USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 741 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 82 CYS SG : rot 133:sc= -3.6 USER MOD Set 1.2: A 93 SER OG : rot 113:sc= 1.07 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 11 GLN : amide:sc= -0.0176 X(o=-0.018,f=0) USER MOD Single : A 13 SER OG : rot 49:sc= 0.532 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -6.97! C(o=-7!,f=-12!) USER MOD Single : A 19 TYR OH : rot -53:sc= -1.5! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -130:sc= -0.0443 USER MOD Single : A 23 TYR OH : rot -10:sc= 0.0548 USER MOD Single : A 25 GLN : amide:sc=-0.00446 X(o=-0.0045,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.0235 X(o=-0.024,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0522 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -84:sc= 0.319! USER MOD Single : A 55 LYS NZ :NH3+ 155:sc= -0.0271 (180deg=-0.26) USER MOD Single : A 62 THR OG1 : rot 4:sc= 0.557 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.32 K(o=-0.32,f=-1.2) USER MOD Single : A 84 GLN : amide:sc= -0.802 K(o=-0.8,f=-3.1!) USER MOD Single : A 85 ASN : amide:sc= -2.37! C(o=-2.4!,f=-3.8!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -74:sc= 1.03 USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=-0.099) USER MOD ----------------------------------------------------------------- ATOM 31 N LEU A 9 -0.472 -3.509 -4.746 1.00 0.00 N ATOM 32 CA LEU A 9 -1.499 -4.462 -4.363 1.00 0.00 C ATOM 33 C LEU A 9 -0.908 -5.475 -3.380 1.00 0.00 C ATOM 34 O LEU A 9 -1.595 -5.935 -2.469 1.00 0.00 O ATOM 35 CB LEU A 9 -2.126 -5.102 -5.603 1.00 0.00 C ATOM 36 CG LEU A 9 -2.680 -4.133 -6.650 1.00 0.00 C ATOM 37 CD1 LEU A 9 -3.495 -4.878 -7.709 1.00 0.00 C ATOM 38 CD2 LEU A 9 -3.488 -3.014 -5.989 1.00 0.00 C ATOM 0 HA LEU A 9 -2.315 -3.956 -3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.376 -5.732 -6.081 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.934 -5.758 -5.280 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.839 -3.665 -7.161 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.877 -4.167 -8.441 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.859 -5.608 -8.210 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.330 -5.391 -7.231 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.870 -2.340 -6.755 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.323 -3.445 -5.436 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.848 -2.459 -5.304 1.00 0.00 H new ATOM 50 N THR A 10 0.359 -5.793 -3.599 1.00 0.00 N ATOM 51 CA THR A 10 1.051 -6.744 -2.744 1.00 0.00 C ATOM 52 C THR A 10 0.814 -6.406 -1.271 1.00 0.00 C ATOM 53 O THR A 10 0.381 -7.258 -0.497 1.00 0.00 O ATOM 54 CB THR A 10 2.529 -6.745 -3.138 1.00 0.00 C ATOM 55 OG1 THR A 10 2.785 -5.399 -3.529 1.00 0.00 O ATOM 56 CG2 THR A 10 2.797 -7.559 -4.405 1.00 0.00 C ATOM 0 H THR A 10 0.925 -5.409 -4.356 1.00 0.00 H new ATOM 0 HA THR A 10 0.664 -7.754 -2.879 1.00 0.00 H new ATOM 0 HB THR A 10 3.123 -7.146 -2.317 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.723 -5.309 -3.799 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.861 -7.527 -4.640 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.492 -8.593 -4.244 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.229 -7.138 -5.235 1.00 0.00 H new ATOM 64 N GLN A 11 1.109 -5.161 -0.928 1.00 0.00 N ATOM 65 CA GLN A 11 0.934 -4.700 0.439 1.00 0.00 C ATOM 66 C GLN A 11 -0.546 -4.447 0.728 1.00 0.00 C ATOM 67 O GLN A 11 -1.000 -4.621 1.858 1.00 0.00 O ATOM 68 CB GLN A 11 1.767 -3.444 0.705 1.00 0.00 C ATOM 69 CG GLN A 11 2.933 -3.749 1.648 1.00 0.00 C ATOM 70 CD GLN A 11 2.882 -2.857 2.890 1.00 0.00 C ATOM 71 OE1 GLN A 11 3.047 -1.650 2.826 1.00 0.00 O ATOM 72 NE2 GLN A 11 2.644 -3.517 4.020 1.00 0.00 N ATOM 0 H GLN A 11 1.468 -4.457 -1.573 1.00 0.00 H new ATOM 0 HA GLN A 11 1.288 -5.480 1.113 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.150 -3.051 -0.237 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.135 -2.670 1.140 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.899 -4.797 1.947 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.877 -3.597 1.125 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.515 -4.529 4.002 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.590 -3.011 4.904 1.00 0.00 H new ATOM 81 N LEU A 12 -1.259 -4.040 -0.312 1.00 0.00 N ATOM 82 CA LEU A 12 -2.679 -3.762 -0.184 1.00 0.00 C ATOM 83 C LEU A 12 -3.363 -4.935 0.521 1.00 0.00 C ATOM 84 O LEU A 12 -4.206 -4.733 1.394 1.00 0.00 O ATOM 85 CB LEU A 12 -3.285 -3.427 -1.548 1.00 0.00 C ATOM 86 CG LEU A 12 -4.652 -2.740 -1.525 1.00 0.00 C ATOM 87 CD1 LEU A 12 -5.701 -3.630 -0.854 1.00 0.00 C ATOM 88 CD2 LEU A 12 -4.563 -1.363 -0.865 1.00 0.00 C ATOM 0 H LEU A 12 -0.879 -3.896 -1.248 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.839 -2.880 0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.587 -2.785 -2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.374 -4.350 -2.120 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.973 -2.583 -2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.664 -3.119 -0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.790 -4.566 -1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.398 -3.840 0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.548 -0.897 -0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.210 -1.473 0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.867 -0.737 -1.423 1.00 0.00 H new ATOM 100 N SER A 13 -2.974 -6.135 0.116 1.00 0.00 N ATOM 101 CA SER A 13 -3.539 -7.340 0.699 1.00 0.00 C ATOM 102 C SER A 13 -2.751 -8.566 0.233 1.00 0.00 C ATOM 103 O SER A 13 -3.320 -9.496 -0.337 1.00 0.00 O ATOM 104 CB SER A 13 -5.017 -7.489 0.331 1.00 0.00 C ATOM 105 OG SER A 13 -5.875 -7.039 1.376 1.00 0.00 O ATOM 0 H SER A 13 -2.275 -6.299 -0.608 1.00 0.00 H new ATOM 0 HA SER A 13 -3.468 -7.261 1.784 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.223 -6.922 -0.577 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.232 -8.534 0.110 1.00 0.00 H new ATOM 0 HG SER A 13 -5.588 -6.151 1.675 1.00 0.00 H new ATOM 111 N SER A 14 -1.452 -8.527 0.492 1.00 0.00 N ATOM 112 CA SER A 14 -0.579 -9.623 0.106 1.00 0.00 C ATOM 113 C SER A 14 -0.661 -9.850 -1.405 1.00 0.00 C ATOM 114 O SER A 14 -0.247 -10.896 -1.902 1.00 0.00 O ATOM 115 CB SER A 14 -0.942 -10.907 0.856 1.00 0.00 C ATOM 116 OG SER A 14 0.104 -11.331 1.726 1.00 0.00 O ATOM 0 H SER A 14 -0.983 -7.754 0.964 1.00 0.00 H new ATOM 0 HA SER A 14 0.444 -9.356 0.372 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.851 -10.744 1.435 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.159 -11.698 0.138 1.00 0.00 H new ATOM 0 HG SER A 14 -0.167 -12.152 2.187 1.00 0.00 H new ATOM 122 N GLY A 15 -1.197 -8.853 -2.093 1.00 0.00 N ATOM 123 CA GLY A 15 -1.338 -8.931 -3.537 1.00 0.00 C ATOM 124 C GLY A 15 -2.463 -9.892 -3.927 1.00 0.00 C ATOM 125 O GLY A 15 -2.377 -10.572 -4.949 1.00 0.00 O ATOM 0 H GLY A 15 -1.539 -7.987 -1.677 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.546 -7.940 -3.940 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.400 -9.265 -3.980 1.00 0.00 H new ATOM 129 N ASN A 16 -3.492 -9.917 -3.093 1.00 0.00 N ATOM 130 CA ASN A 16 -4.632 -10.784 -3.338 1.00 0.00 C ATOM 131 C ASN A 16 -5.159 -10.539 -4.753 1.00 0.00 C ATOM 132 O ASN A 16 -5.668 -9.460 -5.052 1.00 0.00 O ATOM 133 CB ASN A 16 -5.767 -10.492 -2.354 1.00 0.00 C ATOM 134 CG ASN A 16 -6.543 -11.767 -2.017 1.00 0.00 C ATOM 135 OD1 ASN A 16 -6.465 -12.772 -2.705 1.00 0.00 O ATOM 136 ND2 ASN A 16 -7.293 -11.671 -0.924 1.00 0.00 N ATOM 0 H ASN A 16 -3.560 -9.351 -2.247 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.304 -11.816 -3.215 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -5.359 -10.059 -1.441 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.444 -9.753 -2.783 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.849 -12.469 -0.615 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.313 -10.800 -0.394 1.00 0.00 H new ATOM 143 N PRO A 17 -5.015 -11.586 -5.609 1.00 0.00 N ATOM 144 CA PRO A 17 -5.470 -11.495 -6.986 1.00 0.00 C ATOM 145 C PRO A 17 -6.994 -11.594 -7.067 1.00 0.00 C ATOM 146 O PRO A 17 -7.594 -11.198 -8.066 1.00 0.00 O ATOM 147 CB PRO A 17 -4.762 -12.628 -7.710 1.00 0.00 C ATOM 148 CG PRO A 17 -4.302 -13.591 -6.628 1.00 0.00 C ATOM 149 CD PRO A 17 -4.417 -12.879 -5.290 1.00 0.00 C ATOM 0 HA PRO A 17 -5.231 -10.536 -7.446 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.433 -13.122 -8.413 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.915 -12.255 -8.286 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.914 -14.493 -6.634 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.273 -13.903 -6.807 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.039 -13.442 -4.594 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.441 -12.759 -4.820 1.00 0.00 H new ATOM 157 N VAL A 18 -7.579 -12.124 -6.003 1.00 0.00 N ATOM 158 CA VAL A 18 -9.022 -12.279 -5.941 1.00 0.00 C ATOM 159 C VAL A 18 -9.691 -10.972 -6.370 1.00 0.00 C ATOM 160 O VAL A 18 -10.599 -10.978 -7.199 1.00 0.00 O ATOM 161 CB VAL A 18 -9.440 -12.733 -4.540 1.00 0.00 C ATOM 162 CG1 VAL A 18 -8.994 -11.723 -3.481 1.00 0.00 C ATOM 163 CG2 VAL A 18 -10.949 -12.973 -4.469 1.00 0.00 C ATOM 0 H VAL A 18 -7.079 -12.452 -5.176 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.352 -13.055 -6.632 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.941 -13.679 -4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.303 -12.069 -2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.909 -11.624 -3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.452 -10.755 -3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.219 -13.295 -3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.476 -12.049 -4.709 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -11.228 -13.746 -5.185 1.00 0.00 H new ATOM 173 N TYR A 19 -9.216 -9.882 -5.785 1.00 0.00 N ATOM 174 CA TYR A 19 -9.756 -8.570 -6.097 1.00 0.00 C ATOM 175 C TYR A 19 -9.434 -8.172 -7.539 1.00 0.00 C ATOM 176 O TYR A 19 -10.233 -7.507 -8.196 1.00 0.00 O ATOM 177 