USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 602 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 79 GLN : amide:sc= -5.94! C(o=-5.9!,f=-14!) USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc=-0.00955 USER MOD Single : A 8 TYR OH : rot 30:sc= -0.923 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN :FLIP amide:sc= -1.89 F(o=-2.9!,f=-1.9) USER MOD Single : A 17 SER OG : rot 59:sc= -1.43! USER MOD Single : A 18 LYS NZ :NH3+ 171:sc= -7.93! (180deg=-8.89!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.264 K(o=-0.26,f=-1.2) USER MOD Single : A 40 GLN : amide:sc= -0.216 K(o=-0.22,f=-2.8!) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 152:sc= 0.365 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 143:sc= -5.43! (180deg=-6.45!) USER MOD Single : A 54 GLN :FLIP amide:sc=-0.00188! C(o=-1.9!,f=-0.0019!) USER MOD Single : A 56 HIS :FLIP no HD1:sc= -0.0822 F(o=-0.93,f=-0.082) USER MOD Single : A 59 TYR OH : rot 70:sc= -3.45! USER MOD Single : A 60 GLN : amide:sc= -0.598 K(o=-0.6,f=-1.5!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.56! C(o=-1.6!,f=-5.5!) USER MOD Single : A 73 THR OG1 : rot 44:sc= -6.95! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 8 12.143 -1.685 16.436 1.00 0.00 N ATOM 2 CA TYR A 8 10.968 -2.089 15.618 1.00 0.00 C ATOM 3 C TYR A 8 11.161 -3.496 15.064 1.00 0.00 C ATOM 4 O TYR A 8 11.860 -3.704 14.092 1.00 0.00 O ATOM 5 CB TYR A 8 10.782 -1.116 14.452 1.00 0.00 C ATOM 6 CG TYR A 8 9.588 -1.547 13.629 1.00 0.00 C ATOM 7 CD1 TYR A 8 8.449 -2.063 14.262 1.00 0.00 C ATOM 8 CD2 TYR A 8 9.618 -1.432 12.233 1.00 0.00 C ATOM 9 CE1 TYR A 8 7.343 -2.461 13.501 1.00 0.00 C ATOM 10 CE2 TYR A 8 8.512 -1.830 11.473 1.00 0.00 C ATOM 11 CZ TYR A 8 7.374 -2.345 12.107 1.00 0.00 C ATOM 12 OH TYR A 8 6.285 -2.736 11.357 1.00 0.00 O ATOM 0 HA TYR A 8 10.085 -2.072 16.257 1.00 0.00 H new ATOM 0 HB2 TYR A 8 10.633 -0.104 14.828 1.00 0.00 H new ATOM 0 HB3 TYR A 8 11.678 -1.097 13.832 1.00 0.00 H new ATOM 0 HD1 TYR A 8 8.424 -2.154 15.338 1.00 0.00 H new ATOM 0 HD2 TYR A 8 10.495 -1.036 11.743 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.466 -2.858 13.990 1.00 0.00 H new ATOM 0 HE2 TYR A 8 8.536 -1.740 10.397 1.00 0.00 H new ATOM 0 HH TYR A 8 5.466 -2.611 11.880 1.00 0.00 H new ATOM 22 N VAL A 9 10.517 -4.459 15.657 1.00 0.00 N ATOM 23 CA VAL A 9 10.630 -5.854 15.146 1.00 0.00 C ATOM 24 C VAL A 9 9.346 -6.175 14.382 1.00 0.00 C ATOM 25 O VAL A 9 8.254 -5.938 14.858 1.00 0.00 O ATOM 26 CB VAL A 9 10.806 -6.836 16.310 1.00 0.00 C ATOM 27 CG1 VAL A 9 12.297 -7.039 16.584 1.00 0.00 C ATOM 28 CG2 VAL A 9 10.126 -6.281 17.563 1.00 0.00 C ATOM 0 H VAL A 9 9.917 -4.342 16.473 1.00 0.00 H new ATOM 0 HA VAL A 9 11.498 -5.947 14.493 1.00 0.00 H new ATOM 0 HB VAL A 9 10.350 -7.791 16.048 1.00 0.00 H new ATOM 0 HG11 VAL A 9 12.423 -7.737 17.412 1.00 0.00 H new ATOM 0 HG12 VAL A 9 12.779 -7.441 15.693 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.753 -6.083 16.843 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.254 -6.983 18.387 1.00 0.00 H new ATOM 0 HG22 VAL A 9 10.576 -5.324 17.828 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.063 -6.140 17.368 1.00 0.00 H new ATOM 38 N ALA A 10 9.464 -6.687 13.191 1.00 0.00 N ATOM 39 CA ALA A 10 8.244 -6.988 12.392 1.00 0.00 C ATOM 40 C ALA A 10 7.240 -7.773 13.243 1.00 0.00 C ATOM 41 O ALA A 10 7.599 -8.353 14.249 1.00 0.00 O ATOM 42 CB ALA A 10 8.633 -7.808 11.162 1.00 0.00 C ATOM 0 H ALA A 10 10.349 -6.910 12.736 1.00 0.00 H new ATOM 0 HA ALA A 10 7.782 -6.053 12.075 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.741 -8.030 10.576 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.336 -7.239 10.553 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.100 -8.741 11.479 1.00 0.00 H new ATOM 48 N PRO A 11 6.002 -7.755 12.810 1.00 0.00 N ATOM 49 CA PRO A 11 4.901 -8.446 13.506 1.00 0.00 C ATOM 50 C PRO A 11 4.982 -9.958 13.286 1.00 0.00 C ATOM 51 O PRO A 11 6.022 -10.493 12.958 1.00 0.00 O ATOM 52 CB PRO A 11 3.641 -7.859 12.864 1.00 0.00 C ATOM 53 CG PRO A 11 4.073 -7.300 11.488 1.00 0.00 C ATOM 54 CD PRO A 11 5.591 -7.052 11.576 1.00 0.00 C ATOM 0 HA PRO A 11 4.925 -8.304 14.586 1.00 0.00 H new ATOM 0 HB2 PRO A 11 2.872 -8.623 12.749 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.218 -7.072 13.488 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.841 -8.007 10.691 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.541 -6.376 11.260 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.110 -7.445 10.702 1.00 0.00 H new ATOM 0 HD3 PRO A 11 5.818 -5.987 11.630 1.00 0.00 H new ATOM 62 N THR A 12 3.893 -10.653 13.475 1.00 0.00 N ATOM 63 CA THR A 12 3.915 -12.129 13.290 1.00 0.00 C ATOM 64 C THR A 12 2.991 -12.531 12.137 1.00 0.00 C ATOM 65 O THR A 12 2.968 -13.672 11.723 1.00 0.00 O ATOM 66 CB THR A 12 3.440 -12.807 14.578 1.00 0.00 C ATOM 67 OG1 THR A 12 3.909 -12.071 15.700 1.00 0.00 O ATOM 68 CG2 THR A 12 3.984 -14.236 14.637 1.00 0.00 C ATOM 0 H THR A 12 2.992 -10.262 13.749 1.00 0.00 H new ATOM 0 HA THR A 12 4.932 -12.443 13.057 1.00 0.00 H new ATOM 0 HB THR A 12 2.350 -12.836 14.593 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.604 -12.503 16.525 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.645 -14.717 15.555 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.622 -14.799 13.777 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.074 -14.211 14.622 1.00 0.00 H new ATOM 76 N ASN A 13 2.236 -11.608 11.602 1.00 0.00 N ATOM 77 CA ASN A 13 1.331 -11.959 10.476 1.00 0.00 C ATOM 78 C ASN A 13 1.351 -10.814 9.473 1.00 0.00 C ATOM 79 O ASN A 13 1.547 -9.669 9.833 1.00 0.00 O ATOM 80 CB ASN A 13 -0.093 -12.166 10.998 1.00 0.00 C ATOM 81 CG ASN A 13 -0.071 -13.144 12.176 1.00 0.00 C ATOM 82 OD1 ASN A 13 0.632 -14.240 12.087 1.00 0.00 O flip ATOM 83 ND2 ASN A 13 -0.701 -12.909 13.188 1.00 0.00 N flip ATOM 0 H ASN A 13 2.209 -10.632 11.896 1.00 0.00 H new ATOM 0 HA ASN A 13 1.664 -12.881 10.001 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.518 -11.213 11.312 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.730 -12.553 10.203 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.251 -12.053 13.259 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.680 -13.568 13.966 1.00 0.00 H new ATOM 90 N ALA A 14 1.167 -11.095 8.217 1.00 0.00 N ATOM 91 CA ALA A 14 1.202 -9.989 7.235 1.00 0.00 C ATOM 92 C ALA A 14 0.087 -8.997 7.549 1.00 0.00 C ATOM 93 O ALA A 14 0.188 -7.828 7.245 1.00 0.00 O ATOM 94 CB ALA A 14 1.039 -10.518 5.816 1.00 0.00 C ATOM 0 H ALA A 14 0.997 -12.025 7.835 1.00 0.00 H new ATOM 0 HA ALA A 14 2.169 -9.490 7.305 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.068 -9.686 5.112 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.849 -11.212 5.591 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.083 -11.035 5.728 1.00 0.00 H new ATOM 100 N VAL A 15 -0.971 -9.439 8.168 1.00 0.00 N ATOM 101 CA VAL A 15 -2.061 -8.487 8.503 1.00 0.00 C ATOM 102 C VAL A 15 -1.425 -7.260 9.154 1.00 0.00 C ATOM 103 O VAL A 15 -1.542 -6.144 8.665 1.00 0.00 O ATOM 104 CB VAL A 15 -3.049 -9.142 9.460 1.00 0.00 C ATOM 105 CG1 VAL A 15 -3.937 -8.060 10.071 1.00 0.00 C ATOM 106 CG2 VAL A 15 -3.911 -10.132 8.674 1.00 0.00 C ATOM 0 H VAL A 15 -1.126 -10.406 8.453 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.605 -8.197 7.604 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.518 -9.668 10.254 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.648 -8.518 10.758 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.318 -7.345 10.613 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.479 -7.544 9.279 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.623 -10.609 9.347 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.452 -9.601 7.890 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.273 -10.892 8.224 1.00 0.00 H new ATOM 116 N GLU A 16 -0.716 -7.456 10.234 1.00 0.00 N ATOM 117 CA GLU A 16 -0.045 -6.305 10.870 1.00 0.00 C ATOM 118 C GLU A 16 1.017 -5.823 9.888 1.00 0.00 C ATOM 119 O GLU A 16 1.237 -4.640 9.733 1.00 0.00 O ATOM 120 CB GLU A 16 0.585 -6.719 12.206 1.00 0.00 C ATOM 121 CG GLU A 16 -0.328 -7.725 12.910 1.00 0.00 C ATOM 122 CD GLU A 16 0.398 -9.065 13.043 1.00 0.00 C ATOM 123 OE1 GLU A 16 0.713 -9.648 12.019 1.00 0.00 O ATOM 124 OE2 GLU A 16 0.627 -9.485 14.165 1.00 0.00 O ATOM 0 H GLU A 16 -0.578 -8.356 10.693 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.755 -5.508 11.092 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.567 -7.160 12.036 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.734 -5.843 12.837 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.608 -7.351 13.895 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.251 -7.853 12.344 1.00 0.00 H new ATOM 131 N SER A 17 1.658 -6.731 9.184 1.00 0.00 N ATOM 132 CA SER A 17 2.668 -6.283 8.181 1.00 0.00 C ATOM 133 C SER A 17 2.041 -5.180 7.328 1.00 0.00 C ATOM 134 O SER A 17 2.550 -4.077 7.238 1.00 0.00 O ATOM 135 CB SER A 17 3.087 -7.432 7.274 1.00 0.00 C ATOM 136 OG SER A 17 3.710 -8.442 8.059 1.00 0.00 O ATOM 0 H SER A 17 1.527 -7.740 9.261 1.00 0.00 H new ATOM 0 HA SER A 17 3.552 -5.920 8.705 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.218 -7.840 6.758 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.774 -7.074 6.507 1.00 0.00 H new ATOM 0 HG SER A 17 3.083 -8.759 8.742 1.00 0.00 H new ATOM 142 N LYS A 18 0.920 -5.468 6.717 1.00 0.00 N ATOM 143 CA LYS A 18 0.233 -4.444 5.884 1.00 0.00 C ATOM 144 C LYS A 18 0.059 -3.187 6.721 1.00 0.00 C ATOM 145 O LYS A 18 0.664 -2.167 6.458 1.00 0.00 O ATOM 146 CB LYS A 18 -1.144 -4.973 5.450 1.00 0.00 C ATOM 147 CG LYS A 18 -2.068 -3.820 5.017 1.00 0.00 C ATOM 148 CD LYS A 18 -3.517 -4.313 5.026 1.00 0.00 C ATOM 149 CE LYS A 18 -4.473 -3.118 5.036 1.00 0.00 C ATOM 150 NZ LYS A 18 -4.426 -2.447 6.366 1.00 0.00 N ATOM 0 H LYS A 18 0.452 -6.373 6.762 1.00 0.00 H new ATOM 0 HA LYS A 18 0.822 -4.223 4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.024 -5.676 4.626 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.602 -5.521 6.273 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.954 -2.972 5.693 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.795 -3.472 4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.705 -4.933 4.149 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.692 -4.938 5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.197 -2.413 4.252 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.489 -3.451 4.