USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 814 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 74 THR OG1 : rot 180:sc= -0.0122 USER MOD Set 1.2: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 62 THR OG1 : rot 141:sc= 0.654 USER MOD Set 2.2: A 66 GLN : amide:sc= 0.731 K(o=1.4,f=-0.95!) USER MOD Set 3.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 35 GLN : amide:sc= -1.18 X(o=-1.2,f=-0.8) USER MOD Set 4.1: A 19 HIS : no HD1:sc= -6.05 X(o=-8.2,f=-7.8!) USER MOD Set 4.2: A 21 MET CE :methyl -126:sc= -0.822 (180deg=-0.032) USER MOD Set 4.3: A 87 HIS : no HD1:sc= -1.3 K(o=-8.2,f=-7.2) USER MOD Single : A 1 GLY N :NH3+ 149:sc= 0.00627 (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 50:sc= 0.885 USER MOD Single : A 8 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.022) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -12.1! C(o=-12!,f=-17!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.152 K(o=-0.15,f=-1.9!) USER MOD Single : A 44 SER OG : rot -170:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.07 K(o=-1.1,f=-3.7!) USER MOD Single : A 46 HIS : no HE2:sc= -2.31! C(o=-2.3!,f=-3.5!) USER MOD Single : A 50 ASN : amide:sc= -0.188 K(o=-0.19,f=-2.2!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0101 K(o=-0.01,f=-2.2) USER MOD Single : A 59 MET CE :methyl 172:sc= -2.7 (180deg=-3.34!) USER MOD Single : A 61 THR OG1 : rot -44:sc= 0.0168 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0.0609 X(o=0.061,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 104:sc= 1.18 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.853 15.331 12.246 1.00 0.00 N ATOM 2 CA GLY A 1 -8.064 14.666 13.267 1.00 0.00 C ATOM 3 C GLY A 1 -8.394 13.192 13.384 1.00 0.00 C ATOM 4 O GLY A 1 -9.553 12.796 13.267 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.010 16.322 12.519 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.346 15.298 11.339 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.770 14.850 12.148 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.005 14.781 13.036 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.235 15.151 14.228 1.00 0.00 H new ATOM 8 N SER A 2 -7.370 12.376 13.616 1.00 0.00 N ATOM 9 CA SER A 2 -7.555 10.934 13.744 1.00 0.00 C ATOM 10 C SER A 2 -8.149 10.348 12.468 1.00 0.00 C ATOM 11 O SER A 2 -9.247 10.718 12.053 1.00 0.00 O ATOM 12 CB SER A 2 -8.464 10.620 14.934 1.00 0.00 C ATOM 13 OG SER A 2 -7.751 10.701 16.156 1.00 0.00 O ATOM 0 H SER A 2 -6.404 12.688 13.719 1.00 0.00 H new ATOM 0 HA SER A 2 -6.578 10.480 13.911 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.301 11.318 14.951 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.885 9.621 14.820 1.00 0.00 H new ATOM 0 HG SER A 2 -8.354 10.498 16.901 1.00 0.00 H new ATOM 19 N SER A 3 -7.413 9.429 11.848 1.00 0.00 N ATOM 20 CA SER A 3 -7.864 8.793 10.616 1.00 0.00 C ATOM 21 C SER A 3 -7.977 7.282 10.795 1.00 0.00 C ATOM 22 O SER A 3 -6.971 6.576 10.863 1.00 0.00 O ATOM 23 CB SER A 3 -6.901 9.112 9.471 1.00 0.00 C ATOM 24 OG SER A 3 -7.318 8.492 8.267 1.00 0.00 O ATOM 0 H SER A 3 -6.503 9.109 12.179 1.00 0.00 H new ATOM 0 HA SER A 3 -8.851 9.187 10.372 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.846 10.191 9.328 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.898 8.773 9.730 1.00 0.00 H new ATOM 0 HG SER A 3 -6.687 8.712 7.550 1.00 0.00 H new ATOM 30 N GLY A 4 -9.211 6.792 10.870 1.00 0.00 N ATOM 31 CA GLY A 4 -9.434 5.368 11.041 1.00 0.00 C ATOM 32 C GLY A 4 -9.559 4.638 9.718 1.00 0.00 C ATOM 33 O GLY A 4 -8.707 4.781 8.841 1.00 0.00 O ATOM 0 H GLY A 4 -10.060 7.355 10.815 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.610 4.940 11.612 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.341 5.213 11.625 1.00 0.00 H new ATOM 37 N SER A 5 -10.623 3.854 9.575 1.00 0.00 N ATOM 38 CA SER A 5 -10.852 3.095 8.351 1.00 0.00 C ATOM 39 C SER A 5 -12.294 2.601 8.281 1.00 0.00 C ATOM 40 O SER A 5 -12.603 1.489 8.709 1.00 0.00 O ATOM 41 CB SER A 5 -9.890 1.907 8.275 1.00 0.00 C ATOM 42 OG SER A 5 -9.244 1.855 7.015 1.00 0.00 O ATOM 0 H SER A 5 -11.339 3.728 10.290 1.00 0.00 H new ATOM 0 HA SER A 5 -10.670 3.756 7.503 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.145 1.987 9.066 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.437 0.980 8.445 1.00 0.00 H new ATOM 0 HG SER A 5 -8.634 1.089 6.992 1.00 0.00 H new ATOM 48 N SER A 6 -13.174 3.437 7.738 1.00 0.00 N ATOM 49 CA SER A 6 -14.584 3.090 7.615 1.00 0.00 C ATOM 50 C SER A 6 -15.328 4.128 6.781 1.00 0.00 C ATOM 51 O SER A 6 -15.872 5.095 7.313 1.00 0.00 O ATOM 52 CB SER A 6 -15.226 2.974 8.998 1.00 0.00 C ATOM 53 OG SER A 6 -15.151 4.204 9.699 1.00 0.00 O ATOM 0 H SER A 6 -12.934 4.360 7.376 1.00 0.00 H new ATOM 0 HA SER A 6 -14.653 2.127 7.110 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.269 2.674 8.895 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.725 2.194 9.571 1.00 0.00 H new ATOM 0 HG SER A 6 -15.471 4.929 9.122 1.00 0.00 H new ATOM 59 N GLY A 7 -15.348 3.920 5.467 1.00 0.00 N ATOM 60 CA GLY A 7 -16.029 4.845 4.580 1.00 0.00 C ATOM 61 C GLY A 7 -17.183 4.198 3.841 1.00 0.00 C ATOM 62 O GLY A 7 -17.402 4.469 2.660 1.00 0.00 O ATOM 0 H GLY A 7 -14.905 3.128 5.002 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.401 5.691 5.158 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.316 5.242 3.857 1.00 0.00 H new ATOM 66 N GLN A 8 -17.921 3.339 4.536 1.00 0.00 N ATOM 67 CA GLN A 8 -19.057 2.649 3.937 1.00 0.00 C ATOM 68 C GLN A 8 -20.187 3.627 3.629 1.00 0.00 C ATOM 69 O GLN A 8 -20.095 4.815 3.938 1.00 0.00 O ATOM 70 CB GLN A 8 -19.561 1.547 4.870 1.00 0.00 C ATOM 71 CG GLN A 8 -19.028 0.166 4.523 1.00 0.00 C ATOM 72 CD GLN A 8 -19.693 -0.428 3.298 1.00 0.00 C ATOM 73 OE1 GLN A 8 -20.706 -1.122 3.403 1.00 0.00 O ATOM 74 NE2 GLN A 8 -19.130 -0.158 2.127 1.00 0.00 N ATOM 0 H GLN A 8 -17.753 3.104 5.514 1.00 0.00 H new ATOM 0 HA GLN A 8 -18.725 2.199 3.001 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -19.276 1.791 5.894 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -20.650 1.526 4.838 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -17.953 0.228 4.353 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -19.179 -0.501 5.372 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -18.291 0.421 2.086 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -19.536 -0.530 1.268 1.00 0.00 H new ATOM 83 N LYS A 9 -21.252 3.119 3.018 1.00 0.00 N ATOM 84 CA LYS A 9 -22.401 3.946 2.669 1.00 0.00 C ATOM 85 C LYS A 9 -21.961 5.201 1.923 1.00 0.00 C ATOM 86 O LYS A 9 -21.798 6.264 2.519 1.00 0.00 O ATOM 87 CB LYS A 9 -23.178 4.335 3.929 1.00 0.00 C ATOM 88 CG LYS A 9 -24.648 3.956 3.879 1.00 0.00 C ATOM 89 CD LYS A 9 -24.856 2.485 4.196 1.00 0.00 C ATOM 90 CE LYS A 9 -26.159 2.255 4.947 1.00 0.00 C ATOM 91 NZ LYS A 9 -25.991 2.427 6.416 1.00 0.00 N ATOM 0 H LYS A 9 -21.343 2.138 2.754 1.00 0.00 H new ATOM 0 HA LYS A 9 -23.050 3.364 2.015 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -22.717 3.855 4.792 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -23.094 5.411 4.080 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -25.206 4.565 4.590 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -25.048 4.176 2.889 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -24.862 1.910 3.270 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -24.021 2.119 4.793 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -26.915 2.951 4.584 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -26.525 1.250 4.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -26.901 2.262 6.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -25.288 1.745 6.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -25.666 3.394 6.617 1.00 0.00 H new ATOM 105 N GLY A 10 -21.772 5.070 0.613 1.00 0.00 N ATOM 106 CA GLY A 10 -21.354 6.202 -0.193 1.00 0.00 C ATOM 107 C GLY A 10 -19.867 6.190 -0.482 1.00 0.00 C ATOM 108 O GLY A 10 -19.049 6.214 0.437 1.00 0.00 O ATOM 0 H GLY A 10 -21.901 4.200 0.096 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -21.904 6.197 -1.134 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -21.613 7.127 0.323 1.00 0.00 H new ATOM 112 N ARG A 11 -19.515 6.149 -1.764 1.00 0.00 N ATOM 113 CA ARG A 11 -18.115 6.130 -2.172 1.00 0.00 C ATOM 114 C ARG A 11 -17.475 7.502 -1.981 1.00 0.00 C ATOM 115 O ARG A 11 -18.169 8.510 -1.849 1.00 0.00 O ATOM 116 CB ARG A 11 -17.995 5.697 -3.634 1.00 0.00 C ATOM 117 CG ARG A 11 -18.475 4.280 -3.892 1.00 0.00 C ATOM 118 CD ARG A 11 -19.375 4.210 -5.115 1.00 0.00 C ATOM 119 NE ARG A 11 -18.638 3.828 -6.316 1.00 0.00 N ATOM 120 CZ ARG A 11 -18.038 2.653 -6.469 1.00 0.00 C ATOM 121 NH1 ARG A 11 -18.091 1.748 -5.501 1.00 0.00 N ATOM 122 NH2 ARG A 11 -17.386 2.379 -7.592 1.00 0.00 N ATOM 0 H ARG A 11 -20.180 6.128 -2.537 1.00 0.00 H new ATOM 0 HA ARG A 11 -17.588 5.412 -1.543 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -18.569 6.384 -4.256 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -16.953 5.781 -3.944 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -17.616 3.624 -4.033 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -19.016 3.914 -3.020 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -20.174 3.491 -4.936 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -19.848 5.179 -5.273 1.00 0.00 H new ATOM 0 HE ARG A 11 -18.581 4.501 -7.080 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -18.593 1.954 -4.637 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -17.630 0.846 -5.620 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -17.345 3.071 -8.340 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.926 1.476 -7.707 1.00 0.00 H new ATOM 136 N VAL A 12 -16.146 7.533 -1.966 1.00 0.00 N ATOM 137 CA VAL A 12 -15.412 8.780 -1.793 1.00 0.00 C ATOM 138 C VAL A 12 -14.059 8.722 -2.492 1.00 0.00 C ATOM 139 O VAL A 12 -13.258 7.822 -2.243 1.00 0.00 O ATOM 140 CB VAL A 12 -15.193 9.098 -0.302 1.00 0.00 C ATOM 141 CG1 VAL A 12 -16.387 9.855 0.263 1.00 0.00 C ATOM 142 CG2 VAL A 12 -14.941 7.822 0.485 1.00 0.00 C ATOM 0 H VAL A 12 -15.556 6.708 -2.072 1.00 0.00 H new ATOM 0 HA VAL A 12 -16.016 9.569 -2.241 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.312 9.733 -0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.215 10.071 1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -16.517 10.790 -0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -17.286 9.247 0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -14.789 8.067 1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -15.801 7.159 0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.053 7.324 0.096 1.00 0.00 H new ATOM 152 N GLU A 13 -13.811 9.692 -3.368 1.00 0.00 N ATOM 153 CA GLU A 13 -12.553 9.751 -4.104 1.00 0.00 C ATOM 154 C GLU A 13 -11.690 10.909 -3.613 1.00 0.00 C ATOM 155 O GLU A 13 -11.942 12.070 -3.938 1.00 0.00 O ATOM 156 CB GLU A 13 -12.821 9.900 -5.604 1.00 0.00 C ATOM 157 CG GLU A 13 -13.649 8.769 -6.190 1.00 0.00 C ATOM 158 CD GLU A 13 -14.580 9.238 -7.291 1.00 0.00 C ATOM 159 OE1 GLU A 13 -14.294 10.289 -7.901 1.00 0.00 O ATOM 160 OE2 GLU A 13 -15.594 8.553 -7.543 1.00 0.00 O ATOM 0 H GLU A 13 -14.463 10.446 -3.585 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.015 8.820 -3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.335 10.845 -5.780 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.868 9.952 -6.131 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.982 8.002 -6.585 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.235 8.304 -5.397 1.00 0.00 H new ATOM 167 N THR A 14 -10.666 10.585 -2.828 1.00 0.00 N ATOM 168 CA THR A 14 -9.766 11.596 -2.291 1.00 0.00 C ATOM 169 C THR A 14 -8.309 11.201 -2.496 1.00 0.00 C ATOM 170 O THR A 14 -7.871 10.145 -2.036 1.00 0.00 O ATOM 171 CB THR A 14 -10.015 11.830 -0.788 1.00 0.00 C ATOM 172 OG1 THR A 14 -8.827 12.330 -0.166 1.00 0.00 O ATOM 173 CG2 THR A 14 -10.448 10.541 -0.105 1.00 0.00 C ATOM 0 H THR A 14 -10.441 9.630 -2.551 1.00 0.00 H new ATOM 0 HA THR A 14 -9.970 12.519 -2.834 1.00 0.00 H new ATOM 0 HB THR A 14 -10.814 12.564 -0.684 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.995 12.477 0.788 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.618 10.730 0.955 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.369 