CB TYR A 19 -9.065 -7.592 -5.144 1.00 0.00 C ATOM 178 CG TYR A 19 -10.030 -6.721 -4.338 1.00 0.00 C ATOM 179 CD1 TYR A 19 -11.231 -7.244 -3.902 1.00 0.00 C ATOM 180 CD2 TYR A 19 -9.701 -5.413 -4.046 1.00 0.00 C ATOM 181 CE1 TYR A 19 -12.140 -6.425 -3.143 1.00 0.00 C ATOM 182 CE2 TYR A 19 -10.609 -4.594 -3.287 1.00 0.00 C ATOM 183 CZ TYR A 19 -11.784 -5.140 -2.872 1.00 0.00 C ATOM 184 OH TYR A 19 -12.642 -4.366 -2.155 1.00 0.00 O ATOM 0 H TYR A 19 -8.463 -9.881 -5.097 1.00 0.00 H new ATOM 0 HA TYR A 19 -10.840 -8.566 -5.987 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.438 -8.156 -4.454 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -8.403 -6.945 -5.720 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.489 -8.268 -4.130 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.762 -5.004 -4.387 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -13.083 -6.822 -2.797 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.363 -3.569 -3.052 1.00 0.00 H new ATOM 0 HH TYR A 19 -13.527 -4.383 -2.575 1.00 0.00 H new ATOM 194 N GLU A 20 -8.262 -8.596 -7.988 1.00 0.00 N ATOM 195 CA GLU A 20 -7.824 -8.293 -9.340 1.00 0.00 C ATOM 196 C GLU A 20 -8.846 -8.807 -10.356 1.00 0.00 C ATOM 197 O GLU A 20 -9.175 -8.112 -11.317 1.00 0.00 O ATOM 198 CB GLU A 20 -6.437 -8.878 -9.612 1.00 0.00 C ATOM 199 CG GLU A 20 -5.424 -7.772 -9.912 1.00 0.00 C ATOM 200 CD GLU A 20 -5.118 -7.701 -11.409 1.00 0.00 C ATOM 201 OE1 GLU A 20 -6.008 -7.380 -12.210 1.00 0.00 O ATOM 202 OE2 GLU A 20 -3.903 -7.994 -11.732 1.00 0.00 O ATOM 0 H GLU A 20 -7.602 -9.147 -7.439 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.751 -7.210 -9.443 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.106 -9.455 -8.748 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.488 -9.567 -10.455 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.815 -6.813 -9.571 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.504 -7.956 -9.357 1.00 0.00 H new ATOM 210 N LYS A 21 -9.319 -10.020 -10.110 1.00 0.00 N ATOM 211 CA LYS A 21 -10.297 -10.635 -10.992 1.00 0.00 C ATOM 212 C LYS A 21 -11.386 -9.615 -11.329 1.00 0.00 C ATOM 213 O LYS A 21 -11.781 -9.484 -12.487 1.00 0.00 O ATOM 214 CB LYS A 21 -10.835 -11.928 -10.376 1.00 0.00 C ATOM 215 CG LYS A 21 -12.144 -11.674 -9.625 1.00 0.00 C ATOM 216 CD LYS A 21 -12.626 -12.944 -8.920 1.00 0.00 C ATOM 217 CE LYS A 21 -13.197 -13.946 -9.926 1.00 0.00 C ATOM 218 NZ LYS A 21 -14.644 -13.713 -10.126 1.00 0.00 N ATOM 0 H LYS A 21 -9.043 -10.593 -9.313 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.831 -10.927 -11.933 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.999 -12.668 -11.160 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.095 -12.345 -9.693 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.999 -10.880 -8.893 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.907 -11.329 -10.323 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.798 -13.400 -8.377 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.388 -12.689 -8.183 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.673 -13.854 -10.877 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.032 -14.963 -9.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.015 -14.402 -10.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.142 -13.824 -9.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.794 -12.749 -10.488 1.00 0.00 H new ATOM 229 N TYR A 22 -11.840 -8.918 -10.298 1.00 0.00 N ATOM 230 CA TYR A 22 -12.876 -7.914 -10.471 1.00 0.00 C ATOM 231 C TYR A 22 -12.346 -6.709 -11.250 1.00 0.00 C ATOM 232 O TYR A 22 -13.005 -6.218 -12.165 1.00 0.00 O ATOM 233 CB TYR A 22 -13.267 -7.464 -9.062 1.00 0.00 C ATOM 234 CG TYR A 22 -13.876 -8.573 -8.201 1.00 0.00 C ATOM 235 CD1 TYR A 22 -13.058 -9.392 -7.450 1.00 0.00 C ATOM 236 CD2 TYR A 22 -15.244 -8.754 -8.176 1.00 0.00 C ATOM 237 CE1 TYR A 22 -13.632 -10.436 -6.641 1.00 0.00 C ATOM 238 CE2 TYR A 22 -15.818 -9.797 -7.366 1.00 0.00 C ATOM 239 CZ TYR A 22 -14.983 -10.587 -6.638 1.00 0.00 C ATOM 240 OH TYR A 22 -15.525 -11.572 -5.874 1.00 0.00 O ATOM 0 H TYR A 22 -11.509 -9.029 -9.339 1.00 0.00 H new ATOM 0 HA TYR A 22 -13.719 -8.324 -11.027 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -12.383 -7.071 -8.559 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -13.981 -6.644 -9.139 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -11.988 -9.250 -7.469 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -15.884 -8.113 -8.764 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -13.003 -11.085 -6.050 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -16.887 -9.949 -7.337 1.00 0.00 H new ATOM 0 HH TYR A 22 -16.150 -12.099 -6.415 1.00 0.00 H new ATOM 250 N TYR A 23 -11.161 -6.265 -10.857 1.00 0.00 N ATOM 251 CA TYR A 23 -10.535 -5.126 -11.507 1.00 0.00 C ATOM 252 C TYR A 23 -10.430 -5.346 -13.017 1.00 0.00 C ATOM 253 O TYR A 23 -10.518 -4.396 -13.794 1.00 0.00 O ATOM 254 CB TYR A 23 -9.126 -5.027 -10.919 1.00 0.00 C ATOM 255 CG TYR A 23 -8.133 -4.273 -11.806 1.00 0.00 C ATOM 256 CD1 TYR A 23 -7.587 -4.891 -12.912 1.00 0.00 C ATOM 257 CD2 TYR A 23 -7.784 -2.973 -11.499 1.00 0.00 C ATOM 258 CE1 TYR A 23 -6.653 -4.181 -13.746 1.00 0.00 C ATOM 259 CE2 TYR A 23 -6.850 -2.262 -12.333 1.00 0.00 C ATOM 260 CZ TYR A 23 -6.331 -2.901 -13.416 1.00 0.00 C ATOM 261 OH TYR A 23 -5.448 -2.230 -14.204 1.00 0.00 O ATOM 0 H TYR A 23 -10.618 -6.674 -10.096 1.00 0.00 H new ATOM 0 HA TYR A 23 -11.121 -4.221 -11.344 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -9.182 -4.530 -9.950 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.747 -6.033 -10.740 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.860 -5.908 -13.152 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.212 -2.489 -10.633 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -6.218 -4.654 -14.614 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.568 -1.245 -12.104 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.038 -2.853 -14.840 1.00 0.00 H new ATOM 271 N ARG A 24 -10.244 -6.604 -13.388 1.00 0.00 N ATOM 272 CA ARG A 24 -10.127 -6.961 -14.792 1.00 0.00 C ATOM 273 C ARG A 24 -11.484 -6.836 -15.487 1.00 0.00 C ATOM 274 O ARG A 24 -11.553 -6.482 -16.663 1.00 0.00 O ATOM 275 CB ARG A 24 -9.607 -8.391 -14.956 1.00 0.00 C ATOM 276 CG ARG A 24 -9.561 -8.792 -16.431 1.00 0.00 C ATOM 277 CD ARG A 24 -8.346 -8.176 -17.129 1.00 0.00 C ATOM 278 NE ARG A 24 -8.770 -7.029 -17.964 1.00 0.00 N ATOM 279 CZ ARG A 24 -9.189 -7.138 -19.242 1.00 0.00 C ATOM 280 NH1 ARG A 24 -9.245 -8.345 -19.845 1.00 0.00 N ATOM 281 NH2 ARG A 24 -9.544 -6.047 -19.894 1.00 0.00 N ATOM 0 H ARG A 24 -10.171 -7.389 -12.741 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.416 -6.274 -15.250 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.610 -8.471 -14.522 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.249 -9.080 -14.408 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.521 -9.878 -16.515 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.475 -8.467 -16.929 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.618 -7.847 -16.387 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.853 -8.925 -17.749 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.744 -6.098 -17.547 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.969 -9.184 -19.334 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.563 -8.418 -20.811 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.499 -5.139 -19.431 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.863 -6.112 -20.861 1.00 0.00 H new ATOM 294 N GLN A 25 -12.530 -7.134 -14.730 1.00 0.00 N ATOM 295 CA GLN A 25 -13.881 -7.060 -15.258 1.00 0.00 C ATOM 296 C GLN A 25 -14.207 -5.627 -15.684 1.00 0.00 C ATOM 297 O GLN A 25 -14.939 -5.413 -16.650 1.00 0.00 O ATOM 298 CB GLN A 25 -14.898 -7.572 -14.237 1.00 0.00 C ATOM 299 CG GLN A 25 -15.035 -9.094 -14.315 1.00 0.00 C ATOM 300 CD GLN A 25 -16.452 -9.538 -13.945 1.00 0.00 C ATOM 301 OE1 GLN A 25 -17.140 -10.201 -14.704 1.00 0.00 O ATOM 302 NE2 GLN A 25 -16.848 -9.136 -12.741 1.00 0.00 N ATOM 0 H GLN A 25 -12.469 -7.427 -13.755 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.942 -7.703 -16.136 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -14.588 -7.282 -13.233 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -15.867 -7.106 -14.418 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.796 -9.433 -15.323 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -14.316 -9.562 -13.642 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -16.221 -8.583 -12.156 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -17.778 -9.381 -12.402 1.00 0.00 H new ATOM 311 N VAL A 26 -13.647 -4.682 -14.943 1.00 0.00 N ATOM 312 CA VAL A 26 -13.869 -3.275 -15.232 1.00 0.00 C ATOM 313 C VAL A 26 -12.830 -2.798 -16.249 1.00 0.00 C ATOM 314 O VAL A 26 -13.150 -2.032 -17.157 1.00 0.00 O ATOM 315 CB VAL A 26 -13.851 -2.465 -13.935 1.00 0.00 C ATOM 316 CG1 VAL A 26 -14.236 -3.338 -12.738 1.00 0.00 C ATOM 317 CG2 VAL A 26 -12.486 -1.808 -13.717 1.00 0.00 C ATOM 0 H VAL A 26 -13.040 -4.863 -14.143 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.853 -3.127 -15.678 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.594 -1.672 -14.025 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.215 -2.738 -11.828 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.239 -3.737 -12.887 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.528 -4.161 -12.645 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.501 -1.238 -12.788 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.717 -2.578 -13.658 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.267 -1.139 -14.549 1.00 0.00 H new ATOM 327 N GLU A 27 -11.606 -3.271 -16.063 1.00 0.00 N ATOM 328 CA GLU A 27 -10.518 -2.902 -16.953 1.00 0.00 C ATOM 329 C GLU A 27 -10.830 -3.345 -18.384 1.00 0.00 C ATOM 330 O GLU A 27 -11.383 -4.423 -18.598 1.00 0.00 O ATOM 331 CB GLU A 27 -9.192 -3.494 -16.472 1.00 0.00 C ATOM 332 CG GLU A 27 -8.035 -3.045 -17.366 1.00 0.00 C ATOM 333 CD GLU A 27 -7.154 -4.232 -17.762 1.00 0.00 C ATOM 334 OE1 GLU A 27 -6.724 -5.003 -16.891 1.00 0.00 O ATOM 