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.956 -1.553 6.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.853 -3.068 7.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.437 -2.251 6.621 1.00 0.00 H new ATOM 164 N LEU A 19 -0.761 -3.260 7.734 1.00 0.00 N ATOM 165 CA LEU A 19 -0.981 -2.068 8.598 1.00 0.00 C ATOM 166 C LEU A 19 0.362 -1.392 8.880 1.00 0.00 C ATOM 167 O LEU A 19 0.494 -0.197 8.773 1.00 0.00 O ATOM 168 CB LEU A 19 -1.613 -2.512 9.917 1.00 0.00 C ATOM 169 CG LEU A 19 -2.983 -1.857 10.088 1.00 0.00 C ATOM 170 CD1 LEU A 19 -3.973 -2.465 9.092 1.00 0.00 C ATOM 171 CD2 LEU A 19 -3.484 -2.104 11.509 1.00 0.00 C ATOM 0 H LEU A 19 -1.287 -4.093 7.999 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.644 -1.365 8.093 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.715 -3.597 9.933 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.965 -2.240 10.750 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.898 -0.786 9.906 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.949 -1.996 9.217 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.616 -2.297 8.076 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.060 -3.536 9.273 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.461 -1.639 11.636 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.567 -3.177 11.684 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.781 -1.673 12.222 1.00 0.00 H new ATOM 183 N ALA A 20 1.364 -2.144 9.236 1.00 0.00 N ATOM 184 CA ALA A 20 2.688 -1.521 9.514 1.00 0.00 C ATOM 185 C ALA A 20 3.060 -0.597 8.352 1.00 0.00 C ATOM 186 O ALA A 20 3.282 0.587 8.533 1.00 0.00 O ATOM 187 CB ALA A 20 3.747 -2.613 9.658 1.00 0.00 C ATOM 0 H ALA A 20 1.325 -3.157 9.346 1.00 0.00 H new ATOM 0 HA ALA A 20 2.637 -0.946 10.439 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.715 -2.156 9.861 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.478 -3.275 10.481 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.804 -3.188 8.734 1.00 0.00 H new ATOM 193 N GLU A 21 3.128 -1.124 7.158 1.00 0.00 N ATOM 194 CA GLU A 21 3.485 -0.268 5.990 1.00 0.00 C ATOM 195 C GLU A 21 2.471 0.869 5.865 1.00 0.00 C ATOM 196 O GLU A 21 2.829 2.027 5.781 1.00 0.00 O ATOM 197 CB GLU A 21 3.474 -1.106 4.709 1.00 0.00 C ATOM 198 CG GLU A 21 4.910 -1.292 4.211 1.00 0.00 C ATOM 199 CD GLU A 21 5.043 -0.716 2.800 1.00 0.00 C ATOM 200 OE1 GLU A 21 4.021 -0.529 2.160 1.00 0.00 O ATOM 201 OE2 GLU A 21 6.162 -0.471 2.384 1.00 0.00 O ATOM 0 H GLU A 21 2.953 -2.105 6.942 1.00 0.00 H new ATOM 0 HA GLU A 21 4.482 0.146 6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.015 -2.076 4.900 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.873 -0.614 3.944 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.607 -0.794 4.885 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.170 -2.350 4.209 1.00 0.00 H new ATOM 208 N ILE A 22 1.206 0.550 5.865 1.00 0.00 N ATOM 209 CA ILE A 22 0.172 1.626 5.760 1.00 0.00 C ATOM 210 C ILE A 22 0.423 2.638 6.869 1.00 0.00 C ATOM 211 O ILE A 22 0.373 3.837 6.674 1.00 0.00 O ATOM 212 CB ILE A 22 -1.248 1.037 5.877 1.00 0.00 C ATOM 213 CG1 ILE A 22 -1.813 1.260 7.279 1.00 0.00 C ATOM 214 CG2 ILE A 22 -1.246 -0.456 5.545 1.00 0.00 C ATOM 215 CD1 ILE A 22 -3.157 0.557 7.404 1.00 0.00 C ATOM 0 H ILE A 22 0.842 -0.401 5.932 1.00 0.00 H new ATOM 0 HA ILE A 22 0.244 2.112 4.787 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.884 1.553 5.158 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.119 0.876 8.027 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.930 2.327 7.470 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.258 -0.850 5.634 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.888 -0.602 4.526 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.590 -0.982 6.238 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.559 0.717 8.404 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.849 0.962 6.666 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.026 -0.511 7.232 1.00 0.00 H new ATOM 227 N TRP A 23 0.683 2.141 8.032 1.00 0.00 N ATOM 228 CA TRP A 23 0.936 3.019 9.195 1.00 0.00 C ATOM 229 C TRP A 23 2.020 4.042 8.844 1.00 0.00 C ATOM 230 O TRP A 23 1.780 5.232 8.792 1.00 0.00 O ATOM 231 CB TRP A 23 1.437 2.168 10.358 1.00 0.00 C ATOM 232 CG TRP A 23 0.306 1.785 11.249 1.00 0.00 C ATOM 233 CD1 TRP A 23 -0.802 1.109 10.867 1.00 0.00 C ATOM 234 CD2 TRP A 23 0.163 2.037 12.671 1.00 0.00 C ATOM 235 NE1 TRP A 23 -1.613 0.928 11.970 1.00 0.00 N ATOM 236 CE2 TRP A 23 -1.060 1.484 13.107 1.00 0.00 C ATOM 237 CE3 TRP A 23 0.975 2.686 13.616 1.00 0.00 C ATOM 238 CZ2 TRP A 23 -1.467 1.573 14.437 1.00 0.00 C ATOM 239 CZ3 TRP A 23 0.569 2.779 14.955 1.00 0.00 C ATOM 240 CH2 TRP A 23 -0.650 2.223 15.364 1.00 0.00 C ATOM 0 H TRP A 23 0.732 1.142 8.232 1.00 0.00 H new ATOM 0 HA TRP A 23 0.014 3.534 9.465 1.00 0.00 H new ATOM 0 HB2 TRP A 23 1.927 1.272 9.976 1.00 0.00 H new ATOM 0 HB3 TRP A 23 2.184 2.722 10.926 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -1.017 0.767 9.865 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -2.510 0.443 11.948 1.00 0.00 H new ATOM 0 HE3 TRP A 23 1.917 3.116 13.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -2.407 1.142 14.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.199 3.282 15.674 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -0.958 2.297 16.397 1.00 0.00 H new ATOM 251 N GLU A 24 3.225 3.577 8.623 1.00 0.00 N ATOM 252 CA GLU A 24 4.346 4.516 8.297 1.00 0.00 C ATOM 253 C GLU A 24 4.011 5.315 7.035 1.00 0.00 C ATOM 254 O GLU A 24 4.067 6.527 7.026 1.00 0.00 O ATOM 255 CB GLU A 24 5.673 3.765 8.069 1.00 0.00 C ATOM 256 CG GLU A 24 5.462 2.249 8.048 1.00 0.00 C ATOM 257 CD GLU A 24 6.794 1.558 7.757 1.00 0.00 C ATOM 258 OE1 GLU A 24 7.715 1.738 8.538 1.00 0.00 O ATOM 259 OE2 GLU A 24 6.874 0.862 6.758 1.00 0.00 O ATOM 0 H GLU A 24 3.482 2.590 8.654 1.00 0.00 H new ATOM 0 HA GLU A 24 4.466 5.185 9.149 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.116 4.085 7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.379 4.024 8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.066 1.912 9.006 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.727 1.983 7.288 1.00 0.00 H new ATOM 266 N ARG A 25 3.680 4.648 5.968 1.00 0.00 N ATOM 267 CA ARG A 25 3.356 5.371 4.704 1.00 0.00 C ATOM 268 C ARG A 25 2.262 6.412 4.962 1.00 0.00 C ATOM 269 O ARG A 25 2.480 7.601 4.847 1.00 0.00 O ATOM 270 CB ARG A 25 2.866 4.362 3.659 1.00 0.00 C ATOM 271 CG ARG A 25 2.198 5.105 2.499 1.00 0.00 C ATOM 272 CD ARG A 25 1.857 4.115 1.383 1.00 0.00 C ATOM 273 NE ARG A 25 3.093 3.781 0.621 1.00 0.00 N ATOM 274 CZ ARG A 25 3.003 3.236 -0.564 1.00 0.00 C ATOM 275 NH1 ARG A 25 1.862 2.760 -0.979 1.00 0.00 N ATOM 276 NH2 ARG A 25 4.055 3.166 -1.335 1.00 0.00 N ATOM 0 H ARG A 25 3.619 3.631 5.914 1.00 0.00 H new ATOM 0 HA ARG A 25 4.249 5.878 4.339 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.704 3.770 3.290 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.160 3.667 4.113 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.293 5.603 2.846 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.863 5.881 2.120 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.422 3.210 1.806 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.111 4.546 0.716 1.00 0.00 H new ATOM 0 HE ARG A 25 4.009 3.978 1.024 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.039 2.813 -0.379 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.793 2.335 -1.904 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.949 3.537 -1.013 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.983 2.740 -2.259 1.00 0.00 H new ATOM 290 N VAL A 26 1.082 5.966 5.291 1.00 0.00 N ATOM 291 CA VAL A 26 -0.044 6.914 5.535 1.00 0.00 C ATOM 292 C VAL A 26 