USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 565 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 21 GLN : amide:sc= -1.25 X(o=-1.1,f=-1.6) USER MOD Set 1.2: A 74 LYS NZ :NH3+ 176:sc= 0.104 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= -0.0104 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 150:sc= -2.11! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.19) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= -3.31 K(o=-3.3,f=-0.93) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.424) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -178:sc= 0 (180deg=-0.00829) USER MOD Single : A 53 SER OG : rot 180:sc= -0.188 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -6.67! C(o=-6.7!,f=-21!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.275 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0836 X(o=-0.084,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 -10.251 5.499 5.669 1.00 0.00 N ATOM 49 CA SER A 6 -9.117 6.323 5.288 1.00 0.00 C ATOM 50 C SER A 6 -9.315 6.862 3.870 1.00 0.00 C ATOM 51 O SER A 6 -9.108 8.048 3.618 1.00 0.00 O ATOM 52 CB SER A 6 -7.808 5.536 5.378 1.00 0.00 C ATOM 53 OG SER A 6 -7.820 4.383 4.540 1.00 0.00 O ATOM 0 HA SER A 6 -9.054 7.160 5.983 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.977 6.181 5.095 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.638 5.232 6.411 1.00 0.00 H new ATOM 0 HG SER A 6 -6.967 3.908 4.624 1.00 0.00 H new ATOM 59 N GLY A 7 -9.715 5.965 2.980 1.00 0.00 N ATOM 60 CA GLY A 7 -9.944 6.336 1.594 1.00 0.00 C ATOM 61 C GLY A 7 -10.771 7.620 1.500 1.00 0.00 C ATOM 62 O GLY A 7 -10.708 8.330 0.497 1.00 0.00 O ATOM 0 H GLY A 7 -9.886 4.982 3.192 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.988 6.477 1.089 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.461 5.527 1.078 1.00 0.00 H new ATOM 66 N ALA A 8 -11.526 7.879 2.557 1.00 0.00 N ATOM 67 CA ALA A 8 -12.365 9.064 2.605 1.00 0.00 C ATOM 68 C ALA A 8 -11.532 10.253 3.091 1.00 0.00 C ATOM 69 O ALA A 8 -11.714 11.375 2.622 1.00 0.00 O ATOM 70 CB ALA A 8 -13.576 8.797 3.501 1.00 0.00 C ATOM 0 H ALA A 8 -11.574 7.288 3.387 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.742 9.308 1.612 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.205 9.686 3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.150 7.962 3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.237 8.552 4.507 1.00 0.00 H new ATOM 76 N SER A 9 -10.637 9.965 4.024 1.00 0.00 N ATOM 77 CA SER A 9 -9.776 10.996 4.578 1.00 0.00 C ATOM 78 C SER A 9 -8.692 11.373 3.566 1.00 0.00 C ATOM 79 O SER A 9 -8.436 12.553 3.335 1.00 0.00 O ATOM 80 CB SER A 9 -9.139 10.535 5.891 1.00 0.00 C ATOM 81 OG SER A 9 -10.034 9.746 6.670 1.00 0.00 O ATOM 0 H SER A 9 -10.489 9.033 4.410 1.00 0.00 H new ATOM 0 HA SER A 9 -10.387 11.874 4.790 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.240 9.957 5.675 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.827 11.406 6.468 1.00 0.00 H new ATOM 0 HG SER A 9 -9.590 9.470 7.499 1.00 0.00 H new ATOM 87 N LEU A 10 -8.085 10.346 2.988 1.00 0.00 N ATOM 88 CA LEU A 10 -7.034 10.555 2.006 1.00 0.00 C ATOM 89 C LEU A 10 -7.477 11.631 1.013 1.00 0.00 C ATOM 90 O LEU A 10 -6.643 12.312 0.418 1.00 0.00 O ATOM 91 CB LEU A 10 -6.648 9.230 1.345 1.00 0.00 C ATOM 92 CG LEU A 10 -5.707 8.329 2.148 1.00 0.00 C ATOM 93 CD1 LEU A 10 -5.988 8.440 3.648 1.00 0.00 C ATOM 94 CD2 LEU A 10 -5.781 6.882 1.656 1.00 0.00 C ATOM 0 H LEU A 10 -8.301 9.368 3.181 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.128 10.920 2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.561 8.673 1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.179 9.448 0.386 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.685 8.672 1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.305 7.790 4.195 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.843 9.471 3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.016 8.138 3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.103 6.263 2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.800 6.511 1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.493 6.840 0.606 1.00 0.00 H new ATOM 106 N LEU A 11 -8.788 11.751 0.864 1.00 0.00 N ATOM 107 CA LEU A 11 -9.351 12.733 -0.047 1.00 0.00 C ATOM 108 C LEU A 11 -9.180 14.132 0.549 1.00 0.00 C ATOM 109 O LEU A 11 -8.815 15.070 -0.158 1.00 0.00 O ATOM 110 CB LEU A 11 -10.802 12.381 -0.383 1.00 0.00 C ATOM 111 CG LEU A 11 -11.036 10.988 -0.971 1.00 0.00 C ATOM 112 CD1 LEU A 11 -12.423 10.461 -0.598 1.00 0.00 C ATOM 113 CD2 LEU A 11 -10.811 10.988 -2.485 1.00 0.00 C ATOM 0 H LEU A 11 -9.477 11.184 1.359 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.816 12.723 -0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.397 12.475 0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.180 13.120 -1.090 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.305 10.306 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.563 9.470 -1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.510 10.401 0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.185 11.136 -0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.984 9.986 -2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.503 11.687 -2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.786 11.291 -2.701 1.00 0.00 H new ATOM 125 N ALA A 12 -9.450 14.227 1.842 1.00 0.00 N ATOM 126 CA ALA A 12 -9.330 15.495 2.540 1.00 0.00 C ATOM 127 C ALA A 12 -7.864 15.736 2.904 1.00 0.00 C ATOM 128 O ALA A 12 -7.323 16.809 2.641 1.00 0.00 O ATOM 129 CB ALA A 12 -10.242 15.491 3.769 1.00 0.00 C ATOM 0 H ALA A 12 -9.752 13.446 2.425 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.650 16.316 1.899 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.151 16.443 4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.276 15.347 3.455 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.949 14.681 4.437 1.00 0.00 H new ATOM 135 N ARG A 13 -7.262 14.719 3.503 1.00 0.00 N ATOM 136 CA ARG A 13 -5.868 14.806 3.906 1.00 0.00 C ATOM 137 C ARG A 13 -4.996 15.212 2.716 1.00 0.00 C ATOM 138 O ARG A 13 -4.275 16.205 2.780 1.00 0.00 O ATOM 139 CB ARG A 13 -5.371 13.470 4.462 1.00 0.00 C ATOM 140 CG ARG A 13 -5.142 13.556 5.972 1.00 0.00 C ATOM 141 CD ARG A 13 -4.319 12.366 6.470 1.00 0.00 C ATOM 142 NE ARG A 13 -3.501 12.769 7.636 1.00 0.00 N ATOM 143 CZ ARG A 13 -3.983 12.913 8.878 1.00 0.00 C ATOM 144 NH1 ARG A 13 -5.281 12.688 9.123 1.00 0.00 N ATOM 145 NH2 ARG A 13 -3.167 13.282 9.875 1.00 0.00 N ATOM 0 H ARG A 13 -7.714 13.830 3.719 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.795 15.561 4.688 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.099 12.688 4.245 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.443 13.188 3.965 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.626 14.486 6.213 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.102 13.581 6.488 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.981 11.545 6.746 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.674 12.000 5.672 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.508 12.948 7.485 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.902 12.407 8.364 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.648 12.798 10.068 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.179 13.453 9.688 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.534 13.392 10.820 1.00 0.00 H new ATOM 159 N TYR A 14 -5.092 14.421 1.656 1.00 0.00 N ATOM 160 CA TYR A 14 -4.321 14.686 0.454 1.00 0.00 C ATOM 161 C TYR A 14 -5.219 15.205 -0.671 1.00 0.00 C ATOM 162 O TYR A 14 -6.413 14.911 -0.702 1.00 0.00 O ATOM 163 CB TYR A 14 -3.722 13.342 0.032 1.00 0.00 C ATOM 164 CG TYR A 14 -2.781 12.727 1.070 1.00 0.00 C ATOM 165 CD1 TYR A 14 -1.438 13.043 1.056 1.00 0.00 C ATOM 166 CD2 TYR A 14 -3.276 11.857 2.020 1.00 0.00 C ATOM 167 CE1 TYR A 14 -0.552 12.464 2.033 1.00 0.00 C ATOM 168 CE2 TYR A 14 -2.390 11.279 2.997 1.00 0.00 C ATOM 169 CZ TYR A 14 -1.072 11.611 2.955 1.00 0.00 C ATOM 170 OH TYR A 14 -0.235 11.064 3.878 1.00 0.00 O ATOM 0 H TYR A 14 -5.692 13.597 1.606 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.560 15.442 0.646 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.533 12.642 -0.169 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.178 13.476 -0.903 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.051 13.724 0.313 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.327 11.610 2.031 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.501 12.702 2.033 