2.121 4.431 1.00 0.00 C ATOM 0 H ILE A 77 8.505 -3.220 7.364 1.00 0.00 H new ATOM 0 HA ILE A 77 9.569 -0.806 6.658 1.00 0.00 H new ATOM 0 HB ILE A 77 6.779 -1.806 6.961 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.181 -0.828 4.478 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.480 -2.437 5.104 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.944 0.254 5.913 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.615 0.552 7.533 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.554 0.990 6.087 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.666 -2.474 3.422 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.040 -2.937 5.022 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.736 -1.303 4.386 1.00 0.00 H new ATOM 1229 N LEU A 78 9.729 0.726 8.522 1.00 0.00 N ATOM 1230 CA LEU A 78 9.834 1.706 9.589 1.00 0.00 C ATOM 1231 C LEU A 78 9.743 3.113 8.994 1.00 0.00 C ATOM 1232 O LEU A 78 9.377 3.276 7.831 1.00 0.00 O ATOM 1233 CB LEU A 78 11.101 1.468 10.413 1.00 0.00 C ATOM 1234 CG LEU A 78 10.897 1.285 11.918 1.00 0.00 C ATOM 1235 CD1 LEU A 78 9.767 0.294 12.203 1.00 0.00 C ATOM 1236 CD2 LEU A 78 12.203 0.876 12.603 1.00 0.00 C ATOM 0 H LEU A 78 10.449 0.799 7.804 1.00 0.00 H new ATOM 0 HA LEU A 78 9.003 1.600 10.287 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.603 0.582 10.024 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.775 2.310 10.257 1.00 0.00 H new ATOM 0 HG LEU A 78 10.598 2.244 12.340 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.644 0.183 13.280 1.00 0.00 H new ATOM 0 HD12 LEU A 78 8.839 0.665 11.768 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.012 -0.673 11.764 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.030 0.753 13.672 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.556 -0.065 12.181 1.00 0.00 H new ATOM 0 HD23 LEU A 78 12.955 1.649 12.444 1.00 0.00 H new ATOM 1248 N ASP A 79 10.083 4.093 9.818 1.00 0.00 N ATOM 1249 CA ASP A 79 10.045 5.480 9.388 1.00 0.00 C ATOM 1250 C ASP A 79 11.131 5.714 8.336 1.00 0.00 C ATOM 1251 O ASP A 79 12.315 5.527 8.610 1.00 0.00 O ATOM 1252 CB ASP A 79 10.309 6.428 10.560 1.00 0.00 C ATOM 1253 CG ASP A 79 10.860 7.801 10.169 1.00 0.00 C ATOM 1254 OD1 ASP A 79 10.054 8.613 9.665 1.00 0.00 O ATOM 1255 OD2 ASP A 79 12.074 8.007 10.384 1.00 0.00 O ATOM 0 H ASP A 79 10.386 3.954 10.782 1.00 0.00 H new ATOM 0 HA ASP A 79 9.054 5.679 8.980 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.379 6.570 11.110 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.013 5.951 11.242 1.00 0.00 H new ATOM 1260 N GLY A 80 10.689 6.119 7.155 1.00 0.00 N ATOM 1261 CA GLY A 80 11.608 6.380 6.061 1.00 0.00 C ATOM 1262 C GLY A 80 12.003 5.081 5.355 1.00 0.00 C ATOM 1263 O GLY A 80 13.188 4.774 5.230 1.00 0.00 O ATOM 0 H GLY A 80 9.706 6.273 6.932 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.144 7.060 5.346 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.500 6.877 6.442 1.00 0.00 H new ATOM 1267 N SER A 81 10.989 4.354 4.912 1.00 0.00 N ATOM 1268 CA SER A 81 11.215 3.095 4.222 1.00 0.00 C ATOM 1269 C SER A 81 10.794 3.219 2.756 1.00 0.00 C ATOM 1270 O SER A 81 9.853 3.944 2.436 1.00 0.00 O ATOM 1271 CB SER A 81 10.456 1.952 4.897 1.00 0.00 C ATOM 1272 OG