0.307 7.895 6.659 1.00 0.00 C ATOM 293 O VAL A 26 0.041 9.078 6.564 1.00 0.00 O ATOM 294 CB VAL A 26 -1.288 6.114 5.927 1.00 0.00 C ATOM 295 CG1 VAL A 26 -2.500 7.045 5.987 1.00 0.00 C ATOM 296 CG2 VAL A 26 -1.538 5.022 4.885 1.00 0.00 C ATOM 0 H VAL A 26 0.847 4.980 5.402 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.232 7.485 4.625 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.132 5.659 6.905 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.385 6.473 6.266 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.323 7.825 6.728 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.657 7.502 5.010 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.424 4.451 5.162 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.693 5.480 3.908 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.676 4.356 4.841 1.00 0.00 H new ATOM 306 N LEU A 27 0.883 7.420 7.728 1.00 0.00 N ATOM 307 CA LEU A 27 1.224 8.333 8.858 1.00 0.00 C ATOM 308 C LEU A 27 2.503 9.116 8.543 1.00 0.00 C ATOM 309 O LEU A 27 2.831 10.076 9.211 1.00 0.00 O ATOM 310 CB LEU A 27 1.411 7.505 10.128 1.00 0.00 C ATOM 311 CG LEU A 27 0.173 6.630 10.336 1.00 0.00 C ATOM 312 CD1 LEU A 27 0.425 5.648 11.480 1.00 0.00 C ATOM 313 CD2 LEU A 27 -1.028 7.517 10.678 1.00 0.00 C ATOM 0 H LEU A 27 1.133 6.441 7.869 1.00 0.00 H new ATOM 0 HA LEU A 27 0.414 9.048 9.004 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.302 6.883 10.045 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.558 8.160 10.987 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.035 6.074 9.422 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.458 5.026 11.627 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.278 5.015 11.235 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.635 6.202 12.395 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.910 6.894 10.826 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.820 8.075 11.591 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.210 8.214 9.860 1.00 0.00 H new ATOM 325 N GLY A 28 3.220 8.726 7.526 1.00 0.00 N ATOM 326 CA GLY A 28 4.466 9.464 7.165 1.00 0.00 C ATOM 327 C GLY A 28 5.571 9.177 8.185 1.00 0.00 C ATOM 328 O GLY A 28 6.167 10.081 8.737 1.00 0.00 O ATOM 0 H GLY A 28 2.999 7.929 6.929 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.796 9.168 6.169 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.265 10.535 7.129 1.00 0.00 H new ATOM 332 N VAL A 29 5.860 7.929 8.432 1.00 0.00 N ATOM 333 CA VAL A 29 6.942 7.595 9.407 1.00 0.00 C ATOM 334 C VAL A 29 7.790 6.457 8.843 1.00 0.00 C ATOM 335 O VAL A 29 7.557 5.980 7.751 1.00 0.00 O ATOM 336 CB VAL A 29 6.346 7.153 10.752 1.00 0.00 C ATOM 337 CG1 VAL A 29 7.015 7.936 11.882 1.00 0.00 C ATOM 338 CG2 VAL A 29 4.840 7.415 10.780 1.00 0.00 C ATOM 0 H VAL A 29 5.397 7.127 8.004 1.00 0.00 H new ATOM 0 HA VAL A 29 7.553 8.483 9.567 1.00 0.00 H new ATOM 0 HB VAL A 29 6.521 6.085 10.882 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.595 7.625 12.838 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.087 7.739 11.876 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.841 9.002 11.739 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.433 7.096 11.740 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.653 8.480 10.642 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.358 6.856 9.978 1.00 0.00 H new ATOM 348 N SER A 30 8.768 6.010 9.581 1.00 0.00 N ATOM 349 CA SER A 30 9.618 4.895 9.082 1.00 0.00 C ATOM 350 C SER A 30 10.012 3.992 10.251 1.00 0.00 C ATOM 351 O SER A 30 11.124 3.515 10.334 1.00 0.00 O ATOM 352 CB SER A 30 10.877 5.460 8.423 1.00 0.00 C ATOM 353 OG SER A 30 11.089 4.808 7.177 1.00 0.00 O ATOM 0 H SER A 30 9.014 6.367 10.504 1.00 0.00 H new ATOM 0 HA SER A 30 9.058 4.315 8.348 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.771 6.534 8.271 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.739 5.314 9.074 1.00 0.00 H new ATOM 0 HG SER A 30 11.894 5.169 6.752 1.00 0.00 H new ATOM 359 N GLY A 31 9.102 3.752 11.150 1.00 0.00 N ATOM 360 CA GLY A 31 9.416 2.875 12.314 1.00 0.00 C ATOM 361 C GLY A 31 8.116 2.281 12.861 1.00 0.00 C ATOM 362 O GLY A 31 7.671 1.240 12.420 1.00 0.00 O ATOM 0 H GLY A 31 8.153 4.125 11.131 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.095 2.078 12.011 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.923 3.448 13.090 1.00 0.00 H new ATOM 366 N ILE A 32 7.496 2.936 13.808 1.00 0.00 N ATOM 367 CA ILE A 32 6.222 2.406 14.368 1.00 0.00 C ATOM 368 C ILE A 32 6.454 1.008 14.946 1.00 0.00 C ATOM 369 O ILE A 32 7.294 0.262 14.484 1.00 0.00 O ATOM 370 CB ILE A 32 5.176 2.341 13.255 1.00 0.00 C ATOM 371 CG1 ILE A 32 5.043 3.722 12.612 1.00 0.00 C ATOM 372 CG2 ILE A 32 3.827 1.920 13.841 1.00 0.00 C ATOM 373 CD1 ILE A 32 4.635 3.565 11.147 1.00 0.00 C ATOM 0 H ILE A 32 7.818 3.814 14.216 1.00 0.00 H new ATOM 0 HA ILE A 32 5.869 3.063 15.163 1.00 0.00 H new ATOM 0 HB ILE A 32 5.485 1.613 12.505 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.300 4.314 13.146 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.988 4.260 12.682 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.083 1.874 13.046 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.922 0.938 14.305 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.513 2.647 14.590 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.540 4.549 10.688 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.394 2.990 10.617 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.679 3.044 11.089 1.00 0.00 H new ATOM 385 N GLY A 33 5.716 0.646 15.957 1.00 0.00 N ATOM 386 CA GLY A 33 5.893 -0.702 16.566 1.00 0.00 C ATOM 387 C GLY A 33 4.706 -1.593 16.192 1.00 0.00 C ATOM 388 O GLY A 33 4.059 -1.389 15.184 1.00 0.00 O ATOM 0 H GLY A 33 4.997 1.226 16.389 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.823 -1.151 16.216 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.969 -0.616 17.650 1.00 0.00 H new ATOM 392 N ILE A 34 4.418 -2.586 16.990 1.00 0.00 N ATOM 393 CA ILE A 34 3.278 -3.490 16.673 1.00 0.00 C ATOM 394 C ILE A 34 2.047 -3.081 17.478 1.00 0.00 C ATOM 395 O ILE A 34 1.017 -3.701 17.389 1.00 0.00 O ATOM 396 CB ILE A 34 3.659 -4.930 17.026 1.00 0.00 C ATOM 397 CG1 ILE A 34 3.716 -5.078 18.549 1.00 0.00 C ATOM 398 CG2 ILE A 34 5.033 -5.254 16.433 1.00 0.00 C ATOM 399 CD1 ILE A 34 4.269 -6.457 18.912 1.00 0.00 C ATOM 0 H ILE A 34 4.924 -2.809 17.847 1.00 0.00 H new ATOM 0 HA ILE A 34 3.050 -3.418 15.610 1.00 0.00 H new ATOM 0 HB ILE A 34 2.916 -5.615 16.618 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.347 -4.298 18.977 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.720 -4.951 18.974 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.305 -6.279 16.684 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.997 -5.143 15.349 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.777 -4.571 16.843 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.308 -6.559 19.996 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.621 -7.229 18.498 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.272 -6.566 18.501 1.00 0.00 H new ATOM 411 N LEU A 35 2.134 -2.033 18.245 1.00 0.00 N ATOM 412 CA LEU A 35 0.945 -1.591 19.026 1.00 0.00 C ATOM 413 C LEU A 35 1.155 -0.149 19.476 1.00 0.00 C ATOM 414 O LEU A 35 1.334 0.137 20.644 1.00 0.00 O ATOM 415 CB LEU A 35 0.740 -2.491 20.245 1.00 0.00 C ATOM 416 CG LEU A 35 -0.599 -2.146 20.900 1.00 0.00 C ATOM 417 CD1 LEU A 35 -1.426 -3.418 21.075 1.00 0.00 C ATOM 418 CD2 LEU A 35 -0.349 -1.508 22.269 1.00 0.00 C ATOM 0 H LEU A 35 2.972 -1.465 18.366 1.00 0.00 H new ATOM 0 HA LEU A 35 0.057 -1.658 18.397 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.754 -3.539 19.946 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.554 -2.352 20.957 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.142 -1.445 20.266 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.379 -3.171 21.542 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.606 -3.872 20.101 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.884 -4.120 21.708 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.303 -1.262 22.736 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.195 -2.208 22.903 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.239 -0.599 22.145 1.00 0.00 H new ATOM 430 N ASP A 36 1.136 0.760 18.545 1.00 0.00 N ATOM 431 CA ASP A 36 1.333 2.193 18.885 1.00 0.00 C ATOM 432 C ASP A 36 -0.022 2.888 18.973 1.00 0.00 C ATOM 433 O ASP A 36 -1.003 2.428 18.430 1.00 0.00 O ATOM 434 CB ASP A 36 2.143 2.857 17.772 1.00 0.00 C ATOM 435 CG ASP A 36 3.568 3.126 18.255 1.00 0.00 C ATOM 436 OD1 ASP A 36 3.833 2.887 19.422 1.00 0.00 O ATOM 437 OD2 ASP A 36 4.372 3.565 17.449 1.00 0.00 O ATOM 0 H ASP A 36 0.991 0.569 17.554 1.00 0.00 H new ATOM 0 HA ASP A 36 1.854 2.272 19.839 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.163 2.214 16.892 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.669 3.792 17.473 1.00 0.00 H new ATOM 442 N ASN A 37 -0.078 4.012 19.620 1.00 0.00 N ATOM 443 CA ASN A 37 -1.360 4.751 19.692 1.00 0.00 C ATOM 444 C ASN A 37 -1.403 5.685 18.483 1.00 0.00 C ATOM 445 O ASN