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.764 10.597 3.746 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.729 10.892 4.707 1.00 0.00 H new ATOM 180 N PRO A 15 -4.595 15.989 -1.590 1.00 0.00 N ATOM 181 CA PRO A 15 -5.325 16.552 -2.713 1.00 0.00 C ATOM 182 C PRO A 15 -5.615 15.484 -3.770 1.00 0.00 C ATOM 183 O PRO A 15 -5.121 14.362 -3.674 1.00 0.00 O ATOM 184 CB PRO A 15 -4.443 17.677 -3.231 1.00 0.00 C ATOM 185 CG PRO A 15 -3.053 17.404 -2.681 1.00 0.00 C ATOM 186 CD PRO A 15 -3.182 16.359 -1.584 1.00 0.00 C ATOM 0 HA PRO A 15 -6.306 16.932 -2.429 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.435 17.697 -4.321 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.811 18.647 -2.898 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.393 17.048 -3.472 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.612 18.319 -2.286 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.546 15.496 -1.782 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.882 16.761 -0.616 1.00 0.00 H new ATOM 194 N PRO A 16 -6.435 15.882 -4.778 1.00 0.00 N ATOM 195 CA PRO A 16 -6.797 14.971 -5.852 1.00 0.00 C ATOM 196 C PRO A 16 -5.632 14.784 -6.827 1.00 0.00 C ATOM 197 O PRO A 16 -5.529 13.749 -7.484 1.00 0.00 O ATOM 198 CB PRO A 16 -8.020 15.596 -6.502 1.00 0.00 C ATOM 199 CG PRO A 16 -8.022 17.054 -6.074 1.00 0.00 C ATOM 200 CD PRO A 16 -7.039 17.203 -4.924 1.00 0.00 C ATOM 0 HA PRO A 16 -7.022 13.966 -5.494 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.973 15.508 -7.587 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.932 15.094 -6.181 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.736 17.697 -6.907 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.021 17.360 -5.764 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.286 17.960 -5.142 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.544 17.511 -4.009 1.00 0.00 H new ATOM 208 N GLU A 17 -4.785 15.800 -6.889 1.00 0.00 N ATOM 209 CA GLU A 17 -3.632 15.760 -7.772 1.00 0.00 C ATOM 210 C GLU A 17 -2.538 14.870 -7.178 1.00 0.00 C ATOM 211 O GLU A 17 -1.503 14.651 -7.804 1.00 0.00 O ATOM 212 CB GLU A 17 -3.103 17.169 -8.048 1.00 0.00 C ATOM 213 CG GLU A 17 -2.954 17.962 -6.749 1.00 0.00 C ATOM 214 CD GLU A 17 -1.984 19.132 -6.929 1.00 0.00 C ATOM 215 OE1 GLU A 17 -0.785 18.848 -7.142 1.00 0.00 O ATOM 216 OE2 GLU A 17 -2.463 20.284 -6.850 1.00 0.00 O ATOM 0 H GLU A 17 -4.874 16.656 -6.342 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.944 15.332 -8.725 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.139 17.107 -8.553 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.783 17.691 -8.721 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.928 18.337 -6.434 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.594 17.305 -5.957 1.00 0.00 H new ATOM 223 N LYS A 18 -2.805 14.383 -5.975 1.00 0.00 N ATOM 224 CA LYS A 18 -1.857 13.522 -5.289 1.00 0.00 C ATOM 225 C LYS A 18 -2.579 12.266 -4.795 1.00 0.00 C ATOM 226 O LYS A 18 -2.025 11.495 -4.013 1.00 0.00 O ATOM 227 CB LYS A 18 -1.138 14.294 -4.180 1.00 0.00 C ATOM 228 CG LYS A 18 -0.466 15.551 -4.735 1.00 0.00 C ATOM 229 CD LYS A 18 0.610 16.066 -3.777 1.00 0.00 C ATOM 230 CE LYS A 18 1.485 17.124 -4.452 1.00 0.00 C ATOM 231 NZ LYS A 18 2.792 16.546 -4.838 1.00 0.00 N ATOM 0 H LYS A 18 -3.664 14.568 -5.458 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.077 13.192 -5.975 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.851 14.571 -3.404 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.390 13.654 -3.712 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.019 15.331 -5.705 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.215 16.326 -4.897 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.139 16.490 -2.890 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.231 15.235 -3.442 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.978 17.514 -5.335 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.638 17.964 -3.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.374 17.277 -5.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.280 16.195 -3.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.641 15.759 -5.501 1.00 0.00 H new ATOM 245 N LEU A 19 -3.803 12.100 -5.273 1.00 0.00 N ATOM 246 CA LEU A 19 -4.606 10.951 -4.890 1.00 0.00 C ATOM 247 C LEU A 19 -4.403 9.829 -5.910 1.00 0.00 C ATOM 248 O LEU A 19 -4.738 9.984 -7.083 1.00 0.00 O ATOM 249 CB LEU A 19 -6.070 11.358 -4.707 1.00 0.00 C ATOM 250 CG LEU A 19 -6.487 11.739 -3.285 1.00 0.00 C ATOM 251 CD1 LEU A 19 -7.844 12.446 -3.283 1.00 0.00 C ATOM 252 CD2 LEU A 19 -6.477 10.517 -2.364 1.00 0.00 C ATOM 0 H LEU A 19 -4.258 12.742 -5.922 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.282 10.566 -3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.276 12.203 -5.364 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.700 10.534 -5.041 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.755 12.444 -2.892 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.117 12.706 -2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.782 13.353 -3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.600 11.783 -3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.777 10.816 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.174 9.770 -2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.473 10.094 -2.332 1.00 0.00 H new ATOM 264 N PHE A 20 -3.854 8.725 -5.426 1.00 0.00 N ATOM 265 CA PHE A 20 -3.601 7.578 -6.281 1.00 0.00 C ATOM 266 C PHE A 20 -4.030 6.279 -5.596 1.00 0.00 C ATOM 267 O PHE A 20 -3.884 6.135 -4.383 1.00 0.00 O ATOM 268 CB PHE A 20 -2.094 7.533 -6.536 1.00 0.00 C ATOM 269 CG PHE A 20 -1.618 8.492 -7.629 1.00 0.00 C ATOM 270 CD1 PHE A 20 -1.562 9.829 -7.383 1.00 0.00 C ATOM 271 CD2 PHE A 20 -1.252 8.009 -8.846 1.00 0.00 C ATOM 272 CE1 PHE A 20 -1.121 10.719 -8.397 1.00 0.00 C ATOM 273 CE2 PHE A 20 -0.811 8.899 -9.860 1.00 0.00 C ATOM 274 CZ PHE A 20 -0.755 10.236 -9.614 1.00 0.00 C ATOM 0 H PHE A 20 -3.577 8.600 -4.452 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.167 7.673 -7.208 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.572 7.768 -5.608 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.813 6.517 -6.811 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.853 10.213 -6.416 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.297 6.948 -9.041 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.076 11.780 -8.202 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.520 8.515 -10.827 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.420 10.913 -10.385 1.00 0.00 H new ATOM 284 N GLN A 21 -4.550 5.365 -6.403 1.00 0.00 N ATOM 285 CA GLN A 21 -5.001 4.083 -5.889 1.00 0.00 C ATOM 286 C GLN A 21 -3.999 2.985 -6.252 1.00 0.00 C ATOM 287 O GLN A 21 -3.082 3.211 -7.039 1.00 0.00 O ATOM 288 CB GLN A 21 -6.399 3.744 -6.411 1.00 0.00 C ATOM 289 CG GLN A 21 -7.193 2.949 -5.374 1.00 0.00 C ATOM 290 CD GLN A 21 -8.699 3.099 -5.603 1.00 0.00 C ATOM 291 OE1 GLN A 21 -9.185 3.103 -6.722 1.00 0.00 O ATOM 292 NE2 GLN A 21 -9.407 3.222 -4.484 1.00 0.00 N ATOM 0 H GLN A 21 -4.669 5.487 -7.409 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.061 4.149 -4.803 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.932 4.663 -6.656 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.317 3.167 -7.332 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.916 1.896 -5.428 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.938 3.295 -4.372 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.937 3.211 -3.579 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.420 3.328 -4.531 1.00 0.00 H new ATOM 301 N ALA A 22 -4.208 1.818 -5.659 1.00 0.00 N ATOM 302 CA ALA A 22 -3.335 0.684 -5.909 1.00 0.00 C ATOM 303 C ALA A 22 -3.780 -0.023 -7.191 1.00 0.00 C ATOM 304 O ALA A 22 -4.894 -0.539 -7.265 1.00 0.00 O ATOM 305 CB ALA A 22 -3.346 -0.247 -4.695 1.00 0.00 C ATOM 0 H ALA A 22 -4.970 1.634 -5.006 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.307 1.016 -6.055 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.691 -1.098 -4.883 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.994 0.295 -3.817 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.361 -0.603 -4.519 1.00 0.00 H new ATOM 311 N GLU A 23 -2.885 -0.025 -8.168 1.00 0.00 N ATOM 312 CA GLU A 23 -3.171 -0.661 -9.443 1.00 0.00 C ATOM 313 C GLU A 23 -3.460 -2.150 -9.241 1.00 0.00 C ATOM 314 O GLU A 23 -4.383 -2.695 -9.845 1.00 0.00 O ATOM 315 CB GLU A 23 -2.020 -0.455 -10.429 1.00 0.00 C ATOM 316 CG GLU A 23 -1.896 1.017 -10.827 1.00 0.00 C