10.179 -0.561 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.667 9.789 -0.219 1.00 0.00 H new ATOM 181 N ARG A 15 -7.560 12.053 -3.189 1.00 0.00 N ATOM 182 CA ARG A 15 -6.151 11.790 -3.456 1.00 0.00 C ATOM 183 C ARG A 15 -5.907 10.300 -3.674 1.00 0.00 C ATOM 184 O ARG A 15 -6.807 9.567 -4.084 1.00 0.00 O ATOM 185 CB ARG A 15 -5.288 12.296 -2.298 1.00 0.00 C ATOM 186 CG ARG A 15 -3.970 12.908 -2.744 1.00 0.00 C ATOM 187 CD ARG A 15 -3.736 14.263 -2.094 1.00 0.00 C ATOM 188 NE ARG A 15 -3.967 15.363 -3.027 1.00 0.00 N ATOM 189 CZ ARG A 15 -4.288 16.594 -2.645 1.00 0.00 C ATOM 190 NH1 ARG A 15 -4.414 16.881 -1.356 1.00 0.00 N ATOM 191 NH2 ARG A 15 -4.482 17.542 -3.553 1.00 0.00 N ATOM 0 H ARG A 15 -7.906 12.931 -3.576 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.874 12.322 -4.366 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.851 13.039 -1.734 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.083 11.468 -1.619 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.151 12.235 -2.490 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.967 13.018 -3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.397 14.372 -1.234 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.714 14.314 -1.719 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.877 15.176 -4.026 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.264 16.155 -0.655 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.661 17.827 -1.066 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.385 17.326 -4.545 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.728 18.487 -3.259 1.00 0.00 H new ATOM 205 N ARG A 16 -4.684 9.860 -3.396 1.00 0.00 N ATOM 206 CA ARG A 16 -4.322 8.458 -3.563 1.00 0.00 C ATOM 207 C ARG A 16 -3.249 8.049 -2.558 1.00 0.00 C ATOM 208 O ARG A 16 -2.081 8.414 -2.698 1.00 0.00 O ATOM 209 CB ARG A 16 -3.824 8.203 -4.988 1.00 0.00 C ATOM 210 CG ARG A 16 -4.472 9.101 -6.028 1.00 0.00 C ATOM 211 CD ARG A 16 -3.872 10.498 -6.011 1.00 0.00 C ATOM 212 NE ARG A 16 -4.885 11.531 -6.211 1.00 0.00 N ATOM 213 CZ ARG A 16 -4.603 12.825 -6.325 1.00 0.00 C ATOM 214 NH1 ARG A 16 -3.346 13.241 -6.260 1.00 0.00 N ATOM 215 NH2 ARG A 16 -5.580 13.705 -6.505 1.00 0.00 N ATOM 0 H ARG A 16 -3.928 10.454 -3.055 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.213 7.856 -3.383 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.744 8.347 -5.018 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.014 7.162 -5.250 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.346 8.662 -7.018 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.544 9.162 -5.840 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.368 10.664 -5.059 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.115 10.577 -6.791 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.862 11.244 -6.266 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.592 12.568 -6.122 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.132 14.235 -6.348 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.548 13.389 -6.556 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.363 14.698 -6.592 1.00 0.00 H new ATOM 229 N VAL A 17 -3.654 7.293 -1.543 1.00 0.00 N ATOM 230 CA VAL A 17 -2.727 6.835 -0.514 1.00 0.00 C ATOM 231 C VAL A 17 -3.040 5.405 -0.090 1.00 0.00 C ATOM 232 O VAL A 17 -4.053 5.145 0.560 1.00 0.00 O ATOM 233 CB VAL A 17 -2.771 7.748 0.726 1.00 0.00 C ATOM 234 CG1 VAL A 17 -1.909 7.174 1.842 1.00 0.00 C ATOM 235 CG2 VAL A 17 -2.324 9.156 0.367 1.00 0.00 C ATOM 0 H VAL A 17 -4.617 6.985 -1.411 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.728 6.871 -0.948 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.800 7.798 1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.952 7.832 2.710 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.280 6.186 2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.877 7.092 1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.361 9.787 1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.304 9.127 -0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.986 9.564 -0.397 1.00 0.00 H new ATOM 245 N VAL A 18 -2.162 4.478 -0.461 1.00 0.00 N ATOM 246 CA VAL A 18 -2.343 3.072 -0.119 1.00 0.00 C ATOM 247 C VAL A 18 -1.480 2.683 1.076 1.00 0.00 C ATOM 248 O VAL A 18 -0.251 2.696 0.998 1.00 0.00 O ATOM 249 CB VAL A 18 -1.998 2.156 -1.307 1.00 0.00 C ATOM 250 CG1 VAL A 18 -0.777 2.678 -2.048 1.00 0.00 C ATOM 251 CG2 VAL A 18 -1.774 0.728 -0.831 1.00 0.00 C ATOM 0 H VAL A 18 -1.318 4.676 -0.999 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.394 2.941 0.137 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.840 2.156 -2.000 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.549 2.017 -2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.980 3.681 -2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.075 2.710 -1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.531 0.094 -1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.950 0.707 -0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.680 0.358 -0.350 1.00 0.00 H new ATOM 261 N HIS A 19 -2.131 2.336 2.181 1.00 0.00 N ATOM 262 CA HIS A 19 -1.424 1.940 3.394 1.00 0.00 C ATOM 263 C HIS A 19 -1.092 0.451 3.369 1.00 0.00 C ATOM 264 O HIS A 19 -1.956 -0.383 3.098 1.00 0.00 O ATOM 265 CB HIS A 19 -2.264 2.266 4.629 1.00 0.00 C ATOM 266 CG HIS A 19 -1.595 1.907 5.920 1.00 0.00 C ATOM 267 ND1 HIS A 19 -2.286 1.708 7.097 1.00 0.00 N ATOM 268 CD2 HIS A 19 -0.289 1.708 6.216 1.00 0.00 C ATOM 269 CE1 HIS A 19 -1.435 1.405 8.060 1.00 0.00 C ATOM 270 NE2 HIS A 19 -0.216 1.398 7.552 1.00 0.00 N ATOM 0 H HIS A 19 -3.148 2.321 2.262 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.491 2.501 3.440 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.493 3.332 4.632 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.214 1.736 4.562 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.541 1.780 5.529 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -1.692 1.198 9.088 1.00 0.00 H new ATOM 0 HE2 HIS A 19 0.640 1.195 8.068 1.00 0.00 H new ATOM 278 N ILE A 20 0.164 0.125 3.651 1.00 0.00 N ATOM 279 CA ILE A 20 0.609 -1.263 3.661 1.00 0.00 C ATOM 280 C ILE A 20 1.342 -1.595 4.956 1.00 0.00 C ATOM 281 O ILE A 20 2.286 -0.907 5.342 1.00 0.00 O ATOM 282 CB ILE A 20 1.536 -1.566 2.468 1.00 0.00 C ATOM 283 CG1 ILE A 20 0.920 -1.037 1.171 1.00 0.00 C ATOM 284 CG2 ILE A 20 1.797 -3.060 2.367 1.00 0.00 C ATOM 285 CD1 ILE A 20 1.941 -0.492 0.196 1.00 0.00 C ATOM 0 H ILE A 20 0.892 0.803 3.876 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.285 -1.882 3.582 1.00 0.00 H new ATOM 0 HB ILE A 20 2.489 -1.062 2.628 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.362 -1.840 0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.204 -0.251 1.412 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.453 -3.258 1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.272 -3.409 3.284 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.853 -3.586 2.225 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.434 -0.135 -0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.483 0.332 0.659 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.643 -1.281 -0.075 1.00 0.00 H new ATOM 297 N MET A 21 0.902 -2.659 5.622 1.00 0.00 N ATOM 298 CA MET A 21 1.518 -3.085 6.873 1.00 0.00 C ATOM 299 C MET A 21 1.806 -4.584 6.853 1.00 0.00 C ATOM 300 O MET A 21 1.306 -5.310 5.994 1.00 0.00 O ATOM 301 CB MET A 21 0.610 -2.744 8.056 1.00 0.00 C ATOM 302 CG MET A 21 -0.211 -1.482 7.847 1.00 0.00 C ATOM 303 SD MET A 21 -1.980 -1.812 7.755 1.00 0.00 S ATOM 304 CE MET A 21 -2.320 -1.368 6.054 1.00 0.00 C ATOM 0 H MET A 21 0.122 -3.241 5.316 1.00 0.00 H new ATOM 0 HA MET A 21 2.462 -2.552 6.985 1.00 0.00 H new ATOM 0 HB2 MET A 21 -0.065 -3.580 8.239 1.00 0.00 H new ATOM 0 HB3 MET A 21 1.221 -2.626 8.951 1.00 0.00 H new ATOM 0 HG2 MET A 21 -0.017 -0.787 8.664 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.111 -0.991 6.929 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.129 -0.638 6.023 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.425 -0.937 5.605 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.613 -2.258 5.497 1.00 0.00 H new ATOM 314 N ASP A 22 2.613 -5.039 7.805 1.00 0.00 N ATOM 315 CA ASP A 22 2.966 -6.451 7.897 1.00 0.00 C ATOM 316 C ASP A 22 4.103 -6.790 6.939 1.00 0.00 C ATOM 317 O ASP A 22 4.721 -7.850 7.043 1.00 0.00 O ATOM 318 CB ASP A 22 1.748 -7.324 7.594 1.00 0.00 C ATOM 319 CG ASP A 22 1.714 -8.584 8.436 1.00 0.00 C ATOM 320 OD1 ASP A 22 2.132 -8.523 9.612 1.00 0.00 O ATOM 321 OD2 ASP A 22 1.270 -9.630 7.920 1.00 0.00 O ATOM 0 H ASP A 22 3.035 -4.451 8.524 1.00 0.00 H new ATOM 0 HA ASP A 22 3.301 -6.651 8.915 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.839 -6.748 7.770 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.753 -7.596 6.539 1.00 0.00 H new ATOM 326 N PHE A 23 4.373 -5.884 6.005 1.00 0.00 N ATOM 327 CA PHE A 23 5.434 -6.089 5.026 1.00 0.00 C ATOM 328 C PHE A 23 6.793 -6.200 5.712 1.00 0.00 C ATOM 329 O PHE A 23 6.981 -5.704 6.822 1.00 0.00 O ATOM 330 CB PHE A 23 5.453 -4.940 4.016 1.00 0.00 C ATOM 331 CG PHE A 23 5.881 -3.627 4.609 1.00 0.00 C ATOM 332 CD1 PHE A 23 7.224 -3.307 4.718 1.00 0.00 C ATOM 333 CD2 PHE A 23 4.939 -2.714 5.054 1.00 0.00 C ATOM 334 CE1 PHE A 23 7.620 -2.100 5.264 1.00 0.00 C ATOM 335 CE2 PHE A 23 5.330 -1.506 5.600 1.00 0.00 C ATOM 336 CZ PHE A 23 6.672 -1.198 5.705 1.00 0.00 C ATOM 0 H PHE A 23 3.872 -5.001 5.906 1.00 0.00 H new ATOM 0 HA PHE A 23 5.234 -7.023 4.501 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.126 -5.197 3.198 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.458 -4.828 3.586 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.970 -4.008 4.373 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.888 -2.949 4.973 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.670 -1.863 5.346 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.586 -0.803 5.944 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.979 -0.254 6.131 1.00 0.00 H new ATOM 346 N GLN A 24 7.736 -6.855 5.042 1.00 0.00 N ATOM 347 CA GLN A 24 9.076 -7.034 5.587 1.00 0.00 C ATOM 348 C GLN A 24 10.111 -6.305 4.735 1.00 0.00 C ATOM 349 O GLN A 24 9.803 -5.817 3.648 1.00 0.00 O ATOM 350 CB GLN A 24 9.422 -8.521 5.671 1.00 0.00 C ATOM 351 CG GLN A 24 8.273 -9.386 6.163 1.00 0.00 C ATOM 352 CD GLN A 24 7.352 -9.826 5.043 1.00 0.00 C ATOM 353 OE1 GLN A 24 7.795 -10.407 4.051 1.00 0.00 O ATOM 354 NE2 GLN A 24 6.061 -9.553 5.194 1.00 0.00 N ATOM 0 H GLN A 24 7.596 -7.270 4.121 1.00 0.00 H new ATOM 0 HA GLN A 24 9.093 -6.609 6.590 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.732 -8.870 4.686 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.274 -8.650 6.338 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.675 -10.266 6.664 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.698 -8.832 6.905 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.736 -9.070 6.032 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.394 -9.826 4.472 1.00 0.00 H new ATOM 363 N ARG A 25 11.340 -6.237 5.236 1.00 0.00 N ATOM 364 CA ARG A 25 12.421 -5.568 4.522 1.00 0.00 C ATOM 365 C ARG A 25 13.518 -6.558 4.144 1.00 0.00 C ATOM 366 O ARG A 25 13.590 -7.658 4.690 1.00 0.00 O ATOM 367 CB ARG A 25 13.006 -4.443 5.378 1.00 0.00 C ATOM 368 CG ARG A 25 11.963 -3.470 5.901 1.00 0.00 C ATOM 369 CD ARG A 25 12.499 -2.047 5.941 1.00 0.00 C ATOM 370 NE ARG A 25 12.588 -1.533 7.305 1.00 0.00 N ATOM 371 CZ ARG A 25 11.544 -1.429 8.120 1.00 0.00 C ATOM 372 NH1 ARG A 25 10.339 -1.801 7.711 1.00 0.00 N ATOM 373 NH2 ARG A 25 11.705 -0.952 9.348 1.00 0.00 N ATOM 0 H ARG A 25 11.612 -6.637 6.134 1.00 0.00 H new ATOM 0 HA ARG A 25 12.010 -5.142 3.607 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.539 -4.880 6.223 1.00 0.00 H new ATOM 0 HB3 ARG A 25 13.740 -3.893 4.788 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.077 -3.509 5.267 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.652 -3.771 6.901 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.485 -2.018 5.478 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.851 -1.399 5.351 1.00 0.00 H new ATOM 0 HE ARG A 25 13.501 -1.238 7.651 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.211 -2.168 6.768 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.540 -1.720 8.339 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.631 -0.665 9.666 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.903 -0.872 9.973 1.00 0.00 H new ATOM 387 N GLY A 26 14.371 -6.160 3.205 1.00 0.00 N ATOM 388 CA GLY A 26 15.452 -7.024 2.770 1.00 0.00 C ATOM 389 C GLY A 26 16.420 -6.318 1.841 1.00 0.00 C ATOM 390 O GLY A 26 17.346 -5.643 2.292 1.00 0.00 O ATOM 0 H GLY A 26 14.332 -5.254 2.738 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.993 -7.392 3.642 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.036 -7.894 2.263 1.00 0.00 H new ATOM 394 N LYS A 27 16.207 -6.475 0.538 1.00 0.00 N ATOM 395 CA LYS A 27 17.067 -5.849 -0.459 1.00 0.00 C ATOM 396 C LYS A 27 16.241 -5.073 -1.480 1.00 0.00 C ATOM 397 O LYS A 27 16.411 -3.866 -1.642 1.00 0.00 O ATOM 398 CB LYS A 27 17.914 -6.907 -1.169 1.00 0.00 C ATOM 399 CG LYS A 27 18.906 -6.326 -2.162 1.00 0.00 C ATOM 400 CD LYS A 27 20.317 -6.312 -1.598 1.00 0.00 C ATOM 401 CE LYS A 27 20.974 -7.679 -1.703 1.00 0.00 C ATOM 402 NZ LYS A 27 22.161 -7.795 -0.811 1.00 0.00 N ATOM 0 H LYS A 27 15.446 -7.031 0.148 1.00 0.00 H new ATOM 0 HA LYS A 27 17.727 -5.150 0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 27 18.457 -7.487 -0.422 1.00 0.00 H new ATOM 0 HB3 LYS A 27 17.253 -7.599 -1.691 1.00 0.00 H new ATOM 0 HG2 LYS A 27 18.887 -6.911 -3.081 1.00 0.00 H new ATOM 0 HG3 LYS A 27 18.608 -5.311 -2.424 1.00 0.00 H new ATOM 0 HD2 LYS A 27 20.917 -5.577 -2.135 1.00 0.00 H new ATOM 0 HD3 LYS A 27 20.289 -6.000 -0.554 1.00 0.00 H new ATOM 0 HE2 LYS A 27 20.249 -8.451 -1.445 1.00 0.00 H new ATOM 0 HE3 LYS A 27 21.276 -7.858 -2.