A 37 -0.672 6.647 18.424 1.00 0.00 O ATOM 446 CB ASN A 37 -1.422 5.561 20.990 1.00 0.00 C ATOM 447 CG ASN A 37 -2.677 5.171 21.774 1.00 0.00 C ATOM 448 OD1 ASN A 37 -3.704 4.878 21.193 1.00 0.00 O ATOM 449 ND2 ASN A 37 -2.641 5.156 23.079 1.00 0.00 N ATOM 0 H ASN A 37 0.707 4.450 20.101 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.209 4.068 19.683 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.532 5.374 21.591 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.437 6.628 20.766 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.474 4.899 23.609 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.780 5.401 23.568 1.00 0.00 H new ATOM 456 N PHE A 38 -2.214 5.373 17.502 1.00 0.00 N ATOM 457 CA PHE A 38 -2.274 6.224 16.255 1.00 0.00 C ATOM 458 C PHE A 38 -1.990 7.697 16.577 1.00 0.00 C ATOM 459 O PHE A 38 -1.399 8.402 15.783 1.00 0.00 O ATOM 460 CB PHE A 38 -3.671 6.120 15.597 1.00 0.00 C ATOM 461 CG PHE A 38 -3.832 4.804 14.862 1.00 0.00 C ATOM 462 CD1 PHE A 38 -3.046 4.508 13.742 1.00 0.00 C ATOM 463 CD2 PHE A 38 -4.757 3.867 15.323 1.00 0.00 C ATOM 464 CE1 PHE A 38 -3.190 3.279 13.090 1.00 0.00 C ATOM 465 CE2 PHE A 38 -4.896 2.635 14.680 1.00 0.00 C ATOM 466 CZ PHE A 38 -4.113 2.338 13.565 1.00 0.00 C ATOM 0 H PHE A 38 -2.840 4.568 17.503 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.512 5.853 15.569 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.444 6.210 16.361 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.811 6.948 14.902 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.328 5.229 13.381 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.370 4.096 16.183 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.590 3.055 12.220 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.610 1.912 15.046 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.218 1.385 13.069 1.00 0.00 H new ATOM 476 N PHE A 39 -2.391 8.174 17.721 1.00 0.00 N ATOM 477 CA PHE A 39 -2.119 9.602 18.048 1.00 0.00 C ATOM 478 C PHE A 39 -0.897 9.700 18.961 1.00 0.00 C ATOM 479 O PHE A 39 -0.847 10.506 19.868 1.00 0.00 O ATOM 480 CB PHE A 39 -3.325 10.224 18.749 1.00 0.00 C ATOM 481 CG PHE A 39 -3.125 11.718 18.814 1.00 0.00 C ATOM 482 CD1 PHE A 39 -2.729 12.414 17.665 1.00 0.00 C ATOM 483 CD2 PHE A 39 -3.320 12.403 20.018 1.00 0.00 C ATOM 484 CE1 PHE A 39 -2.528 13.797 17.721 1.00 0.00 C ATOM 485 CE2 PHE A 39 -3.115 13.788 20.074 1.00 0.00 C ATOM 486 CZ PHE A 39 -2.719 14.483 18.924 1.00 0.00 C ATOM 0 H PHE A 39 -2.889 7.645 18.437 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.928 10.142 17.121 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.241 9.988 18.207 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.433 9.813 19.753 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.579 11.883 16.736 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.628 11.865 20.903 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.225 14.335 16.835 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.262 14.319 21.003 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.561 15.551 18.967 1.00 0.00 H new ATOM 496 N GLN A 40 0.090 8.883 18.724 1.00 0.00 N ATOM 497 CA GLN A 40 1.317 8.922 19.570 1.00 0.00 C ATOM 498 C GLN A 40 2.217 10.060 19.079 1.00 0.00 C ATOM 499 O GLN A 40 3.055 10.560 19.802 1.00 0.00 O ATOM 500 CB GLN A 40 2.074 7.582 19.433 1.00 0.00 C ATOM 501 CG GLN A 40 1.722 6.667 20.608 1.00 0.00 C ATOM 502 CD GLN A 40 2.437 7.156 21.868 1.00 0.00 C ATOM 503 OE1 GLN A 40 3.038 8.212 21.869 1.00 0.00 O ATOM 504 NE2 GLN A 40 2.399 6.427 22.951 1.00 0.00 N ATOM 0 H GLN A 40 0.101 8.187 17.978 1.00 0.00 H new ATOM 0 HA GLN A 40 1.045 9.083 20.613 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.810 7.099 18.492 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.149 7.761 19.409 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.644 6.661 20.768 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.016 5.641 20.385 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.895 5.540 22.951 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.873 6.744 23.796 1.00 0.00 H new ATOM 513 N ILE A 41 2.044 10.471 17.851 1.00 0.00 N ATOM 514 CA ILE A 41 2.879 11.574 17.303 1.00 0.00 C ATOM 515 C ILE A 41 2.344 11.969 15.923 1.00 0.00 C ATOM 516 O ILE A 41 3.075 12.011 14.954 1.00 0.00 O ATOM 517 CB ILE A 41 4.334 11.106 17.168 1.00 0.00 C ATOM 518 CG1 ILE A 41 4.375 9.587 16.969 1.00 0.00 C ATOM 519 CG2 ILE A 41 5.109 11.469 18.436 1.00 0.00 C ATOM 520 CD1 ILE A 41 5.455 9.232 15.945 1.00 0.00 C ATOM 0 H ILE A 41 1.357 10.087 17.203 1.00 0.00 H new ATOM 0 HA ILE A 41 2.838 12.430 17.977 1.00 0.00 H new ATOM 0 HB ILE A 41 4.788 11.597 16.307 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.582 9.091 17.917 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.404 9.229 16.627 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.142 11.136 18.339 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.088 12.549 18.579 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.650 10.981 19.295 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.483 8.151 15.805 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.228 9.715 14.995 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.425 9.576 16.305 1.00 0.00 H new ATOM 532 N GLY A 42 1.070 12.254 15.825 1.00 0.00 N ATOM 533 CA GLY A 42 0.495 12.637 14.503 1.00 0.00 C ATOM 534 C GLY A 42 -0.438 13.838 14.673 1.00 0.00 C ATOM 535 O GLY A 42 -0.144 14.768 15.396 1.00 0.00 O ATOM 0 H GLY A 42 0.407 12.238 16.600 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.296 12.882 13.805 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.053 11.796 14.077 1.00 0.00 H new ATOM 539 N GLY A 43 -1.563 13.822 14.010 1.00 0.00 N ATOM 540 CA GLY A 43 -2.519 14.962 14.131 1.00 0.00 C ATOM 541 C GLY A 43 -3.785 14.655 13.326 1.00 0.00 C ATOM 542 O GLY A 43 -3.723 14.242 12.186 1.00 0.00 O ATOM 0 H GLY A 43 -1.862 13.069 13.390 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.772 15.128 15.178 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.056 15.879 13.766 1.00 0.00 H new ATOM 546 N HIS A 44 -4.934 14.851 13.913 1.00 0.00 N ATOM 547 CA HIS A 44 -6.203 14.567 13.185 1.00 0.00 C ATOM 548 C HIS A 44 -6.344 13.054 12.986 1.00 0.00 C ATOM 549 O HIS A 44 -5.387 12.313 13.099 1.00 0.00 O ATOM 550 CB HIS A 44 -6.180 15.266 11.822 1.00 0.00 C ATOM 551 CG HIS A 44 -7.322 16.240 11.738 1.00 0.00 C ATOM 552 ND1 HIS A 44 -7.303 17.461 12.393 1.00 0.00 N ATOM 553 CD2 HIS A 44 -8.522 16.191 11.074 1.00 0.00 C ATOM 554 CE1 HIS A 44 -8.459 18.092 12.110 1.00 0.00 C ATOM 555 NE2 HIS A 44 -9.239 17.361 11.309 1.00 0.00 N ATOM 0 H HIS A 44 -5.049 15.196 14.866 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.048 14.938 13.765 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.233 15.787 11.685 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -6.257 14.529 11.022 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.860 15.368 10.461 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -8.723 19.070 12.485 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -10.161 17.607 10.948 1.00 0.00 H new ATOM 563 N SER A 45 -7.528 12.590 12.698 1.00 0.00 N ATOM 564 CA SER A 45 -7.726 11.124 12.500 1.00 0.00 C ATOM 565 C SER A 45 -7.631 10.784 11.011 1.00 0.00 C ATOM 566 O SER A 45 -7.578 9.632 10.631 1.00 0.00 O ATOM 567 CB SER A 45 -9.105 10.723 13.022 1.00 0.00 C ATOM 568 OG SER A 45 -8.967 9.631 13.921 1.00 0.00 O ATOM 0 H SER A 45 -8.367 13.160 12.591 1.00 0.00 H new ATOM 0 HA SER A 45 -6.954 10.581 13.044 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.575 11.567 13.526 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.754 10.446 12.192 1.00 0.00 H new ATOM 0 HG SER A 45 -9.699 9.649 14.573 1.00 0.00 H new ATOM 574 N LEU A 46 -7.611 11.774 10.163 1.00 0.00 N ATOM 575 CA LEU A 46 -7.521 11.499 8.702 1.00 0.00 C ATOM 576 C LEU A 46 -6.435 10.452 8.445 1.00 0.00 C ATOM 577 O LEU A 46 -6.691 9.399 7.895 1.00 0.00 O ATOM 578 CB LEU A 46 -7.167 12.795 7.967 1.00 0.00 C ATOM 579 CG LEU A 46 -8.046 12.937 6.724 1.00 0.00 C ATOM 580 CD1 LEU A 46 -7.781 11.766 5.777 1.00 0.00 C ATOM 581 CD2 LEU A 46 -9.519 12.935 7.138 1.00 0.00 C ATOM 0 H LEU A 46 -7.653 12.761 10.418 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.478 11.122 8.340 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.312 13.650 8.627 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.115 12.787 7.682 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.812 13.874 6.218 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.407 11.866 4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.732 11.767 5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.015 10.829 6.283 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.146 13.036 6.252 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.754 11.998 7.644 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.708 13.769 7.814 1.00 0.00 H new ATOM 593 N LYS A 47 -5.222 10.735 8.838 1.00 0.00 N ATOM 594 CA LYS A 47 -4.112 9.762 8.617 1.00 0.00 C ATOM 595 C LYS A 47 -4.555 8.361 9.048 1.00 0.00 C ATOM 596 O LYS A 47 -4.562 7.428 8.263 1.00 0.00 O ATOM 597 CB LYS A 47 -2.896 10.192 9.440 1.00 0.00 C ATOM 598 CG LYS A 47 -1.679 10.324 8.524 1.00 0.00 C ATOM 599 CD LYS A 47 -1.978 11.339 7.421 1.00 0.00 C ATOM 600 CE LYS A 47 -0.757 12.232 7.203 1.00 0.00 C ATOM 601 NZ LYS A 47 -1.078 13.274 6.187 1.00 0.00 N ATOM 0 H LYS A 47 -4.951 11.601 9.304 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.851 9.742 7.559 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.096 11.142 9.935 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.697 9.461 10.223 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.810 10.642 9.100 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.434 9.357 8.086 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.233 10.822 6.496 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.841 11.946 7.695 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.465 12.702 8.142 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.090 11.633 6.