335 OE2 GLU A 27 -6.921 -4.341 -19.026 1.00 0.00 O ATOM 0 H GLU A 27 -11.344 -3.906 -15.309 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.418 -1.817 -16.943 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.003 -3.185 -15.444 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.254 -4.582 -16.471 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.428 -2.565 -18.262 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.435 -2.301 -16.843 1.00 0.00 H new ATOM 343 N ALA A 28 -10.461 -2.491 -19.328 1.00 0.00 N ATOM 344 CA ALA A 28 -10.694 -2.781 -20.732 1.00 0.00 C ATOM 345 C ALA A 28 -9.367 -3.148 -21.400 1.00 0.00 C ATOM 346 O ALA A 28 -8.298 -2.830 -20.881 1.00 0.00 O ATOM 347 CB ALA A 28 -11.368 -1.579 -21.397 1.00 0.00 C ATOM 0 H ALA A 28 -10.002 -1.598 -19.147 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.365 -3.633 -20.841 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.543 -1.797 -22.451 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.320 -1.378 -20.905 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.722 -0.705 -21.309 1.00 0.00 H new ATOM 353 N GLY A 29 -9.479 -3.812 -22.541 1.00 0.00 N ATOM 354 CA GLY A 29 -8.301 -4.225 -23.285 1.00 0.00 C ATOM 355 C GLY A 29 -7.356 -5.046 -22.404 1.00 0.00 C ATOM 356 O GLY A 29 -7.560 -5.146 -21.195 1.00 0.00 O ATOM 0 H GLY A 29 -10.367 -4.074 -22.968 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.602 -4.815 -24.151 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.779 -3.346 -23.664 1.00 0.00 H new ATOM 360 N ASN A 30 -6.343 -5.611 -23.045 1.00 0.00 N ATOM 361 CA ASN A 30 -5.367 -6.419 -22.335 1.00 0.00 C ATOM 362 C ASN A 30 -4.121 -5.576 -22.053 1.00 0.00 C ATOM 363 O ASN A 30 -3.008 -6.098 -22.024 1.00 0.00 O ATOM 364 CB ASN A 30 -4.941 -7.628 -23.170 1.00 0.00 C ATOM 365 CG ASN A 30 -5.884 -8.811 -22.943 1.00 0.00 C ATOM 366 OD1 ASN A 30 -7.063 -8.767 -23.256 1.00 0.00 O ATOM 367 ND2 ASN A 30 -5.302 -9.868 -22.384 1.00 0.00 N ATOM 0 H ASN A 30 -6.177 -5.525 -24.048 1.00 0.00 H new ATOM 0 HA ASN A 30 -5.825 -6.764 -21.408 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.935 -7.361 -24.227 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -3.923 -7.915 -22.908 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.847 -10.709 -22.192 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.310 -9.838 -22.147 1.00 0.00 H new ATOM 374 N THR A 31 -4.351 -4.287 -21.854 1.00 0.00 N ATOM 375 CA THR A 31 -3.261 -3.367 -21.576 1.00 0.00 C ATOM 376 C THR A 31 -2.955 -3.340 -20.077 1.00 0.00 C ATOM 377 O THR A 31 -1.806 -3.158 -19.678 1.00 0.00 O ATOM 378 CB THR A 31 -3.643 -1.997 -22.142 1.00 0.00 C ATOM 379 OG1 THR A 31 -4.900 -1.709 -21.537 1.00 0.00 O ATOM 380 CG2 THR A 31 -3.954 -2.049 -23.640 1.00 0.00 C ATOM 0 H THR A 31 -5.276 -3.858 -21.880 1.00 0.00 H new ATOM 0 HA THR A 31 -2.339 -3.689 -22.059 1.00 0.00 H new ATOM 0 HB THR A 31 -2.831 -1.292 -21.963 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.220 -0.837 -21.848 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.219 -1.052 -23.991 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.077 -2.403 -24.182 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.788 -2.729 -23.815 1.00 0.00 H new ATOM 388 N GLY A 32 -4.003 -3.525 -19.288 1.00 0.00 N ATOM 389 CA GLY A 32 -3.860 -3.524 -17.842 1.00 0.00 C ATOM 390 C GLY A 32 -4.171 -2.143 -17.261 1.00 0.00 C ATOM 391 O GLY A 32 -3.624 -1.764 -16.226 1.00 0.00 O ATOM 0 H GLY A 32 -4.955 -3.677 -19.623 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.530 -4.265 -17.406 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.845 -3.815 -17.573 1.00 0.00 H new ATOM 395 N ARG A 33 -5.048 -1.430 -17.951 1.00 0.00 N ATOM 396 CA ARG A 33 -5.439 -0.099 -17.517 1.00 0.00 C ATOM 397 C ARG A 33 -6.958 -0.016 -17.361 1.00 0.00 C ATOM 398 O ARG A 33 -7.700 -0.415 -18.257 1.00 0.00 O ATOM 399 CB ARG A 33 -4.976 0.964 -18.515 1.00 0.00 C ATOM 400 CG ARG A 33 -3.570 1.462 -18.174 1.00 0.00 C ATOM 401 CD ARG A 33 -2.782 1.789 -19.443 1.00 0.00 C ATOM 402 NE ARG A 33 -3.337 3.002 -20.085 1.00 0.00 N ATOM 403 CZ ARG A 33 -3.202 3.293 -21.396 1.00 0.00 C ATOM 404 NH1 ARG A 33 -2.529 2.460 -22.218 1.00 0.00 N ATOM 405 NH2 ARG A 33 -3.739 4.405 -21.863 1.00 0.00 N ATOM 0 H ARG A 33 -5.500 -1.749 -18.808 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.961 0.090 -16.556 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.984 0.549 -19.523 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.674 1.802 -18.509 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.637 2.349 -17.545 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.041 0.702 -17.599 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.731 1.945 -19.198 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.826 0.948 -20.135 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.854 3.659 -19.500 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.117 1.602 -21.850 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.432 2.688 -23.207 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.246 5.029 -21.236 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.646 4.640 -22.851 1.00 0.00 H new ATOM 418 N VAL A 34 -7.376 0.504 -16.216 1.00 0.00 N ATOM 419 CA VAL A 34 -8.794 0.644 -15.932 1.00 0.00 C ATOM 420 C VAL A 34 -9.322 1.914 -16.604 1.00 0.00 C ATOM 421 O VAL A 34 -8.930 3.021 -16.241 1.00 0.00 O ATOM 422 CB VAL A 34 -9.029 0.627 -14.420 1.00 0.00 C ATOM 423 CG1 VAL A 34 -10.446 1.092 -14.080 1.00 0.00 C ATOM 424 CG2 VAL A 34 -8.752 -0.761 -13.838 1.00 0.00 C ATOM 0 H VAL A 34 -6.758 0.833 -15.475 1.00 0.00 H new ATOM 0 HA VAL A 34 -9.351 -0.198 -16.344 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.329 1.327 -13.964 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -10.587 1.070 -12.999 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.593 2.109 -14.445 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -11.170 0.429 -14.553 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.926 -0.746 -12.762 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.416 -1.490 -14.303 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.716 -1.037 -14.034 1.00 0.00 H new ATOM 434 N LEU A 35 -10.203 1.710 -17.572 1.00 0.00 N ATOM 435 CA LEU A 35 -10.788 2.824 -18.298 1.00 0.00 C ATOM 436 C LEU A 35 -11.551 3.720 -17.320 1.00 0.00 C ATOM 437 O LEU A 35 -11.940 4.834 -17.668 1.00 0.00 O ATOM 438 CB LEU A 35 -11.643 2.316 -19.461 1.00 0.00 C ATOM 439 CG LEU A 35 -11.112 2.615 -20.865 1.00 0.00 C ATOM 440 CD1 LEU A 35 -11.875 1.814 -21.922 1.00 0.00 C ATOM 441 CD2 LEU A 35 -11.142 4.118 -21.152 1.00 0.00 C ATOM 0 H LEU A 35 -10.526 0.790 -17.870 1.00 0.00 H new ATOM 0 HA LEU A 35 -10.007 3.436 -18.750 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.755 1.237 -19.359 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.639 2.750 -19.371 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.070 2.298 -20.912 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.478 2.045 -22.910 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.759 0.748 -21.725 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.932 2.077 -21.885 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.760 4.304 -22.156 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.167 4.482 -21.081 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.520 4.640 -20.424 1.00 0.00 H new ATOM 453 N ALA A 36 -11.741 3.201 -16.116 1.00 0.00 N ATOM 454 CA ALA A 36 -12.449 3.940 -15.086 1.00 0.00 C ATOM 455 C ALA A 36 -13.956 3.830 -15.330 1.00 0.00 C ATOM 456 O ALA A 36 -14.703 3.419 -14.444 1.00 0.00 O ATOM 457 CB ALA A 36 -11.965 5.391 -15.074 1.00 0.00 C ATOM 0 H ALA A 36 -11.417 2.277 -15.831 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.243 3.520 -14.102 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.497 5.946 -14.301 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.895 5.416 -14.868 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -12.158 5.847 -16.045 1.00 0.00 H new ATOM 463 N LEU A 37 -14.356 4.206 -16.536 1.00 0.00 N ATOM 464 CA LEU A 37 -15.760 4.155 -16.908 1.00 0.00 C ATOM 465 C LEU A 37 -16.377 2.860 -16.375 1.00 0.00 C ATOM 466 O LEU A 37 -17.416 2.889 -15.717 1.00 0.00 O ATOM 467 CB LEU A 37 -15.921 4.337 -18.418 1.00 0.00 C ATOM 468 CG LEU A 37 -16.209 5.762 -18.895 1.00 0.00 C ATOM 469 CD1 LEU A 37 -17.714 6.000 -19.035 1.00 0.00 C ATOM 470 CD2 LEU A 37 -15.549 6.791 -17.976 1.00 0.00 C ATOM 0 H LEU A 37 -13.733 4.547 -17.268 1.00 0.00 H new ATOM 0 HA LEU A 37 -16.306 4.981 -16.451 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.010 3.989 -18.905 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -16.731 3.691 -18.758 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.770 5.886 -19.885 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -17.891 7.020 -19.375 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -18.127 5.299 -19.760 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -18.197 5.851 -18.070 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -15.769 7.796 -18.337 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.937 6.676 -16.964 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.470 6.635 -17.971 1.00 0.00 H new ATOM 482 N ASP A 38 -15.712 1.756 -16.679 1.00 0.00 N ATOM 483 CA ASP A 38 -16.182 0.453 -16.239 1.00 0.00 C ATOM 484 C ASP A 38 -16.082 0.368 -14.715 1.00 0.00 C ATOM 485 O ASP A 38 -16.947 -0.217 -14.064 1.00 0.00 O ATOM 486 CB ASP A 38 -15.329 -0.670 -16.832 1.00 0.00 C ATOM 487 CG ASP A 38 -16.091 -1.667 -17.707 1.00 0.00 C ATOM 488 OD1 ASP A 38 -15.986 -1.643 -18.942 1.00 0.00 O ATOM 489 OD2 ASP A 38 -16.827 -2.507 -17.062 1.00 0.00 O ATOM 0 H ASP A 38 -14.851 1.736 -17.225 1.00 0.00 H new ATOM 0 HA ASP A 38 -17.213 0.337 -16.572 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -14.531 -0.225 -17.426 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -14.854 -1.215 -16.016 1.00 0.00 H new ATOM 495 N ALA A 39 -15.020 0.960 -14.189 1.00 0.00 N ATOM 496 CA ALA A 39 -14.796 0.959 -12.753 1.00 0.00 C ATOM 497 C ALA A 39 -16.061 1.446 -12.044 1.00 0.00 C ATOM 498 