ATOM 317 CD GLU A 23 -2.136 1.202 -12.327 1.00 0.00 C ATOM 318 OE1 GLU A 23 -3.005 0.475 -12.856 1.00 0.00 O ATOM 319 OE2 GLU A 23 -1.446 2.065 -12.910 1.00 0.00 O ATOM 0 H GLU A 23 -1.962 0.403 -8.102 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.059 -0.193 -9.869 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.086 -0.794 -9.980 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.185 -1.063 -11.318 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.616 1.611 -10.264 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.904 1.386 -10.566 1.00 0.00 H new ATOM 326 N ARG A 24 -2.655 -2.766 -8.388 1.00 0.00 N ATOM 327 CA ARG A 24 -2.812 -4.181 -8.098 1.00 0.00 C ATOM 328 C ARG A 24 -2.423 -4.472 -6.648 1.00 0.00 C ATOM 329 O ARG A 24 -1.873 -3.611 -5.964 1.00 0.00 O ATOM 330 CB ARG A 24 -1.950 -5.033 -9.031 1.00 0.00 C ATOM 331 CG ARG A 24 -0.596 -4.368 -9.287 1.00 0.00 C ATOM 332 CD ARG A 24 0.447 -5.398 -9.725 1.00 0.00 C ATOM 333 NE ARG A 24 1.390 -4.786 -10.688 1.00 0.00 N ATOM 334 CZ ARG A 24 1.082 -4.495 -11.959 1.00 0.00 C ATOM 335 NH1 ARG A 24 -0.145 -4.759 -12.429 1.00 0.00 N ATOM 336 NH2 ARG A 24 2.001 -3.940 -12.761 1.00 0.00 N ATOM 0 H ARG A 24 -1.891 -2.311 -7.888 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.860 -4.437 -8.255 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.798 -6.019 -8.592 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.470 -5.183 -9.977 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.702 -3.603 -10.056 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.257 -3.865 -8.382 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.991 -5.769 -8.856 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.047 -6.256 -10.182 1.00 0.00 H new ATOM 0 HE ARG A 24 2.333 -4.572 -10.364 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.845 -5.182 -11.819 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.379 -4.537 -13.397 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.935 -3.739 -12.404 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.766 -3.719 -13.729 1.00 0.00 H new ATOM 350 N ASN A 25 -2.725 -5.690 -6.221 1.00 0.00 N ATOM 351 CA ASN A 25 -2.414 -6.105 -4.863 1.00 0.00 C ATOM 352 C ASN A 25 -0.900 -6.054 -4.653 1.00 0.00 C ATOM 353 O ASN A 25 -0.187 -6.989 -5.015 1.00 0.00 O ATOM 354 CB ASN A 25 -2.879 -7.540 -4.607 1.00 0.00 C ATOM 355 CG ASN A 25 -4.357 -7.710 -4.961 1.00 0.00 C ATOM 356 OD1 ASN A 25 -4.717 -8.258 -5.990 1.00 0.00 O ATOM 357 ND2 ASN A 25 -5.192 -7.211 -4.054 1.00 0.00 N ATOM 0 H ASN A 25 -3.181 -6.402 -6.791 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.928 -5.431 -4.178 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.278 -8.231 -5.198 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.721 -7.796 -3.559 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.200 -7.275 -4.199 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.825 -6.765 -3.214 1.00 0.00 H new ATOM 364 N PHE A 26 -0.453 -4.952 -4.069 1.00 0.00 N ATOM 365 CA PHE A 26 0.964 -4.766 -3.807 1.00 0.00 C ATOM 366 C PHE A 26 1.389 -5.512 -2.540 1.00 0.00 C ATOM 367 O PHE A 26 0.663 -5.520 -1.547 1.00 0.00 O ATOM 368 CB PHE A 26 1.188 -3.267 -3.601 1.00 0.00 C ATOM 369 CG PHE A 26 2.646 -2.886 -3.336 1.00 0.00 C ATOM 370 CD1 PHE A 26 3.208 -3.147 -2.125 1.00 0.00 C ATOM 371 CD2 PHE A 26 3.381 -2.286 -4.311 1.00 0.00 C ATOM 372 CE1 PHE A 26 4.561 -2.794 -1.879 1.00 0.00 C ATOM 373 CE2 PHE A 26 4.734 -1.933 -4.065 1.00 0.00 C ATOM 374 CZ PHE A 26 5.295 -2.194 -2.854 1.00 0.00 C ATOM 0 H PHE A 26 -1.047 -4.179 -3.770 1.00 0.00 H new ATOM 0 HA PHE A 26 1.551 -5.154 -4.640 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.839 -2.733 -4.485 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.577 -2.931 -2.763 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.625 -3.623 -1.350 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.935 -2.078 -5.272 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.007 -3.002 -0.918 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.318 -1.457 -4.839 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.324 -1.925 -2.666 1.00 0.00 H new ATOM 384 N ASN A 27 2.564 -6.120 -2.616 1.00 0.00 N ATOM 385 CA ASN A 27 3.095 -6.866 -1.488 1.00 0.00 C ATOM 386 C ASN A 27 4.397 -6.215 -1.018 1.00 0.00 C ATOM 387 O ASN A 27 5.308 -5.996 -1.816 1.00 0.00 O ATOM 388 CB ASN A 27 3.403 -8.312 -1.880 1.00 0.00 C ATOM 389 CG ASN A 27 2.720 -9.297 -0.929 1.00 0.00 C ATOM 390 OD1 ASN A 27 1.629 -9.784 -1.177 1.00 0.00 O ATOM 391 ND2 ASN A 27 3.420 -9.560 0.171 1.00 0.00 N ATOM 0 H ASN A 27 3.163 -6.111 -3.441 1.00 0.00 H new ATOM 0 HA ASN A 27 2.345 -6.859 -0.697 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.067 -8.495 -2.901 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.481 -8.475 -1.865 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.049 -10.204 0.870 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.327 -9.117 0.316 1.00 0.00 H new ATOM 398 N ALA A 28 4.445 -5.925 0.273 1.00 0.00 N ATOM 399 CA ALA A 28 5.621 -5.304 0.858 1.00 0.00 C ATOM 400 C ALA A 28 6.847 -6.172 0.571 1.00 0.00 C ATOM 401 O ALA A 28 6.844 -7.370 0.851 1.00 0.00 O ATOM 402 CB ALA A 28 5.395 -5.092 2.357 1.00 0.00 C ATOM 0 H ALA A 28 3.688 -6.109 0.931 1.00 0.00 H new ATOM 0 HA ALA A 28 5.799 -4.325 0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.277 -4.626 2.796 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.531 -4.445 2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.216 -6.054 2.838 1.00 0.00 H new ATOM 408 N ALA A 29 7.867 -5.535 0.015 1.00 0.00 N ATOM 409 CA ALA A 29 9.097 -6.234 -0.313 1.00 0.00 C ATOM 410 C ALA A 29 10.192 -5.821 0.672 1.00 0.00 C ATOM 411 O ALA A 29 10.914 -6.669 1.195 1.00 0.00 O ATOM 412 CB ALA A 29 9.479 -5.941 -1.766 1.00 0.00 C ATOM 0 H ALA A 29 7.866 -4.542 -0.217 1.00 0.00 H new ATOM 0 HA ALA A 29 8.962 -7.312 -0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.402 -6.466 -2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.682 -6.280 -2.427 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.626 -4.869 -1.894 1.00 0.00 H new ATOM 418 N GLN A 30 10.282 -4.519 0.896 1.00 0.00 N ATOM 419 CA GLN A 30 11.277 -3.983 1.809 1.00 0.00 C ATOM 420 C GLN A 30 10.627 -3.614 3.145 1.00 0.00 C ATOM 421 O GLN A 30 9.429 -3.819 3.334 1.00 0.00 O ATOM 422 CB GLN A 30 11.992 -2.777 1.196 1.00 0.00 C ATOM 423 CG GLN A 30 12.876 -3.203 0.022 1.00 0.00 C ATOM 424 CD GLN A 30 12.669 -2.282 -1.182 1.00 0.00 C ATOM 425 OE1 GLN A 30 13.603 -1.738 -1.748 1.00 0.00 O ATOM 426 NE2 GLN A 30 11.396 -2.138 -1.541 1.00 0.00 N ATOM 0 H GLN A 30 9.682 -3.819 0.461 1.00 0.00 H new ATOM 0 HA GLN A 30 12.026 -4.753 1.991 1.00 0.00 H new ATOM 0 HB2 GLN A 30 11.257 -2.048 0.856 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.601 -2.286 1.955 1.00 0.00 H new ATOM 0 HG2 GLN A 30 13.923 -3.183 0.324 1.00 0.00 H new ATOM 0 HG3 GLN A 30 12.645 -4.231 -0.258 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.662 -2.622 -1.024 1.00 0.00 H new ATOM 0 HE22 GLN A 30 11.154 -1.543 -2.334 1.00 0.00 H new ATOM 435 N ASP A 31 11.447 -3.077 4.036 1.00 0.00 N ATOM 436 CA ASP A 31 10.967 -2.677 5.349 1.00 0.00 C ATOM 437 C ASP A 31 10.242 -1.335 5.235 1.00 0.00 C ATOM 438 O ASP A 31 9.527 -0.932 6.151 1.00 0.00 O ATOM 439 CB ASP A 31 12.128 -2.506 6.331 1.00 0.00 C ATOM 440 CG ASP A 31 12.500 -3.764 7.118 1.00 0.00 C ATOM 441 OD1 ASP A 31 11.567 -4.536 7.428 1.00 0.00 O ATOM 442 OD2 ASP A 31 13.709 -3.925 7.391 1.00 0.00 O ATOM 0 H ASP A 31 12.440 -2.909 3.875 1.00 0.00 H new ATOM 0 HA ASP A 31 10.297 -3.455 5.715 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.005 -2.169 5.778 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.873 -1.716 7.037 1.00 0.00 H new ATOM 447 N LEU A 32 10.451 -0.679 4.103 1.00 0.00 N ATOM 448 CA LEU A 32 9.826 0.609 3.858 1.00 0.00 C ATOM 449 C LEU A 32 8.509 0.398 3.108 1.00 0.00 C ATOM 450 O LEU A 32 7.613 1.238 3.173 1.00 0.00 O ATOM 451 CB LEU A 32 10.798 1.548 3.140 1.00 0.00 C ATOM 452 CG LEU A 32 11.979 2.054 3.971 1.00 0.00 C ATOM 453 CD1 LEU A 32 12.838 3.031 3.165 1.00 0.00 C ATOM 454 CD2 LEU A 32 11.500 2.664 5.290 1.00 0.00 C ATOM 0 H LEU A 32 11.045 -1.016 3.345 1.00 0.00 H new ATOM 0 HA LEU A 32 9.582 1.099 4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.191 1.032 2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.238 2.410 2.778 1.00 0.00 H new ATOM 0 HG LEU A 32 12.611 1.202 4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.670 3.375 3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.225 