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.247 13.882 6.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.337 12.816 5.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.874 13.852 6.523 1.00 0.00 H new ATOM 615 N ALA A 48 -4.920 8.198 10.289 1.00 0.00 N ATOM 616 CA ALA A 48 -5.354 6.855 10.757 1.00 0.00 C ATOM 617 C ALA A 48 -6.536 6.388 9.911 1.00 0.00 C ATOM 618 O ALA A 48 -6.579 5.261 9.464 1.00 0.00 O ATOM 619 CB ALA A 48 -5.762 6.920 12.226 1.00 0.00 C ATOM 0 H ALA A 48 -4.936 8.934 10.995 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.529 6.151 10.654 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.078 5.932 12.560 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.914 7.251 12.825 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.586 7.624 12.344 1.00 0.00 H new ATOM 625 N MET A 49 -7.497 7.243 9.673 1.00 0.00 N ATOM 626 CA MET A 49 -8.654 6.820 8.839 1.00 0.00 C ATOM 627 C MET A 49 -8.081 6.161 7.588 1.00 0.00 C ATOM 628 O MET A 49 -8.454 5.062 7.226 1.00 0.00 O ATOM 629 CB MET A 49 -9.511 8.063 8.474 1.00 0.00 C ATOM 630 CG MET A 49 -10.775 7.729 7.622 1.00 0.00 C ATOM 631 SD MET A 49 -10.316 7.091 5.987 1.00 0.00 S ATOM 632 CE MET A 49 -11.126 5.475 6.131 1.00 0.00 C ATOM 0 H MET A 49 -7.529 8.203 10.016 1.00 0.00 H new ATOM 0 HA MET A 49 -9.299 6.120 9.369 1.00 0.00 H new ATOM 0 HB2 MET A 49 -9.824 8.559 9.393 1.00 0.00 H new ATOM 0 HB3 MET A 49 -8.891 8.771 7.925 1.00 0.00 H new ATOM 0 HG2 MET A 49 -11.384 6.992 8.145 1.00 0.00 H new ATOM 0 HG3 MET A 49 -11.386 8.624 7.507 1.00 0.00 H new ATOM 0 HE1 MET A 49 -11.550 5.193 5.167 1.00 0.00 H new ATOM 0 HE2 MET A 49 -10.395 4.728 6.438 1.00 0.00 H new ATOM 0 HE3 MET A 49 -11.921 5.532 6.874 1.00 0.00 H new ATOM 642 N ALA A 50 -7.150 6.811 6.941 1.00 0.00 N ATOM 643 CA ALA A 50 -6.531 6.196 5.740 1.00 0.00 C ATOM 644 C ALA A 50 -6.104 4.786 6.133 1.00 0.00 C ATOM 645 O ALA A 50 -6.514 3.812 5.537 1.00 0.00 O ATOM 646 CB ALA A 50 -5.315 7.015 5.307 1.00 0.00 C ATOM 0 H ALA A 50 -6.796 7.734 7.193 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.232 6.169 4.906 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.865 6.559 4.425 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.627 8.032 5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.585 7.038 6.116 1.00 0.00 H new ATOM 652 N VAL A 51 -5.309 4.675 7.165 1.00 0.00 N ATOM 653 CA VAL A 51 -4.878 3.345 7.646 1.00 0.00 C ATOM 654 C VAL A 51 -6.096 2.415 7.636 1.00 0.00 C ATOM 655 O VAL A 51 -6.130 1.412 6.943 1.00 0.00 O ATOM 656 CB VAL A 51 -4.351 3.504 9.079 1.00 0.00 C ATOM 657 CG1 VAL A 51 -3.711 2.206 9.558 1.00 0.00 C ATOM 658 CG2 VAL A 51 -3.309 4.621 9.115 1.00 0.00 C ATOM 0 H VAL A 51 -4.940 5.464 7.696 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.095 2.928 7.012 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.186 3.751 9.735 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.343 2.336 10.576 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.452 1.407 9.540 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.880 1.946 8.902 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.933 4.736 10.132 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.483 4.370 8.449 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.766 5.556 8.790 1.00 0.00 H new ATOM 668 N ALA A 52 -7.112 2.759 8.382 1.00 0.00 N ATOM 669 CA ALA A 52 -8.339 1.918 8.396 1.00 0.00 C ATOM 670 C ALA A 52 -8.752 1.657 6.952 1.00 0.00 C ATOM 671 O ALA A 52 -8.886 0.526 6.527 1.00 0.00 O ATOM 672 CB ALA A 52 -9.461 2.657 9.122 1.00 0.00 C ATOM 0 H ALA A 52 -7.143 3.585 8.980 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.145 0.977 8.912 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.358 2.038 9.130 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.155 2.866 10.147 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.672 3.595 8.607 1.00 0.00 H new ATOM 678 N ALA A 53 -8.931 2.697 6.182 1.00 0.00 N ATOM 679 CA ALA A 53 -9.307 2.502 4.759 1.00 0.00 C ATOM 680 C ALA A 53 -8.378 1.442 4.169 1.00 0.00 C ATOM 681 O ALA A 53 -8.815 0.472 3.584 1.00 0.00 O ATOM 682 CB ALA A 53 -9.139 3.820 4.000 1.00 0.00 C ATOM 0 H ALA A 53 -8.833 3.668 6.479 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.346 2.182 4.677 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.415 3.676 2.955 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.782 4.580 4.444 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.100 4.144 4.059 1.00 0.00 H new ATOM 688 N GLN A 54 -7.096 1.609 4.349 1.00 0.00 N ATOM 689 CA GLN A 54 -6.136 0.600 3.831 1.00 0.00 C ATOM 690 C GLN A 54 -6.647 -0.779 4.227 1.00 0.00 C ATOM 691 O GLN A 54 -6.574 -1.726 3.469 1.00 0.00 O ATOM 692 CB GLN A 54 -4.761 0.852 4.452 1.00 0.00 C ATOM 693 CG GLN A 54 -3.675 0.268 3.548 1.00 0.00 C ATOM 694 CD GLN A 54 -3.842 0.804 2.126 1.00 0.00 C ATOM 695 OE1 GLN A 54 -3.763 2.089 1.911 1.00 0.00 O flip ATOM 696 NE2 GLN A 54 -4.045 0.047 1.198 1.00 0.00 N flip ATOM 0 H GLN A 54 -6.674 2.402 4.833 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.048 0.666 2.747 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.601 1.922 4.585 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.709 0.397 5.441 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.689 0.530 3.932 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.737 -0.820 3.546 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.107 -0.958 1.364 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.153 0.416 0.253 1.00 0.00 H new ATOM 705 N VAL A 55 -7.185 -0.891 5.409 1.00 0.00 N ATOM 706 CA VAL A 55 -7.727 -2.203 5.859 1.00 0.00 C ATOM 707 C VAL A 55 -8.839 -2.637 4.898 1.00 0.00 C ATOM 708 O VAL A 55 -8.744 -3.650 4.232 1.00 0.00 O ATOM 709 CB VAL A 55 -8.301 -2.060 7.270 1.00 0.00 C ATOM 710 CG1 VAL A 55 -8.633 -3.445 7.825 1.00 0.00 C ATOM 711 CG2 VAL A 55 -7.273 -1.377 8.177 1.00 0.00 C ATOM 0 H VAL A 55 -7.273 -0.131 6.083 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.932 -2.949 5.867 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.207 -1.455 7.234 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.042 -3.346 8.830 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.367 -3.929 7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.727 -4.050 7.860 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.684 -1.276 9.181 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.365 -1.979 8.215 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.037 -0.389 7.781 1.00 0.00 H new ATOM 721 N HIS A 56 -9.892 -1.872 4.825 1.00 0.00 N ATOM 722 CA HIS A 56 -11.022 -2.218 3.916 1.00 0.00 C ATOM 723 C HIS A 56 -10.523 -2.318 2.474 1.00 0.00 C ATOM 724 O HIS A 56 -11.024 -3.093 1.686 1.00 0.00 O ATOM 725 CB HIS A 56 -12.083 -1.120 4.003 1.00 0.00 C ATOM 726 CG HIS A 56 -13.263 -1.491 3.149 1.00 0.00 C ATOM 727 ND1 HIS A 56 -13.445 -1.488 1.789 1.00 0.00 N flip ATOM 728 CD2 HIS A 56 -14.458 -1.935 3.691 1.00 0.00 C flip ATOM 729 CE1 HIS A 56 -14.732 -1.923 1.488 1.00 0.00 C flip ATOM 730 NE2 HIS A 56 -15.299 -2.180 2.670 1.00 0.00 N flip ATOM 0 H HIS A 56 -10.020 -1.014 5.361 1.00 0.00 H new ATOM 0 HA HIS A 56 -11.445 -3.177 4.216 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -12.398 -0.986 5.038 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -11.665 -0.169 3.671 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -14.675 -2.061 4.741 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -15.177 -2.030 0.510 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -16.254 -2.521 2.784 1.00 0.00 H new ATOM 738 N ARG A 57 -9.547 -1.533 2.116 1.00 0.00 N ATOM 739 CA ARG A 57 -9.029 -1.587 0.719 1.00 0.00 C ATOM 740 C ARG A 57 -8.192 -2.854 0.532 1.00 0.00 C ATOM 741 O ARG A 57 -8.251 -3.502 -0.496 1.00 0.00 O ATOM 742 CB ARG A 57 -8.169 -0.351 0.443 1.00 0.00 C ATOM 743 CG ARG A 57 -9.014 0.708 -0.266 1.00 0.00 C ATOM 744 CD ARG A 57 -8.348 2.079 -0.127 1.00 0.00 C ATOM 745 NE ARG A 57 -7.386 2.280 -1.248 1.00 0.00 N ATOM 746 CZ ARG A 57 -6.932 3.474 -1.514 1.00 0.00 C ATOM 747 NH1 ARG A 57 -6.530 4.251 -0.545 1.00 0.00 N ATOM 748 NH2 ARG A 57 -6.878 3.892 -2.748 1.00 0.00 N ATOM 