O ALA A 39 -16.520 0.822 -11.088 1.00 0.00 O ATOM 499 CB ALA A 39 -13.576 1.821 -12.426 1.00 0.00 C ATOM 0 H ALA A 39 -14.305 1.444 -14.732 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.587 -0.050 -12.398 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.408 1.820 -11.349 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.699 1.416 -12.930 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.750 2.842 -12.765 1.00 0.00 H new ATOM 505 N ALA A 40 -16.589 2.555 -12.539 1.00 0.00 N ATOM 506 CA ALA A 40 -17.792 3.133 -11.964 1.00 0.00 C ATOM 507 C ALA A 40 -18.961 2.166 -12.161 1.00 0.00 C ATOM 508 O ALA A 40 -19.916 2.174 -11.385 1.00 0.00 O ATOM 509 CB ALA A 40 -18.054 4.501 -12.597 1.00 0.00 C ATOM 0 H ALA A 40 -16.206 3.069 -13.332 1.00 0.00 H new ATOM 0 HA ALA A 40 -17.669 3.288 -10.892 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -18.956 4.935 -12.166 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.207 5.159 -12.404 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -18.186 4.385 -13.673 1.00 0.00 H new ATOM 515 N ALA A 41 -18.849 1.356 -13.204 1.00 0.00 N ATOM 516 CA ALA A 41 -19.885 0.385 -13.512 1.00 0.00 C ATOM 517 C ALA A 41 -19.837 -0.748 -12.486 1.00 0.00 C ATOM 518 O ALA A 41 -20.867 -1.133 -11.932 1.00 0.00 O ATOM 519 CB ALA A 41 -19.702 -0.119 -14.945 1.00 0.00 C ATOM 0 H ALA A 41 -18.057 1.352 -13.846 1.00 0.00 H new ATOM 0 HA ALA A 41 -20.872 0.844 -13.451 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -20.479 -0.848 -15.176 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -19.773 0.720 -15.638 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -18.723 -0.589 -15.043 1.00 0.00 H new ATOM 525 N PHE A 42 -18.632 -1.252 -12.262 1.00 0.00 N ATOM 526 CA PHE A 42 -18.438 -2.333 -11.312 1.00 0.00 C ATOM 527 C PHE A 42 -18.781 -1.883 -9.890 1.00 0.00 C ATOM 528 O PHE A 42 -19.415 -2.621 -9.137 1.00 0.00 O ATOM 529 CB PHE A 42 -16.958 -2.718 -11.369 1.00 0.00 C ATOM 530 CG PHE A 42 -16.462 -3.468 -10.131 1.00 0.00 C ATOM 531 CD1 PHE A 42 -16.951 -4.704 -9.843 1.00 0.00 C ATOM 532 CD2 PHE A 42 -15.533 -2.898 -9.317 1.00 0.00 C ATOM 533 CE1 PHE A 42 -16.490 -5.400 -8.694 1.00 0.00 C ATOM 534 CE2 PHE A 42 -15.072 -3.594 -8.168 1.00 0.00 C ATOM 535 CZ PHE A 42 -15.561 -4.830 -7.881 1.00 0.00 C ATOM 0 H PHE A 42 -17.780 -0.931 -12.723 1.00 0.00 H new ATOM 0 HA PHE A 42 -19.087 -3.171 -11.565 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -16.788 -3.338 -12.249 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -16.363 -1.814 -11.496 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -17.690 -5.156 -10.488 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -15.146 -1.916 -9.545 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -16.877 -6.382 -8.466 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -14.333 -3.142 -7.523 1.00 0.00 H new ATOM 0 HZ PHE A 42 -15.211 -5.359 -7.007 1.00 0.00 H new ATOM 545 N LEU A 43 -18.348 -0.673 -9.566 1.00 0.00 N ATOM 546 CA LEU A 43 -18.602 -0.116 -8.249 1.00 0.00 C ATOM 547 C LEU A 43 -20.092 -0.240 -7.926 1.00 0.00 C ATOM 548 O LEU A 43 -20.461 -0.677 -6.837 1.00 0.00 O ATOM 549 CB LEU A 43 -18.071 1.316 -8.162 1.00 0.00 C ATOM 550 CG LEU A 43 -16.549 1.466 -8.116 1.00 0.00 C ATOM 551 CD1 LEU A 43 -16.133 2.919 -8.351 1.00 0.00 C ATOM 552 CD2 LEU A 43 -15.983 0.913 -6.806 1.00 0.00 C ATOM 0 H LEU A 43 -17.823 -0.063 -10.193 1.00 0.00 H new ATOM 0 HA LEU A 43 -18.063 -0.679 -7.487 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -18.445 1.874 -9.020 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -18.489 1.784 -7.271 1.00 0.00 H new ATOM 0 HG LEU A 43 -16.123 0.874 -8.927 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -15.046 2.997 -8.313 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -16.486 3.245 -9.329 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.569 3.552 -7.578 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.900 1.032 -6.799 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -16.413 1.457 -5.965 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -16.233 -0.145 -6.720 1.00 0.00 H new ATOM 564 N LYS A 44 -20.909 0.153 -8.892 1.00 0.00 N ATOM 565 CA LYS A 44 -22.351 0.092 -8.724 1.00 0.00 C ATOM 566 C LYS A 44 -22.747 -1.311 -8.259 1.00 0.00 C ATOM 567 O LYS A 44 -23.817 -1.499 -7.682 1.00 0.00 O ATOM 568 CB LYS A 44 -23.059 0.537 -10.005 1.00 0.00 C ATOM 569 CG LYS A 44 -23.320 2.045 -9.992 1.00 0.00 C ATOM 570 CD LYS A 44 -24.659 2.376 -10.654 1.00 0.00 C ATOM 571 CE LYS A 44 -24.455 3.236 -11.903 1.00 0.00 C ATOM 572 NZ LYS A 44 -25.595 4.162 -12.086 1.00 0.00 N ATOM 0 H LYS A 44 -20.600 0.515 -9.794 1.00 0.00 H new ATOM 0 HA LYS A 44 -22.674 0.788 -7.950 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -22.450 0.277 -10.871 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -24.003 0.002 -10.108 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -23.319 2.409 -8.965 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -22.515 2.561 -10.514 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -25.174 1.454 -10.923 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -25.299 2.903 -9.946 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -23.529 3.803 -11.814 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -24.354 2.596 -12.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -25.441 4.738 -12.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -26.473 3.615 -12.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -25.673 4.784 -11.257 1.00 0.00 H new ATOM 583 N LYS A 45 -21.862 -2.260 -8.526 1.00 0.00 N ATOM 584 CA LYS A 45 -22.105 -3.640 -8.142 1.00 0.00 C ATOM 585 C LYS A 45 -21.770 -3.819 -6.660 1.00 0.00 C ATOM 586 O LYS A 45 -21.666 -4.944 -6.174 1.00 0.00 O ATOM 587 CB LYS A 45 -21.344 -4.595 -9.064 1.00 0.00 C ATOM 588 CG LYS A 45 -21.516 -4.195 -10.530 1.00 0.00 C ATOM 589 CD LYS A 45 -21.144 -5.350 -11.462 1.00 0.00 C ATOM 590 CE LYS A 45 -21.499 -5.021 -12.913 1.00 0.00 C ATOM 591 NZ LYS A 45 -22.763 -5.686 -13.301 1.00 0.00 N ATOM 0 H LYS A 45 -20.975 -2.100 -9.004 1.00 0.00 H new ATOM 0 HA LYS A 45 -23.159 -3.889 -8.263 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -20.285 -4.591 -8.804 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -21.704 -5.613 -8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -22.549 -3.896 -10.710 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -20.891 -3.330 -10.750 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -20.077 -5.556 -11.383 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -21.667 -6.255 -11.152 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -21.597 -3.942 -13.034 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -20.694 -5.344 -13.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -22.989 -5.452 -14.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -22.657 -6.716 -13.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -23.532 -5.358 -12.683 1.00 0.00 H new ATOM 602 N SER A 46 -21.610 -2.692 -5.982 1.00 0.00 N ATOM 603 CA SER A 46 -21.289 -2.710 -4.565 1.00 0.00 C ATOM 604 C SER A 46 -22.576 -2.722 -3.737 1.00 0.00 C ATOM 605 O SER A 46 -22.927 -3.740 -3.143 1.00 0.00 O ATOM 606 CB SER A 46 -20.422 -1.509 -4.181 1.00 0.00 C ATOM 607 OG SER A 46 -21.164 -0.293 -4.183 1.00 0.00 O ATOM 0 H SER A 46 -21.697 -1.760 -6.388 1.00 0.00 H new ATOM 0 HA SER A 46 -20.721 -3.616 -4.355 1.00 0.00 H new ATOM 0 HB2 SER A 46 -19.995 -1.672 -3.191 1.00 0.00 H new ATOM 0 HB3 SER A 46 -19.588 -1.426 -4.878 1.00 0.00 H new ATOM 0 HG SER A 46 -21.201 0.066 -5.094 1.00 0.00 H new ATOM 613 N GLY A 47 -23.243 -1.577 -3.723 1.00 0.00 N ATOM 614 CA GLY A 47 -24.483 -1.443 -2.978 1.00 0.00 C ATOM 615 C GLY A 47 -24.755 0.020 -2.624 1.00 0.00 C ATOM 616 O GLY A 47 -25.908 0.444 -2.562 1.00 0.00 O ATOM 0 H GLY A 47 -22.948 -0.734 -4.216 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -25.310 -1.838 -3.568 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -24.429 -2.038 -2.066 1.00 0.00 H new ATOM 620 N LEU A 48 -23.673 0.752 -2.401 1.00 0.00 N ATOM 621 CA LEU A 48 -23.780 2.159 -2.055 1.00 0.00 C ATOM 622 C LEU A 48 -24.291 2.941 -3.267 1.00 0.00 C ATOM 623 O LEU A 48 -24.217 2.460 -4.396 1.00 0.00 O ATOM 624 CB LEU A 48 -22.450 2.678 -1.505 1.00 0.00 C ATOM 625 CG LEU A 48 -22.150 2.339 -0.043 1.00 0.00 C ATOM 626 CD1 LEU A 48 -20.644 2.212 0.193 1.00 0.00 C ATOM 627 CD2 LEU A 48 -22.794 3.359 0.899 1.00 0.00 C ATOM 0 H LEU A 48 -22.718 0.397 -2.453 1.00 0.00 H new ATOM 0 HA LEU A 48 -24.507 2.300 -1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -21.644 2.280 -2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -22.432 3.762 -1.617 1.00 0.00 H new ATOM 0 HG LEU A 48 -22.593 1.369 0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -20.459 1.971 1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -20.242 1.420 -0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -20.156 3.155 -0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -22.566 3.095 1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -22.401 4.353 0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -23.874 3.357 0.754 1.00 0.00 H new ATOM 639 N PRO A 49 -24.812 4.165 -2.983 1.00 0.00 N ATOM 640 CA PRO A 49 -25.335 5.018 -4.037 1.00 0.00 C ATOM 641 C PRO A 49 -24.200 5.650 -4.845 1.00 0.00 C ATOM 642 O PRO A 49 -23.036 5.294 -4.670 1.00 0.00 O ATOM 643 CB PRO A 49 -26.197 6.045 -3.320 1.00 0.00 C ATOM 644 CG PRO A 49 -25.756 6.017 -1.866 1.00 0.00 C ATOM 645 CD PRO A 49 -24.916 4.767 -1.657 1.00 0.00 C ATOM 0 HA PRO A 49 -25.922 4.467 -4.771 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -26.061 7.037 -3.750 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -27.255 5.799 -3.412 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -25.179 6.910 -1.625 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -26.622 6.010 -1.205 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -23.933 5.013 -1.255 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -25.388 4.086 -0.949 1.00 0.00 H new ATOM 653 N ASP A 50 -24.580 6.576 -5.713 1.00 0.00 N ATOM 654 CA ASP A 50 -23.608 