2.529 2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.232 3.885 2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.359 3.016 5.861 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.834 3.502 5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.965 1.910 5.867 1.00 0.00 H new ATOM 466 N ASP A 33 8.433 -0.729 2.415 1.00 0.00 N ATOM 467 CA ASP A 33 7.241 -1.061 1.655 1.00 0.00 C ATOM 468 C ASP A 33 6.135 -1.504 2.616 1.00 0.00 C ATOM 469 O ASP A 33 6.416 -1.942 3.730 1.00 0.00 O ATOM 470 CB ASP A 33 7.510 -2.211 0.682 1.00 0.00 C ATOM 471 CG ASP A 33 8.506 -1.892 -0.435 1.00 0.00 C ATOM 472 OD1 ASP A 33 9.486 -1.177 -0.135 1.00 0.00 O ATOM 473 OD2 ASP A 33 8.264 -2.372 -1.564 1.00 0.00 O ATOM 0 H ASP A 33 9.178 -1.424 2.364 1.00 0.00 H new ATOM 0 HA ASP A 33 6.942 -0.176 1.093 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.882 -3.066 1.247 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.565 -2.514 0.231 1.00 0.00 H new ATOM 478 N VAL A 34 4.902 -1.373 2.149 1.00 0.00 N ATOM 479 CA VAL A 34 3.754 -1.755 2.952 1.00 0.00 C ATOM 480 C VAL A 34 2.673 -2.344 2.043 1.00 0.00 C ATOM 481 O VAL A 34 2.298 -1.734 1.044 1.00 0.00 O ATOM 482 CB VAL A 34 3.262 -0.555 3.765 1.00 0.00 C ATOM 483 CG1 VAL A 34 4.432 0.330 4.199 1.00 0.00 C ATOM 484 CG2 VAL A 34 2.226 0.252 2.979 1.00 0.00 C ATOM 0 H VAL A 34 4.673 -1.008 1.225 1.00 0.00 H new ATOM 0 HA VAL A 34 4.031 -2.527 3.670 1.00 0.00 H new ATOM 0 HB VAL A 34 2.778 -0.935 4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.055 1.175 4.775 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.119 -0.251 4.815 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.957 0.697 3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.893 1.099 3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.674 0.616 2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.373 -0.384 2.743 1.00 0.00 H new ATOM 494 N SER A 35 2.205 -3.524 2.423 1.00 0.00 N ATOM 495 CA SER A 35 1.175 -4.203 1.655 1.00 0.00 C ATOM 496 C SER A 35 0.024 -3.240 1.357 1.00 0.00 C ATOM 497 O SER A 35 -0.289 -2.371 2.170 1.00 0.00 O ATOM 498 CB SER A 35 0.657 -5.437 2.396 1.00 0.00 C ATOM 499 OG SER A 35 0.221 -5.122 3.716 1.00 0.00 O ATOM 0 H SER A 35 2.520 -4.027 3.252 1.00 0.00 H new ATOM 0 HA SER A 35 1.614 -4.536 0.715 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.169 -5.876 1.836 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.445 -6.189 2.444 1.00 0.00 H new ATOM 0 HG SER A 35 -0.104 -5.935 4.156 1.00 0.00 H new ATOM 505 N LEU A 36 -0.576 -3.427 0.191 1.00 0.00 N ATOM 506 CA LEU A 36 -1.686 -2.586 -0.224 1.00 0.00 C ATOM 507 C LEU A 36 -2.648 -3.407 -1.085 1.00 0.00 C ATOM 508 O LEU A 36 -2.235 -4.353 -1.754 1.00 0.00 O ATOM 509 CB LEU A 36 -1.171 -1.321 -0.913 1.00 0.00 C ATOM 510 CG LEU A 36 -0.499 -0.289 -0.005 1.00 0.00 C ATOM 511 CD1 LEU A 36 0.094 0.859 -0.824 1.00 0.00 C ATOM 512 CD2 LEU A 36 -1.468 0.212 1.068 1.00 0.00 C ATOM 0 H LEU A 36 -0.314 -4.149 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.249 -2.242 0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.459 -1.615 -1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.008 -0.840 -1.419 1.00 0.00 H new ATOM 0 HG LEU A 36 0.328 -0.776 0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.565 1.578 -0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.839 0.466 -1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.699 1.352 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.965 0.944 1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.331 0.676 0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.800 -0.627 1.679 1.00 0.00 H new ATOM 524 N LEU A 37 -3.913 -3.015 -1.040 1.00 0.00 N ATOM 525 CA LEU A 37 -4.937 -3.702 -1.808 1.00 0.00 C ATOM 526 C LEU A 37 -5.224 -2.914 -3.088 1.00 0.00 C ATOM 527 O LEU A 37 -5.275 -1.685 -3.066 1.00 0.00 O ATOM 528 CB LEU A 37 -6.177 -3.949 -0.947 1.00 0.00 C ATOM 529 CG LEU A 37 -6.112 -5.156 -0.008 1.00 0.00 C ATOM 530 CD1 LEU A 37 -7.441 -5.353 0.725 1.00 0.00 C ATOM 531 CD2 LEU A 37 -5.681 -6.415 -0.762 1.00 0.00 C ATOM 0 H LEU A 37 -4.252 -2.230 -0.483 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.587 -4.688 -2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.363 -3.057 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.035 -4.073 -1.608 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.353 -4.959 0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.368 -6.217 1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.667 -4.464 1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.236 -5.518 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.643 -7.258 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.398 -6.628 -1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.694 -6.258 -1.198 1.00 0.00 H new ATOM 543 N GLU A 38 -5.405 -3.654 -4.172 1.00 0.00 N ATOM 544 CA GLU A 38 -5.686 -3.039 -5.459 1.00 0.00 C ATOM 545 C GLU A 38 -6.804 -2.004 -5.319 1.00 0.00 C ATOM 546 O GLU A 38 -6.935 -1.111 -6.155 1.00 0.00 O ATOM 547 CB GLU A 38 -6.045 -4.097 -6.504 1.00 0.00 C ATOM 548 CG GLU A 38 -7.109 -5.058 -5.970 1.00 0.00 C ATOM 549 CD GLU A 38 -7.675 -5.929 -7.093 1.00 0.00 C ATOM 550 OE1 GLU A 38 -8.624 -5.454 -7.755 1.00 0.00 O ATOM 551 OE2 GLU A 38 -7.148 -7.049 -7.264 1.00 0.00 O ATOM 0 H GLU A 38 -5.363 -4.673 -4.186 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.786 -2.528 -5.801 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.411 -3.610 -7.408 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.152 -4.656 -6.782 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.676 -5.692 -5.196 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.915 -4.491 -5.503 1.00 0.00 H new ATOM 558 N GLY A 39 -7.581 -2.158 -4.257 1.00 0.00 N ATOM 559 CA GLY A 39 -8.683 -1.247 -3.998 1.00 0.00 C ATOM 560 C GLY A 39 -8.268 -0.149 -3.017 1.00 0.00 C ATOM 561 O GLY A 39 -8.821 0.949 -3.038 1.00 0.00 O ATOM 0 H GLY A 39 -7.469 -2.900 -3.566 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.015 -0.797 -4.934 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.530 -1.801 -3.592 1.00 0.00 H new ATOM 565 N ASP A 40 -7.296 -0.484 -2.180 1.00 0.00 N ATOM 566 CA ASP A 40 -6.800 0.460 -1.193 1.00 0.00 C ATOM 567 C ASP A 40 -6.433 1.773 -1.888 1.00 0.00 C ATOM 568 O ASP A 40 -5.972 1.768 -3.029 1.00 0.00 O ATOM 569 CB ASP A 40 -5.545 -0.075 -0.501 1.00 0.00 C ATOM 570 CG ASP A 40 -5.808 -0.988 0.698 1.00 0.00 C ATOM 571 OD1 ASP A 40 -6.990 -1.077 1.095 1.00 0.00 O ATOM 572 OD2 ASP A 40 -4.821 -1.575 1.191 1.00 0.00 O ATOM 0 H ASP A 40 -6.839 -1.396 -2.165 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.583 0.614 -0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.951 -0.623 -1.232 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.943 0.771 -0.169 1.00 0.00 H new ATOM 577 N LEU A 41 -6.652 2.866 -1.172 1.00 0.00 N ATOM 578 CA LEU A 41 -6.350 4.183 -1.706 1.00 0.00 C ATOM 579 C LEU A 41 -5.118 4.747 -0.995 1.00 0.00 C ATOM 580 O LEU A 41 -4.834 4.382 0.144 1.00 0.00 O ATOM 581 CB LEU A 41 -7.579 5.091 -1.620 1.00 0.00 C ATOM 582 CG LEU A 41 -7.585 6.302 -2.555 1.00 0.00 C ATOM 583 CD1 LEU A 41 -6.731 7.437 -1.987 1.00 0.00 C ATOM 584 CD2 LEU A 41 -7.147 5.907 -3.967 1.00 0.00 C ATOM 0 H LEU A 41 -7.035 2.867 -0.227 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.105 4.117 -2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.465 4.491 -1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.671 5.448 -0.594 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.607 6.673 -2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.752 8.286 -2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.128 7.741 -1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.703 7.094 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.160 6.786 -4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.138 5.497 -3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.831 5.156 -4.363 1.00 0.00 H new ATOM 596 N VAL A 42 -4.420 5.628 -1.697 1.00 0.00 N ATOM 597 CA VAL A 42 -3.226 6.245 -1.147 1.00 0.00 C ATOM 598 C VAL A 42 -3.101 7.672 -1.685 1.00 0.00 C ATOM 599 O VAL A 42 -3.648 7.993 -2.739 1.00 0.00 O ATOM 600 CB VAL A 42 -2.001 5.381 -1.455 1.00 0.00 C ATOM 601 CG1 VAL A 42 -2.225 3.934 -1.012 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.641 5.450 -2.941 1.00 0.00 C ATOM 0 H VAL A 42 -4.659 5.929 -2.642 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.296 6.311 -0.061 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.160 5.779 -0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.339 3.342 -1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.410 3.907 0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.085 3.521 -1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.767 4.827 -3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.481 5.090 -3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.418 6.482 -3.214 1.00 0.00 H new ATOM 612 N GLY A 43 -2.378 8.492 -0.936 1.00 0.00 N ATOM 613 CA GLY A 43 -2.174 9.877 -1.324 1.00 0.00 C ATOM 614 C GLY A 43 -0.684 10.196 -1.455 1.00 0.00 C ATOM 615 O GLY A 43 0.011 10.359 -0.453 1.00 0.00 O ATOM 0 H GLY A 43 -1.926 8.223 -0.062 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.676 10.070 -2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.627 10.536 -0.584 1.00 0.00 H new ATOM 619 N VAL A 44 -0.236 10.277 -2.699 1.00 0.00 N ATOM 620 CA VAL A 44 1.159 10.575 -2.974 1.00 0.00 C ATOM 621 C VAL A 44 1.652 11.641 -1.995 1.00 0.00 C ATOM 622 O VAL A 44 1.013 12.679 -1.829 1.00 0.00 O ATOM 623 CB VAL A 44 1.328 10.984 -4.439 1.00 0.00 C ATOM 624 CG1 VAL A 44 2.604 11.806 -4.635 1.00 0.00 C ATOM 625 CG2 VAL A 44 1.319 9.759 -5.356 1.00 0.00 C ATOM 0 H VAL A 44 -0.815 10.141 -3.528 1.00 0.00 H new ATOM 0 HA VAL A 44 1.775 9.688 -2.825 1.00 0.00 H new ATOM 0 HB VAL A 44 0.479 11.612 -4.711 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.700 12.084 -5.685 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.554 12.707 -4.024 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.468 11.213 -4.336 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.441 10.078 -6.391 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.138 9.094 -5.083 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.372 9.231 -5.248 1.00 0.00 H new ATOM 635 N ILE A 45 2.784 11.349 -1.371 1.00 0.00 N ATOM 636 CA ILE A 45 3.369 12.270 -0.412 1.00 0.00 C ATOM 637 C ILE A 45 4.568 12.973 -1.053 1.00 0.00 C ATOM 638 O ILE A 45 4.608 14.201 -1.120 1.00 0.00 O ATOM 639 CB ILE A 45 3.708 11.543 0.891 1.00 0.00 C ATOM 640 CG1 ILE A 45 2.437 11.112 1.625 1.00 0.00 C ATOM 641 CG2 ILE A 45 4.618 12.398 1.775 1.00 0.00 C ATOM 642 CD1 ILE A 45 2.569 9.685 2.159 1.00 0.00 C ATOM 0 H ILE A 45 3.311 10.487 -1.511 1.00 0.00 H new ATOM 0 HA ILE A 45 2.651 13.044 -0.141 1.00 0.00 H new ATOM 0 HB ILE A 45 4.260 10.636 0.643 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.240 11.796 2.450 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.584 11.174 0.949 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.844 11.858 2.695 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.545 12.612 1.243 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.115 13.334 2.018 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.652 9.404 2.676 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.742 9.000 1.329 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.408 9.632 2.853 1.00 0.00 H new ATOM 654 N LYS A 46 5.514 12.165 -1.508 1.00 0.00 N ATOM 655 CA LYS A 46 6.710 12.695 -2.141 1.00 0.00 C ATOM 656 C LYS A 46 6.895 12.030 -3.506 1.00 0.00 C ATOM 657 O LYS A 46 6.599 10.848 -3.671 1.00 0.00 O ATOM 658 CB LYS A 46 7.918 12.544 -1.214 1.00 0.00 C ATOM 659 CG LYS A 46 8.270 13.877 -0.551 1.00 0.00 C ATOM 660 CD LYS A 46 7.068 14.447 0.205 1.00 0.00 C ATOM 661 CE LYS A 46 7.502 15.084 1.526 1.00 0.00 C ATOM 662 NZ LYS A 46 7.483 14.082 2.615 1.00 0.00 N ATOM 0 H LYS A 46 5.477 11.147 -1.451 1.00 0.00 H new ATOM 0 HA LYS A 46 6.606 13.765 -2.319 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.703 11.799 -0.448 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.774 12.179 -1.782 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.104 13.736 0.137 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.599 14.589 -1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.565 15.190 -0.413 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.347 13.653 0.400 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.504 15.500 1.424 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.837 15.911 1.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.054 14.426 3.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.504 13.930 2.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.878 13.185 2.268 1.00 0.00 H new ATOM 676 N LYS A 47 7.384 12.820 -4.451 1.00 0.00 N ATOM 677 CA LYS A 47 7.613 12.323 -5.797 1.00 0.00 C ATOM 678 C LYS A 47 9.095 11.983 -5.967 1.00 0.00 C ATOM 679 O LYS A 47 9.614 11.992 -7.082 1.00 0.00 O ATOM 680 CB LYS A 47 7.088 13.320 -6.833 1.00 0.00 C ATOM 681 CG LYS A 47 5.558 13.353 -6.836 1.00 0.00 C ATOM 682 CD LYS A 47 5.031 14.209 -7.989 1.00 0.00 C ATOM 683 CE LYS A 47 3.544 13.943 -8.234 1.00 0.00 C ATOM 684 NZ LYS A 47 3.008 14.886 -9.241 1.00 0.00 N ATOM 0 H LYS A 47 7.628 13.800 -4.311 1.00 0.00 H new ATOM 0 HA LYS A 47 7.054 11.402 -5.962 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.476 14.315 -6.615 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.451 13.046 -7.823 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.169 12.339 -6.924 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.197 13.752 -5.888 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.183 15.264 -7.762 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.597 13.993 -8.895 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.403 12.918 -8.576 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.991 14.046 -7.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.998 14.692 -9.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.125 15.862 -8.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.524 14.768 -10.136 1.00 0.00 H new ATOM 698 N LYS A 48 9.734 11.692 -4.843 1.00 0.00 N ATOM 699 CA LYS A 48 11.147 11.351 -4.853 1.00 0.00 C ATOM 700 C LYS A 48 11.548 10.819 -3.476 1.00 0.00 C ATOM 701 O LYS A 48 11.290 11.462 -2.459 1.00 0.00 O ATOM 702 CB LYS A 48 11.983 12.544 -5.319 1.00 0.00 C ATOM 703 CG LYS A 48 12.424 12.369 -6.774 1.00 0.00 C ATOM 704 CD LYS A 48 13.937 12.157 -6.867 1.00 0.00 C ATOM 705 CE LYS A 48 14.691 13.458 -6.588 1.00 0.00 C ATOM 706 NZ LYS A 48 16.149 13.256 -6.747 1.00 0.00 N ATOM 0 H LYS A 48 9.300 11.685 -3.920 1.00 0.00 H new ATOM 0 HA LYS A 48 11.342 10.555 -5.572 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.402 13.461 -5.219 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.859 12.650 -4.680 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.906 11.517 -7.215 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.140 13.248 -7.352 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.245 11.393 -6.153 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.196 11.788 -7.860 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.349 14.237 -7.270 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.474 13.802 -5.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.646 14.149 -6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.473 12.528 -6.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.353 12.949 -7.720 1.00 0.00 H new ATOM 720 N ASP A 49 12.173 9.651 -3.486 1.00 0.00 N ATOM 721 CA ASP A 49 12.612 9.026 -2.251 1.00 0.00 C ATOM 722 C ASP A 49 13.853 9.753 -1.729 1.00 0.00 C ATOM 723 O ASP A 49 14.566 10.399 -2.496 1.00 0.00 O ATOM 724 CB ASP A 49 12.984 7.559 -2.477 1.00 0.00 C ATOM 725 CG ASP A 49 14.206 7.332 -3.369 1.00 0.00 C ATOM 726 OD1 ASP A 49 14.527 8.263 -4.140 1.00 0.00 O ATOM 727 OD2 ASP A 49 14.791 6.233 -3.261 1.00 0.00 O ATOM 0 H ASP A 49 12.386 9.121 -4.331 1.00 0.00 H new ATOM 0 HA ASP A 49 11.792 9.084 -1.535 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.168 7.093 -1.509 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.130 7.047 -2.920 1.00 0.00 H new ATOM 732 N PRO A 50 14.079 9.620 -0.395 1.00 0.00 N ATOM 733 CA PRO A 50 15.222 10.257 0.238 1.00 0.00 C ATOM 734 C PRO A 50 16.516 9.511 -0.091 1.00 0.00 C ATOM 735 O PRO A 50 17.206 9.031 0.808 1.00 0.00 O ATOM 736 CB PRO A 50 14.898 10.260 1.723 1.00 0.00 C ATOM 737 CG PRO A 50 13.810 9.215 1.914 1.00 0.00 C ATOM 738 CD PRO A 50 13.256 8.863 0.544 1.00 0.00 C ATOM 0 HA PRO A 50 15.391 11.272 -0.121 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.780 10.018 2.316 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.556 11.243 2.046 1.00 0.00 H new ATOM 0 HG2 PRO A 50 14.214 8.328 2.402 1.00 0.00 H new ATOM 0 HG3 PRO A 50 13.019 9.600 2.558 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.322 7.792 0.354 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.205 9.138 0.460 1.00 0.00 H new ATOM 