0 H ARG A 57 -9.086 -0.858 2.726 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.866 -1.604 0.021 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.776 0.048 1.378 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.312 -0.621 -0.174 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.125 0.452 -1.320 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.016 0.735 0.163 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.103 2.865 -0.137 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.829 2.148 0.829 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.082 1.483 -1.808 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.571 3.925 0.421 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.175 5.184 -0.753 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.191 3.285 -3.506 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.523 4.826 -2.955 1.00 0.00 H new ATOM 762 N GLU A 58 -7.417 -3.218 1.517 1.00 0.00 N ATOM 763 CA GLU A 58 -6.582 -4.447 1.396 1.00 0.00 C ATOM 764 C GLU A 58 -7.458 -5.678 1.630 1.00 0.00 C ATOM 765 O GLU A 58 -7.385 -6.649 0.905 1.00 0.00 O ATOM 766 CB GLU A 58 -5.462 -4.403 2.438 1.00 0.00 C ATOM 767 CG GLU A 58 -4.101 -4.498 1.741 1.00 0.00 C ATOM 768 CD GLU A 58 -4.052 -3.517 0.567 1.00 0.00 C ATOM 769 OE1 GLU A 58 -4.356 -2.355 0.779 1.00 0.00 O ATOM 770 OE2 GLU A 58 -3.709 -3.946 -0.522 1.00 0.00 O ATOM 0 H GLU A 58 -7.326 -2.717 2.401 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.145 -4.499 0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.523 -3.479 3.012 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.577 -5.225 3.144 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.303 -4.273 2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.934 -5.515 1.385 1.00 0.00 H new ATOM 777 N TYR A 59 -8.294 -5.644 2.632 1.00 0.00 N ATOM 778 CA TYR A 59 -9.179 -6.813 2.901 1.00 0.00 C ATOM 779 C TYR A 59 -10.626 -6.435 2.592 1.00 0.00 C ATOM 780 O TYR A 59 -10.916 -5.351 2.136 1.00 0.00 O ATOM 781 CB TYR A 59 -9.108 -7.204 4.381 1.00 0.00 C ATOM 782 CG TYR A 59 -7.692 -7.122 4.890 1.00 0.00 C ATOM 783 CD1 TYR A 59 -6.864 -8.245 4.822 1.00 0.00 C ATOM 784 CD2 TYR A 59 -7.221 -5.933 5.454 1.00 0.00 C ATOM 785 CE1 TYR A 59 -5.560 -8.180 5.320 1.00 0.00 C ATOM 786 CE2 TYR A 59 -5.915 -5.865 5.949 1.00 0.00 C ATOM 787 CZ TYR A 59 -5.083 -6.991 5.883 1.00 0.00 C ATOM 788 OH TYR A 59 -3.797 -6.931 6.378 1.00 0.00 O ATOM 0 H TYR A 59 -8.402 -4.859 3.275 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.850 -7.644 2.277 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.748 -6.545 4.967 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.488 -8.217 4.513 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.231 -9.162 4.385 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.865 -5.068 5.507 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.920 -9.048 5.270 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.548 -4.946 6.382 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.159 -6.966 5.635 1.00 0.00 H new ATOM 798 N GLN A 60 -11.535 -7.316 2.883 1.00 0.00 N ATOM 799 CA GLN A 60 -12.971 -7.015 2.663 1.00 0.00 C ATOM 800 C GLN A 60 -13.624 -6.956 4.037 1.00 0.00 C ATOM 801 O GLN A 60 -14.787 -7.253 4.216 1.00 0.00 O ATOM 802 CB GLN A 60 -13.620 -8.112 1.815 1.00 0.00 C ATOM 803 CG GLN A 60 -15.057 -7.709 1.479 1.00 0.00 C ATOM 804 CD GLN A 60 -15.063 -6.299 0.885 1.00 0.00 C ATOM 805 OE1 GLN A 60 -14.199 -5.954 0.102 1.00 0.00 O ATOM 806 NE2 GLN A 60 -16.006 -5.465 1.225 1.00 0.00 N ATOM 0 H GLN A 60 -11.343 -8.241 3.268 1.00 0.00 H new ATOM 0 HA GLN A 60 -13.094 -6.072 2.131 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -13.049 -8.265 0.899 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.613 -9.058 2.356 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -15.489 -8.416 0.770 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -15.675 -7.740 2.377 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -16.731 -5.755 1.882 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.019 -4.523 0.834 1.00 0.00 H new ATOM 815 N VAL A 61 -12.850 -6.580 5.013 1.00 0.00 N ATOM 816 CA VAL A 61 -13.358 -6.499 6.404 1.00 0.00 C ATOM 817 C VAL A 61 -13.833 -5.075 6.696 1.00 0.00 C ATOM 818 O VAL A 61 -13.170 -4.110 6.371 1.00 0.00 O ATOM 819 CB VAL A 61 -12.221 -6.873 7.357 1.00 0.00 C ATOM 820 CG1 VAL A 61 -10.982 -6.033 7.036 1.00 0.00 C ATOM 821 CG2 VAL A 61 -12.652 -6.613 8.801 1.00 0.00 C ATOM 0 H VAL A 61 -11.870 -6.321 4.901 1.00 0.00 H new ATOM 0 HA VAL A 61 -14.196 -7.183 6.538 1.00 0.00 H new ATOM 0 HB VAL A 61 -11.984 -7.930 7.234 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -10.174 -6.302 7.716 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -10.670 -6.223 6.009 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -11.219 -4.976 7.154 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -11.840 -6.881 9.477 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.894 -5.557 8.924 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -13.530 -7.216 9.033 1.00 0.00 H new ATOM 831 N GLU A 62 -14.983 -4.940 7.295 1.00 0.00 N ATOM 832 CA GLU A 62 -15.513 -3.583 7.598 1.00 0.00 C ATOM 833 C GLU A 62 -14.748 -2.970 8.773 1.00 0.00 C ATOM 834 O GLU A 62 -14.970 -3.308 9.918 1.00 0.00 O ATOM 835 CB GLU A 62 -16.994 -3.690 7.963 1.00 0.00 C ATOM 836 CG GLU A 62 -17.759 -2.515 7.353 1.00 0.00 C ATOM 837 CD GLU A 62 -19.250 -2.854 7.302 1.00 0.00 C ATOM 838 OE1 GLU A 62 -19.568 -3.989 6.991 1.00 0.00 O ATOM 839 OE2 GLU A 62 -20.048 -1.973 7.578 1.00 0.00 O ATOM 0 H GLU A 62 -15.580 -5.714 7.588 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.390 -2.948 6.721 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -17.402 -4.632 7.597 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.113 -3.691 9.047 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.599 -1.615 7.946 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.387 -2.306 6.350 1.00 0.00 H new ATOM 846 N LEU A 63 -13.861 -2.056 8.495 1.00 0.00 N ATOM 847 CA LEU A 63 -13.090 -1.399 9.589 1.00 0.00 C ATOM 848 C LEU A 63 -13.436 0.095 9.595 1.00 0.00 C ATOM 849 O LEU A 63 -12.875 0.863 8.838 1.00 0.00 O ATOM 850 CB LEU A 63 -11.591 -1.582 9.346 1.00 0.00 C ATOM 851 CG LEU A 63 -10.849 -1.539 10.683 1.00 0.00 C ATOM 852 CD1 LEU A 63 -10.002 -2.803 10.843 1.00 0.00 C ATOM 853 CD2 LEU A 63 -9.940 -0.310 10.718 1.00 0.00 C ATOM 0 H LEU A 63 -13.635 -1.734 7.554 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.346 -1.846 10.549 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.406 -2.533 8.846 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.220 -0.797 8.687 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.572 -1.484 11.497 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.475 -2.769 11.796 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.649 -3.680 10.817 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.278 -2.861 10.030 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.410 -0.277 11.670 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.219 -0.368 9.903 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.543 0.591 10.607 1.00 0.00 H new ATOM 865 N PRO A 64 -14.372 0.457 10.435 1.00 0.00 N ATOM 866 CA PRO A 64 -14.843 1.847 10.551 1.00 0.00 C ATOM 867 C PRO A 64 -13.908 2.646 11.459 1.00 0.00 C ATOM 868 O PRO A 64 -13.059 2.092 12.128 1.00 0.00 O ATOM 869 CB PRO A 64 -16.224 1.697 11.194 1.00 0.00 C ATOM 870 CG PRO A 64 -16.220 0.335 11.931 1.00 0.00 C ATOM 871 CD PRO A 64 -15.047 -0.483 11.352 1.00 0.00 C ATOM 0 HA PRO A 64 -14.873 2.376 9.599 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.419 2.514 11.889 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.009 1.727 10.438 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.099 0.477 13.005 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -17.165 -0.187 11.783 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.374 -0.826 12.138 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -15.401 -1.369 10.825 1.00 0.00 H new ATOM 879 N LEU A 65 -14.056 3.943 11.497 1.00 0.00 N ATOM 880 CA LEU A 65 -13.169 4.754 12.372 1.00 0.00 C ATOM 881 C LEU A 65 -13.468 4.419 13.833 1.00 0.00 C ATOM 882 O LEU A 65 -12.577 4.338 14.652 1.00 0.00 O ATOM 883 CB LEU A 65 -13.398 6.252 12.118 1.00 0.00 C ATOM 884 CG LEU A 65 -12.767 6.697 10.781 1.00 0.00 C ATOM 885 CD1 LEU A 65 -12.276 8.137 10.910 1.00 0.00 C ATOM 886 CD2 LEU A 65 -11.568 5.821 10.408 1.00 0.00 C ATOM 0 H LEU A 65 -14.747 4.470 10.964 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.128 4.521 12.149 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.468 6.462 12.105 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.969 6.831 12.936 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.529 6.606 10.007 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.830 8.455 9.968 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.116 8.788 11.151 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.531 8.198 11.703 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.148 6.162 9.462 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.810 5.891 11.188 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.891 4.785 10.309 1.00 0.00 H new ATOM 898 N LYS A 66 -14.710 4.201 14.170 1.00 0.00 N ATOM 899 CA LYS A 66 -15.031 3.851 15.580 1.00 0.00 C ATOM 900 C LYS A 66 -14.159 2.663 15.978 1.00 0.00 C ATOM 901 O LYS A 66 -13.613 2.612 17.064 1.00 0.00 O ATOM 902 CB LYS A 66 -16.512 3.482 15.701 1.00 0.00 C ATOM 903 CG LYS A 66 -16.887 2.487 14.602 1.00 0.00 C ATOM 904 CD LYS A 66 -18.262 2.847 14.034 1.00 0.00 C ATOM 905 CE LYS A 66 -19.335 2.003 14.723 1.00 0.00 C ATOM 906 NZ LYS A 66 -20.394 2.897 15.272 1.00 0.00 N ATOM 0 H LYS A 66 -15.508 4.250 13.536 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.836 4.699 16.237 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.710 3.048 16.681 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.128 4.378 15.619 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.139 2.505 13.810 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.902 1.474 15.004 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.464 3.907 14.187 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.281 2.671 12.958 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.770 1.299 14.014 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.890 1.414 15.