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 22.580 -8.741 -0.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 22.864 -7.075 -1.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 21.869 -7.650 0.176 1.00 0.00 H new ATOM 416 N ASN A 28 15.345 -5.776 -2.166 1.00 0.00 N ATOM 417 CA ASN A 28 14.493 -5.153 -3.171 1.00 0.00 C ATOM 418 C ASN A 28 13.083 -4.932 -2.627 1.00 0.00 C ATOM 419 O ASN A 28 12.094 -5.153 -3.327 1.00 0.00 O ATOM 420 CB ASN A 28 14.435 -6.020 -4.430 1.00 0.00 C ATOM 421 CG ASN A 28 15.798 -6.206 -5.067 1.00 0.00 C ATOM 422 OD1 ASN A 28 16.458 -5.235 -5.440 1.00 0.00 O ATOM 423 ND2 ASN A 28 16.226 -7.456 -5.197 1.00 0.00 N ATOM 0 H ASN A 28 15.191 -6.777 -2.044 1.00 0.00 H new ATOM 0 HA ASN A 28 14.922 -4.184 -3.425 1.00 0.00 H new ATOM 0 HB2 ASN A 28 14.019 -6.995 -4.177 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.759 -5.562 -5.152 1.00 0.00 H new ATOM 0 HD21 ASN A 28 17.135 -7.642 -5.620 1.00 0.00 H new ATOM 0 HD22 ASN A 28 15.646 -8.230 -4.874 1.00 0.00 H new ATOM 430 N LEU A 29 13.001 -4.493 -1.376 1.00 0.00 N ATOM 431 CA LEU A 29 11.714 -4.241 -0.738 1.00 0.00 C ATOM 432 C LEU A 29 10.942 -3.154 -1.480 1.00 0.00 C ATOM 433 O LEU A 29 9.874 -3.409 -2.038 1.00 0.00 O ATOM 434 CB LEU A 29 11.917 -3.831 0.722 1.00 0.00 C ATOM 435 CG LEU A 29 10.646 -3.627 1.545 1.00 0.00 C ATOM 436 CD1 LEU A 29 10.233 -2.163 1.534 1.00 0.00 C ATOM 437 CD2 LEU A 29 9.520 -4.505 1.017 1.00 0.00 C ATOM 0 H LEU A 29 13.810 -4.304 -0.784 1.00 0.00 H new ATOM 0 HA LEU A 29 11.133 -5.163 -0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.524 -4.593 1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.491 -2.905 0.742 1.00 0.00 H new ATOM 0 HG LEU A 29 10.853 -3.918 2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.326 -2.036 2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.032 -1.556 1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.045 -1.846 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.623 -4.346 1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.313 -4.246 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.816 -5.552 1.078 1.00 0.00 H new ATOM 449 N ARG A 30 11.490 -1.944 -1.484 1.00 0.00 N ATOM 450 CA ARG A 30 10.853 -0.819 -2.157 1.00 0.00 C ATOM 451 C ARG A 30 10.147 -1.276 -3.431 1.00 0.00 C ATOM 452 O ARG A 30 9.096 -0.748 -3.794 1.00 0.00 O ATOM 453 CB ARG A 30 11.890 0.255 -2.493 1.00 0.00 C ATOM 454 CG ARG A 30 11.311 1.451 -3.231 1.00 0.00 C ATOM 455 CD ARG A 30 12.268 1.967 -4.294 1.00 0.00 C ATOM 456 NE ARG A 30 12.414 1.025 -5.401 1.00 0.00 N ATOM 457 CZ ARG A 30 13.175 1.255 -6.466 1.00 0.00 C ATOM 458 NH1 ARG A 30 13.855 2.388 -6.566 1.00 0.00 N ATOM 459 NH2 ARG A 30 13.257 0.349 -7.433 1.00 0.00 N ATOM 0 H ARG A 30 12.374 -1.717 -1.029 1.00 0.00 H new ATOM 0 HA ARG A 30 10.109 -0.398 -1.481 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.356 0.599 -1.570 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.678 -0.190 -3.101 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.366 1.170 -3.696 1.00 0.00 H new ATOM 0 HG3 ARG A 30 11.092 2.247 -2.520 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.906 2.922 -4.675 1.00 0.00 H new ATOM 0 HD3 ARG A 30 13.244 2.153 -3.845 1.00 0.00 H new ATOM 0 HE ARG A 30 11.904 0.143 -5.354 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.795 3.086 -5.825 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.438 2.562 -7.384 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.736 -0.525 -7.359 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.841 0.527 -8.250 1.00 0.00 H new ATOM 473 N TYR A 31 10.733 -2.259 -4.104 1.00 0.00 N ATOM 474 CA TYR A 31 10.162 -2.786 -5.338 1.00 0.00 C ATOM 475 C TYR A 31 8.959 -3.677 -5.046 1.00 0.00 C ATOM 476 O TYR A 31 7.918 -3.564 -5.692 1.00 0.00 O ATOM 477 CB TYR A 31 11.218 -3.574 -6.117 1.00 0.00 C ATOM 478 CG TYR A 31 10.633 -4.525 -7.136 1.00 0.00 C ATOM 479 CD1 TYR A 31 10.253 -4.078 -8.395 1.00 0.00 C ATOM 480 CD2 TYR A 31 10.460 -5.872 -6.840 1.00 0.00 C ATOM 481 CE1 TYR A 31 9.717 -4.944 -9.329 1.00 0.00 C ATOM 482 CE2 TYR A 31 9.926 -6.745 -7.768 1.00 0.00 C ATOM 483 CZ TYR A 31 9.556 -6.276 -9.011 1.00 0.00 C ATOM 484 OH TYR A 31 9.024 -7.142 -9.939 1.00 0.00 O ATOM 0 H TYR A 31 11.603 -2.707 -3.816 1.00 0.00 H new ATOM 0 HA TYR A 31 9.827 -1.943 -5.942 1.00 0.00 H new ATOM 0 HB2 TYR A 31 11.881 -2.873 -6.625 1.00 0.00 H new ATOM 0 HB3 TYR A 31 11.830 -4.139 -5.414 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.379 -3.036 -8.648 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.748 -6.243 -5.867 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.426 -4.579 -10.303 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.799 -7.789 -7.521 1.00 0.00 H new ATOM 0 HH TYR A 31 8.979 -8.043 -9.557 1.00 0.00 H new ATOM 494 N GLN A 32 9.111 -4.563 -4.065 1.00 0.00 N ATOM 495 CA GLN A 32 8.038 -5.473 -3.685 1.00 0.00 C ATOM 496 C GLN A 32 6.742 -4.710 -3.429 1.00 0.00 C ATOM 497 O GLN A 32 5.699 -5.028 -4.001 1.00 0.00 O ATOM 498 CB GLN A 32 8.431 -6.268 -2.439 1.00 0.00 C ATOM 499 CG GLN A 32 9.685 -7.107 -2.625 1.00 0.00 C ATOM 500 CD GLN A 32 9.380 -8.519 -3.084 1.00 0.00 C ATOM 501 OE1 GLN A 32 8.307 -9.057 -2.804 1.00 0.00 O ATOM 502 NE2 GLN A 32 10.323 -9.128 -3.793 1.00 0.00 N ATOM 0 H GLN A 32 9.967 -4.669 -3.520 1.00 0.00 H new ATOM 0 HA GLN A 32 7.874 -6.165 -4.511 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.586 -5.577 -1.611 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.605 -6.921 -2.159 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.335 -6.624 -3.355 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.234 -7.146 -1.684 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.197 -8.644 -4.001 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.174 -10.079 -4.129 1.00 0.00 H new ATOM 511 N LEU A 33 6.815 -3.705 -2.565 1.00 0.00 N ATOM 512 CA LEU A 33 5.648 -2.896 -2.232 1.00 0.00 C ATOM 513 C LEU A 33 5.087 -2.211 -3.473 1.00 0.00 C ATOM 514 O LEU A 33 3.893 -2.307 -3.762 1.00 0.00 O ATOM 515 CB LEU A 33 6.013 -1.848 -1.179 1.00 0.00 C ATOM 516 CG LEU A 33 6.399 -2.386 0.200 1.00 0.00 C ATOM 517 CD1 LEU A 33 6.805 -1.249 1.123 1.00 0.00 C ATOM 518 CD2 LEU A 33 5.249 -3.181 0.802 1.00 0.00 C ATOM 0 H LEU A 33 7.670 -3.430 -2.082 1.00 0.00 H new ATOM 0 HA LEU A 33 4.882 -3.558 -1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.843 -1.253 -1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.166 -1.173 -1.059 1.00 0.00 H new ATOM 0 HG LEU A 33 7.254 -3.052 0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.076 -1.652 2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.659 -0.723 0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.971 -0.556 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.540 -3.557 1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.376 -2.537 0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.006 -4.020 0.150 1.00 0.00 H new ATOM 530 N LEU A 34 5.955 -1.523 -4.206 1.00 0.00 N ATOM 531 CA LEU A 34 5.546 -0.824 -5.419 1.00 0.00 C ATOM 532 C LEU A 34 4.952 -1.795 -6.434 1.00 0.00 C ATOM 533 O LEU A 34 4.089 -1.426 -7.230 1.00 0.00 O ATOM 534 CB LEU A 34 6.740 -0.092 -6.037 1.00 0.00 C ATOM 535 CG LEU A 34 7.348 1.030 -5.194 1.00 0.00 C ATOM 536 CD1 LEU A 34 8.724 1.407 -5.721 1.00 0.00 C ATOM 537 CD2 LEU A 34 6.429 2.242 -5.178 1.00 0.00 C ATOM 0 H LEU A 34 6.946 -1.434 -3.982 1.00 0.00 H new ATOM 0 HA LEU A 34 4.781 -0.097 -5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.520 -0.824 -6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.428 0.327 -6.994 1.00 0.00 H new ATOM 0 HG LEU A 34 7.460 0.671 -4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.141 2.207 -5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.380 0.538 -5.679 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.638 1.747 -6.753 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.877 3.031 -4.574 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.285 2.603 -6.196 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.465 1.962 -4.753 1.00 0.00 H new ATOM 549 N GLN A 35 5.418 -3.039 -6.398 1.00 0.00 N ATOM 550 CA GLN A 35 4.931 -4.065 -7.314 1.00 0.00 C ATOM 551 C GLN A 35 3.457 -4.365 -7.060 1.00 0.00 C ATOM 552 O GLN A 35 2.803 -5.036 -7.858 1.00 0.00 O ATOM 553 CB GLN A 35 5.757 -5.344 -7.167 1.00 0.00 C ATOM 554 CG GLN A 35 6.901 -5.446 -8.162 1.00 0.00 C ATOM 555 CD GLN A 35 6.450 -5.237 -9.594 1.00 0.00 C ATOM 556 OE1 GLN A 35 5.971 -6.164 -10.248 1.00 0.00 O ATOM 557 NE2 GLN A 35 6.599 -4.014 -10.090 1.00 0.00 N ATOM 0 H GLN A 35 6.132 -3.361 -5.745 1.00 0.00 H new ATOM 0 HA GLN A 35 5.037 -3.688 -8.331 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.161 -5.392 -6.156 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.102 -6.206 -7.290 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.661 -4.706 -7.913 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.369 -6.426 -8.072 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.001 -3.275 -9.513 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.312 -3.814 -11.048 1.00 0.00 H new ATOM 566 N LEU A 36 2.941 -3.865 -5.942 1.00 0.00 N ATOM 567 CA LEU A 36 1.544 -4.080 -5.582 1.00 0.00 C ATOM 568 C LEU A 36 0.653 -3.000 -6.188 1.00 0.00 C ATOM 569 O LEU A 36 -0.567 -3.150 -6.249 1.00 0.00 O ATOM 570 CB LEU A 36 1.385 -4.095 -4.061 1.00 0.00 C ATOM 571 CG LEU A 36 2.198 -5.152 -3.312 1.00 0.00 C ATOM 572 CD1 LEU A 36 2.161 -4.890 -1.814 1.00 0.00 C ATOM 573 CD2 LEU A 36 1.676 -6.546 -3.624 1.00 0.00 C ATOM 0 H LEU A 36 3.469 -3.308 -5.270 1.00 0.00 H new ATOM 0 HA LEU A 36 1.236 -5.046 -5.982 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.662 -3.113 -3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.331 -4.243 -3.827 1.00 0.00 H new ATOM 0 HG LEU A 36 3.234 -5.091 -3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.745 -5.652 -1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.583 -3.907 -1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.129 -4.924 -1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.266 -7.285 -3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.632 -6.621 -3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.755 -6.733 -4.695 1.00 0.00 H new ATOM 585 N VAL A 37 1.272 -1.911 -6.633 1.00 0.00 N ATOM 586 CA VAL A 37 0.536 -0.807 -7.237 1.00 0.00 C ATOM 587 C VAL A 37 1.139 -0.413 -8.581 1.00 0.00 C ATOM 588 O VAL A 37 0.589 0.421 -9.299 1.00 0.00 O ATOM 589 CB VAL A 37 0.517 0.426 -6.314 1.00 0.00 C ATOM 590 CG1 VAL A 37 0.149 0.025 -4.894 1.00 