746 N MET A 51 16.808 9.437 -1.381 1.00 0.00 N ATOM 747 CA MET A 51 18.008 8.758 -1.840 1.00 0.00 C ATOM 748 C MET A 51 18.421 9.252 -3.227 1.00 0.00 C ATOM 749 O MET A 51 19.520 9.777 -3.402 1.00 0.00 O ATOM 750 CB MET A 51 17.754 7.250 -1.889 1.00 0.00 C ATOM 751 CG MET A 51 18.100 6.592 -0.551 1.00 0.00 C ATOM 752 SD MET A 51 19.264 5.263 -0.808 1.00 0.00 S ATOM 753 CE MET A 51 18.196 4.061 -1.581 1.00 0.00 C ATOM 0 H MET A 51 16.234 9.836 -2.123 1.00 0.00 H new ATOM 0 HA MET A 51 18.816 8.977 -1.142 1.00 0.00 H new ATOM 0 HB2 MET A 51 16.708 7.061 -2.131 1.00 0.00 H new ATOM 0 HB3 MET A 51 18.351 6.803 -2.684 1.00 0.00 H new ATOM 0 HG2 MET A 51 18.524 7.331 0.129 1.00 0.00 H new ATOM 0 HG3 MET A 51 17.195 6.208 -0.080 1.00 0.00 H new ATOM 0 HE1 MET A 51 18.758 3.148 -1.778 1.00 0.00 H new ATOM 0 HE2 MET A 51 17.361 3.837 -0.918 1.00 0.00 H new ATOM 0 HE3 MET A 51 17.816 4.463 -2.520 1.00 0.00 H new ATOM 763 N GLY A 52 17.519 9.067 -4.179 1.00 0.00 N ATOM 764 CA GLY A 52 17.776 9.487 -5.546 1.00 0.00 C ATOM 765 C GLY A 52 17.095 8.549 -6.545 1.00 0.00 C ATOM 766 O GLY A 52 17.755 7.970 -7.407 1.00 0.00 O ATOM 0 H GLY A 52 16.609 8.632 -4.031 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.414 10.505 -5.692 1.00 0.00 H new ATOM 0 HA3 GLY A 52 18.850 9.502 -5.730 1.00 0.00 H new ATOM 770 N SER A 53 15.785 8.428 -6.396 1.00 0.00 N ATOM 771 CA SER A 53 15.008 7.570 -7.275 1.00 0.00 C ATOM 772 C SER A 53 13.561 8.063 -7.342 1.00 0.00 C ATOM 773 O SER A 53 12.823 7.968 -6.363 1.00 0.00 O ATOM 774 CB SER A 53 15.051 6.115 -6.803 1.00 0.00 C ATOM 775 OG SER A 53 16.376 5.694 -6.491 1.00 0.00 O ATOM 0 H SER A 53 15.241 8.910 -5.680 1.00 0.00 H new ATOM 0 HA SER A 53 15.447 7.614 -8.272 1.00 0.00 H new ATOM 0 HB2 SER A 53 14.418 6.000 -5.923 1.00 0.00 H new ATOM 0 HB3 SER A 53 14.639 5.470 -7.579 1.00 0.00 H new ATOM 0 HG SER A 53 16.361 4.761 -6.192 1.00 0.00 H new ATOM 781 N GLN A 54 13.199 8.579 -8.508 1.00 0.00 N ATOM 782 CA GLN A 54 11.854 9.087 -8.716 1.00 0.00 C ATOM 783 C GLN A 54 10.897 7.938 -9.041 1.00 0.00 C ATOM 784 O GLN A 54 9.679 8.112 -9.012 1.00 0.00 O ATOM 785 CB GLN A 54 11.832 10.147 -9.819 1.00 0.00 C ATOM 786 CG GLN A 54 12.543 9.644 -11.076 1.00 0.00 C ATOM 787 CD GLN A 54 11.670 9.844 -12.317 1.00 0.00 C ATOM 788 OE1 GLN A 54 11.786 10.821 -13.038 1.00 0.00 O ATOM 789 NE2 GLN A 54 10.793 8.867 -12.524 1.00 0.00 N ATOM 0 H GLN A 54 13.814 8.656 -9.318 1.00 0.00 H new ATOM 0 HA GLN A 54 11.520 9.563 -7.794 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.801 10.406 -10.059 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.315 11.057 -9.463 1.00 0.00 H new ATOM 0 HG2 GLN A 54 13.487 10.175 -11.201 1.00 0.00 H new ATOM 0 HG3 GLN A 54 12.784 8.587 -10.963 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.749 8.077 -11.881 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.164 8.907 -13.326 1.00 0.00 H new ATOM 798 N ASN A 55 11.483 6.789 -9.342 1.00 0.00 N ATOM 799 CA ASN A 55 10.698 5.612 -9.672 1.00 0.00 C ATOM 800 C ASN A 55 9.861 5.206 -8.457 1.00 0.00 C ATOM 801 O ASN A 55 8.764 4.669 -8.606 1.00 0.00 O ATOM 802 CB ASN A 55 11.601 4.432 -10.039 1.00 0.00 C ATOM 803 CG ASN A 55 12.202 4.616 -11.434 1.00 0.00 C ATOM 804 OD1 ASN A 55 13.237 5.237 -11.615 1.00 0.00 O ATOM 805 ND2 ASN A 55 11.498 4.043 -12.406 1.00 0.00 N ATOM 0 H ASN A 55 12.493 6.648 -9.364 1.00 0.00 H new ATOM 0 HA ASN A 55 10.063 5.858 -10.523 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.400 4.339 -9.304 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.027 3.506 -10.005 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.816 4.109 -13.373 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.640 3.538 -12.185 1.00 0.00 H new ATOM 812 N ARG A 56 10.410 5.477 -7.282 1.00 0.00 N ATOM 813 CA ARG A 56 9.727 5.147 -6.043 1.00 0.00 C ATOM 814 C ARG A 56 9.222 6.419 -5.360 1.00 0.00 C ATOM 815 O ARG A 56 9.992 7.349 -5.124 1.00 0.00 O ATOM 816 CB ARG A 56 10.655 4.397 -5.086 1.00 0.00 C ATOM 817 CG ARG A 56 9.853 3.620 -4.040 1.00 0.00 C ATOM 818 CD ARG A 56 10.590 2.348 -3.617 1.00 0.00 C ATOM 819 NE ARG A 56 9.900 1.158 -4.162 1.00 0.00 N ATOM 820 CZ ARG A 56 10.484 -0.035 -4.337 1.00 0.00 C ATOM 821 NH1 ARG A 56 11.772 -0.205 -4.009 1.00 0.00 N ATOM 822 NH2 ARG A 56 9.780 -1.059 -4.838 1.00 0.00 N ATOM 0 H ARG A 56 11.320 5.921 -7.162 1.00 0.00 H new ATOM 0 HA ARG A 56 8.882 4.504 -6.291 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.286 3.710 -5.650 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.319 5.104 -4.589 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.679 4.251 -3.168 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.875 3.360 -4.446 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.619 2.378 -3.975 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.633 2.287 -2.530 1.00 0.00 H new ATOM 0 HE ARG A 56 8.918 1.252 -4.421 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.308 0.574 -3.626 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.217 -1.113 -4.142 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.799 -0.930 -5.086 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.225 -1.967 -4.971 1.00 0.00 H new ATOM 836 N TRP A 57 7.931 6.419 -5.061 1.00 0.00 N ATOM 837 CA TRP A 57 7.314 7.562 -4.410 1.00 0.00 C ATOM 838 C TRP A 57 6.783 7.102 -3.050 1.00 0.00 C ATOM 839 O TRP A 57 6.619 5.906 -2.817 1.00 0.00 O ATOM 840 CB TRP A 57 6.231 8.180 -5.296 1.00 0.00 C ATOM 841 CG TRP A 57 6.776 8.948 -6.502 1.00 0.00 C ATOM 842 CD1 TRP A 57 8.053 9.235 -6.788 1.00 0.00 C ATOM 843 CD2 TRP A 57 6.004 9.519 -7.579 1.00 0.00 C ATOM 844 NE1 TRP A 57 8.160 9.946 -7.966 1.00 0.00 N ATOM 845 CE2 TRP A 57 6.874 10.125 -8.462 1.00 0.00 C ATOM 846 CE3 TRP A 57 4.615 9.524 -7.799 1.00 0.00 C ATOM 847 CZ2 TRP A 57 6.453 10.780 -9.625 1.00 0.00 C ATOM 848 CZ3 TRP A 57 4.210 10.183 -8.966 1.00 0.00 C ATOM 849 CH2 TRP A 57 5.074 10.798 -9.865 1.00 0.00 C ATOM 0 H TRP A 57 7.296 5.646 -5.258 1.00 0.00 H new ATOM 0 HA TRP A 57 8.045 8.354 -4.249 1.00 0.00 H new ATOM 0 HB2 TRP A 57 5.571 7.388 -5.651 1.00 0.00 H new ATOM 0 HB3 TRP A 57 5.624 8.855 -4.693 1.00 0.00 H new ATOM 0 HD1 TRP A 57 8.893 8.946 -6.174 1.00 0.00 H new ATOM 0 HE1 TRP A 57 9.024 10.279 -8.394 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.916 9.056 -7.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 7.154 11.246 -10.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 3.153 10.216 -9.183 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.683 11.288 -10.745 1.00 0.00 H new ATOM 860 N LEU A 58 6.530 8.077 -2.189 1.00 0.00 N ATOM 861 CA LEU A 58 6.022 7.787 -0.859 1.00 0.00 C ATOM 862 C LEU A 58 4.534 8.140 -0.799 1.00 0.00 C ATOM 863 O LEU A 58 4.147 9.266 -1.108 1.00 0.00 O ATOM 864 CB LEU A 58 6.866 8.494 0.203 1.00 0.00 C ATOM 865 CG LEU A 58 6.403 8.322 1.651 1.00 0.00 C ATOM 866 CD1 LEU A 58 6.660 6.896 2.143 1.00 0.00 C ATOM 867 CD2 LEU A 58 7.050 9.367 2.562 1.00 0.00 C ATOM 0 H LEU A 58 6.667 9.068 -2.387 1.00 0.00 H new ATOM 0 HA LEU A 58 6.107 6.722 -0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.891 8.132 0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.886 9.559 -0.027 1.00 0.00 H new ATOM 0 HG LEU A 58 5.326 8.486 1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.322 6.801 3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.115 6.191 1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.727 6.679 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.704 9.222 3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.134 9.259 2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.774 10.366 2.224 1.00 0.00 H new ATOM 879 N ILE A 59 3.742 7.157 -0.397 1.00 0.00 N ATOM 880 CA ILE A 59 2.305 7.350 -0.292 1.00 0.00 C ATOM 881 C ILE A 59 1.849 6.988 1.123 1.00 0.00 C ATOM 882 O ILE A 59 2.590 6.360 1.877 1.00 0.00 O ATOM 883 CB ILE A 59 1.578 6.572 -1.390 1.00 0.00 C ATOM 884 CG1 ILE A 59 1.763 5.064 -1.209 1.00 0.00 C ATOM 885 CG2 ILE A 59 2.020 7.041 -2.778 1.00 0.00 C ATOM 886 CD1 ILE A 59 1.000 4.562 0.019 1.00 0.00 C ATOM 0 H ILE A 59 4.067 6.225 -0.140 1.00 0.00 H new ATOM 0 HA ILE A 59 2.048 8.397 -0.453 1.00 0.00 H new ATOM 0 HB ILE A 59 0.511 6.778 -1.305 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.412 4.541 -2.099 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.823 4.834 -1.102 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.488 6.472 -3.541 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.794 8.101 -2.893 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.093 