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.124 2.323 15.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.973 3.552 15.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.825 3.441 14.497 1.00 0.00 H new ATOM 920 N VAL A 67 -13.996 1.722 15.089 1.00 0.00 N ATOM 921 CA VAL A 67 -13.127 0.555 15.390 1.00 0.00 C ATOM 922 C VAL A 67 -11.698 1.072 15.533 1.00 0.00 C ATOM 923 O VAL A 67 -10.985 0.715 16.451 1.00 0.00 O ATOM 924 CB VAL A 67 -13.225 -0.455 14.242 1.00 0.00 C ATOM 925 CG1 VAL A 67 -11.995 -1.361 14.228 1.00 0.00 C ATOM 926 CG2 VAL A 67 -14.477 -1.317 14.430 1.00 0.00 C ATOM 0 H VAL A 67 -14.429 1.713 14.166 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.435 0.057 16.309 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.281 0.088 13.299 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.077 -2.074 13.408 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.099 -0.756 14.094 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.930 -1.901 15.173 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.549 -2.037 13.614 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.413 -1.849 15.379 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -15.361 -0.679 14.431 1.00 0.00 H new ATOM 936 N LEU A 68 -11.286 1.945 14.650 1.00 0.00 N ATOM 937 CA LEU A 68 -9.918 2.515 14.764 1.00 0.00 C ATOM 938 C LEU A 68 -9.818 3.183 16.133 1.00 0.00 C ATOM 939 O LEU A 68 -8.756 3.295 16.709 1.00 0.00 O ATOM 940 CB LEU A 68 -9.689 3.548 13.653 1.00 0.00 C ATOM 941 CG LEU A 68 -8.207 3.584 13.278 1.00 0.00 C ATOM 942 CD1 LEU A 68 -7.998 2.828 11.968 1.00 0.00 C ATOM 943 CD2 LEU A 68 -7.753 5.029 13.086 1.00 0.00 C ATOM 0 H LEU A 68 -11.837 2.284 13.861 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.162 1.736 14.661 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.289 3.295 12.779 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.013 4.533 13.987 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.628 3.121 14.077 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.942 2.852 11.698 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.318 1.793 12.090 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.585 3.298 11.179 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.696 5.046 12.819 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.336 5.491 12.289 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.902 5.583 14.013 1.00 0.00 H new ATOM 955 N PHE A 69 -10.936 3.605 16.667 1.00 0.00 N ATOM 956 CA PHE A 69 -10.934 4.242 18.011 1.00 0.00 C ATOM 957 C PHE A 69 -11.036 3.142 19.072 1.00 0.00 C ATOM 958 O PHE A 69 -10.461 3.233 20.137 1.00 0.00 O ATOM 959 CB PHE A 69 -12.126 5.190 18.140 1.00 0.00 C ATOM 960 CG PHE A 69 -11.746 6.558 17.618 1.00 0.00 C ATOM 961 CD1 PHE A 69 -11.490 6.741 16.253 1.00 0.00 C ATOM 962 CD2 PHE A 69 -11.652 7.643 18.498 1.00 0.00 C ATOM 963 CE1 PHE A 69 -11.139 8.006 15.768 1.00 0.00 C ATOM 964 CE2 PHE A 69 -11.301 8.910 18.012 1.00 0.00 C ATOM 965 CZ PHE A 69 -11.045 9.091 16.648 1.00 0.00 C ATOM 0 H PHE A 69 -11.852 3.534 16.225 1.00 0.00 H new ATOM 0 HA PHE A 69 -10.015 4.812 18.148 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -12.976 4.800 17.581 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -12.436 5.261 19.183 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.564 5.905 15.574 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -11.850 7.504 19.551 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -10.941 8.145 14.716 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -11.228 9.747 18.691 1.00 0.00 H new ATOM 0 HZ PHE A 69 -10.775 10.068 16.274 1.00 0.00 H new ATOM 975 N ALA A 70 -11.761 2.093 18.775 1.00 0.00 N ATOM 976 CA ALA A 70 -11.898 0.967 19.746 1.00 0.00 C ATOM 977 C ALA A 70 -10.553 0.257 19.866 1.00 0.00 C ATOM 978 O ALA A 70 -10.257 -0.396 20.846 1.00 0.00 O ATOM 979 CB ALA A 70 -12.928 -0.040 19.218 1.00 0.00 C ATOM 0 H ALA A 70 -12.266 1.968 17.897 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.217 1.355 20.713 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -13.029 -0.863 19.926 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -13.892 0.455 19.097 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -12.596 -0.429 18.255 1.00 0.00 H new ATOM 985 N GLN A 71 -9.760 0.357 18.842 1.00 0.00 N ATOM 986 CA GLN A 71 -8.442 -0.333 18.828 1.00 0.00 C ATOM 987 C GLN A 71 -7.526 0.439 17.879 1.00 0.00 C ATOM 988 O GLN A 71 -7.170 -0.048 16.825 1.00 0.00 O ATOM 989 CB GLN A 71 -8.635 -1.777 18.329 1.00 0.00 C ATOM 990 CG GLN A 71 -10.138 -2.051 18.142 1.00 0.00 C ATOM 991 CD GLN A 71 -10.374 -3.255 17.246 1.00 0.00 C ATOM 992 OE1 GLN A 71 -9.469 -4.012 16.958 1.00 0.00 O ATOM 993 NE2 GLN A 71 -11.579 -3.452 16.790 1.00 0.00 N ATOM 0 H GLN A 71 -9.970 0.895 18.001 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.003 -0.366 19.825 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.107 -1.923 17.387 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.211 -2.482 19.044 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.602 -2.222 19.113 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.618 -1.174 17.709 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.330 -2.809 17.039 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.771 -4.249 16.184 1.00 0.00 H new ATOM 1002 N PRO A 72 -7.204 1.643 18.274 1.00 0.00 N ATOM 1003 CA PRO A 72 -6.365 2.547 17.471 1.00 0.00 C ATOM 1004 C PRO A 72 -4.888 2.151 17.503 1.00 0.00 C ATOM 1005 O PRO A 72 -4.037 2.964 17.805 1.00 0.00 O ATOM 1006 CB PRO A 72 -6.564 3.913 18.139 1.00 0.00 C ATOM 1007 CG PRO A 72 -7.048 3.631 19.579 1.00 0.00 C ATOM 1008 CD PRO A 72 -7.641 2.211 19.569 1.00 0.00 C ATOM 0 HA PRO A 72 -6.644 2.529 16.418 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.633 4.480 18.147 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.296 4.509 17.593 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.222 3.702 20.287 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.796 4.362 19.887 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -7.273 1.620 20.407 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.728 2.233 19.648 1.00 0.00 H new ATOM 1016 N THR A 73 -4.556 0.932 17.178 1.00 0.00 N ATOM 1017 CA THR A 73 -3.115 0.564 17.189 1.00 0.00 C ATOM 1018 C THR A 73 -2.825 -0.586 16.205 1.00 0.00 C ATOM 1019 O THR A 73 -3.722 -1.187 15.643 1.00 0.00 O ATOM 1020 CB THR A 73 -2.703 0.198 18.612 1.00 0.00 C ATOM 1021 OG1 THR A 73 -1.295 0.050 18.682 1.00 0.00 O ATOM 1022 CG2 THR A 73 -3.385 -1.098 19.018 1.00 0.00 C ATOM 0 H THR A 73 -5.204 0.191 16.911 1.00 0.00 H new ATOM 0 HA THR A 73 -2.524 1.418 16.858 1.00 0.00 H new ATOM 0 HB THR A 73 -3.007 0.992 19.294 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.864 0.782 18.194 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.092 -1.361 20.034 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.466 -0.969 18.974 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.087 -1.895 18.337 1.00 0.00 H new ATOM 1030 N ILE A 74 -1.560 -0.859 15.980 1.00 0.00 N ATOM 1031 CA ILE A 74 -1.148 -1.923 15.015 1.00 0.00 C ATOM 1032 C ILE A 74 -1.688 -3.299 15.421 1.00 0.00 C ATOM 1033 O ILE A 74 -2.558 -3.848 14.775 1.00 0.00 O ATOM 1034 CB ILE A 74 0.385 -1.962 14.962 1.00 0.00 C ATOM 1035 CG1 ILE A 74 0.890 -0.782 14.128 1.00 0.00 C ATOM 1036 CG2 ILE A 74 0.861 -3.273 14.328 1.00 0.00 C ATOM 1037 CD1 ILE A 74 0.597 -1.034 12.647 1.00 0.00 C ATOM 0 H ILE A 74 -0.784 -0.378 16.435 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.563 -1.687 14.035 1.00 0.00 H new ATOM 0 HB ILE A 74 0.778 -1.897 15.976 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.406 0.139 14.453 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.961 -0.649 14.279 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.950 -3.287 14.297 