7.261 -6.549 1.00 0.00 C ATOM 655 C ASP A 50 -23.111 8.514 -5.824 1.00 0.00 C ATOM 656 O ASP A 50 -22.013 8.998 -6.096 1.00 0.00 O ATOM 657 CB ASP A 50 -24.234 7.699 -7.875 1.00 0.00 C ATOM 658 CG ASP A 50 -23.248 7.855 -9.034 1.00 0.00 C ATOM 659 OD1 ASP A 50 -22.161 7.259 -9.033 1.00 0.00 O ATOM 660 OD2 ASP A 50 -23.641 8.637 -9.982 1.00 0.00 O ATOM 0 H ASP A 50 -25.547 6.868 -5.856 1.00 0.00 H new ATOM 0 HA ASP A 50 -22.788 6.571 -6.748 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -24.994 6.971 -8.159 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -24.745 8.649 -7.722 1.00 0.00 H new ATOM 666 N LEU A 51 -23.943 9.003 -4.917 1.00 0.00 N ATOM 667 CA LEU A 51 -23.602 10.190 -4.151 1.00 0.00 C ATOM 668 C LEU A 51 -22.299 9.942 -3.388 1.00 0.00 C ATOM 669 O LEU A 51 -21.233 10.383 -3.814 1.00 0.00 O ATOM 670 CB LEU A 51 -24.771 10.603 -3.254 1.00 0.00 C ATOM 671 CG LEU A 51 -25.464 9.472 -2.492 1.00 0.00 C ATOM 672 CD1 LEU A 51 -25.285 9.639 -0.981 1.00 0.00 C ATOM 673 CD2 LEU A 51 -26.938 9.368 -2.886 1.00 0.00 C ATOM 0 H LEU A 51 -24.853 8.599 -4.695 1.00 0.00 H new ATOM 0 HA LEU A 51 -23.427 11.036 -4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -24.408 11.333 -2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -25.515 11.108 -3.870 1.00 0.00 H new ATOM 0 HG LEU A 51 -24.989 8.531 -2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -25.787 8.822 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -24.223 9.625 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -25.717 10.589 -0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -27.407 8.556 -2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -27.443 10.306 -2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -27.016 9.168 -3.955 1.00 0.00 H new ATOM 685 N ILE A 52 -22.428 9.238 -2.273 1.00 0.00 N ATOM 686 CA ILE A 52 -21.274 8.926 -1.447 1.00 0.00 C ATOM 687 C ILE A 52 -20.148 8.389 -2.333 1.00 0.00 C ATOM 688 O ILE A 52 -18.974 8.656 -2.081 1.00 0.00 O ATOM 689 CB ILE A 52 -21.668 7.980 -0.312 1.00 0.00 C ATOM 690 CG1 ILE A 52 -22.523 8.701 0.732 1.00 0.00 C ATOM 691 CG2 ILE A 52 -20.432 7.327 0.312 1.00 0.00 C ATOM 692 CD1 ILE A 52 -21.650 9.308 1.832 1.00 0.00 C ATOM 0 H ILE A 52 -23.314 8.875 -1.922 1.00 0.00 H new ATOM 0 HA ILE A 52 -20.897 9.827 -0.963 1.00 0.00 H new ATOM 0 HB ILE A 52 -22.278 7.180 -0.731 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -23.106 9.486 0.250 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -23.234 8.001 1.172 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -20.740 6.659 1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -19.899 6.757 -0.449 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -19.776 8.099 0.713 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -22.283 9.814 2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -21.087 8.517 2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -20.957 10.026 1.392 1.00 0.00 H new ATOM 704 N LEU A 53 -20.546 7.642 -3.352 1.00 0.00 N ATOM 705 CA LEU A 53 -19.585 7.065 -4.277 1.00 0.00 C ATOM 706 C LEU A 53 -18.780 8.187 -4.936 1.00 0.00 C ATOM 707 O LEU A 53 -17.551 8.140 -4.965 1.00 0.00 O ATOM 708 CB LEU A 53 -20.288 6.144 -5.276 1.00 0.00 C ATOM 709 CG LEU A 53 -20.284 4.653 -4.933 1.00 0.00 C ATOM 710 CD1 LEU A 53 -21.215 3.874 -5.863 1.00 0.00 C ATOM 711 CD2 LEU A 53 -18.861 4.092 -4.945 1.00 0.00 C ATOM 0 H LEU A 53 -21.521 7.423 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 53 -18.875 6.434 -3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -21.323 6.471 -5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -19.819 6.273 -6.251 1.00 0.00 H new ATOM 0 HG LEU A 53 -20.668 4.534 -3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -21.193 2.817 -5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -22.232 4.253 -5.761 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -20.884 3.996 -6.894 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -18.886 3.031 -4.698 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -18.426 4.224 -5.936 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -18.255 4.621 -4.210 1.00 0.00 H new ATOM 723 N GLY A 54 -19.506 9.170 -5.448 1.00 0.00 N ATOM 724 CA GLY A 54 -18.875 10.302 -6.104 1.00 0.00 C ATOM 725 C GLY A 54 -17.686 10.816 -5.290 1.00 0.00 C ATOM 726 O GLY A 54 -16.661 11.198 -5.853 1.00 0.00 O ATOM 0 H GLY A 54 -20.525 9.206 -5.422 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -18.540 10.009 -7.099 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -19.603 11.102 -6.236 1.00 0.00 H new ATOM 730 N LYS A 55 -17.861 10.808 -3.976 1.00 0.00 N ATOM 731 CA LYS A 55 -16.815 11.268 -3.079 1.00 0.00 C ATOM 732 C LYS A 55 -15.610 10.331 -3.184 1.00 0.00 C ATOM 733 O LYS A 55 -14.467 10.784 -3.207 1.00 0.00 O ATOM 734 CB LYS A 55 -17.357 11.415 -1.656 1.00 0.00 C ATOM 735 CG LYS A 55 -18.321 12.600 -1.555 1.00 0.00 C ATOM 736 CD LYS A 55 -18.189 13.301 -0.202 1.00 0.00 C ATOM 737 CE LYS A 55 -17.782 14.765 -0.380 1.00 0.00 C ATOM 738 NZ LYS A 55 -18.832 15.510 -1.110 1.00 0.00 N ATOM 0 H LYS A 55 -18.712 10.490 -3.512 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.473 12.261 -3.370 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -17.869 10.499 -1.362 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -16.529 11.555 -0.961 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -18.117 13.309 -2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.345 12.253 -1.690 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -19.137 13.246 0.334 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -17.447 12.785 0.408 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -17.614 15.223 0.595 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -16.840 14.823 -0.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -18.773 16.520 -0.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -18.694 15.391 -2.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -19.768 15.144 -0.842 1.00 0.00 H new ATOM 749 N ILE A 56 -15.908 9.041 -3.245 1.00 0.00 N ATOM 750 CA ILE A 56 -14.863 8.037 -3.348 1.00 0.00 C ATOM 751 C ILE A 56 -14.009 8.319 -4.586 1.00 0.00 C ATOM 752 O ILE A 56 -12.792 8.462 -4.485 1.00 0.00 O ATOM 753 CB ILE A 56 -15.467 6.631 -3.325 1.00 0.00 C ATOM 754 CG1 ILE A 56 -16.082 6.321 -1.958 1.00 0.00 C ATOM 755 CG2 ILE A 56 -14.433 5.583 -3.739 1.00 0.00 C ATOM 756 CD1 ILE A 56 -16.544 4.865 -1.883 1.00 0.00 C ATOM 0 H ILE A 56 -16.857 8.669 -3.225 1.00 0.00 H new ATOM 0 HA ILE A 56 -14.199 8.089 -2.485 1.00 0.00 H new ATOM 0 HB ILE A 56 -16.274 6.594 -4.057 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -15.350 6.515 -1.174 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -16.928 6.985 -1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -14.888 4.593 -3.714 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -14.083 5.796 -4.749 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -13.589 5.612 -3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -16.977 4.671 -0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -17.293 4.681 -2.653 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -15.692 4.204 -2.041 1.00 0.00 H new ATOM 768 N TRP A 57 -14.682 8.390 -5.725 1.00 0.00 N ATOM 769 CA TRP A 57 -14.001 8.653 -6.981 1.00 0.00 C ATOM 770 C TRP A 57 -13.202 9.948 -6.824 1.00 0.00 C ATOM 771 O TRP A 57 -11.999 9.975 -7.076 1.00 0.00 O ATOM 772 CB TRP A 57 -14.993 8.699 -8.144 1.00 0.00 C ATOM 773 CG TRP A 57 -14.336 8.665 -9.525 1.00 0.00 C ATOM 774 CD1 TRP A 57 -13.729 9.667 -10.176 1.00 0.00 C ATOM 775 CD2 TRP A 57 -14.243 7.525 -10.405 1.00 0.00 C ATOM 776 NE1 TRP A 57 -13.254 9.259 -11.405 1.00 0.00 N ATOM 777 CE2 TRP A 57 -13.577 7.914 -11.549 1.00 0.00 C ATOM 778 CE3 TRP A 57 -14.707 6.208 -10.240 1.00 0.00 C ATOM 779 CZ2 TRP A 57 -13.314 7.047 -12.616 1.00 0.00 C ATOM 780 CZ3 TRP A 57 -14.436 5.353 -11.315 1.00 0.00 C ATOM 781 CH2 TRP A 57 -13.766 5.730 -12.474 1.00 0.00 C ATOM 0 H TRP A 57 -15.692 8.270 -5.804 1.00 0.00 H new ATOM 0 HA TRP A 57 -13.310 7.845 -7.221 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -15.677 7.855 -8.058 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -15.593 9.605 -8.061 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -13.625 10.669 -9.787 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -12.757 9.837 -12.083 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -15.231 5.882 -9.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -12.790 7.377 -13.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -14.771 4.329 -11.239 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -13.595 5.010 -13.261 1.00 0.00 H new ATOM 792 N ASP A 58 -13.905 10.992 -6.409 1.00 0.00 N ATOM 793 CA ASP A 58 -13.277 12.288 -6.216 1.00 0.00 C ATOM 794 C ASP A 58 -11.953 12.103 -5.473 1.00 0.00 C ATOM 795 O ASP A 58 -10.948 12.720 -5.823 1.00 0.00 O ATOM 796 CB ASP A 58 -14.165 13.211 -5.378 1.00 0.00 C ATOM 797 CG ASP A 58 -13.928 14.707 -5.594 1.00 0.00 C ATOM 798 OD1 ASP A 58 -12.780 15.175 -5.617 1.00 0.00 O ATOM 799 OD2 ASP A 58 -14.998 15.412 -5.743 1.00 0.00 O ATOM 0 H ASP A 58 -14.903 10.967 -6.201 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.117 12.735 -7.197 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.208 12.988 -5.601 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.009 12.982 -4.324 1.00 0.00 H new ATOM 805 N LEU A 59 -11.994 11.249 -4.460 1.00 0.00 N ATOM 806 CA LEU A 59 -10.810 10.974 -3.665 1.00 0.00 C ATOM 807 C LEU A 59 -9.903 10.004 -4.425 1.00 0.00 C ATOM 808 O LEU A 59 -8.684 10.030 -4.262 1.00 0.00 O ATOM 809 CB LEU A 59 -11.203 10.483 -2.270 1.00 0.00 C ATOM 810 CG LEU A 59 -10.051 10.045 -1.363 1.00 0.00 C ATOM 811 CD1 LEU A 59 -9.669 8.587 -1.627 1.00 0.00 C ATOM 812 CD2 LEU A 59 -8.853 10.987 -1.505 1.00 0.00 C ATOM 0 H LEU A 59 -12.829 10.739 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.238 11.888 -3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.752 11.280 -1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.890 9.644 -2.382 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.388 10.107 -0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.848 8.301 -0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.529 7.945 -1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.358 8.475 -2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.048 10.653 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.506 10.981 -2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.151 11.998 -1.228 1.00 0.00 H new ATOM 824 N ALA A 60 -10.533 9.172 -5.241 1.00 0.00 N ATOM 825 CA ALA A 60 -9.799 8.195 -6.027 1.00 0.00 C ATOM 826 C ALA A 60 -9.001 8.918 -7.114 1.00 0.00 C ATOM 827 O ALA A 60 -7.771 8.915 -7.092 1.00 0.00 O ATOM 828 CB ALA A 60 -10.774 7.168 -6.606 1.00 0.00 C ATOM 0 H ALA A 60 -11.544 9.154 -5.375 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.090 7.654 -5.401 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.223 6.435 -7.196 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.295 6.662 -5.793 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.500 7.674 -7.243 1.00 0.00 H new ATOM 834 N ASP A 61 -9.734 9.521 -8.039 1.00 0.00 N ATOM 835 CA ASP A 61 -9.110 10.247 -9.133 1.00 0.00 C ATOM 836 C ASP A 61 -7.869 10.975 -8.613 1.00 0.00 C ATOM 837 O ASP A 61 -7.941 11.704 -7.625 1.00 0.00 O ATOM 838 CB ASP A 61 -10.063 11.293 -9.714 1.00 0.00 C ATOM 839 CG ASP A 61 -9.504 12.093 -10.892 1.00 0.00 C ATOM 840 OD1 ASP A 61 -9.140 13.270 -10.749 1.00 0.00 O ATOM 841 OD2 ASP A 61 -9.447 11.451 -12.010 1.00 0.00 O ATOM 0 H ASP A 61 -10.754 9.522 -8.053 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.847 9.528 -9.909 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.976 10.792 -10.035 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.342 11.988 -8.922 1.00 0.00 H new ATOM 847 N THR A 62 -6.759 10.752 -9.302 1.00 0.00 N ATOM 848 CA THR A 62 -5.504 11.378 -8.922 1.00 0.00 C ATOM 849 C THR A 62 -4.565 11.465 -10.127 1.00 0.00 C ATOM 850 O THR A 62 -3.938 12.498 -10.357 1.00 0.00 O ATOM 851 CB THR A 62 -4.917 10.589 -7.751 1.00 0.00 C ATOM 852 OG1 THR A 62 -5.711 10.982 -6.635 1.00 0.00 O ATOM 853 CG2 THR A 62 -3.505 11.049 -7.383 1.00 0.00 C ATOM 0 H THR A 62 -6.703 10.147 -10.121 1.00 0.00 H new ATOM 0 HA THR A 62 -5.659 12.406 -8.595 1.00 0.00 H new ATOM 0 HB THR A 62 -4.899 9.528 -8.001 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.422 11.585 -6.936 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.136 10.456 -6.546 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.845 10.918 -8.240 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.527 12.101 -7.100 1.00 0.00 H new ATOM 861 N ASP A 63 -4.499 10.367 -10.866 1.00 0.00 N ATOM 862 CA ASP A 63 -3.648 10.306 -12.042 1.00 0.00 C ATOM 863 C ASP A 63 -4.087 11.379 -13.040 1.00 0.00 C ATOM 864 O ASP A 63 -3.254 12.095 -13.594 1.00 0.00 O ATOM 865 CB ASP A 63 -3.758 8.945 -12.731 1.00 0.00 C ATOM 866 CG ASP A 63 -2.452 8.413 -13.326 1.00 0.00 C ATOM 867 OD1 ASP A 63 -1.612 7.843 -12.614 1.00 0.00 O ATOM 868 OD2 ASP A 63 -2.311 8.608 -14.593 1.00 0.00 O ATOM 0 H ASP A 63 -5.021 9.512 -10.673 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.618 10.466 -11.722 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.133 8.219 -12.010 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.500 9.016 -13.527 1.00 0.00 H new ATOM 874 N GLY A 64 -5.395 11.456 -13.240 1.00 0.00 N ATOM 875 CA GLY A 64 -5.954 12.429 -14.162 1.00 0.00 C ATOM 876 C GLY A 64 -5.809 11.959 -15.611 1.00 0.00 C ATOM 877 O GLY A 64 -5.039 12.533 -16.379 1.00 0.00 O ATOM 0 H GLY A 64 -6.083 10.860 -12.779 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.007 12.590 -13.932 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.450 13.387 -14.035 1.00 0.00 H new ATOM 881 N LYS A 65 -6.561 10.919 -15.940 1.00 0.00 N ATOM 882 CA LYS A 65 -6.526 10.365 -17.283 1.00 0.00 C ATOM 883 C LYS A 65 -7.738 9.455 -17.486 1.00 0.00 C ATOM 884 O LYS A 65 -7.673 8.488 -18.244 1.00 0.00 O ATOM 885 CB LYS A 65 -5.186 9.672 -17.541 1.00 0.00 C ATOM 886 CG LYS A 65 -4.941 8.555 -16.524 1.00 0.00 C ATOM 887 CD LYS A 65 -4.290 7.341 -17.189 1.00 0.00 C ATOM 888 CE LYS A 65 -2.827 7.625 -17.536 1.00 0.00 C ATOM 889 NZ LYS A 65 -2.642 7.670 -19.004 1.00 0.00 N ATOM 0 H LYS A 65 -7.198 10.445 -15.300 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.596 11.160 -18.026 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.174 9.259 -18.550 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.379 10.402 -17.486 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.300 8.922 -15.723 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.886 8.261 -16.067 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.349 6.481 -16.522 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.838 7.080 -18.094 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.520 8.574 -17.096 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.189 6.853 -17.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.644 7.864 -19.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.916 6.755 -19.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.237 8.423 -19.406 1.00 0.00 H new ATOM 900 N GLY A 66 -8.817 9.796 -16.796 1.00 0.00 N ATOM 901 CA GLY A 66 -10.043 9.022 -16.892 1.00 0.00 C ATOM 902 C GLY A 66 -9.751 7.522 -16.816 1.00 0.00 C ATOM 903 O GLY A 66 -10.506 6.711 -17.350 1.00 0.00 O ATOM 0 H GLY A 66 -8.867 10.598 -16.168 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -10.720 9.306 -16.087 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.549 9.251 -17.830 1.00 0.00 H new ATOM 907 N VAL A 67 -8.653 7.198 -16.148 1.00 0.00 N ATOM 908 CA VAL A 67 -8.252 5.810 -15.995 1.00 0.00 C ATOM 909 C VAL A 67 -7.794 5.571 -14.554 1.00 0.00 C ATOM 910 O VAL A 67 -7.173 6.441 -13.945 1.00 0.00 O ATOM 911 CB VAL A 67 -7.181 5.458 -17.029 1.00 0.00 C ATOM 912 CG1 VAL A 67 -6.645 4.042 -16.803 1.00 0.00 C ATOM 913 CG2 VAL A 67 -7.719 5.619 -18.452 1.00 0.00 C ATOM 0 H VAL A 67 -8.029 7.873 -15.707 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.096 5.146 -16.182 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.352 6.155 -16.903 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.885 3.817 -17.551 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.206 3.974 -15.808 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.462 3.326 -16.889 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.938 5.363 -19.168 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.573 4.957 -18.595 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.030 6.652 -18.609 1.00 0.00 H new ATOM 923 N LEU A 68 -8.119 4.389 -14.052 1.00 0.00 N ATOM 924 CA LEU A 68 -7.748 4.025 -12.695 1.00 0.00 C ATOM 925 C LEU A 68 -6.488 3.158 -12.730 1.00 0.00 C ATOM 926 O LEU A 68 -6.016 2.785 -13.803 1.00 0.00 O ATOM 927 CB LEU A 68 -8.928 3.368 -11.976 1.00 0.00 C ATOM 928 CG LEU A 68 -10.278 4.074 -12.117 1.00 0.00 C ATOM 929 CD1 LEU A 68 -11.363 3.346 -11.322 1.00 0.00 C ATOM 930 CD2 LEU A 68 -10.169 5.549 -11.722 1.00 0.00 C ATOM 0 H LEU A 68 -8.635 3.671 -14.560 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.506 4.915 -12.114 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.033 2.349 -12.349 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.687 3.296 -10.915 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.572 4.043 -13.166 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.312 3.868 -11.439 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.462 2.326 -11.692 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.089 3.324 -10.267 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -11.142 6.028 -11.831 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.842 5.625 -10.685 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -9.446 6.046 -12.368 1.00 0.00 H new ATOM 942 N SER A 69 -5.979 2.862 -11.543 1.00 0.00 N ATOM 943 CA SER A 69 -4.783 2.045 -11.424 1.00 0.00 C ATOM 944 C SER A 69 -4.999 0.950 -10.378 1.00 0.00 C ATOM 945 O SER A 69 -5.998 0.961 -9.659 1.00 0.00 O ATOM 946 CB SER A 69 -3.568 2.899 -11.056 1.00 0.00 C ATOM 947 OG SER A 69 -3.674 4.226 -11.564 1.00 0.00 O ATOM 0 H SER A 69 -6.373 3.173 -10.655 1.00 0.00 H new ATOM 0 HA SER A 69 -4.588 1.581 -12.391 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.464 2.933 -9.971 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.665 2.432 -11.448 1.00 0.00 H new ATOM 0 HG SER A 69 -2.880 4.739 -11.306 1.00 0.00 H new ATOM 953 N LYS A 70 -4.047 0.030 -10.325 1.00 0.00 N ATOM 954 CA LYS A 70 -4.121 -1.070 -9.379 1.00 0.00 C ATOM 955 C LYS A 70 -4.495 -0.526 -7.999 1.00 0.00 C ATOM 956 O LYS A 70 -5.672 -0.473 -7.647 1.00 0.00 O ATOM 957 CB LYS A 70 -2.820 -1.875 -9.391 1.00 0.00 C ATOM 958 CG LYS A 70 -1.608 -0.956 -9.560 1.00 0.00 C ATOM 959 CD LYS A 70 -0.999 -1.103 -10.956 1.00 0.00 C ATOM 960 CE LYS A 70 -0.069 0.070 -11.275 1.00 0.00 C ATOM 961 NZ LYS A 70 1.347 -0.342 -11.149 1.00 0.00 N ATOM 0 H LYS A 70 -3.220 0.024 -10.922 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.905 -1.770 -9.669 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.728 -2.437 -8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.846 -2.602 -10.203 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.907 0.079 -9.397 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.858 -1.194 -8.805 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.444 -2.039 -11.018 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.794 -1.154 -11.700 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.261 0.429 -12.286 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.274 0.899 -10.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.964 0.466 -11.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.530 -0.663 -10.