6.884 -2.890 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.148 3.487 0.125 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.371 5.069 0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.063 4.772 -0.102 1.00 0.00 H new ATOM 898 N ASP A 60 0.630 7.401 1.441 1.00 0.00 N ATOM 899 CA ASP A 60 0.066 7.128 2.752 1.00 0.00 C ATOM 900 C ASP A 60 -1.150 6.212 2.599 1.00 0.00 C ATOM 901 O ASP A 60 -2.159 6.606 2.016 1.00 0.00 O ATOM 902 CB ASP A 60 -0.396 8.418 3.432 1.00 0.00 C ATOM 903 CG ASP A 60 -1.539 8.246 4.435 1.00 0.00 C ATOM 904 OD1 ASP A 60 -2.698 8.190 3.970 1.00 0.00 O ATOM 905 OD2 ASP A 60 -1.228 8.175 5.643 1.00 0.00 O ATOM 0 H ASP A 60 0.018 7.922 0.813 1.00 0.00 H new ATOM 0 HA ASP A 60 0.838 6.657 3.360 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.455 8.865 3.946 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.710 9.124 2.663 1.00 0.00 H new ATOM 910 N ASN A 61 -1.014 5.006 3.132 1.00 0.00 N ATOM 911 CA ASN A 61 -2.088 4.031 3.061 1.00 0.00 C ATOM 912 C ASN A 61 -3.167 4.393 4.084 1.00 0.00 C ATOM 913 O ASN A 61 -4.190 3.717 4.178 1.00 0.00 O ATOM 914 CB ASN A 61 -1.579 2.626 3.387 1.00 0.00 C ATOM 915 CG ASN A 61 -0.784 2.620 4.694 1.00 0.00 C ATOM 916 OD1 ASN A 61 -0.467 3.652 5.262 1.00 0.00 O ATOM 917 ND2 ASN A 61 -0.481 1.404 5.138 1.00 0.00 N ATOM 0 H ASN A 61 -0.176 4.683 3.615 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.488 4.043 2.047 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.422 1.940 3.467 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.950 2.265 2.573 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.048 1.294 6.003 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.777 0.581 4.613 1.00 0.00 H new ATOM 924 N GLY A 62 -2.901 5.458 4.826 1.00 0.00 N ATOM 925 CA GLY A 62 -3.836 5.918 5.839 1.00 0.00 C ATOM 926 C GLY A 62 -3.306 5.630 7.245 1.00 0.00 C ATOM 927 O GLY A 62 -3.525 6.414 8.167 1.00 0.00 O ATOM 0 H GLY A 62 -2.051 6.016 4.746 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.006 6.988 5.723 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.799 5.425 5.701 1.00 0.00 H new ATOM 931 N VAL A 63 -2.620 4.503 7.365 1.00 0.00 N ATOM 932 CA VAL A 63 -2.057 4.102 8.643 1.00 0.00 C ATOM 933 C VAL A 63 -0.613 4.598 8.738 1.00 0.00 C ATOM 934 O VAL A 63 -0.222 5.193 9.741 1.00 0.00 O ATOM 935 CB VAL A 63 -2.181 2.587 8.817 1.00 0.00 C ATOM 936 CG1 VAL A 63 -3.649 2.161 8.882 1.00 0.00 C ATOM 937 CG2 VAL A 63 -1.444 1.844 7.701 1.00 0.00 C ATOM 0 H VAL A 63 -2.441 3.855 6.598 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.611 4.557 9.464 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.712 2.320 9.764 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.709 1.080 9.006 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.133 2.650 9.727 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.153 2.449 7.959 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.548 0.769 7.849 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.870 2.121 6.737 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.388 2.112 7.721 1.00 0.00 H new ATOM 947 N THR A 64 0.140 4.334 7.680 1.00 0.00 N ATOM 948 CA THR A 64 1.533 4.747 7.632 1.00 0.00 C ATOM 949 C THR A 64 1.900 5.220 6.224 1.00 0.00 C ATOM 950 O THR A 64 1.021 5.522 5.418 1.00 0.00 O ATOM 951 CB THR A 64 2.389 3.578 8.122 1.00 0.00 C ATOM 952 OG1 THR A 64 3.713 4.106 8.154 1.00 0.00 O ATOM 953 CG2 THR A 64 2.467 2.440 7.102 1.00 0.00 C ATOM 0 H THR A 64 -0.188 3.840 6.850 1.00 0.00 H new ATOM 0 HA THR A 64 1.716 5.600 8.286 1.00 0.00 H new ATOM 0 HB THR A 64 1.981 3.198 9.059 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.334 3.414 8.463 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.086 1.636 7.500 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.465 2.061 6.903 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.905 2.811 6.176 1.00 0.00 H new ATOM 961 N LYS A 65 3.200 5.271 5.971 1.00 0.00 N ATOM 962 CA LYS A 65 3.694 5.703 4.675 1.00 0.00 C ATOM 963 C LYS A 65 4.572 4.602 4.076 1.00 0.00 C ATOM 964 O LYS A 65 5.575 4.211 4.670 1.00 0.00 O ATOM 965 CB LYS A 65 4.400 7.055 4.794 1.00 0.00 C ATOM 966 CG LYS A 65 3.505 8.080 5.494 1.00 0.00 C ATOM 967 CD LYS A 65 4.339 9.063 6.318 1.00 0.00 C ATOM 968 CE LYS A 65 3.916 10.507 6.042 1.00 0.00 C ATOM 969 NZ LYS A 65 5.096 11.400 6.025 1.00 0.00 N ATOM 0 H LYS A 65 3.926 5.020 6.642 1.00 0.00 H new ATOM 0 HA LYS A 65 2.865 5.862 3.985 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.329 6.937 5.352 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.668 7.418 3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.921 8.625 4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.796 7.566 6.143 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.223 8.843 7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.395 8.938 6.080 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.397 10.563 5.085 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.213 10.838 6.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.790 12.376 5.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.575 11.360 6.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.753 11.093 5.280 1.00 0.00 H new ATOM 983 N GLY A 66 4.161 4.133 2.907 1.00 0.00 N ATOM 984 CA GLY A 66 4.898 3.085 2.221 1.00 0.00 C ATOM 985 C GLY A 66 5.435 3.581 0.877 1.00 0.00 C ATOM 986 O GLY A 66 4.865 4.489 0.274 1.00 0.00 O ATOM 0 H GLY A 66 3.328 4.459 2.418 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.726 2.749 2.846 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.249 2.224 2.062 1.00 0.00 H new ATOM 990 N PHE A 67 6.526 2.964 0.447 1.00 0.00 N ATOM 991 CA PHE A 67 7.146 3.332 -0.814 1.00 0.00 C ATOM 992 C PHE A 67 6.792 2.328 -1.913 1.00 0.00 C ATOM 993 O PHE A 67 7.046 1.132 -1.771 1.00 0.00 O ATOM 994 CB PHE A 67 8.660 3.313 -0.590 1.00 0.00 C ATOM 995 CG PHE A 67 9.200 4.558 0.115 1.00 0.00 C ATOM 996 CD1 PHE A 67 9.263 4.596 1.474 1.00 0.00 C ATOM 997 CD2 PHE A 67 9.618 5.626 -0.615 1.00 0.00 C ATOM 998 CE1 PHE A 67 9.765 5.752 2.129 1.00 0.00 C ATOM 999 CE2 PHE A 67 10.120 6.782 0.040 1.00 0.00 C ATOM 1000 CZ PHE A 67 10.182 6.820 1.398 1.00 0.00 C ATOM 0 H PHE A 67 6.996 2.211 0.950 1.00 0.00 H new ATOM 0 HA PHE A 67 6.793 4.314 -1.129 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.919 2.433 -0.001 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.158 3.209 -1.554 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.931 3.748 2.054 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.568 5.595 -1.693 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.815 5.783 3.207 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.452 7.630 -0.540 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.563 7.699 1.896 1.00 0.00 H new ATOM 1010 N VAL A 68 6.212 2.850 -2.983 1.00 0.00 N ATOM 1011 CA VAL A 68 5.820 2.015 -4.105 1.00 0.00 C ATOM 1012 C VAL A 68 6.026 2.789 -5.409 1.00 0.00 C ATOM 1013 O VAL A 68 5.976 4.018 -5.419 1.00 0.00 O ATOM 1014 CB VAL A 68 4.381 1.529 -3.919 1.00 0.00 C ATOM 1015 CG1 VAL A 68 4.276 0.565 -2.736 1.00 0.00 C ATOM 1016 CG2 VAL A 68 3.422 2.709 -3.752 1.00 0.00 C ATOM 0 H VAL A 68 6.004 3.842 -3.097 1.00 0.00 H new ATOM 0 HA VAL A 68 6.446 1.124 -4.154 1.00 0.00 H new ATOM 0 HB VAL A 68 4.091 0.986 -4.819 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.243 0.235 -2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.916 -0.299 -2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.594 1.071 -1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.406 2.336 -3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.710 3.291 -2.877 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.465 3.341 -4.639 1.00 0.00 H new ATOM 1026 N TYR A 69 6.253 2.038 -6.476 1.00 0.00 N ATOM 1027 CA TYR A 69 6.467 2.639 -7.782 1.00 0.00 C ATOM 1028 C TYR A 69 5.149 3.135 -8.379 1.00 0.00 C ATOM 1029 O TYR A 69 4.190 2.373 -8.496 1.00 0.00 O ATOM 1030 CB TYR A 69 7.030 1.528 -8.670 1.00 0.00 C ATOM 1031 CG TYR A 69 8.462 1.118 -8.323 1.00 0.00 C ATOM 1032 CD1 TYR A 69 9.111 1.712 -7.259 1.00 0.00 C ATOM 1033 CD2 TYR A 69 9.106 0.154 -9.073 1.00 0.00 C ATOM 1034 CE1 TYR A 69 10.459 1.326 -6.932 1.00 0.00 C ATOM 1035 CE2 TYR A 69 10.454 -0.231 -8.745 1.00 0.00 C ATOM 1036 CZ TYR A 69 11.064 0.374 -7.691 1.00 0.00 C ATOM 1037 OH TYR A 69 12.337 0.009 -7.382 1.00 0.00 O ATOM 0 H TYR A 69 6.294 1.019 -6.463 1.00 0.00 H new ATOM 0 HA TYR A 69 7.139 3.494 -7.706 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.384 0.653 -8.593 