0.00 C ATOM 591 CG2 VAL A 37 1.864 1.134 -6.345 1.00 0.00 C ATOM 0 H VAL A 37 2.281 -1.770 -6.587 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.486 -1.154 -7.389 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.241 1.119 -6.678 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.141 0.909 -4.257 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.840 -0.434 -4.890 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.882 -0.688 -4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.834 2.003 -5.688 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.642 0.450 -6.007 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.082 1.457 -7.363 1.00 0.00 H new ATOM 601 N GLU A 38 2.275 -1.020 -8.914 1.00 0.00 N ATOM 602 CA GLU A 38 2.954 -0.732 -10.172 1.00 0.00 C ATOM 603 C GLU A 38 2.062 -1.074 -11.362 1.00 0.00 C ATOM 604 O GLU A 38 1.713 -0.218 -12.175 1.00 0.00 O ATOM 605 CB GLU A 38 4.264 -1.515 -10.261 1.00 0.00 C ATOM 606 CG GLU A 38 5.499 -0.631 -10.325 1.00 0.00 C ATOM 607 CD GLU A 38 6.247 -0.771 -11.637 1.00 0.00 C ATOM 608 OE1 GLU A 38 5.618 -0.592 -12.701 1.00 0.00 O ATOM 609 OE2 GLU A 38 7.462 -1.057 -11.600 1.00 0.00 O ATOM 0 H GLU A 38 2.743 -1.713 -8.331 1.00 0.00 H new ATOM 0 HA GLU A 38 3.175 0.335 -10.200 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.343 -2.173 -9.396 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.237 -2.152 -11.145 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.204 0.409 -10.188 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.166 -0.885 -9.501 1.00 0.00 H new ATOM 616 N PRO A 39 1.683 -2.356 -11.468 1.00 0.00 N ATOM 617 CA PRO A 39 0.827 -2.843 -12.554 1.00 0.00 C ATOM 618 C PRO A 39 -0.603 -2.328 -12.440 1.00 0.00 C ATOM 619 O PRO A 39 -1.464 -2.669 -13.252 1.00 0.00 O ATOM 620 CB PRO A 39 0.864 -4.363 -12.382 1.00 0.00 C ATOM 621 CG PRO A 39 1.171 -4.573 -10.939 1.00 0.00 C ATOM 622 CD PRO A 39 2.061 -3.430 -10.534 1.00 0.00 C ATOM 0 HA PRO A 39 1.174 -2.503 -13.530 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -0.090 -4.816 -12.654 1.00 0.00 H new ATOM 0 HB3 PRO A 39 1.625 -4.815 -13.019 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.258 -4.586 -10.344 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.669 -5.530 -10.781 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.894 -3.138 -9.497 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.116 -3.690 -10.626 1.00 0.00 H new ATOM 630 N PHE A 40 -0.851 -1.504 -11.427 1.00 0.00 N ATOM 631 CA PHE A 40 -2.179 -0.942 -11.206 1.00 0.00 C ATOM 632 C PHE A 40 -2.239 0.509 -11.672 1.00 0.00 C ATOM 633 O PHE A 40 -3.309 1.026 -11.992 1.00 0.00 O ATOM 634 CB PHE A 40 -2.554 -1.030 -9.725 1.00 0.00 C ATOM 635 CG PHE A 40 -2.763 -2.437 -9.243 1.00 0.00 C ATOM 636 CD1 PHE A 40 -4.008 -3.038 -9.339 1.00 0.00 C ATOM 637 CD2 PHE A 40 -1.715 -3.158 -8.692 1.00 0.00 C ATOM 638 CE1 PHE A 40 -4.204 -4.333 -8.895 1.00 0.00 C ATOM 639 CE2 PHE A 40 -1.906 -4.452 -8.248 1.00 0.00 C ATOM 640 CZ PHE A 40 -3.151 -5.040 -8.348 1.00 0.00 C ATOM 0 H PHE A 40 -0.150 -1.211 -10.746 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.894 -1.523 -11.789 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.768 -0.564 -9.131 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.465 -0.457 -9.554 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.835 -2.489 -9.765 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.739 -2.703 -8.609 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.179 -4.791 -8.976 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.081 -5.004 -7.822 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.301 -6.051 -7.999 1.00 0.00 H new ATOM 650 N GLY A 41 -1.082 1.162 -11.709 1.00 0.00 N ATOM 651 CA GLY A 41 -1.025 2.548 -12.136 1.00 0.00 C ATOM 652 C GLY A 41 0.390 3.093 -12.149 1.00 0.00 C ATOM 653 O GLY A 41 1.355 2.331 -12.206 1.00 0.00 O ATOM 0 H GLY A 41 -0.183 0.756 -11.451 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.454 2.635 -13.134 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.639 3.155 -11.471 1.00 0.00 H new ATOM 657 N VAL A 42 0.514 4.415 -12.098 1.00 0.00 N ATOM 658 CA VAL A 42 1.820 5.061 -12.106 1.00 0.00 C ATOM 659 C VAL A 42 2.248 5.454 -10.696 1.00 0.00 C ATOM 660 O VAL A 42 1.422 5.859 -9.877 1.00 0.00 O ATOM 661 CB VAL A 42 1.821 6.316 -12.999 1.00 0.00 C ATOM 662 CG1 VAL A 42 0.503 7.063 -12.871 1.00 0.00 C ATOM 663 CG2 VAL A 42 2.992 7.220 -12.645 1.00 0.00 C ATOM 0 H VAL A 42 -0.275 5.060 -12.051 1.00 0.00 H new ATOM 0 HA VAL A 42 2.528 4.337 -12.509 1.00 0.00 H new ATOM 0 HB VAL A 42 1.934 6.003 -14.037 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.522 7.947 -13.509 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.316 6.412 -13.178 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.356 7.367 -11.835 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.977 8.102 -13.285 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.912 7.527 -11.602 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.927 6.679 -12.793 1.00 0.00 H new ATOM 673 N ILE A 43 3.541 5.332 -10.420 1.00 0.00 N ATOM 674 CA ILE A 43 4.078 5.677 -9.109 1.00 0.00 C ATOM 675 C ILE A 43 4.384 7.167 -9.015 1.00 0.00 C ATOM 676 O ILE A 43 5.307 7.664 -9.659 1.00 0.00 O ATOM 677 CB ILE A 43 5.359 4.880 -8.799 1.00 0.00 C ATOM 678 CG1 ILE A 43 5.181 3.413 -9.190 1.00 0.00 C ATOM 679 CG2 ILE A 43 5.714 5.002 -7.324 1.00 0.00 C ATOM 680 CD1 ILE A 43 4.108 2.701 -8.396 1.00 0.00 C ATOM 0 H ILE A 43 4.237 4.997 -11.086 1.00 0.00 H new ATOM 0 HA ILE A 43 3.313 5.419 -8.376 1.00 0.00 H new ATOM 0 HB ILE A 43 6.178 5.295 -9.386 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.935 3.355 -10.250 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.128 2.892 -9.054 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.621 4.434 -7.120 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.879 6.050 -7.075 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.896 4.610 -6.719 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.037 1.665 -8.727 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.362 2.727 -7.336 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.150 3.198 -8.552 1.00 0.00 H new ATOM 692 N SER A 44 3.603 7.877 -8.205 1.00 0.00 N ATOM 693 CA SER A 44 3.789 9.311 -8.028 1.00 0.00 C ATOM 694 C SER A 44 4.810 9.595 -6.930 1.00 0.00 C ATOM 695 O SER A 44 5.757 10.355 -7.130 1.00 0.00 O ATOM 696 CB SER A 44 2.457 9.982 -7.686 1.00 0.00 C ATOM 697 OG SER A 44 1.963 10.725 -8.786 1.00 0.00 O ATOM 0 H SER A 44 2.836 7.481 -7.662 1.00 0.00 H new ATOM 0 HA SER A 44 4.164 9.721 -8.965 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.728 9.224 -7.398 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.588 10.641 -6.828 1.00 0.00 H new ATOM 0 HG SER A 44 1.200 11.268 -8.498 1.00 0.00 H new ATOM 703 N ASN A 45 4.610 8.978 -5.770 1.00 0.00 N ATOM 704 CA ASN A 45 5.513 9.164 -4.640 1.00 0.00 C ATOM 705 C ASN A 45 5.238 8.131 -3.550 1.00 0.00 C ATOM 706 O ASN A 45 4.101 7.968 -3.106 1.00 0.00 O ATOM 707 CB ASN A 45 5.365 10.575 -4.069 1.00 0.00 C ATOM 708 CG ASN A 45 6.554 11.457 -4.394 1.00 0.00 C ATOM 709 OD1 ASN A 45 7.683 11.169 -3.995 1.00 0.00 O ATOM 710 ND2 ASN A 45 6.307 12.540 -5.124 1.00 0.00 N ATOM 0 H ASN A 45 3.831 8.345 -5.588 1.00 0.00 H new ATOM 0 HA ASN A 45 6.534 9.029 -4.996 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.458 11.031 -4.466 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.245 10.516 -2.987 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.068 13.171 -5.375 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.356 12.740 -5.434 1.00 0.00 H new ATOM 717 N HIS A 46 6.289 7.437 -3.123 1.00 0.00 N ATOM 718 CA HIS A 46 6.162 6.421 -2.083 1.00 0.00 C ATOM 719 C HIS A 46 6.933 6.826 -0.831 1.00 0.00 C ATOM 720 O HIS A 46 7.867 7.627 -0.896 1.00 0.00 O ATOM 721 CB HIS A 46 6.668 5.072 -2.596 1.00 0.00 C ATOM 722 CG HIS A 46 8.160 4.942 -2.565 1.00 0.00 C ATOM 723 ND1 HIS A 46 9.005 5.799 -3.238 1.00 0.00 N ATOM 724 CD2 HIS A 46 8.958 4.048 -1.934 1.00 0.00 C ATOM 725 CE1 HIS A 46 10.257 5.437 -3.024 1.00 0.00 C ATOM 726 NE2 HIS A 46 10.256 4.377 -2.236 1.00 0.00 N ATOM 0 H HIS A 46 7.237 7.559 -3.480 1.00 0.00 H new ATOM 0 HA HIS A 46 5.107 6.330 -1.824 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.229 4.276 -1.994 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.320 4.927 -3.619 1.00 0.00 H new ATOM 0 HD1 HIS A 46 8.709 6.589 -3.811 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.634 3.229 -1.309 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.133 5.925 -3.425 1.00 0.00 H new ATOM 734 N LEU A 47 6.536 6.268 0.308 1.00 0.00 N ATOM 735 CA LEU A 47 7.191 6.572 1.576 1.00 0.00 C ATOM 736 C LEU A 47 7.317 5.319 2.437 1.00 0.00 C ATOM 737 O LEU A 47 6.336 4.609 2.664 1.00 0.00 O ATOM 738 CB LEU A 47 6.408 7.647 2.332 1.00 0.00 C ATOM 739 CG LEU A 47 6.887 7.953 3.751 1.00 0.00 C ATOM 740 CD1 LEU A 47 6.207 9.204 4.285 1.00 0.00 C ATOM 741 CD2 LEU A 47 6.625 6.768 4.669 1.00 0.00 C ATOM 0 H LEU A 47 5.765 5.604 0.379 1.00 0.00 H new ATOM 0 HA LEU A 47 8.192 6.945 1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.443 8.569 1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.363 7.340 2.381 1.00 0.00 H new ATOM 0 HG LEU A 47 7.962 8.133 3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.560 9.407 5.296 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.445 10.051 3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.128 9.053 4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.972 7.003 5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.556 6.557 4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.159 5.894 4.296 1.00 0.00 H new ATOM 753 N ILE A 48 8.528 5.055 2.914 1.00 0.00 N ATOM 754 CA ILE A 48 8.780 3.890 3.753 1.00 0.00 C ATOM 755 C ILE A 48 9.583 4.268 4.993 1.00 0.00 C ATOM 756 O ILE A 48 10.789 4.507 4.917 1.00 0.00 O ATOM 757 CB ILE A 48 9.537 2.793 2.980 1.00 0.00 C ATOM 758 CG1 ILE A 48 9.147 2.818 1.501 1.00 0.00 C ATOM 759 CG2 ILE A 48 9.254 1.427 3.585 1.00 0.00 C ATOM 760 CD1 ILE A 48 9.777 1.708 0.690 1.00 0.00 C ATOM 0 H ILE A 48 9.350 5.632 2.734 1.00 0.00 H new ATOM 0 HA ILE A 48 7.807 3.504 4.057 1.00 0.00 H new ATOM 0 HB ILE A 48 10.607 2.988 3.057 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.062 2.746 1.419 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.436 3.778 1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.796 0.663 3.028 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.578 1.416 4.626 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.185 1.222 3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.456 1.789 -0.348 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.863 1.791 0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.467 0.743 1.092 1.00 0.00 H new ATOM 772 N LEU A 49 8.908 4.319 6.136 1.00 0.00 N ATOM 773 CA LEU A 49 9.558 4.667 7.395 1.00 0.00 C ATOM 774 C LEU A 49 10.601 3.621 7.774 1.00 0.00 C ATOM 775 O LEU A 49 10.431 2.433 7.506 1.00 0.00 O ATOM 776 CB LEU A 49 8.518 4.796 8.509 1.00 0.00 C ATOM 777 CG LEU A 49 7.305 5.672 8.197 1.00 0.00 C ATOM 778 CD1 LEU A 49 6.240 5.511 9.271 1.00 0.00 C ATOM 779 CD2 LEU A 49 7.718 7.131 8.068 1.00 0.00 C ATOM 0 H LEU A 49 7.910 4.124 6.217 1.00 0.00 H new ATOM 0 HA LEU A 49 10.062 5.625 7.265 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.164 3.798 8.765 1.00 0.00 H new ATOM 0 HB3 LEU A 49 9.012 5.196 9.395 1.00 0.00 H new ATOM 0 HG LEU A 49 6.884 5.349 7.245 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.384 6.142 9.032 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.922 4.469 9.315 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.650 5.806 10.237 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.841 7.739 7.846 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.165 7.467 9.004 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.444 7.234 7.262 1.00 0.00 H new ATOM 791 N ASN A 50 11.681 4.073 8.405 1.00 0.00 N ATOM 792 CA ASN A 50 12.752 3.176 8.824 1.00 0.00 C ATOM 793 C ASN A 50 12.669 2.893 10.320 1.00 0.00 C ATOM 794 O ASN A 50 13.688 2.703 10.986 1.00 0.00 O ATOM 795 CB ASN A 50 14.115 3.782 8.483 1.00 0.00 C ATOM 796 CG ASN A 50 14.607 3.364 7.110 1.00 0.00 C ATOM 797 OD1 ASN A 50 13.951 2.590 6.414 1.00 0.00 O ATOM 798 ND2 ASN A 50 15.767 3.877 6.717 1.00 0.00 N ATOM 0 H ASN A 50 11.837 5.054 8.637 1.00 0.00 H new ATOM 0 HA ASN A 50 12.636 2.235 8.287 1.00 0.00 H new ATOM 0 HB2 ASN A 50 14.047 4.869 8.526 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.843 3.478 9.235 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.149 3.633 5.803 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.276 4.515 7.329 1.00 0.00 H new ATOM 805 N LYS A 51 11.449 2.864 10.845 1.00 0.00 N ATOM 806 CA LYS A 51 11.230 2.602 12.263 1.00 0.00 C ATOM 807 C LYS A 51 10.340 1.378 12.458 1.00 0.00 C ATOM 808 O LYS A 51 10.573 0.568 13.355 1.00 0.00 O ATOM 809 CB LYS A 51 10.595 3.820 12.935 1.00 0.00 C ATOM 810 CG LYS A 51 11.581 4.659 13.731 1.00 0.00 C ATOM 811 CD LYS A 51 11.416 4.446 15.226 1.00 0.00 C ATOM 812 CE LYS A 51 10.124 5.067 15.737 1.00 0.00 C ATOM 813 NZ LYS A 51 9.567 4.313 16.894 1.00 0.00 N ATOM 0 H LYS A 51 10.595 3.019 10.309 1.00 0.00 H new ATOM 0 HA LYS A 51 12.197 2.404 12.725 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.132 4.445 12.172 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.798 3.484 13.598 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.599 4.403 13.436 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.437 5.713 13.495 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.420 3.378 15.445 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.264 4.883 15.753 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.309 6.100 16.032 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.390 5.092 14.