SER A 81 9.274 2.408 5.550 1.00 0.00 O ATOM 0 H SER A 81 10.008 4.612 5.017 1.00 0.00 H new ATOM 0 HA SER A 81 12.279 2.866 4.270 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.192 1.202 4.151 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.106 1.464 5.623 1.00 0.00 H new ATOM 0 HG SER A 81 9.518 2.919 6.350 1.00 0.00 H new ATOM 1278 N THR A 82 11.511 2.500 1.905 1.00 0.00 N ATOM 1279 CA THR A 82 11.223 2.520 0.481 1.00 0.00 C ATOM 1280 C THR A 82 10.482 1.247 0.068 1.00 0.00 C ATOM 1281 O THR A 82 11.055 0.158 0.080 1.00 0.00 O ATOM 1282 CB THR A 82 12.543 2.723 -0.266 1.00 0.00 C ATOM 1283 OG1 THR A 82 13.086 3.910 0.305 1.00 0.00 O ATOM 1284 CG2 THR A 82 12.334 3.079 -1.739 1.00 0.00 C ATOM 0 H THR A 82 12.291 1.900 2.174 1.00 0.00 H new ATOM 0 HA THR A 82 10.557 3.344 0.225 1.00 0.00 H new ATOM 0 HB THR A 82 13.144 1.816 -0.194 1.00 0.00 H new ATOM 0 HG1 THR A 82 13.945 4.115 -0.121 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.302 3.212 -2.222 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.789 2.275 -2.234 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.762 4.004 -1.812 1.00 0.00 H new ATOM 1292 N VAL A 83 9.218 1.425 -0.287 1.00 0.00 N ATOM 1293 CA VAL A 83 8.392 0.304 -0.702 1.00 0.00 C ATOM 1294 C VAL A 83 8.032 0.461 -2.181 1.00 0.00 C ATOM 1295 O VAL A 83 7.589 1.527 -2.606 1.00 0.00 O ATOM 1296 CB VAL A 83 7.163 0.196 0.204 1.00 0.00 C ATOM 1297 CG1 VAL A 83 6.394 -1.099 -0.069 1.00 0.00 C ATOM 1298 CG2 VAL A 83 7.558 0.299 1.678 1.00 0.00 C ATOM 0 H VAL A 83 8.746 2.329 -0.296 1.00 0.00 H new ATOM 0 HA VAL A 83 8.940 -0.633 -0.598 1.00 0.00 H new ATOM 0 HB VAL A 83 6.503 1.033 -0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.525 -1.152 0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.065 -1.115 -1.108 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.043 -1.954 0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.666 0.219 2.300 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.248 -0.508 1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.042 1.259 1.859 1.00 0.00 H new ATOM 1308 N HIS A 84 8.237 -0.616 -2.924 1.00 0.00 N ATOM 1309 CA HIS A 84 7.940 -0.611 -4.346 1.00 0.00 C ATOM 1310 C HIS A 84 6.461 -0.939 -4.563 1.00 0.00 C ATOM 1311 O HIS A 84 5.951 -1.915 -4.016 1.00 0.00 O ATOM 1312 CB HIS A 84 8.874 -1.561 -5.100 1.00 0.00 C ATOM 1313 CG HIS A 84 10.263 -1.011 -5.316 1.00 0.00 C ATOM 1314 ND1 HIS A 84 10.727 -0.613 -6.557 1.00 0.00 N ATOM 1315 CD2 HIS A 84 11.284 -0.798 -4.437 1.00 0.00 C ATOM 1316 CE1 HIS A 84 11.973 -0.182 -6.420 1.00 0.00 C ATOM 1317 NE2 HIS A 84 12.316 -0.298 -5.105 1.00 0.00 N ATOM 0 H HIS A 84 8.605 -1.498 -2.568 1.00 0.00 H new ATOM 0 HA HIS A 84 8.120 0.383 -4.755 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.947 -2.498 -4.547 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.432 -1.796 -6.068 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.257 -1.002 -3.377 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.605 0.195 -7.210 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.217 -0.043 -4.701 1.00 0.00 H new ATOM 1325 N VAL A 85 5.814 -0.104 -5.363 1.00 0.00 N ATOM 1326 CA VAL A 85 4.404 -0.293 -5.659 1.00 0.00 C ATOM 1327 C VAL A 85 4.258 -0.927 -7.043 1.00 0.00 C ATOM 1328 O VAL A 85 5.090 -0.708 -7.921 1.00 0.00 O ATOM 1329 CB VAL A 85 3.660 1.038 -5.530 1.00 0.00 C ATOM 1330 CG1 VAL A 85 3.923 1.933 -6.742 1.00 0.00 C ATOM 1331 CG2 VAL A 85 2.160 0.810 -5.332 1.00 0.00 C ATOM 0 H VAL A 85 6.240 0.705 -5.815 1.00 0.00 H new ATOM 0 HA VAL A 85 3.951 -0.975 -4.940 1.00 0.00 H new ATOM 0 HB VAL A 85 4.041 1.551 -4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.383 2.872 -6.625 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.991 2.136 -6.819 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.583 1.429 -7.647 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.654 1.772 -5.243 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.759 0.267 -6.187 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.997 0.229 -4.424 1.00 0.00 H new ATOM 1341 N VAL A 86 3.194 -1.702 -7.194 1.00 0.00 N ATOM 1342 CA VAL A 86 2.928 -2.371 -8.457 1.00 0.00 C ATOM 1343 C VAL A 86 1.432 -2.290 -8.767 1.00 0.00 C ATOM 1344 O VAL A 86 0.605 -2.305 -7.857 1.00 0.00 O ATOM 1345 CB VAL A 86 3.453 -3.807 -8.409 1.00 0.00 C ATOM 1346 CG1 VAL A 86 2.780 -4.672 -9.477 1.00 0.00 C ATOM 1347 CG2 VAL A 86 4.975 -3.840 -8.556 1.00 0.00 C ATOM 0 H VAL A 86 2.506 -1.882 -6.463 1.00 0.00 H new ATOM 0 HA VAL A 86 3.455 -1.874 -9.271 1.00 0.00 H new ATOM 0 HB VAL A 86 3.202 -4.223 -7.433 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.171 -5.688 -9.422 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.703 -4.688 -9.307 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.986 -4.257 -10.464 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.322 -4.873 -8.518 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.258 -3.397 -9.511 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.431 -3.274 -7.744 1.00 0.00 H new ATOM 1357 N VAL A 87 1.130 -2.207 -10.054 1.00 0.00 N ATOM 1358 CA VAL A 87 -0.252 -2.125 -10.495 1.00 0.00 C ATOM 1359 C VAL A 87 -0.511 -3.202 -11.551 1.00 0.00 C ATOM 1360 O VAL A 87 -0.789 -2.889 -12.707 1.00 0.00 O ATOM 1361 CB VAL A 87 -0.558 -0.712 -10.995 1.00 0.00 C ATOM 1362 CG1 VAL A 87 -2.065 -0.501 -11.153 1.00 0.00 C ATOM 1363 CG2 VAL A 87 0.049 0.342 -10.067 1.00 0.00 C ATOM 0 H VAL A 87 1.819 -2.195 -10.806 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.930 -2.316 -9.663 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.099 -0.597 -11.977 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.255 0.511 -11.510 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.460 -1.219 -11.872 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.555 -0.645 -10.190 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.183 1.337 -10.446 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.367 0.228 -9.066 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.131 0.212 -10.027 1.00 0.00 H new ATOM 1373 N ARG A 88 -0.410 -4.449 -11.115 1.00 0.00 N ATOM 1374 CA ARG A 88 -0.630 -5.574 -12.007 1.00 0.00 C ATOM 1375 C ARG A 88 -1.698 -5.226 -13.047 1.00 0.00 C ATOM 1376 O ARG A 88 -2.604 -4.441 -12.772 1.00 0.00 O ATOM 1377 CB ARG A 88 -1.071 -6.816 -11.230 1.00 0.00 C ATOM 1378 CG ARG A 88 -0.304 -6.938 -9.912 1.00 0.00 C ATOM 1379 CD ARG A 88 -0.371 -8.367 -9.369 1.00 0.00 C ATOM 1380 NE ARG A 88 -1.712 -8.632 -8.803 1.00 0.00 N ATOM 1381 CZ ARG A 88 -2.726 -9.170 -9.494 1.00 0.00 C ATOM 1382 NH1 ARG A 88 -2.558 -9.505 -10.780 1.00 0.00 N ATOM 1383 NH2 ARG A 88 -3.909 -9.374 -8.898 1.00 0.00 N ATOM 0 H ARG A 88 -0.179 -4.705 -10.155 1.00 0.00 H new ATOM 0 HA ARG A 88 0.314 -5.789 -12.508 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.141 -6.763 -11.029 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.904 -7.707 -11.836 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.737 -6.652 -10.065 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.721 -6.247 -9.179 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.157 -9.078 -10.167 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.391 -8.509 -8.602 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.875 -8.390 -7.826 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.658 -9.351 -11.234 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.330 -9.915 -11.305 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.037 -9.120 -7.919 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.681 -9.784 -9.424 1.00 0.00 H new ATOM 1397 N SER A 89 -1.555 -5.827 -14.219 1.00 0.00 N ATOM 1398 CA SER A 89 -2.496 -5.591 -15.300 1.00 0.00 C ATOM 1399 C SER A 89 -2.251 -6.588 -16.435 1.00 0.00 C ATOM 1400 O SER A 89 -1.185 -7.196 -16.511 1.00 0.00 O ATOM 1401 CB SER A 89 -2.386 -4.156 -15.822 1.00 0.00 C ATOM 1402 OG SER A 89 -3.551 -3.759 -16.541 1.00 0.00 O ATOM 0 H SER A 89 -0.802 -6.477 -14.443 1.00 0.00 H new ATOM 0 HA SER A 89 -3.505 -5.732 -14.912 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.228 -3.477 -14.984 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.514 -4.072 -16.470 1.00 0.00 H new ATOM 0 HG SER A 89 -3.443 -2.837 -16.856 1.00 0.00 H new ATOM 1408 N HIS A 90 -3.256 -6.724 -17.287 1.00 0.00 N ATOM 1409 CA HIS A 90 -3.163 -7.637 -18.414 1.00 0.00 C ATOM 1410 C HIS A 90 -2.313 -7.005 -19.518 1.00 0.00 C ATOM 1411 O HIS A 90 -2.201 -5.783 -19.597 1.00 0.00 O ATOM 1412 CB HIS A 90 -4.555 -8.046 -18.898 1.00 0.00 C ATOM 1413 CG HIS A 90 -4.811 -9.534 -18.848 1.00 0.00 C ATOM 1414 ND1 HIS A 90 -5.881 -10.132 -19.489 1.00 0.00 N ATOM 1415 CD2 HIS A 90 -4.124 -10.535 -18.228 1.00 0.00 C ATOM 1416 CE1 HIS A 90 -5.831 -11.436 -19.258 1.00 0.00 C ATOM 1417 NE2 HIS A 90 -4.741 -11.684 -18.476 1.00 0.00 N ATOM 0 H HIS A 90 -4.139 -6.218 -17.220 1.00 0.00 H new ATOM 0 HA HIS A 90 -2.666 -8.556 -18.102 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -5.304 -7.538 -18.290 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -4.688 -7.699 -19.923 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -3.229 -10.414 -17.635 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -6.530 -12.173 -19.624 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -4.448 -12.601 -18.138 1.00 0.00 H new ATOM 1425 N SER A 91 -1.737 -7.866 -20.343 1.00 0.00 N ATOM 1426 CA SER A 91 -0.901 -7.407 -21.439 1.00 0.00 C ATOM 1427 C SER A 91 -1.769 -7.059 -22.650 1.00 0.00 C ATOM 1428 O SER A 91 -2.726 -7.769 -22.957 1.00 0.00 O ATOM 1429 CB SER A 91 0.139 -8.464 -21.819 1.00 0.00 C ATOM 1430 OG SER A 91 1.426 -8.162 -21.287 1.00 0.00 O ATOM 0 H SER A 91 -1.833 -8.879 -20.275 1.00 0.00 H new ATOM 0 HA SER A 91 -0.370 -6.513 -21.112 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.185 -9.439 -21.454 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.203 -8.536 -22.905 1.00 0.00 H new ATOM 0 HG SER A 91 2.061 -8.861 -21.550 1.00 0.00 H new ATOM 1436 N GLY A 92 -1.405 -5.966 -23.304 1.00 0.00 N ATOM 1437 CA GLY A 92 -2.139 -5.514 -24.474 1.00 0.00 C ATOM 1438 C GLY A 92 -2.165 -3.986 -24.549 1.00 0.00 C ATOM 1439 O GLY A 92 -2.992 -3.344 -23.903 1.00 0.00 O ATOM 0 H GLY A 92 -0.611 -5.380 -23.046 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.678 -5.918 -25.375 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -3.159 -5.897 -24.438 1.00 0.00 H new ATOM 1443 N PRO A 93 -1.226 -3.434 -25.363 1.00 0.00 N ATOM 1444 CA PRO A 93 -1.134 -1.994 -25.531 1.00 0.00 C ATOM 1445 C PRO A 93 -2.263 -1.472 -26.422 1.00 0.00 C ATOM 1446 O PRO A 93 -2.669 -2.141 -27.371 1.00 0.00 O ATOM 1447 CB PRO A 93 0.246 -1.754 -26.119 1.00 0.00 C ATOM 1448 CG PRO A 93 0.694 -3.090 -26.691 1.00 0.00 C ATOM 1449 CD PRO A 93 -0.231 -4.164 -26.143 1.00 0.00 C ATOM 0 HA PRO A 93 -1.252 -1.453 -24.592 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.212 -0.989 -26.894 1.00 0.00 H new ATOM 0 HB3 PRO A 93 0.940 -1.404 -25.355 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.655 -3.072 -27.780 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.727 -3.297 -26.413 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.698 -4.733 -26.947 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.313 -4.877 -25.523 1.00 0.00 H new ATOM 1457 N SER A 94 -2.739 -0.283 -26.084 1.00 0.00 N ATOM 1458 CA SER A 94 -3.813 0.336 -26.842 1.00 0.00 C ATOM 1459 C SER A 94 -5.011 -0.612 -26.921 1.00 0.00 C ATOM 1460 O SER A 94 -5.138 -1.380 -27.874 1.00 0.00 O ATOM 1461 CB SER A 94 -3.346 0.720 -28.247 1.00 0.00 C ATOM 1462 OG SER A 94 -2.249 1.628 -28.215 1.00 0.00 O ATOM 0 H SER A 94 -2.401 0.268 -25.295 1.00 0.00 H new ATOM 0 HA SER A 94 -4.113 1.249 -26.327 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.057 -0.179 -28.791 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.174 1.171 -28.794 1.00 0.00 H new ATOM 0 HG SER A 94 -1.979 1.847 -29.131 1.00 0.00 H new ATOM 1468 N SER A 95 -5.860 -0.528 -25.908 1.00 0.00 N ATOM 1469 CA SER A 95 -7.044 -1.369 -25.851 1.00 0.00 C ATOM 1470 C SER A 95 -6.645 -2.842 -25.970 1.00 0.00 C ATOM 1471 O SER A 95 -6.710 -3.421 -27.053 1.00 0.00 O ATOM 1472 CB SER A 95 -8.037 -0.998 -26.954 1.00 0.00 C ATOM 1473 OG SER A 95 -9.389 -1.150 -26.529 1.00 0.00 O ATOM 0 H SER A 95 -5.752 0.110 -25.119 1.00 0.00 H new ATOM 0 HA SER A 95 -7.533 -1.207 -24.890 1.00 0.00 H new ATOM 0 HB2 SER A 95 -7.868 0.034 -27.262 1.00 0.00 H new ATOM 0 HB3 SER A 95 -7.859 -1.625 -27.828 1.00 0.00 H new ATOM 0 HG SER A 95 -9.992 -0.902 -27.261 1.00 0.00 H new ATOM 1479 N GLY A 96 -6.242 -3.406 -24.840 1.00 0.00 N ATOM 1480 CA GLY A 96 -5.834 -4.799 -24.804 1.00 0.00 C ATOM 1481 C GLY A 96 -6.891 -5.663 -24.114 1.00 0.00 C ATOM 1482 O GLY A 96 -6.599 -6.773 -23.671 1.00 0.00 O ATOM 0 H GLY A 96 -6.190 -2.923 -23.943 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -5.671 -5.160 -25.819 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -4.884 -4.890 -24.277 1.00 0.00 H new TER 1486 GLY A 96