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.999 1.857 -9.709 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.608 2.466 -6.672 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.599 -0.311 -9.905 1.00 0.00 H new ATOM 0 HE1 TYR A 69 10.978 1.783 -6.102 1.00 0.00 H new ATOM 0 HE2 TYR A 69 10.969 -0.984 -9.323 1.00 0.00 H new ATOM 0 HH TYR A 69 12.641 -0.681 -8.008 1.00 0.00 H new ATOM 1047 N SER A 70 5.143 4.410 -8.742 1.00 0.00 N ATOM 1048 CA SER A 70 3.959 5.017 -9.325 1.00 0.00 C ATOM 1049 C SER A 70 3.275 4.027 -10.270 1.00 0.00 C ATOM 1050 O SER A 70 2.057 4.064 -10.438 1.00 0.00 O ATOM 1051 CB SER A 70 4.310 6.306 -10.070 1.00 0.00 C ATOM 1052 OG SER A 70 5.427 6.133 -10.938 1.00 0.00 O ATOM 0 H SER A 70 5.940 5.039 -8.643 1.00 0.00 H new ATOM 0 HA SER A 70 3.273 5.272 -8.517 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.448 6.636 -10.650 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.530 7.093 -9.349 1.00 0.00 H new ATOM 0 HG SER A 70 5.619 6.978 -11.397 1.00 0.00 H new ATOM 1058 N SER A 71 4.088 3.165 -10.863 1.00 0.00 N ATOM 1059 CA SER A 71 3.577 2.168 -11.787 1.00 0.00 C ATOM 1060 C SER A 71 2.517 1.308 -11.095 1.00 0.00 C ATOM 1061 O SER A 71 1.423 1.120 -11.624 1.00 0.00 O ATOM 1062 CB SER A 71 4.705 1.287 -12.327 1.00 0.00 C ATOM 1063 OG SER A 71 4.733 1.268 -13.752 1.00 0.00 O ATOM 0 H SER A 71 5.098 3.137 -10.721 1.00 0.00 H new ATOM 0 HA SER A 71 3.122 2.686 -12.631 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.661 1.651 -11.951 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.581 0.271 -11.953 1.00 0.00 H new ATOM 0 HG SER A 71 5.468 0.696 -14.057 1.00 0.00 H new ATOM 1069 N PHE A 72 2.880 0.808 -9.923 1.00 0.00 N ATOM 1070 CA PHE A 72 1.974 -0.027 -9.153 1.00 0.00 C ATOM 1071 C PHE A 72 0.786 0.785 -8.634 1.00 0.00 C ATOM 1072 O PHE A 72 -0.155 0.226 -8.072 1.00 0.00 O ATOM 1073 CB PHE A 72 2.767 -0.567 -7.961 1.00 0.00 C ATOM 1074 CG PHE A 72 3.447 -1.912 -8.224 1.00 0.00 C ATOM 1075 CD1 PHE A 72 2.743 -3.068 -8.086 1.00 0.00 C ATOM 1076 CD2 PHE A 72 4.755 -1.953 -8.595 1.00 0.00 C ATOM 1077 CE1 PHE A 72 3.374 -4.317 -8.329 1.00 0.00 C ATOM 1078 CE2 PHE A 72 5.385 -3.201 -8.839 1.00 0.00 C ATOM 1079 CZ PHE A 72 4.682 -4.357 -8.701 1.00 0.00 C ATOM 0 H PHE A 72 3.789 0.965 -9.488 1.00 0.00 H new ATOM 0 HA PHE A 72 1.585 -0.829 -9.780 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.526 0.164 -7.682 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.096 -0.671 -7.108 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.704 -3.036 -7.792 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.314 -1.036 -8.704 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.816 -5.235 -8.218 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.423 -3.233 -9.134 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.162 -5.307 -8.887 1.00 0.00 H new ATOM 1089 N LEU A 73 0.868 2.091 -8.841 1.00 0.00 N ATOM 1090 CA LEU A 73 -0.189 2.986 -8.401 1.00 0.00 C ATOM 1091 C LEU A 73 -0.881 3.591 -9.624 1.00 0.00 C ATOM 1092 O LEU A 73 -0.366 3.509 -10.737 1.00 0.00 O ATOM 1093 CB LEU A 73 0.364 4.031 -7.428 1.00 0.00 C ATOM 1094 CG LEU A 73 1.020 3.484 -6.159 1.00 0.00 C ATOM 1095 CD1 LEU A 73 1.790 4.582 -5.423 1.00 0.00 C ATOM 1096 CD2 LEU A 73 -0.013 2.806 -5.256 1.00 0.00 C ATOM 0 H LEU A 73 1.650 2.551 -9.307 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.947 2.435 -7.845 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.096 4.641 -7.958 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.451 4.693 -7.136 1.00 0.00 H new ATOM 0 HG LEU A 73 1.743 2.722 -6.450 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.247 4.167 -4.525 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.568 4.980 -6.075 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.105 5.383 -5.145 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.480 2.426 -4.361 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.777 3.529 -4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.479 1.979 -5.793 1.00 0.00 H new ATOM 1108 N LYS A 74 -2.039 4.185 -9.375 1.00 0.00 N ATOM 1109 CA LYS A 74 -2.808 4.803 -10.442 1.00 0.00 C ATOM 1110 C LYS A 74 -3.329 6.161 -9.968 1.00 0.00 C ATOM 1111 O LYS A 74 -3.546 6.365 -8.775 1.00 0.00 O ATOM 1112 CB LYS A 74 -3.909 3.857 -10.926 1.00 0.00 C ATOM 1113 CG LYS A 74 -4.778 3.384 -9.759 1.00 0.00 C ATOM 1114 CD LYS A 74 -6.217 3.880 -9.911 1.00 0.00 C ATOM 1115 CE LYS A 74 -7.144 2.747 -10.355 1.00 0.00 C ATOM 1116 NZ LYS A 74 -8.528 2.998 -9.893 1.00 0.00 N ATOM 0 H LYS A 74 -2.463 4.251 -8.450 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.175 4.989 -11.310 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.530 4.364 -11.664 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.461 2.996 -11.423 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.768 2.295 -9.711 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.361 3.748 -8.820 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.566 4.290 -8.963 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.251 4.689 -10.640 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.127 2.660 -11.441 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.787 1.799 -9.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.157 2.255 -10.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.554 2.991 -8.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.847 3.925 -10.241 1.00 0.00 H new ATOM 1130 N PRO A 75 -3.519 7.079 -10.954 1.00 0.00 N ATOM 1131 CA PRO A 75 -4.010 8.412 -10.650 1.00 0.00 C ATOM 1132 C PRO A 75 -5.508 8.387 -10.337 1.00 0.00 C ATOM 1133 O PRO A 75 -6.324 8.101 -11.212 1.00 0.00 O ATOM 1134 CB PRO A 75 -3.674 9.244 -11.877 1.00 0.00 C ATOM 1135 CG PRO A 75 -3.429 8.250 -13.001 1.00 0.00 C ATOM 1136 CD PRO A 75 -3.273 6.872 -12.378 1.00 0.00 C ATOM 0 HA PRO A 75 -3.549 8.837 -9.758 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.491 9.921 -12.126 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.792 9.860 -11.701 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.260 8.258 -13.706 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.533 8.520 -13.561 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.983 6.162 -12.803 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.276 6.469 -12.553 1.00 0.00 H new ATOM 1144 N TYR A 76 -5.824 8.689 -9.086 1.00 0.00 N ATOM 1145 CA TYR A 76 -7.208 8.705 -8.647 1.00 0.00 C ATOM 1146 C TYR A 76 -8.023 9.732 -9.437 1.00 0.00 C ATOM 1147 O TYR A 76 -7.491 10.409 -10.315 1.00 0.00 O ATOM 1148 CB TYR A 76 -7.179 9.119 -7.174 1.00 0.00 C ATOM 1149 CG TYR A 76 -8.487 8.852 -6.427 1.00 0.00 C ATOM 1150 CD1 TYR A 76 -8.849 7.558 -6.110 1.00 0.00 C ATOM 1151 CD2 TYR A 76 -9.304 9.905 -6.069 1.00 0.00 C ATOM 1152 CE1 TYR A 76 -10.080 7.307 -5.406 1.00 0.00 C ATOM 1153 CE2 TYR A 76 -10.535 9.654 -5.365 1.00 0.00 C ATOM 1154 CZ TYR A 76 -10.863 8.368 -5.069 1.00 0.00 C ATOM 1155 OH TYR A 76 -12.025 8.131 -4.404 1.00 0.00 O ATOM 0 H TYR A 76 -5.144 8.925 -8.363 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.669 7.729 -8.798 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.371 8.586 -6.673 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.947 10.182 -7.110 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.209 6.734 -6.390 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.020 10.917 -6.317 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.375 6.300 -5.151 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.183 10.469 -5.079 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.480 8.981 -4.228 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.300 9.815 -9.096 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.193 10.747 -9.762 1.00 0.00 C ATOM 1167 C ASN A 77 -11.508 10.832 -8.984 1.00 0.00 C ATOM 1168 O ASN A 77 -12.393 9.996 -9.159 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.515 10.282 -11.183 1.00 0.00 C ATOM 1170 CG ASN A 77 -10.611 11.472 -12.141 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -9.768 12.354 -12.162 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -11.681 11.446 -12.930 1.00 0.00 N ATOM 0 H ASN A 77 -9.738 9.252 -8.367 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.697 11.717 -9.803 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.743 9.594 -11.528 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -11.456 9.732 -11.185 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -11.835 12.195 -13.605 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.348 10.677 -12.860 1.00 0.00 H new