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.687 4.767 17.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.367 3.334 16.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.257 4.311 17.672 1.00 0.00 H new ATOM 827 N ILE A 52 9.323 1.251 11.613 1.00 0.00 N ATOM 828 CA ILE A 52 8.400 0.125 11.693 1.00 0.00 C ATOM 829 C ILE A 52 8.049 -0.398 10.304 1.00 0.00 C ATOM 830 O ILE A 52 8.638 0.017 9.307 1.00 0.00 O ATOM 831 CB ILE A 52 7.103 0.510 12.427 1.00 0.00 C ATOM 832 CG1 ILE A 52 6.179 1.299 11.496 1.00 0.00 C ATOM 833 CG2 ILE A 52 7.421 1.321 13.676 1.00 0.00 C ATOM 834 CD1 ILE A 52 6.749 2.632 11.067 1.00 0.00 C ATOM 0 H ILE A 52 9.117 1.913 10.865 1.00 0.00 H new ATOM 0 HA ILE A 52 8.907 -0.658 12.256 1.00 0.00 H new ATOM 0 HB ILE A 52 6.591 -0.403 12.730 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.972 0.699 10.610 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.226 1.465 11.998 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.494 1.586 14.184 1.00 0.00 H new ATOM 0 HG22 ILE A 52 8.045 0.729 14.345 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.952 2.230 13.394 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.041 3.136 10.409 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.930 3.250 11.946 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.687 2.472 10.536 1.00 0.00 H new ATOM 846 N ASN A 53 7.084 -1.309 10.247 1.00 0.00 N ATOM 847 CA ASN A 53 6.653 -1.888 8.980 1.00 0.00 C ATOM 848 C ASN A 53 5.438 -1.147 8.429 1.00 0.00 C ATOM 849 O ASN A 53 4.436 -1.763 8.069 1.00 0.00 O ATOM 850 CB ASN A 53 6.322 -3.371 9.159 1.00 0.00 C ATOM 851 CG ASN A 53 7.496 -4.164 9.699 1.00 0.00 C ATOM 852 OD1 ASN A 53 8.638 -3.704 9.667 1.00 0.00 O ATOM 853 ND2 ASN A 53 7.221 -5.364 10.197 1.00 0.00 N ATOM 0 H ASN A 53 6.585 -1.663 11.064 1.00 0.00 H new ATOM 0 HA ASN A 53 7.471 -1.789 8.267 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.476 -3.472 9.838 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.014 -3.790 8.201 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.971 -5.944 10.573 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.260 -5.705 10.203 1.00 0.00 H new ATOM 860 N GLU A 54 5.537 0.176 8.368 1.00 0.00 N ATOM 861 CA GLU A 54 4.446 1.000 7.862 1.00 0.00 C ATOM 862 C GLU A 54 4.901 1.831 6.665 1.00 0.00 C ATOM 863 O GLU A 54 5.863 2.593 6.755 1.00 0.00 O ATOM 864 CB GLU A 54 3.918 1.922 8.963 1.00 0.00 C ATOM 865 CG GLU A 54 3.041 1.213 9.982 1.00 0.00 C ATOM 866 CD GLU A 54 1.900 2.081 10.474 1.00 0.00 C ATOM 867 OE1 GLU A 54 2.117 3.298 10.657 1.00 0.00 O ATOM 868 OE2 GLU A 54 0.791 1.545 10.677 1.00 0.00 O ATOM 0 H GLU A 54 6.361 0.700 8.662 1.00 0.00 H new ATOM 0 HA GLU A 54 3.645 0.335 7.539 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.763 2.379 9.479 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.348 2.731 8.506 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.635 0.304 9.537 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.652 0.907 10.831 1.00 0.00 H new ATOM 875 N ALA A 55 4.203 1.675 5.545 1.00 0.00 N ATOM 876 CA ALA A 55 4.534 2.411 4.330 1.00 0.00 C ATOM 877 C ALA A 55 3.283 2.994 3.684 1.00 0.00 C ATOM 878 O ALA A 55 2.168 2.540 3.943 1.00 0.00 O ATOM 879 CB ALA A 55 5.266 1.508 3.349 1.00 0.00 C ATOM 0 H ALA A 55 3.405 1.046 5.453 1.00 0.00 H new ATOM 0 HA ALA A 55 5.189 3.238 4.603 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.507 2.070 2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.186 1.144 3.806 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.630 0.661 3.090 1.00 0.00 H new ATOM 885 N PHE A 56 3.473 4.004 2.840 1.00 0.00 N ATOM 886 CA PHE A 56 2.359 4.650 2.157 1.00 0.00 C ATOM 887 C PHE A 56 2.755 5.067 0.744 1.00 0.00 C ATOM 888 O PHE A 56 3.638 5.905 0.558 1.00 0.00 O ATOM 889 CB PHE A 56 1.888 5.872 2.948 1.00 0.00 C ATOM 890 CG PHE A 56 1.772 5.623 4.425 1.00 0.00 C ATOM 891 CD1 PHE A 56 0.729 4.866 4.933 1.00 0.00 C ATOM 892 CD2 PHE A 56 2.707 6.144 5.305 1.00 0.00 C ATOM 893 CE1 PHE A 56 0.619 4.635 6.291 1.00 0.00 C ATOM 894 CE2 PHE A 56 2.603 5.915 6.664 1.00 0.00 C ATOM 895 CZ PHE A 56 1.558 5.160 7.158 1.00 0.00 C ATOM 0 H PHE A 56 4.389 4.392 2.613 1.00 0.00 H new ATOM 0 HA PHE A 56 1.542 3.932 2.089 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.584 6.694 2.780 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.919 6.192 2.564 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.007 4.451 4.260 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.526 6.736 4.925 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.200 4.045 6.674 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.339 6.326 7.339 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.475 4.980 8.220 1.00 0.00 H new ATOM 905 N ILE A 57 2.097 4.475 -0.247 1.00 0.00 N ATOM 906 CA ILE A 57 2.380 4.785 -1.644 1.00 0.00 C ATOM 907 C ILE A 57 1.318 5.711 -2.227 1.00 0.00 C ATOM 908 O ILE A 57 0.124 5.522 -2.000 1.00 0.00 O ATOM 909 CB ILE A 57 2.457 3.507 -2.499 1.00 0.00 C ATOM 910 CG1 ILE A 57 3.738 2.732 -2.185 1.00 0.00 C ATOM 911 CG2 ILE A 57 2.392 3.855 -3.979 1.00 0.00 C ATOM 912 CD1 ILE A 57 3.676 1.274 -2.582 1.00 0.00 C ATOM 0 H ILE A 57 1.365 3.778 -0.109 1.00 0.00 H new ATOM 0 HA ILE A 57 3.348 5.286 -1.667 1.00 0.00 H new ATOM 0 HB ILE A 57 1.603 2.874 -2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.574 3.205 -2.700 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.942 2.801 -1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.448 2.941 -4.570 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.454 4.368 -4.191 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.228 4.505 -4.237 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.618 0.788 -2.330 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.861 0.786 -2.047 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.504 1.196 -3.655 1.00 0.00 H new ATOM 924 N GLU A 58 1.764 6.711 -2.981 1.00 0.00 N ATOM 925 CA GLU A 58 0.851 7.667 -3.599 1.00 0.00 C ATOM 926 C GLU A 58 0.785 7.458 -5.109 1.00 0.00 C ATOM 927 O GLU A 58 1.784 7.607 -5.811 1.00 0.00 O ATOM 928 CB GLU A 58 1.291 9.100 -3.289 1.00 0.00 C ATOM 929 CG GLU A 58 0.337 10.156 -3.817 1.00 0.00 C ATOM 930 CD GLU A 58 0.628 11.536 -3.260 1.00 0.00 C ATOM 931 OE1 GLU A 58 1.020 11.627 -2.078 1.00 0.00 O ATOM 932 OE2 GLU A 58 0.463 12.525 -4.005 1.00 0.00 O ATOM 0 H GLU A 58 2.750 6.880 -3.179 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.143 7.502 -3.183 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.387 9.216 -2.209 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.279 9.268 -3.717 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.401 10.187 -4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.686 9.875 -3.565 1.00 0.00 H new ATOM 939 N MET A 59 -0.400 7.111 -5.601 1.00 0.00 N ATOM 940 CA MET A 59 -0.597 6.882 -7.028 1.00 0.00 C ATOM 941 C MET A 59 -1.000 8.172 -7.734 1.00 0.00 C ATOM 942 O MET A 59 -1.539 9.088 -7.114 1.00 0.00 O ATOM 943 CB MET A 59 -1.666 5.810 -7.250 1.00 0.00 C ATOM 944 CG MET A 59 -1.365 4.497 -6.545 1.00 0.00 C ATOM 945 SD MET A 59 0.110 3.684 -7.189 1.00 0.00 S ATOM 946 CE MET A 59 -0.498 3.074 -8.759 1.00 0.00 C ATOM 0 H MET A 59 -1.238 6.982 -5.033 1.00 0.00 H new ATOM 0 HA MET A 59 0.347 6.537 -7.450 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.627 6.189 -6.901 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.766 5.624 -8.319 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.236 4.683 -5.479 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.219 3.828 -6.651 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.332 2.672 -9.339 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.233 2.288 -8.584 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.964 3.890 -9.311 1.00 0.00 H new ATOM 956 N ALA A 60 -0.734 8.237 -9.034 1.00 0.00 N ATOM 957 CA ALA A 60 -1.070 9.414 -9.825 1.00 0.00 C ATOM 958 C ALA A 60 -2.580 9.625 -9.882 1.00 0.00 C ATOM 959 O ALA A 60 -3.057 10.756 -9.965 1.00 0.00 O ATOM 960 CB ALA A 60 -0.500 9.288 -11.230 1.00 0.00 C ATOM 0 H ALA A 60 -0.286 7.488 -9.562 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.625 10.284 -9.342 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.759 10.175 -11.809 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.585 9.195 -11.176 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.916 8.404 -11.714 1.00 0.00 H new ATOM 966 N THR A 61 -3.328 8.526 -9.840 1.00 0.00 N ATOM 967 CA THR A 61 -4.783 8.589 -9.888 1.00 0.00 C ATOM 968 C THR A 61 -5.409 7.641 -8.873 1.00 0.00 C ATOM 969 O THR A 61 -5.045 6.467 -8.796 1.00 0.00 O ATOM 970 CB THR A 61 -5.314 8.243 -11.292 1.00 0.00 C ATOM 971 OG1 THR A 61 -4.949 6.902 -11.637 1.00 0.00 O ATOM 972 CG2 THR A 61 -4.763 9.207 -12.332 1.00 0.00 C ATOM 0 H THR A 61 -2.949 7.581 -9.773 1.00 0.00 H new ATOM 0 HA THR A 61 -5.063 9.614 -9.644 1.00 0.00 H new ATOM 0 HB THR A 61 -6.400 8.331 -11.277 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.013 6.745 -11.394 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.152 8.943 -13.315 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.067 10.224 -12.083 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.675 9.146 -12.344 1.00 0.00 H new ATOM 980 N THR A 62 -6.354 8.157 -8.092 1.00 0.00 N ATOM 981 CA THR A 62 -7.030 7.355 -7.079 1.00 0.00 C ATOM 982 C THR A 62 -7.523 6.036 -7.662 1.00 0.00 C ATOM 983 O THR A 62 -7.687 5.052 -6.941 1.00 0.00 O ATOM 984 CB THR A 62 -8.226 8.112 -6.472 1.00 0.00 C ATOM 985 OG1 THR A 62 -8.947 7.254 -5.579 1.00 0.00 O ATOM 986 CG2 THR A 62 -9.159 8.618 -7.562 1.00 0.00 C ATOM 0 H THR A 62 -6.668 9.126 -8.142 1.00 0.00 H new ATOM 0 HA THR A 62 -6.300 7.153 -6.295 1.00 0.00 H new ATOM 0 HB THR A 62 -7.841 8.970 -5.920 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.237 7.767 -4.796 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.995 9.149 -7.107 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.615 9.294 -8.221 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.536 7.774 -8.139 1.00 0.00 H new ATOM 994 N GLU A 63 -7.755 6.022 -8.971 1.00 0.00 N ATOM 995 CA GLU A 63 -8.229 4.820 -9.649 1.00 0.00 C ATOM 996 C GLU A 63 -7.254 3.664 -9.450 1.00 0.00 C ATOM 997 O GLU A 63 -7.660 2.504 -9.354 1.00 0.00 O ATOM 998 CB GLU A 63 -8.418 5.092 -11.143 1.00 0.00 C ATOM 999 CG GLU A 63 -9.617 5.972 -11.455 1.00 0.00 C ATOM 1000 CD GLU A 63 -10.598 5.306 -12.400 1.00 0.00 C ATOM 1001 OE1 GLU A 63 -10.412 5.426 -13.628 1.00 0.00 O ATOM 1002 OE2 GLU A 63 -11.552 4.666 -11.910 1.00 0.00 O ATOM 0 H GLU A 63 -7.623 6.828 -9.582 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.189 