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.543 -1.118 -11.813 1.00 0.00 H new ATOM 972 N GLN A 71 -3.471 -0.134 -7.255 1.00 0.00 N ATOM 973 CA GLN A 71 -3.677 0.404 -5.921 1.00 0.00 C ATOM 974 C GLN A 71 -4.934 1.277 -5.890 1.00 0.00 C ATOM 975 O GLN A 71 -5.849 1.027 -5.107 1.00 0.00 O ATOM 976 CB GLN A 71 -2.452 1.190 -5.451 1.00 0.00 C ATOM 977 CG GLN A 71 -1.810 0.527 -4.231 1.00 0.00 C ATOM 978 CD GLN A 71 -2.111 1.317 -2.956 1.00 0.00 C ATOM 979 OE1 GLN A 71 -3.227 1.743 -2.708 1.00 0.00 O ATOM 980 NE2 GLN A 71 -1.057 1.488 -2.164 1.00 0.00 N ATOM 0 H GLN A 71 -2.496 -0.178 -7.551 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.819 -0.429 -5.232 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.724 1.254 -6.260 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -2.743 2.211 -5.203 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.183 -0.492 -4.128 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.732 0.459 -4.375 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.150 1.105 -2.432 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.155 2.002 -1.289 1.00 0.00 H new ATOM 989 N GLU A 72 -4.937 2.284 -6.751 1.00 0.00 N ATOM 990 CA GLU A 72 -6.066 3.196 -6.832 1.00 0.00 C ATOM 991 C GLU A 72 -7.382 2.418 -6.762 1.00 0.00 C ATOM 992 O GLU A 72 -8.077 2.456 -5.748 1.00 0.00 O ATOM 993 CB GLU A 72 -5.997 4.043 -8.104 1.00 0.00 C ATOM 994 CG GLU A 72 -5.119 5.279 -7.892 1.00 0.00 C ATOM 995 CD GLU A 72 -5.971 6.546 -7.793 1.00 0.00 C ATOM 996 OE1 GLU A 72 -6.479 7.033 -8.814 1.00 0.00 O ATOM 997 OE2 GLU A 72 -6.098 7.026 -6.602 1.00 0.00 O ATOM 0 H GLU A 72 -4.176 2.489 -7.399 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.022 3.875 -5.980 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.597 3.445 -8.923 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.001 4.351 -8.395 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.531 5.160 -6.982 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.414 5.374 -8.717 1.00 0.00 H new ATOM 1005 N PHE A 73 -7.685 1.731 -7.854 1.00 0.00 N ATOM 1006 CA PHE A 73 -8.905 0.946 -7.930 1.00 0.00 C ATOM 1007 C PHE A 73 -9.056 0.047 -6.701 1.00 0.00 C ATOM 1008 O PHE A 73 -10.166 -0.166 -6.215 1.00 0.00 O ATOM 1009 CB PHE A 73 -8.796 0.069 -9.179 1.00 0.00 C ATOM 1010 CG PHE A 73 -9.717 -1.153 -9.164 1.00 0.00 C ATOM 1011 CD1 PHE A 73 -9.462 -2.186 -8.317 1.00 0.00 C ATOM 1012 CD2 PHE A 73 -10.790 -1.206 -9.997 1.00 0.00 C ATOM 1013 CE1 PHE A 73 -10.317 -3.320 -8.303 1.00 0.00 C ATOM 1014 CE2 PHE A 73 -11.645 -2.340 -9.983 1.00 0.00 C ATOM 1015 CZ PHE A 73 -11.390 -3.373 -9.136 1.00 0.00 C ATOM 0 H PHE A 73 -7.106 1.702 -8.693 1.00 0.00 H new ATOM 0 HA PHE A 73 -9.771 1.607 -7.972 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.026 0.674 -10.056 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.765 -0.267 -9.285 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.610 -2.144 -7.655 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.992 -0.386 -10.670 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -10.115 -4.140 -7.630 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -12.497 -2.382 -10.645 1.00 0.00 H new ATOM 0 HZ PHE A 73 -12.040 -4.235 -9.125 1.00 0.00 H new ATOM 1025 N PHE A 74 -7.923 -0.457 -6.234 1.00 0.00 N ATOM 1026 CA PHE A 74 -7.915 -1.328 -5.071 1.00 0.00 C ATOM 1027 C PHE A 74 -8.212 -0.541 -3.793 1.00 0.00 C ATOM 1028 O PHE A 74 -8.597 -1.119 -2.778 1.00 0.00 O ATOM 1029 CB PHE A 74 -6.511 -1.928 -4.971 1.00 0.00 C ATOM 1030 CG PHE A 74 -6.450 -3.425 -5.285 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -6.548 -3.855 -6.571 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -6.298 -4.325 -4.277 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -6.491 -5.243 -6.862 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -6.241 -5.714 -4.567 1.00 0.00 C ATOM 1035 CZ PHE A 74 -6.339 -6.144 -5.854 1.00 0.00 C ATOM 0 H PHE A 74 -7.004 -0.279 -6.640 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.680 -2.097 -5.178 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.850 -1.396 -5.656 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.127 -1.762 -3.964 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.669 -3.140 -7.371 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.221 -3.983 -3.255 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.568 -5.584 -7.884 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.120 -6.429 -3.766 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.296 -7.200 -6.075 1.00 0.00 H new ATOM 1045 N VAL A 75 -8.022 0.767 -3.885 1.00 0.00 N ATOM 1046 CA VAL A 75 -8.264 1.640 -2.749 1.00 0.00 C ATOM 1047 C VAL A 75 -9.758 1.960 -2.667 1.00 0.00 C ATOM 1048 O VAL A 75 -10.394 1.711 -1.644 1.00 0.00 O ATOM 1049 CB VAL A 75 -7.390 2.892 -2.855 1.00 0.00 C ATOM 1050 CG1 VAL A 75 -8.192 4.151 -2.517 1.00 0.00 C ATOM 1051 CG2 VAL A 75 -6.153 2.774 -1.964 1.00 0.00 C ATOM 0 H VAL A 75 -7.703 1.243 -4.729 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.986 1.143 -1.820 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.052 2.978 -3.888 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.548 5.026 -2.600 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.027 4.248 -3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.574 4.077 -1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.549 3.677 -2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.463 2.651 -0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.564 1.910 -2.272 1.00 0.00 H new ATOM 1061 N ALA A 76 -10.275 2.505 -3.758 1.00 0.00 N ATOM 1062 CA ALA A 76 -11.683 2.861 -3.822 1.00 0.00 C ATOM 1063 C ALA A 76 -12.528 1.662 -3.387 1.00 0.00 C ATOM 1064 O ALA A 76 -13.430 1.800 -2.562 1.00 0.00 O ATOM 1065 CB ALA A 76 -12.026 3.334 -5.236 1.00 0.00 C ATOM 0 H ALA A 76 -9.745 2.709 -4.605 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.903 3.683 -3.141 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -13.082 3.601 -5.284 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -11.420 4.205 -5.485 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.821 2.534 -5.947 1.00 0.00 H new ATOM 1071 N LEU A 77 -12.205 0.512 -3.961 1.00 0.00 N ATOM 1072 CA LEU A 77 -12.923 -0.711 -3.644 1.00 0.00 C ATOM 1073 C LEU A 77 -13.060 -0.837 -2.125 1.00 0.00 C ATOM 1074 O LEU A 77 -14.163 -0.746 -1.588 1.00 0.00 O ATOM 1075 CB LEU A 77 -12.248 -1.915 -4.302 1.00 0.00 C ATOM 1076 CG LEU A 77 -13.023 -2.578 -5.443 1.00 0.00 C ATOM 1077 CD1 LEU A 77 -12.334 -3.866 -5.898 1.00 0.00 C ATOM 1078 CD2 LEU A 77 -14.482 -2.816 -5.049 1.00 0.00 C ATOM 0 H LEU A 77 -11.455 0.402 -4.644 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.932 -0.677 -4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.278 -1.598 -4.684 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.059 -2.665 -3.534 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.027 -1.897 -6.294 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.905 -4.317 -6.709 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.327 -3.636 -6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.278 -4.564 -5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.010 -3.288 -5.877 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.521 -3.467 -4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.955 -1.863 -4.813 1.00 0.00 H new ATOM 1090 N ARG A 78 -11.924 -1.043 -1.476 1.00 0.00 N ATOM 1091 CA ARG A 78 -11.903 -1.182 -0.029 1.00 0.00 C ATOM 1092 C ARG A 78 -12.554 0.035 0.630 1.00 0.00 C ATOM 1093 O ARG A 78 -13.155 -0.080 1.698 1.00 0.00 O ATOM 1094 CB ARG A 78 -10.471 -1.329 0.489 1.00 0.00 C ATOM 1095 CG ARG A 78 -9.938 -2.740 0.233 1.00 0.00 C ATOM 1096 CD ARG A 78 -10.730 -3.779 1.030 1.00 0.00 C ATOM 1097 NE ARG A 78 -11.740 -4.422 0.160 1.00 0.00 N ATOM 1098 CZ ARG A 78 -12.220 -5.669 0.352 1.00 0.00 C ATOM 1099 NH1 ARG A 78 -11.786 -6.419 1.387 1.00 0.00 N ATOM 1100 NH2 ARG A 78 -13.122 -6.144 -0.487 1.00 0.00 N ATOM 0 H ARG A 78 -11.011 -1.117 -1.925 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.464 -2.081 0.226 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.827 -0.599 -0.000 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.443 -1.114 1.557 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.000 -2.968 -0.831 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.885 -2.790 0.509 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.054 -4.532 1.434 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.220 -3.302 1.879 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.096 -3.890 -0.634 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.090 -6.044 2.032 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.154 -7.360 1.524 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.446 -5.571 -1.266 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.495 -7.084 -0.356 1.00 0.00 H new ATOM 1113 N LEU A 79 -12.414 1.174 -0.033 1.00 0.00 N ATOM 1114 CA LEU A 79 -12.981 2.411 0.476 1.00 0.00 C ATOM 1115 C LEU A 79 -14.483 2.225 0.698 1.00 0.00 C ATOM 1116 O LEU A 79 -15.026 2.674 1.707 1.00 0.00 O ATOM 1117 CB LEU A 79 -12.636 3.579 -0.450 1.00 0.00 C ATOM 1118 CG LEU A 79 -12.535 4.954 0.214 1.00 0.00 C ATOM 1119 CD1 LEU A 79 -11.865 5.965 -0.719 1.00 0.00 C ATOM 1120 CD2 LEU A 79 -13.908 5.435 0.689 1.00 0.00 C ATOM 0 H LEU A 79 -11.916 1.266 -0.918 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.544 2.661 1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.685 3.362 -0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -13.391 3.631 -1.234 1.00 0.00 H new ATOM 0 HG LEU A 79 -11.902 4.862 1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -11.806 6.934 -0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.860 5.622 -0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -12.451 6.061 -1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -13.809 6.414 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -14.583 5.507 -0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -14.312 4.726 1.412 1.00 0.00 H new ATOM 1132 N VAL A 80 -15.113 1.562 -0.260 1.00 0.00 N ATOM 1133 CA VAL A 80 -16.542 1.311 -0.182 1.00 0.00 C ATOM 1134 C VAL A 80 -16.856 0.576 1.123 1.00 0.00 C ATOM 1135 O VAL A 80 -17.869 0.850 1.765 1.00 0.00 O ATOM 1136 CB VAL A 80 -17.008 0.548 -1.424 1.00 0.00 C ATOM 1137 CG1 VAL A 80 -18.485 0.164 -1.309 1.00 0.00 C ATOM 1138 CG2 VAL A 80 -16.750 1.360 -2.695 1.00 0.00 C ATOM 0 H VAL A 80 -14.660 1.191 -1.095 1.00 0.00 H new ATOM 0 HA VAL A 80 -17.094 2.251 -0.167 