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.504 -4.115 14.921 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.468 -3.351 13.314 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.958 -0.192 12.056 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.102 -1.945 12.326 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.478 -1.145 12.502 1.00 0.00 H new ATOM 1049 N LYS A 75 -1.156 -3.877 16.457 1.00 0.00 N ATOM 1050 CA LYS A 75 -1.617 -5.236 16.866 1.00 0.00 C ATOM 1051 C LYS A 75 -3.141 -5.274 16.961 1.00 0.00 C ATOM 1052 O LYS A 75 -3.781 -6.113 16.369 1.00 0.00 O ATOM 1053 CB LYS A 75 -1.027 -5.608 18.231 1.00 0.00 C ATOM 1054 CG LYS A 75 -0.727 -7.110 18.264 1.00 0.00 C ATOM 1055 CD LYS A 75 -1.232 -7.708 19.579 1.00 0.00 C ATOM 1056 CE LYS A 75 -0.281 -8.821 20.029 1.00 0.00 C ATOM 1057 NZ LYS A 75 -1.050 -10.078 20.250 1.00 0.00 N ATOM 0 H LYS A 75 -0.423 -3.472 17.040 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.280 -5.949 16.114 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.115 -5.040 18.412 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.727 -5.348 19.025 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.207 -7.605 17.420 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.345 -7.279 18.165 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.292 -6.934 20.344 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.239 -8.105 19.448 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.489 -8.982 19.275 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.228 -8.528 20.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.402 -10.832 20.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.769 -9.920 20.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.516 -10.360 19.364 1.00 0.00 H new ATOM 1071 N ALA A 76 -3.726 -4.384 17.714 1.00 0.00 N ATOM 1072 CA ALA A 76 -5.210 -4.389 17.861 1.00 0.00 C ATOM 1073 C ALA A 76 -5.880 -4.360 16.491 1.00 0.00 C ATOM 1074 O ALA A 76 -6.518 -5.308 16.082 1.00 0.00 O ATOM 1075 CB ALA A 76 -5.653 -3.158 18.654 1.00 0.00 C ATOM 0 H ALA A 76 -3.241 -3.653 18.234 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.503 -5.298 18.387 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.738 -3.164 18.760 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.192 -3.176 19.642 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.345 -2.255 18.126 1.00 0.00 H new ATOM 1081 N LEU A 77 -5.755 -3.273 15.784 1.00 0.00 N ATOM 1082 CA LEU A 77 -6.404 -3.190 14.448 1.00 0.00 C ATOM 1083 C LEU A 77 -5.978 -4.389 13.604 1.00 0.00 C ATOM 1084 O LEU A 77 -6.797 -5.179 13.174 1.00 0.00 O ATOM 1085 CB LEU A 77 -5.986 -1.897 13.759 1.00 0.00 C ATOM 1086 CG LEU A 77 -7.163 -1.356 12.952 1.00 0.00 C ATOM 1087 CD1 LEU A 77 -7.675 -0.063 13.589 1.00 0.00 C ATOM 1088 CD2 LEU A 77 -6.702 -1.074 11.525 1.00 0.00 C ATOM 0 H LEU A 77 -5.235 -2.444 16.071 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.488 -3.198 14.565 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.669 -1.162 14.499 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.134 -2.079 13.104 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.967 -2.092 12.941 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.515 0.320 13.010 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.000 -0.264 14.610 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.875 0.678 13.602 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.538 -0.687 10.942 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.899 -0.337 11.541 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.339 -1.996 11.071 1.00 0.00 H new ATOM 1100 N ALA A 78 -4.703 -4.542 13.373 1.00 0.00 N ATOM 1101 CA ALA A 78 -4.238 -5.703 12.571 1.00 0.00 C ATOM 1102 C ALA A 78 -4.957 -6.951 13.080 1.00 0.00 C ATOM 1103 O ALA A 78 -5.454 -7.750 12.318 1.00 0.00 O ATOM 1104 CB ALA A 78 -2.726 -5.871 12.737 1.00 0.00 C ATOM 0 H ALA A 78 -3.969 -3.916 13.704 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.458 -5.547 11.515 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.388 -6.723 12.148 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.220 -4.969 12.394 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.492 -6.041 13.788 1.00 0.00 H new ATOM 1110 N GLN A 79 -5.032 -7.105 14.371 1.00 0.00 N ATOM 1111 CA GLN A 79 -5.734 -8.283 14.951 1.00 0.00 C ATOM 1112 C GLN A 79 -7.207 -8.237 14.523 1.00 0.00 C ATOM 1113 O GLN A 79 -7.785 -9.239 14.155 1.00 0.00 O ATOM 1114 CB GLN A 79 -5.601 -8.223 16.480 1.00 0.00 C ATOM 1115 CG GLN A 79 -6.850 -8.781 17.172 1.00 0.00 C ATOM 1116 CD GLN A 79 -7.018 -10.257 16.810 1.00 0.00 C ATOM 1117 OE1 GLN A 79 -7.971 -10.627 16.155 1.00 0.00 O ATOM 1118 NE2 GLN A 79 -6.128 -11.121 17.216 1.00 0.00 N ATOM 0 H GLN A 79 -4.634 -6.461 15.055 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.298 -9.217 14.596 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -4.725 -8.791 16.793 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.440 -7.191 16.793 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.761 -8.669 18.253 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.731 -8.218 16.865 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -5.328 -10.809 17.766 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.233 -12.109 16.983 1.00 0.00 H new ATOM 1127 N TYR A 80 -7.813 -7.083 14.559 1.00 0.00 N ATOM 1128 CA TYR A 80 -9.240 -6.986 14.139 1.00 0.00 C ATOM 1129 C TYR A 80 -9.374 -7.528 12.721 1.00 0.00 C ATOM 1130 O TYR A 80 -10.371 -8.115 12.353 1.00 0.00 O ATOM 1131 CB TYR A 80 -9.687 -5.527 14.146 1.00 0.00 C ATOM 1132 CG TYR A 80 -11.189 -5.470 14.284 1.00 0.00 C ATOM 1133 CD1 TYR A 80 -11.843 -6.293 15.210 1.00 0.00 C ATOM 1134 CD2 TYR A 80 -11.926 -4.594 13.482 1.00 0.00 C ATOM 1135 CE1 TYR A 80 -13.236 -6.235 15.334 1.00 0.00 C ATOM 1136 CE2 TYR A 80 -13.319 -4.537 13.604 1.00 0.00 C ATOM 1137 CZ TYR A 80 -13.974 -5.358 14.530 1.00 0.00 C ATOM 1138 OH TYR A 80 -15.349 -5.301 14.649 1.00 0.00 O ATOM 0 H TYR A 80 -7.385 -6.207 14.859 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.858 -7.560 14.830 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.213 -4.993 14.970 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -9.375 -5.034 13.225 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -11.273 -6.971 15.827 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -11.420 -3.961 12.768 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -13.741 -6.867 16.050 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -13.888 -3.860 12.984 1.00 0.00 H new ATOM 0 HH TYR A 80 -15.705 -4.640 14.019 1.00 0.00 H new ATOM 1148 N VAL A 81 -8.367 -7.326 11.925 1.00 0.00 N ATOM 1149 CA VAL A 81 -8.408 -7.818 10.515 1.00 0.00 C ATOM 1150 C VAL A 81 -7.911 -9.253 10.480 1.00 0.00 C ATOM 1151 O VAL A 81 -8.597 -10.171 10.079 1.00 0.00 O ATOM 1152 CB VAL A 81 -7.459 -6.988 9.629 1.00 0.00 C ATOM 1153 CG1 VAL A 81 -8.181 -6.576 8.354 1.00 0.00 C ATOM 1154 CG2 VAL A 81 -6.977 -5.741 10.374 1.00 0.00 C ATOM 0 H VAL A 81 -7.510 -6.839 12.187 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.432 -7.737 10.150 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.592 -7.599 9.378 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.508 -5.989 7.728 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.497 -7.467 7.811 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.055 -5.977 8.608 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.308 -5.169 9.731 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.834 -5.125 10.645 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.445 -6.040 11.277 1.00 0.00 H new ATOM 1164 N ALA A 82 -6.695 -9.421 10.885 1.00 0.00 N ATOM 1165 CA ALA A 82 -6.051 -10.752 10.889 1.00 0.00 C ATOM 1166 C ALA A 82 -6.910 -11.767 11.652 1.00 0.00 C ATOM 1167 O ALA A 82 -7.058 -12.898 11.236 1.00 0.00 O ATOM 1168 CB ALA A 82 -4.691 -10.589 11.556 1.00 0.00 C ATOM 0 H ALA A 82 -6.100 -8.666 11.225 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.939 -11.128 9.872 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.180 -11.551 11.580 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.092 -9.874 10.992 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.827 -10.225 12.574 1.00 0.00 H new ATOM 1174 N THR A 83 -7.478 -11.381 12.760 1.00 0.00 N ATOM 1175 CA THR A 83 -8.324 -12.336 13.531 1.00 0.00 C ATOM 1176 C THR A 83 -9.482 -11.582 14.186 1.00 0.00 C ATOM 1177 O THR A 83 -10.088 -12.138 15.088 1.00 0.00 O ATOM 1178 CB THR A 83 -7.480 -13.016 14.612 1.00 0.00 C ATOM 1179 OG1 THR A 83 -6.104 -12.762 14.368 1.00 0.00 O ATOM 1180 CG2 THR A 83 -7.735 -14.524 14.590 1.00 0.00 C ATOM 0 H THR A 83 -7.394 -10.449 13.165 1.00 0.00 H new ATOM 0 HA THR A 83 -8.721 -13.092 12.854 1.00 0.00 H new ATOM 0 HB THR A 83 -7.755 -12.619 15.589 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.563 -13.196 15.061 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.133 -15.006 15.360 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.791 -14.717 14.780 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.463 -14.925 13.613 1.00 0.00 H new TER 1188 THR A 83