4.542 -9.214 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.518 5.567 -11.534 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.530 4.142 -11.665 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.128 6.226 -10.526 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.272 6.907 -11.895 1.00 0.00 H new ATOM 1009 N ASP A 64 -5.966 3.985 -9.391 1.00 0.00 N ATOM 1010 CA ASP A 64 -4.933 2.974 -9.204 1.00 0.00 C ATOM 1011 C ASP A 64 -4.916 2.475 -7.762 1.00 0.00 C ATOM 1012 O ASP A 64 -5.276 1.330 -7.487 1.00 0.00 O ATOM 1013 CB ASP A 64 -3.562 3.540 -9.576 1.00 0.00 C ATOM 1014 CG ASP A 64 -3.637 4.535 -10.718 1.00 0.00 C ATOM 1015 OD1 ASP A 64 -4.446 4.315 -11.644 1.00 0.00 O ATOM 1016 OD2 ASP A 64 -2.887 5.532 -10.686 1.00 0.00 O ATOM 0 H ASP A 64 -5.613 4.939 -9.470 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.160 2.133 -9.859 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.123 4.025 -8.704 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.898 2.722 -9.854 1.00 0.00 H new ATOM 1021 N ALA A 65 -4.494 3.340 -6.846 1.00 0.00 N ATOM 1022 CA ALA A 65 -4.431 2.988 -5.433 1.00 0.00 C ATOM 1023 C ALA A 65 -5.646 2.164 -5.019 1.00 0.00 C ATOM 1024 O ALA A 65 -5.509 1.104 -4.408 1.00 0.00 O ATOM 1025 CB ALA A 65 -4.327 4.243 -4.580 1.00 0.00 C ATOM 0 H ALA A 65 -4.190 4.291 -7.057 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.540 2.380 -5.275 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.281 3.965 -3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.425 4.793 -4.850 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.200 4.872 -4.751 1.00 0.00 H new ATOM 1031 N GLN A 66 -6.833 2.658 -5.355 1.00 0.00 N ATOM 1032 CA GLN A 66 -8.071 1.967 -5.015 1.00 0.00 C ATOM 1033 C GLN A 66 -8.088 0.560 -5.603 1.00 0.00 C ATOM 1034 O GLN A 66 -8.539 -0.387 -4.959 1.00 0.00 O ATOM 1035 CB GLN A 66 -9.278 2.759 -5.522 1.00 0.00 C ATOM 1036 CG GLN A 66 -9.543 4.033 -4.737 1.00 0.00 C ATOM 1037 CD GLN A 66 -10.989 4.480 -4.820 1.00 0.00 C ATOM 1038 OE1 GLN A 66 -11.904 3.657 -4.865 1.00 0.00 O ATOM 1039 NE2 GLN A 66 -11.204 5.791 -4.842 1.00 0.00 N ATOM 0 H GLN A 66 -6.964 3.533 -5.862 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.127 1.888 -3.929 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.120 3.014 -6.570 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.163 2.124 -5.478 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.275 3.874 -3.692 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -8.899 4.828 -5.113 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.416 6.438 -4.803 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.157 6.151 -4.898 1.00 0.00 H new ATOM 1048 N ALA A 67 -7.595 0.431 -6.831 1.00 0.00 N ATOM 1049 CA ALA A 67 -7.553 -0.861 -7.505 1.00 0.00 C ATOM 1050 C ALA A 67 -6.613 -1.824 -6.787 1.00 0.00 C ATOM 1051 O ALA A 67 -6.947 -2.989 -6.575 1.00 0.00 O ATOM 1052 CB ALA A 67 -7.125 -0.685 -8.955 1.00 0.00 C ATOM 0 H ALA A 67 -7.219 1.205 -7.379 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.555 -1.289 -7.482 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.098 -1.657 -9.447 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.837 -0.038 -9.468 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.134 -0.233 -8.989 1.00 0.00 H new ATOM 1058 N ALA A 68 -5.437 -1.330 -6.417 1.00 0.00 N ATOM 1059 CA ALA A 68 -4.450 -2.147 -5.722 1.00 0.00 C ATOM 1060 C ALA A 68 -5.059 -2.819 -4.497 1.00 0.00 C ATOM 1061 O ALA A 68 -4.665 -3.925 -4.123 1.00 0.00 O ATOM 1062 CB ALA A 68 -3.252 -1.298 -5.320 1.00 0.00 C ATOM 0 H ALA A 68 -5.144 -0.368 -6.587 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.116 -2.929 -6.404 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.522 -1.920 -4.802 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.795 -0.869 -6.211 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.580 -0.496 -4.658 1.00 0.00 H new ATOM 1068 N VAL A 69 -6.021 -2.147 -3.874 1.00 0.00 N ATOM 1069 CA VAL A 69 -6.685 -2.680 -2.691 1.00 0.00 C ATOM 1070 C VAL A 69 -7.714 -3.741 -3.070 1.00 0.00 C ATOM 1071 O VAL A 69 -7.953 -4.685 -2.317 1.00 0.00 O ATOM 1072 CB VAL A 69 -7.385 -1.567 -1.889 1.00 0.00 C ATOM 1073 CG1 VAL A 69 -8.276 -2.165 -0.811 1.00 0.00 C ATOM 1074 CG2 VAL A 69 -6.357 -0.624 -1.281 1.00 0.00 C ATOM 0 H VAL A 69 -6.358 -1.231 -4.169 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.911 -3.132 -2.071 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.015 -0.993 -2.569 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.762 -1.363 -0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.034 -2.797 -1.274 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.671 -2.764 -0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.868 0.157 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.701 -1.183 -0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.765 -0.170 -2.076 1.00 0.00 H new ATOM 1084 N ASP A 70 -8.319 -3.578 -4.241 1.00 0.00 N ATOM 1085 CA ASP A 70 -9.322 -4.523 -4.721 1.00 0.00 C ATOM 1086 C ASP A 70 -8.673 -5.841 -5.134 1.00 0.00 C ATOM 1087 O ASP A 70 -9.358 -6.840 -5.353 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.091 -3.926 -5.900 1.00 0.00 C ATOM 1089 CG ASP A 70 -11.587 -4.137 -5.782 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -12.003 -5.020 -5.001 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -12.344 -3.419 -6.468 1.00 0.00 O ATOM 0 H ASP A 70 -8.133 -2.801 -4.875 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.019 -4.722 -3.907 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.882 -2.858 -5.963 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.736 -4.376 -6.827 1.00 0.00 H new ATOM 1096 N TYR A 71 -7.349 -5.834 -5.240 1.00 0.00 N ATOM 1097 CA TYR A 71 -6.607 -7.027 -5.630 1.00 0.00 C ATOM 1098 C TYR A 71 -6.217 -7.851 -4.406 1.00 0.00 C ATOM 1099 O TYR A 71 -5.839 -9.017 -4.524 1.00 0.00 O ATOM 1100 CB TYR A 71 -5.357 -6.640 -6.420 1.00 0.00 C ATOM 1101 CG TYR A 71 -4.736 -7.794 -7.176 1.00 0.00 C ATOM 1102 CD1 TYR A 71 -3.984 -8.758 -6.516 1.00 0.00 C ATOM 1103 CD2 TYR A 71 -4.903 -7.920 -8.550 1.00 0.00 C ATOM 1104 CE1 TYR A 71 -3.416 -9.814 -7.203 1.00 0.00 C ATOM 1105 CE2 TYR A 71 -4.339 -8.973 -9.244 1.00 0.00 C ATOM 1106 CZ TYR A 71 -3.595 -9.917 -8.566 1.00 0.00 C ATOM 1107 OH TYR A 71 -3.032 -10.967 -9.254 1.00 0.00 O ATOM 0 H TYR A 71 -6.767 -5.015 -5.061 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.253 -7.635 -6.263 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.614 -5.850 -7.126 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.618 -6.226 -5.734 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.841 -8.681 -5.448 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.483 -7.182 -9.084 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.835 -10.555 -6.675 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.480 -9.057 -10.312 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.255 -10.892 -10.205 1.00 0.00 H new ATOM 1117 N TYR A 72 -6.311 -7.235 -3.234 1.00 0.00 N ATOM 1118 CA TYR A 72 -5.965 -7.908 -1.987 1.00 0.00 C ATOM 1119 C TYR A 72 -7.169 -8.655 -1.419 1.00 0.00 C ATOM 1120 O TYR A 72 -7.022 -9.574 -0.612 1.00 0.00 O ATOM 1121 CB TYR A 72 -5.449 -6.897 -0.962 1.00 0.00 C ATOM 1122 CG TYR A 72 -5.797 -7.250 0.466 1.00 0.00 C ATOM 1123 CD1 TYR A 72 -4.987 -8.098 1.209 1.00 0.00 C ATOM 1124 CD2 TYR A 72 -6.938 -6.736 1.070 1.00 0.00 C ATOM 1125 CE1 TYR A 72 -5.302 -8.424 2.515 1.00 0.00 C ATOM 1126 CE2 TYR A 72 -7.260 -7.055 2.375 1.00 0.00 C ATOM 1127 CZ TYR A 72 -6.439 -7.900 3.093 1.00 0.00 C ATOM 1128 OH TYR A 72 -6.757 -8.222 4.392 1.00 0.00 O ATOM 0 H TYR A 72 -6.624 -6.271 -3.120 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.178 -8.631 -2.201 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.366 -6.820 -1.054 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.860 -5.915 -1.195 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.096 -8.510 0.759 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.584 -6.076 0.510 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.661 -9.085 3.079 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.149 -6.645 2.831 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.588 -7.769 4.647 1.00 0.00 H new ATOM 1138 N THR A 73 -8.362 -8.254 -1.849 1.00 0.00 N ATOM 1139 CA THR A 73 -9.592 -8.883 -1.384 1.00 0.00 C ATOM 1140 C THR A 73 -9.898 -10.145 -2.182 1.00 0.00 C ATOM 1141 O THR A 73 -10.459 -11.106 -1.653 1.00 0.00 O ATOM 1142 CB THR A 73 -10.789 -7.919 -1.489 1.00 0.00 C ATOM 1143 OG1 THR A 73 -11.933 -8.488 -0.842 1.00 0.00 O ATOM 1144 CG2 THR A 73 -11.119 -7.622 -2.944 1.00 0.00 C ATOM 0 H THR A 73 -8.502 -7.497 -2.518 1.00 0.00 H new ATOM 0 HA THR A 73 -9.438 -9.146 -0.338 1.00 0.00 H new ATOM 0 HB THR A 73 -10.520 -6.985 -0.996 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.690 -7.869 -0.911 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.967 -6.939 -2.993 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.256 -7.163 -3.427 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.370 -8.550 -3.457 1.00 0.00 H new ATOM 1152 N THR A 74 -9.528 -10.139 -3.458 1.00 0.00 N ATOM 1153 CA THR A 74 -9.763 -11.283 -4.328 1.00 0.00 C ATOM 1154 C THR A 74 -8.560 -12.219 -4.346 1.00 0.00 C ATOM 1155 O THR A 74 -8.708 -13.437 -4.436 1.00 0.00 O ATOM 1156 CB THR A 74 -10.074 -10.838 -5.771 1.00 0.00 C ATOM 1157 OG1 THR A 74 -8.867 -10.437 -6.430 1.00 0.00 O ATOM 1158 CG2 THR A 74 -11.069 -9.687 -5.779 1.00 0.00 C ATOM 0 H THR A 74 -9.063 -9.353 -3.912 1.00 0.00 H new ATOM 0 HA THR A 74 -10.626 -11.813 -3.924 1.00 0.00 H new ATOM 0 HB THR A 74 -10.514 -11.682 -6.302 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.072 -10.157 -7.347 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.273 -9.390 -6.808 1.00 0.00 H new ATOM 0 HG22 THR A 74 -11.996 -10.004 -5.302 1.00 0.00 H new ATOM 0 HG23 THR A 74 -10.651 -8.841 -5.233 1.00 0.00 H new ATOM 1166 N THR A 75 -7.365 -11.641 -4.257 1.00 0.00 N ATOM 1167 CA THR A 75 -6.136 -12.423 -4.263 1.00 0.00 C ATOM 1168 C THR A 75 -5.222 -12.020 -3.111 1.00 0.00 C ATOM 1169 O THR A 75 -5.073 -10.841 -2.789 1.00 0.00 O ATOM 1170 CB THR A 75 -5.372 -12.259 -5.590 1.00 0.00 C ATOM 1171 OG1 THR A 75 -6.163 -12.753 -6.676 1.00 0.00 O ATOM 1172 CG2 THR A 75 -4.044 -13.000 -5.546 1.00 0.00 C ATOM 0 H THR A 75 -7.224 -10.634 -4.180 1.00 0.00 H new ATOM 0 HA THR A 75 -6.426 -13.467 -4.146 1.00 0.00 H new ATOM 0 HB THR A 75 -5.173 -11.198 -5.739 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.670 -12.643 -7.516 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.523 -12.869 -6.494 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.431 -12.601 -4.737 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.225 -14.061 -5.375 1.00 0.00 H new ATOM 1180 N PRO A 76 -4.597 -13.020 -2.474 1.00 0.00 N ATOM 1181 CA PRO A 76 -3.686 -12.793 -1.347 1.00 0.00 C ATOM 1182 C PRO A 76 -2.385 -12.123 -1.779 1.00 0.00 C ATOM 1183 O PRO A 76 -1.653 -12.649 -2.616 1.00 0.00 O ATOM 1184 CB PRO A 76 -3.412 -14.206 -0.824 1.00 0.00 C ATOM 1185 CG PRO A 76 -3.636 -15.096 -1.997 1.00 0.00 C ATOM 1186 CD PRO A 76 -4.728 -14.449 -2.804 1.00 0.00 C ATOM 0 HA PRO A 76 -4.117 -12.123 -0.602 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.393 -14.298 -0.447 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.081 -14.460 -0.001 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.725 -15.202 -2.586 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.927 -16.097 -1.678 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.598 -14.628 -3.871 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.710 -14.835 -2.533 1.00 0.00 H new ATOM 1194 N ALA A 77 -2.104 -10.960 -1.201 1.00 0.00 N ATOM 1195 CA ALA A 77 -0.892 -10.220 -1.524 1.00 0.00 C ATOM 1196 C ALA A 77 0.272 -10.659 -0.641 1.00 0.00 C ATOM 1197 O ALA A 77 0.529 -10.062 0.406 1.00 0.00 O ATOM 1198 CB ALA A 77 -1.131 -8.725 -1.379 1.00 0.00 C ATOM 0 H ALA A 77 -2.700 -10.510 -0.506 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.630 -10.436 -2.560 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.216 -8.185 -1.624 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.927 -8.416 -2.057 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.421 -8.501 -0.353 1.00 0.00 H new ATOM 1204 N LEU A 78 0.971 -11.705 -1.068 1.00 0.00 N ATOM 1205 CA LEU A 78 2.107 -12.225 -0.315 1.00 0.00 C ATOM 1206 C LEU A 78 3.377 -11.442 -0.636 1.00 0.00 C ATOM 1207 O LEU A 78 3.912 -11.534 -1.741 1.00 0.00 O ATOM 1208 CB LEU A 78 2.315 -13.707 -0.627 1.00 0.00 C ATOM 1209 CG LEU A 78 1.170 -14.643 -0.237 1.00 0.00 C ATOM 1210 CD1 LEU A 78 1.560 -16.093 -0.477 1.00 0.00 C ATOM 1211 CD2 LEU A 78 0.779 -14.427 1.218 1.00 0.00 C ATOM 0 H LEU A 78 0.771 -12.210 -1.932 1.00 0.00 H new ATOM 0 HA LEU A 78 1.891 -12.111 0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.494 -13.811 -1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.220 -14.041 -0.119 1.00 0.00 H new ATOM 0 HG LEU A 78 0.308 -14.413 -0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.733 -16.744 -0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.791 -16.238 -1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.436 -16.338 0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.037 -15.101 1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.637 -14.630 1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.457 -13.395 1.359 1.00 0.00 H new ATOM 1223 N VAL A 79 3.855 -10.674 0.338 1.00 0.00 N ATOM 1224 CA VAL A 79 5.063 -9.878 0.161 1.00 0.00 C ATOM 1225 C VAL A 79 6.284 -10.603 0.716 1.00 0.00 C ATOM 1226 O VAL A 79 6.336 -10.937 1.901 1.00 0.00 O ATOM 1227 CB VAL A 79 4.937 -8.506 0.849 1.00 0.00 C ATOM 1228 CG1 VAL A 79 6.230 -7.717 0.707 1.00 0.00 C ATOM 1229 CG2 VAL A 79 3.764 -7.728 0.273 1.00 0.00 C ATOM 0 H VAL A 79 3.424 -10.586 1.258 1.00 0.00 H new ATOM 0 HA VAL A 79 5.189 -9.728 -0.911 1.00 0.00 H new ATOM 0 HB VAL A 79 4.752 -8.667 1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.122 -6.750 1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.047 -8.271 1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.449 -7.564 -0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.689 -6.761 0.770 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.918 -7.576 -0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.843 -8.289 0.430 1.00 0.00 H new ATOM 1239 N PHE A 80 7.267 -10.841 -0.146 1.00 0.00 N ATOM 1240 CA PHE A 80 8.488 -11.528 0.257 1.00 0.00 C ATOM 1241 C PHE A 80 8.201 -12.981 0.624 1.00 0.00 C ATOM 1242 O PHE A 80 9.091 -13.710 1.057 1.00 0.00 O ATOM 1243 CB PHE A 80 9.133 -10.809 1.445 1.00 0.00 C ATOM 1244 CG PHE A 80 10.306 -9.951 1.061 1.00 0.00 C ATOM 1245 CD1 PHE A 80 11.341 -10.469 0.300 1.00 0.00 C ATOM 1246 CD2 PHE A 80 10.372 -8.626 1.464 1.00 0.00 C ATOM 1247 CE1 PHE A 80 12.420 -9.683 -0.055 1.00 0.00 C ATOM 1248 CE2 PHE A 80 11.449 -7.835 1.111 1.00 0.00 C ATOM 1249 CZ PHE A 80 12.475 -8.364 0.352 1.00 0.00 C ATOM 0 H PHE A 80 7.242 -10.568 -1.128 1.00 0.00 H new ATOM 0 HA PHE A 80 9.177 -11.515 -0.587 1.00 0.00 H new ATOM 0 HB2 PHE A 80 8.383 -10.188 1.934 1.00 0.00 H new ATOM 0 HB3 PHE A 80 9.458 -11.550 2.175 1.00 0.00 H new ATOM 0 HD1 PHE A 80 11.304 -11.500 -0.020 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.574 -8.208 2.060 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.220 -10.099 -0.650 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.489 -6.803 1.428 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.318 -7.748 0.077 1.00 0.00 H new ATOM 1259 N GLY A 81 6.950 -13.393 0.446 1.00 0.00 N ATOM 1260 CA GLY A 81 6.567 -14.757 0.763 1.00 0.00 C ATOM 1261 C GLY A 81 5.486 -14.823 1.825 1.00 0.00 C ATOM 1262 O GLY A 81 4.776 -15.822 1.937 1.00 0.00 O ATOM 0 H GLY A 81 6.195 -12.808 0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.214 -15.252 -0.142 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.443 -15.307 1.106 1.00 0.00 H new ATOM 1266 N LYS A 82 5.363 -13.758 2.609 1.00 0.00 N ATOM 1267 CA LYS A 82 4.364 -13.699 3.668 1.00 0.00 C ATOM 1268 C LYS A 82 3.252 -12.717 3.313 1.00 0.00 C ATOM 1269 O LYS A 82 3.473 -11.709 2.641 1.00 0.00 O ATOM 1270 CB LYS A 82 5.016 -13.290 4.991 1.00 0.00 C ATOM 1271 CG LYS A 82 6.199 -12.352 4.823 1.00 0.00 C ATOM 1272 CD LYS A 82 7.448 -13.103 4.395 1.00 0.00 C ATOM 1273 CE LYS A 82 8.631 -12.772 5.293 1.00 0.00 C ATOM 1274 NZ LYS A 82 9.482 -13.966 5.553 1.00 0.00 N ATOM 0 H LYS A 82 5.944 -12.923 2.531 1.00 0.00 H new ATOM 0 HA LYS A 82 3.928 -14.692 3.777 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.268 -12.809 5.621 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.346 -14.186 5.516 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.959 -11.591 4.081 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.389 -11.833 5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.257 -14.176 4.423 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.691 -12.850 3.363 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.233 -11.992 4.827 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.268 -12.372 6.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.277 -13.699 6.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.915 -14.702 6.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.850 -14.333 4.652 1.00 0.00 H new ATOM 1288 N PRO A 83 2.028 -13.014 3.775 1.00 0.00 N ATOM 1289 CA PRO A 83 0.859 -12.168 3.519 1.00 0.00 C ATOM 1290 C PRO A 83 0.926 -10.843 4.269 1.00 0.00 C ATOM 1291 O PRO A 83 1.528 -10.753 5.340 1.00 0.00 O ATOM 1292 CB PRO A 83 -0.310 -13.014 4.032 1.00 0.00 C ATOM 1293 CG PRO A 83 0.294 -13.912 5.056 1.00 0.00 C ATOM 1294 CD PRO A 83 1.693 -14.198 4.583 1.00 0.00 C ATOM 0 HA PRO A 83 0.777 -11.895 2.467 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.091 -12.389 4.465 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.769 -13.586 3.225 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.303 -13.435 6.036 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.280 -14.833 5.155 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.382 -14.323 5.418 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.739 -15.113 3.993 1.00 0.00 H new ATOM 1302 N VAL A 84 0.306 -9.814 3.700 1.00 0.00 N ATOM 1303 CA VAL A 84 0.295 -8.492 4.317 1.00 0.00 C ATOM 1304 C VAL A 84 -1.065 -7.823 4.156 1.00 0.00 C ATOM 1305 O VAL A 84 -1.984 -8.393 3.566 1.00 0.00 O ATOM 1306 CB VAL A 84 1.378 -7.582 3.710 1.00 0.00 C ATOM 1307 CG1 VAL A 84 2.757 -8.194 3.898 1.00 0.00 C ATOM 1308 CG2 VAL A 84 1.095 -7.324 2.238 1.00 0.00 C ATOM 0 H VAL A 84 -0.195 -9.870 2.813 1.00 0.00 H new ATOM 0 HA VAL A 84 0.503 -8.634 5.377 1.00 0.00 H new ATOM 0 HB VAL A 84 1.358 -6.625 4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.509 -7.536 3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.957 -8.320 4.962 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.794 -9.165 3.404 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.871 -6.679 1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.086 -8.271 1.698 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.125 -6.837 2.134 1.00 0.00 H new ATOM 1318 N ARG A 85 -1.188 -6.609 4.684 1.00 0.00 N ATOM 1319 CA ARG A 85 -2.437 -5.861 4.599 1.00 0.00 C ATOM 1320 C ARG A 85 -2.319 -4.720 3.593 1.00 0.00 C ATOM 1321 O ARG A 85 -1.301 -4.030 3.536 1.00 0.00 O ATOM 1322 CB ARG A 85 -2.817 -5.307 5.974 1.00 0.00 C ATOM 1323 CG ARG A 85 -3.352 -6.362 6.929 1.00 0.00 C ATOM 1324 CD ARG A 85 -3.640 -5.775 8.302 1.00 0.00 C ATOM 1325 NE ARG A 85 -3.193 -6.655 9.378 1.00 0.00 N ATOM 1326 CZ ARG A 85 -3.374 -6.392 10.667 1.00 0.00 C ATOM 1327 NH1 ARG A 85 -3.992 -5.279 11.038 1.00 0.00 N ATOM 1328 NH2 ARG A 85 -2.939 -7.242 11.588 1.00 0.00 N ATOM 0 H ARG A 85 -0.438 -6.123 5.175 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.218 -6.541 4.260 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.942 -4.835 6.421 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.569 -4.529 5.847 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.264 -6.797 6.519 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.627 -7.171 7.022 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -3.144 -4.809 8.394 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.710 -5.595 8.402 1.00 0.00 H new ATOM 0 HE ARG A 85 -2.715 -7.520 9.125 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.329 -4.624 10.333 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.130 -5.078 12.028 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -2.464 -8.100 11.307 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.079 -7.038 12.577 1.00 0.00 H new ATOM 1342 N VAL A 86 -3.368 -4.528 2.800 1.00 0.00 N ATOM 1343 CA VAL A 86 -3.385 -3.470 1.796 1.00 0.00 C ATOM 1344 C VAL A 86 -4.680 -2.670 1.862 1.00 0.00 C ATOM 1345 O VAL A 86 -5.730 -3.129 1.411 1.00 0.00 O ATOM 1346 CB VAL A 86 -3.219 -4.043 0.375 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -3.461 -2.962 -0.666 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -1.838 -4.658 0.208 1.00 0.00 C ATOM 0 H VAL A 86 -4.218 -5.091 2.833 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.544 -2.812 2.015 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.961 -4.828 0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.340 -3.384 -1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.473 -2.572 -0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.744 -2.153 -0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.737 -5.058 -0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.077 -3.895 0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.708 -5.463 0.932 1.00 0.00 H new ATOM 1358 N HIS A 87 -4.599 -1.468 2.425 1.00 0.00 N ATOM 1359 CA HIS A 87 -5.767 -0.602 2.549 1.00 0.00 C ATOM 1360 C HIS A 87 -5.556 0.704 1.790 1.00 0.00 C ATOM 1361 O HIS A 87 -4.457 0.985 1.307 1.00 0.00 O ATOM 1362 CB HIS A 87 -6.056 -0.308 4.022 1.00 0.00 C ATOM 1363 CG HIS A 87 -6.088 -1.534 4.882 1.00 0.00 C ATOM 1364 ND1 HIS A 87 -5.920 -1.498 6.250 1.00 0.00 N ATOM 1365 CD2 HIS A 87 -6.272 -2.836 4.561 1.00 0.00 C ATOM 1366 CE1 HIS A 87 -5.997 -2.725 6.733 1.00 0.00 C ATOM 1367 NE2 HIS A 87 -6.212 -3.556 5.728 1.00 0.00 N ATOM 0 H HIS A 87 -3.738 -1.072 2.802 1.00 0.00 H new ATOM 0 HA HIS A 87 -6.622 -1.121 2.115 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.296 0.374 4.404 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -7.014 0.206 4.100 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.436 -3.234 3.571 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.901 -3.002 7.772 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -6.316 -4.568 5.807 1.00 0.00 H new ATOM 1375 N LEU A 88 -6.614 1.500 1.686 1.00 0.00 N ATOM 1376 CA LEU A 88 -6.545 2.778 0.984 1.00 0.00 C ATOM 1377 C LEU A 88 -6.648 3.943 1.964 1.00 0.00 C ATOM 1378 O LEU A 88 -7.728 4.492 2.180 1.00 0.00 O ATOM 1379 CB LEU A 88 -7.663 2.871 -0.056 1.00 0.00 C ATOM 1380 CG LEU A 88 -7.314 3.601 -1.352 1.00 0.00 C ATOM 1381 CD1 LEU A 88 -6.810 5.005 -1.055 1.00 0.00 C ATOM 1382 CD2 LEU A 88 -6.277 2.817 -2.144 1.00 0.00 C ATOM 0 H LEU A 88 -7.530 1.284 2.079 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.581 2.836 0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.984 1.860 -0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.516 3.372 0.401 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.218 3.681 -1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.566 5.510 -1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.584 5.566 -0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.918 4.947 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.041 3.352 -3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.372 2.704 -1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.675 1.832 -2.389 1.00 0.00 H new ATOM 1394 N SER A 89 -5.516 4.316 2.551 1.00 0.00 N ATOM 1395 CA SER A 89 -5.477 5.416 3.508 1.00 0.00 C ATOM 1396 C SER A 89 -6.126 6.668 2.924 1.00 0.00 C ATOM 1397 O SER A 89 -6.401 6.735 1.726 1.00 0.00 O ATOM 1398 CB SER A 89 -4.034 5.718 3.914 1.00 0.00 C ATOM 1399 OG SER A 89 -3.853 5.564 5.311 1.00 0.00 O ATOM 0 H SER A 89 -4.613 3.873 2.381 1.00 0.00 H new ATOM 0 HA SER A 89 -6.039 5.115 4.392 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.356 5.051 3.381 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.776 6.736 3.621 1.00 0.00 H new ATOM 0 HG SER A 89 -2.922 5.761 5.544 1.00 0.00 H new ATOM 1405 N GLN A 90 -6.367 7.656 3.779 1.00 0.00 N ATOM 1406 CA GLN A 90 -6.982 8.906 3.348 1.00 0.00 C ATOM 1407 C GLN A 90 -6.181 10.105 3.840 1.00 0.00 C ATOM 1408 O GLN A 90 -5.787 10.167 5.005 1.00 0.00 O ATOM 1409 CB GLN A 90 -8.421 8.993 3.862 1.00 0.00 C ATOM 1410 CG GLN A 90 -9.415 8.202 3.025 1.00 0.00 C ATOM 1411 CD GLN A 90 -10.290 7.292 3.865 1.00 0.00 C ATOM 1412 OE1 GLN A 90 -11.055 7.754 4.710 1.00 0.00 O ATOM 1413 NE2 GLN A 90 -10.180 5.990 3.633 1.00 0.00 N ATOM 0 H GLN A 90 -6.146 7.616 4.774 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.990 8.921 2.258 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.454 8.630 4.889 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -8.728 10.039 3.884 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.046 8.894 2.467 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.873 7.604 2.292 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -9.532 5.652 2.922 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -10.744 5.328 4.166 1.00 0.00 H new ATOM 1422 N LYS A 91 -5.942 11.058 2.944 1.00 0.00 N ATOM 1423 CA LYS A 91 -5.188 12.259 3.286 1.00 0.00 C ATOM 1424 C LYS A 91 -3.766 11.905 3.712 1.00 0.00 C ATOM 1425 O LYS A 91 -3.560 11.052 4.575 1.00 0.00 O ATOM 1426 CB LYS A 91 -5.891 13.026 4.409 1.00 0.00 C ATOM 1427 CG LYS A 91 -5.016 14.078 5.068 1.00 0.00 C ATOM 1428 CD LYS A 91 -4.233 13.500 6.235 1.00 0.00 C ATOM 1429 CE LYS A 91 -3.774 14.590 7.191 1.00 0.00 C ATOM 1430 NZ LYS A 91 -4.870 15.031 8.096 1.00 0.00 N ATOM 0 H LYS A 91 -6.260 11.022 1.975 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.138 12.891 2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.782 13.507 4.006 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -6.226 12.318 5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.324 14.490 4.333 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -5.637 14.902 5.418 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.853 12.782 6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.367 12.955 5.859 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.938 14.223 7.786 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.409 15.444 6.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.517 15.774 8.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.658 15.405 7.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.202 14.222 8.659 1.00 0.00 H new ATOM 1444 N TYR A 92 -2.789 12.566 3.101 1.00 0.00 N ATOM 1445 CA TYR A 92 -1.387 12.321 3.416 1.00 0.00 C ATOM 1446 C TYR A 92 -0.477 13.214 2.578 1.00 0.00 C ATOM 1447 O TYR A 92 -0.810 13.578 1.450 1.00 0.00 O ATOM 1448 CB TYR A 92 -1.039 10.851 3.176 1.00 0.00 C ATOM 1449 CG TYR A 92 -0.263 10.220 4.311 1.00 0.00 C ATOM 1450 CD1 TYR A 92 -0.758 10.235 5.609 1.00 0.00 C ATOM 1451 CD2 TYR A 92 0.963 9.609 4.085 1.00 0.00 C ATOM 1452 CE1 TYR A 92 -0.053 9.659 6.649 1.00 0.00 C ATOM 1453 CE2 TYR A 92 1.675 9.030 5.118 1.00 0.00 C ATOM 1454 CZ TYR A 92 1.163 9.059 6.399 1.00 0.00 C ATOM 1455 OH TYR A 92 1.868 8.484 7.431 1.00 0.00 O ATOM 0 H TYR A 92 -2.942 13.276 2.385 1.00 0.00 H new ATOM 0 HA TYR A 92 -1.230 12.558 4.468 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -1.960 10.289 3.020 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -0.456 10.769 2.259 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -1.710 10.705 5.809 1.00 0.00 H new ATOM 0 HD2 TYR A 92 1.367 9.586 3.084 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -0.452 9.679 7.652 1.00 0.00 H new ATOM 0 HE2 TYR A 92 2.627 8.558 4.924 1.00 0.00 H new ATOM 0 HH TYR A 92 1.779 7.509 7.384 1.00 0.00 H new ATOM 1465 N LYS A 93 0.677 13.562 3.139 1.00 0.00 N ATOM 1466 CA LYS A 93 1.639 14.411 2.446 1.00 0.00 C ATOM 1467 C LYS A 93 3.041 14.220 3.014 1.00 0.00 C ATOM 1468 O LYS A 93 3.252 13.404 3.912 1.00 0.00 O ATOM 1469 CB LYS A 93 1.227 15.880 2.556 1.00 0.00 C ATOM 1470 CG LYS A 93 0.581 16.429 1.295 1.00 0.00 C ATOM 1471 CD LYS A 93 0.602 17.948 1.274 1.00 0.00 C ATOM 1472 CE LYS A 93 -0.736 18.516 0.825 1.00 0.00 C ATOM 1473 NZ LYS A 93 -0.716 18.915 -0.609 1.00 0.00 N ATOM 0 H LYS A 93 0.968 13.269 4.072 1.00 0.00 H new ATOM 0 HA LYS A 93 1.650 14.122 1.395 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.532 15.992 3.388 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.107 16.478 2.793 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.105 16.045 0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.449 16.077 1.230 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.843 18.324 2.268 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.389 18.293 0.603 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.518 17.773 0.984 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.988 19.381 1.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.646 19.297 -0.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.013 19.642 -0.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.501 18.085 -1.197 1.00 0.00 H new ATOM 1487 N ARG A 94 3.997 14.980 2.488 1.00 0.00 N ATOM 1488 CA ARG A 94 5.379 14.895 2.944 1.00 0.00 C ATOM 1489 C ARG A 94 5.948 13.500 2.698 1.00 0.00 C ATOM 1490 O ARG A 94 6.160 12.731 3.636 1.00 0.00 O ATOM 1491 CB ARG A 94 5.469 15.238 4.432 1.00 0.00 C ATOM 1492 CG ARG A 94 5.683 16.719 4.702 1.00 0.00 C ATOM 1493 CD ARG A 94 7.134 17.019 5.047 1.00 0.00 C ATOM 1494 NE ARG A 94 7.294 18.344 5.639 1.00 0.00 N ATOM 1495 CZ ARG A 94 8.432 19.025 5.618 1.00 0.00 C ATOM 1496 NH1 ARG A 94 9.507 18.510 5.037 1.00 0.00 N ATOM 1497 NH2 ARG A 94 8.500 20.226 6.178 1.00 0.00 N ATOM 0 H ARG A 94 3.839 15.661 1.746 1.00 0.00 H new ATOM 0 HA ARG A 94 5.968 15.615 2.375 1.00 0.00 H new ATOM 0 HB2 ARG A 94 4.553 14.915 4.927 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.288 14.674 4.878 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.390 17.296 3.825 1.00 0.00 H new ATOM 0 HG3 ARG A 94 5.040 17.037 5.522 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.505 16.265 5.741 1.00 0.00 H new ATOM 0 HD3 ARG A 94 7.743 16.949 4.145 1.00 0.00 H new ATOM 0 HE ARG A 94 6.486 18.769 6.094 1.00 0.00 H new ATOM 0 HH11 ARG A 94 9.460 17.587 4.604 1.00 0.00 H new ATOM 0 HH12 ARG A 94 10.381 19.036 5.023 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.676 20.627 6.626 1.00 0.00 H new ATOM 0 HH22 ARG A 94 9.376 20.748 6.161 1.00 0.00 H new ATOM 1511 N ILE A 95 6.190 13.180 1.432 1.00 0.00 N ATOM 1512 CA ILE A 95 6.734 11.879 1.063 1.00 0.00 C ATOM 1513 C ILE A 95 8.069 12.026 0.341 1.00 0.00 C ATOM 1514 O ILE A 95 9.046 11.356 0.677 1.00 0.00 O ATOM 1515 CB ILE A 95 5.760 11.096 0.163 1.00 0.00 C ATOM 1516 CG1 ILE A 95 4.509 10.701 0.951 1.00 0.00 C ATOM 1517 CG2 ILE A 95 6.443 9.864 -0.411 1.00 0.00 C ATOM 1518 CD1 ILE A 95 3.470 9.986 0.116 1.00 0.00 C ATOM 0 H ILE A 95 6.018 13.804 0.644 1.00 0.00 H new ATOM 0 HA ILE A 95 6.884 11.325 1.990 1.00 0.00 H new ATOM 0 HB ILE A 95 5.457 11.738 -0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.801 10.059 1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.063 11.597 1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.742 9.321 -1.045 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.306 10.169 -1.003 1.00 0.00 H new ATOM 0 HG23 ILE A 95 6.772 9.218 0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 95 2.611 9.736 0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.150 10.634 -0.700 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.899 9.072 -0.294 1.00 0.00 H new ATOM 1530 N LYS A 96 8.105 12.908 -0.653 1.00 0.00 N ATOM 1531 CA LYS A 96 9.320 13.147 -1.422 1.00 0.00 C ATOM 1532 C LYS A 96 9.102 14.246 -2.457 1.00 0.00 C ATOM 1533 O LYS A 96 8.490 14.018 -3.499 1.00 0.00 O ATOM 1534 CB LYS A 96 9.768 11.859 -2.117 1.00 0.00 C ATOM 1535 CG LYS A 96 11.204 11.470 -1.808 1.00 0.00 C ATOM 1536 CD LYS A 96 11.814 10.651 -2.934 1.00 0.00 C ATOM 1537 CE LYS A 96 13.199 11.158 -3.304 1.00 0.00 C ATOM 1538 NZ LYS A 96 13.459 11.044 -4.766 1.00 0.00 N ATOM 0 H LYS A 96 7.305 13.470 -0.945 1.00 0.00 H new ATOM 0 HA LYS A 96 10.099 13.472 -0.732 1.00 0.00 H new ATOM 0 HB2 LYS A 96 9.107 11.045 -1.817 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.657 11.980 -3.195 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.799 12.369 -1.647 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.235 10.897 -0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.877 9.605 -2.632 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.165 10.692 -3.808 1.00 0.00 H new ATOM 0 HE2 LYS A 96 13.298 12.199 -2.998 1.00 0.00 H new ATOM 0 HE3 LYS A 96 13.952 10.591 -2.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.413 11.400 -4.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 13.389 10.047 -5.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.756 11.605 -5.288 1.00 0.00 H new ATOM 1552 N SER A 97 9.608 15.440 -2.160 1.00 0.00 N ATOM 1553 CA SER A 97 9.467 16.575 -3.063 1.00 0.00 C ATOM 1554 C SER A 97 10.702 17.467 -3.012 1.00 0.00 C ATOM 1555 O SER A 97 11.501 17.389 -2.078 1.00 0.00 O ATOM 1556 CB SER A 97 8.222 17.388 -2.703 1.00 0.00 C ATOM 1557 OG SER A 97 8.380 18.038 -1.454 1.00 0.00 O ATOM 0 H SER A 97 10.119 15.645 -1.301 1.00 0.00 H new ATOM 0 HA SER A 97 9.361 16.190 -4.077 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.030 18.128 -3.480 1.00 0.00 H new ATOM 0 HB3 SER A 97 7.353 16.731 -2.667 1.00 0.00 H new ATOM 0 HG SER A 97 7.571 18.552 -1.248 1.00 0.00 H new ATOM 1563 N GLY A 98 10.855 18.316 -4.023 1.00 0.00 N ATOM 1564 CA GLY A 98 11.996 19.211 -4.075 1.00 0.00 C ATOM 1565 C GLY A 98 13.317 18.471 -4.022 1.00 0.00 C ATOM 1566 O GLY A 98 13.401 17.285 -4.341 1.00 0.00 O ATOM 0 H GLY A 98 10.209 18.400 -4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.950 19.800 -4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.942 19.912 -3.242 1.00 0.00 H new ATOM 1570 N PRO A 99 14.381 19.177 -3.611 1.00 0.00 N ATOM 1571 CA PRO A 99 15.724 18.599 -3.508 1.00 0.00 C ATOM 1572 C PRO A 99 15.834 17.589 -2.372 1.00 0.00 C ATOM 1573 O PRO A 99 16.907 17.042 -2.117 1.00 0.00 O ATOM 1574 CB PRO A 99 16.612 19.815 -3.231 1.00 0.00 C ATOM 1575 CG PRO A 99 15.705 20.810 -2.593 1.00 0.00 C ATOM 1576 CD PRO A 99 14.353 20.596 -3.215 1.00 0.00 C ATOM 0 HA PRO A 99 16.001 18.047 -4.406 1.00 0.00 H new ATOM 0 HB2 PRO A 99 17.442 19.557 -2.573 1.00 0.00 H new ATOM 0 HB3 PRO A 99 17.045 20.207 -4.151 1.00 0.00 H new ATOM 0 HG2 PRO A 99 15.665 20.666 -1.513 1.00 0.00 H new ATOM 0 HG3 PRO A 99 16.058 21.827 -2.766 1.00 0.00 H new ATOM 0 HD2 PRO A 99 13.549 20.800 -2.508 1.00 0.00 H new ATOM 0 HD3 PRO A 99 14.197 21.250 -4.073 1.00 0.00 H new ATOM 1584 N SER A 100 14.718 17.344 -1.693 1.00 0.00 N ATOM 1585 CA SER A 100 14.691 16.399 -0.582 1.00 0.00 C ATOM 1586 C SER A 100 15.501 16.927 0.598 1.00 0.00 C ATOM 1587 O SER A 100 16.668 16.576 0.771 1.00 0.00 O ATOM 1588 CB SER A 100 15.237 15.042 -1.025 1.00 0.00 C ATOM 1589 OG SER A 100 14.694 13.993 -0.242 1.00 0.00 O ATOM 0 H SER A 100 13.821 17.786 -1.892 1.00 0.00 H new ATOM 0 HA SER A 100 13.655 16.278 -0.265 1.00 0.00 H new ATOM 0 HB2 SER A 100 14.999 14.876 -2.076 1.00 0.00 H new ATOM 0 HB3 SER A 100 16.324 15.038 -0.940 1.00 0.00 H new ATOM 0 HG SER A 100 15.058 13.135 -0.547 1.00 0.00 H new ATOM 1595 N SER A 101 14.873 17.773 1.409 1.00 0.00 N ATOM 1596 CA SER A 101 15.536 18.352 2.571 1.00 0.00 C ATOM 1597 C SER A 101 14.703 18.142 3.833 1.00 0.00 C ATOM 1598 O SER A 101 13.602 18.677 3.959 1.00 0.00 O ATOM 1599 CB SER A 101 15.782 19.846 2.352 1.00 0.00 C ATOM 1600 OG SER A 101 16.765 20.337 3.247 1.00 0.00 O ATOM 0 H SER A 101 13.906 18.072 1.282 1.00 0.00 H new ATOM 0 HA SER A 101 16.494 17.848 2.701 1.00 0.00 H new ATOM 0 HB2 SER A 101 16.102 20.018 1.325 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.851 20.396 2.492 1.00 0.00 H new ATOM 0 HG SER A 101 16.906 21.293 3.086 1.00 0.00 H new ATOM 1606 N GLY A 102 15.237 17.358 4.764 1.00 0.00 N ATOM 1607 CA GLY A 102 14.532 17.089 6.002 1.00 0.00 C ATOM 1608 C GLY A 102 15.299 17.561 7.222 1.00 0.00 C ATOM 1609 O GLY A 102 14.734 17.696 8.306 1.00 0.00 O ATOM 0 H GLY A 102 16.147 16.904 4.682 1.00 0.00 H new ATOM 0 HA2 GLY A 102 13.559 17.580 5.976 1.00 0.00 H new ATOM 0 HA3 GLY A 102 14.347 16.018 6.085 1.00 0.00 H new TER 1613 GLY A 102