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.427 -0.372 -1.490 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -18.791 -0.377 -2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -18.629 -0.471 -0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -19.088 1.066 -1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -17.090 0.795 -3.563 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -17.293 2.304 -2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -15.683 1.561 -2.788 1.00 0.00 H new ATOM 1148 N ALA A 81 -15.968 -0.341 1.477 1.00 0.00 N ATOM 1149 CA ALA A 81 -16.138 -1.117 2.694 1.00 0.00 C ATOM 1150 C ALA A 81 -16.091 -0.179 3.901 1.00 0.00 C ATOM 1151 O ALA A 81 -16.487 -0.559 5.002 1.00 0.00 O ATOM 1152 CB ALA A 81 -15.065 -2.206 2.759 1.00 0.00 C ATOM 0 H ALA A 81 -15.128 -0.564 0.943 1.00 0.00 H new ATOM 0 HA ALA A 81 -17.108 -1.615 2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -15.192 -2.788 3.672 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -15.160 -2.862 1.894 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -14.078 -1.744 2.758 1.00 0.00 H new ATOM 1158 N CYS A 82 -15.604 1.028 3.655 1.00 0.00 N ATOM 1159 CA CYS A 82 -15.501 2.023 4.708 1.00 0.00 C ATOM 1160 C CYS A 82 -16.899 2.582 4.980 1.00 0.00 C ATOM 1161 O CYS A 82 -17.498 2.289 6.014 1.00 0.00 O ATOM 1162 CB CYS A 82 -14.505 3.128 4.348 1.00 0.00 C ATOM 1163 SG CYS A 82 -13.560 3.628 5.833 1.00 0.00 S ATOM 0 H CYS A 82 -15.276 1.340 2.741 1.00 0.00 H new ATOM 0 HA CYS A 82 -15.114 1.557 5.614 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -13.823 2.776 3.574 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -15.035 3.987 3.938 1.00 0.00 H new ATOM 0 HG CYS A 82 -12.294 3.681 5.544 1.00 0.00 H new ATOM 1169 N ALA A 83 -17.378 3.377 4.035 1.00 0.00 N ATOM 1170 CA ALA A 83 -18.694 3.979 4.159 1.00 0.00 C ATOM 1171 C ALA A 83 -19.702 2.909 4.587 1.00 0.00 C ATOM 1172 O ALA A 83 -20.728 3.223 5.188 1.00 0.00 O ATOM 1173 CB ALA A 83 -19.078 4.646 2.837 1.00 0.00 C ATOM 0 H ALA A 83 -16.878 3.618 3.179 1.00 0.00 H new ATOM 0 HA ALA A 83 -18.690 4.754 4.926 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -20.066 5.098 2.931 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -18.348 5.418 2.593 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -19.095 3.899 2.044 1.00 0.00 H new ATOM 1179 N GLN A 84 -19.373 1.668 4.259 1.00 0.00 N ATOM 1180 CA GLN A 84 -20.236 0.551 4.601 1.00 0.00 C ATOM 1181 C GLN A 84 -20.466 0.501 6.113 1.00 0.00 C ATOM 1182 O GLN A 84 -21.451 -0.072 6.577 1.00 0.00 O ATOM 1183 CB GLN A 84 -19.653 -0.769 4.092 1.00 0.00 C ATOM 1184 CG GLN A 84 -19.904 -0.936 2.592 1.00 0.00 C ATOM 1185 CD GLN A 84 -20.853 -2.106 2.322 1.00 0.00 C ATOM 1186 OE1 GLN A 84 -21.217 -2.861 3.209 1.00 0.00 O ATOM 1187 NE2 GLN A 84 -21.231 -2.214 1.052 1.00 0.00 N ATOM 0 H GLN A 84 -18.521 1.412 3.760 1.00 0.00 H new ATOM 0 HA GLN A 84 -21.198 0.698 4.111 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -18.582 -0.798 4.291 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -20.101 -1.602 4.634 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -20.328 -0.018 2.186 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -18.958 -1.104 2.078 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -20.889 -1.548 0.360 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -21.863 -2.963 0.770 1.00 0.00 H new ATOM 1196 N ASN A 85 -19.540 1.109 6.840 1.00 0.00 N ATOM 1197 CA ASN A 85 -19.629 1.141 8.290 1.00 0.00 C ATOM 1198 C ASN A 85 -20.166 2.504 8.734 1.00 0.00 C ATOM 1199 O ASN A 85 -20.752 2.624 9.809 1.00 0.00 O ATOM 1200 CB ASN A 85 -18.254 0.943 8.931 1.00 0.00 C ATOM 1201 CG ASN A 85 -18.364 0.139 10.228 1.00 0.00 C ATOM 1202 OD1 ASN A 85 -19.147 -0.789 10.348 1.00 0.00 O ATOM 1203 ND2 ASN A 85 -17.539 0.545 11.188 1.00 0.00 N ATOM 0 H ASN A 85 -18.725 1.583 6.452 1.00 0.00 H new ATOM 0 HA ASN A 85 -20.293 0.336 8.605 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -17.595 0.426 8.234 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -17.802 1.913 9.138 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -17.536 0.072 12.092 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -16.909 1.329 11.021 1.00 0.00 H new ATOM 1210 N GLY A 86 -19.946 3.496 7.883 1.00 0.00 N ATOM 1211 CA GLY A 86 -20.400 4.845 8.174 1.00 0.00 C ATOM 1212 C GLY A 86 -19.215 5.796 8.352 1.00 0.00 C ATOM 1213 O GLY A 86 -19.391 6.945 8.753 1.00 0.00 O ATOM 0 H GLY A 86 -19.460 3.392 6.992 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -21.038 5.200 7.365 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -21.007 4.841 9.079 1.00 0.00 H new ATOM 1217 N LEU A 87 -18.033 5.282 8.043 1.00 0.00 N ATOM 1218 CA LEU A 87 -16.819 6.071 8.164 1.00 0.00 C ATOM 1219 C LEU A 87 -16.719 7.029 6.975 1.00 0.00 C ATOM 1220 O LEU A 87 -17.362 6.819 5.948 1.00 0.00 O ATOM 1221 CB LEU A 87 -15.601 5.159 8.324 1.00 0.00 C ATOM 1222 CG LEU A 87 -15.735 4.037 9.356 1.00 0.00 C ATOM 1223 CD1 LEU A 87 -14.711 2.930 9.097 1.00 0.00 C ATOM 1224 CD2 LEU A 87 -15.635 4.588 10.780 1.00 0.00 C ATOM 0 H LEU A 87 -17.891 4.329 7.709 1.00 0.00 H new ATOM 0 HA LEU A 87 -16.850 6.683 9.065 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.378 4.711 7.356 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.744 5.775 8.595 1.00 0.00 H new ATOM 0 HG LEU A 87 -16.724 3.592 9.251 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -14.827 2.145 9.844 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.871 2.512 8.103 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.704 3.344 9.159 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -15.733 3.770 11.494 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.669 5.074 10.915 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -16.432 5.313 10.946 1.00 0.00 H new ATOM 1236 N GLU A 88 -15.906 8.060 7.153 1.00 0.00 N ATOM 1237 CA GLU A 88 -15.712 9.050 6.108 1.00 0.00 C ATOM 1238 C GLU A 88 -15.498 8.362 4.758 1.00 0.00 C ATOM 1239 O GLU A 88 -15.177 7.176 4.706 1.00 0.00 O ATOM 1240 CB GLU A 88 -14.543 9.978 6.441 1.00 0.00 C ATOM 1241 CG GLU A 88 -14.838 11.413 5.997 1.00 0.00 C ATOM 1242 CD GLU A 88 -14.532 12.408 7.119 1.00 0.00 C ATOM 1243 OE1 GLU A 88 -15.453 12.853 7.820 1.00 0.00 O ATOM 1244 OE2 GLU A 88 -13.286 12.715 7.250 1.00 0.00 O ATOM 0 H GLU A 88 -15.374 8.231 8.006 1.00 0.00 H new ATOM 0 HA GLU A 88 -16.612 9.662 6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.352 9.958 7.514 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.638 9.620 5.949 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -14.241 11.656 5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.885 11.499 5.705 1.00 0.00 H new ATOM 1252 N VAL A 89 -15.685 9.136 3.699 1.00 0.00 N ATOM 1253 CA VAL A 89 -15.516 8.616 2.353 1.00 0.00 C ATOM 1254 C VAL A 89 -14.139 9.022 1.823 1.00 0.00 C ATOM 1255 O VAL A 89 -13.794 8.716 0.683 1.00 0.00 O ATOM 1256 CB VAL A 89 -16.664 9.091 1.460 1.00 0.00 C ATOM 1257 CG1 VAL A 89 -16.581 8.451 0.073 1.00 0.00 C ATOM 1258 CG2 VAL A 89 -18.019 8.810 2.114 1.00 0.00 C ATOM 0 H VAL A 89 -15.952 10.119 3.746 1.00 0.00 H new ATOM 0 HA VAL A 89 -15.555 7.527 2.357 1.00 0.00 H new ATOM 0 HB VAL A 89 -16.569 10.170 1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -17.409 8.806 -0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -15.637 8.724 -0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -16.639 7.367 0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -18.818 9.157 1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -18.127 7.738 2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -18.078 9.334 3.068 1.00 0.00 H new ATOM 1268 N SER A 90 -13.391 9.707 2.675 1.00 0.00 N ATOM 1269 CA SER A 90 -12.059 10.158 2.307 1.00 0.00 C ATOM 1270 C SER A 90 -11.015 9.142 2.773 1.00 0.00 C ATOM 1271 O SER A 90 -11.311 8.273 3.591 1.00 0.00 O ATOM 1272 CB SER A 90 -11.762 11.536 2.900 1.00 0.00 C ATOM 1273 OG SER A 90 -12.290 12.589 2.097 1.00 0.00 O ATOM 0 H SER A 90 -13.682 9.961 3.619 1.00 0.00 H new ATOM 0 HA SER A 90 -12.014 10.242 1.221 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.185 11.598 3.903 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.684 11.663 3.001 1.00 0.00 H new ATOM 0 HG SER A 90 -12.081 13.452 2.511 1.00 0.00 H new ATOM 1279 N LEU A 91 -9.814 9.286 2.233 1.00 0.00 N ATOM 1280 CA LEU A 91 -8.723 8.392 2.583 1.00 0.00 C ATOM 1281 C LEU A 91 -8.505 8.430 4.097 1.00 0.00 C ATOM 1282 O LEU A 91 -7.891 7.526 4.662 1.00 0.00 O ATOM 1283 CB LEU A 91 -7.471 8.731 1.773 1.00 0.00 C ATOM 1284 CG LEU A 91 -7.139 7.779 0.621 1.00 0.00 C ATOM 1285 CD1 LEU A 91 -5.906 8.258 -0.148 1.00 0.00 C ATOM 1286 CD2 LEU A 91 -6.979 6.344 1.125 1.00 0.00 C ATOM 0 H LEU A 91 -9.572 10.009 1.555 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.974 7.364 2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.587 9.736 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.619 8.758 2.452 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.975 7.783 -0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -5.692 7.564 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.096 9.250 -0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.051 8.302 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.744 5.688 0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.171 6.303 1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.908 6.017 1.592 1.00 0.00 H new ATOM 1298 N SER A 92 -9.019 9.486 4.711 1.00 0.00 N ATOM 1299 CA SER A 92 -8.888 9.654 6.148 1.00 0.00 C ATOM 1300 C SER A 92 -9.680 8.566 6.876 1.00 0.00 C ATOM 1301 O SER A 92 -9.578 8.429 8.094 1.00 0.00 O ATOM 1302 CB SER A 92 -9.363 11.040 6.586 1.00 0.00 C ATOM 1303 OG SER A 92 -8.280 11.956 6.728 1.00 0.00 O ATOM 0 H SER A 92 -9.527 10.234 4.239 1.00 0.00 H new ATOM 0 HA SER A 92 -7.834 9.563 6.409 1.00 0.00 H new ATOM 0 HB2 SER A 92 -10.072 11.428 5.855 1.00 0.00 H new ATOM 0 HB3 SER A 92 -9.895 10.958 7.534 1.00 0.00 H new ATOM 0 HG SER A 92 -8.625 12.830 7.007 1.00 0.00 H new ATOM 1309 N SER A 93 -10.453 7.821 6.099 1.00 0.00 N ATOM 1310 CA SER A 93 -11.262 6.750 6.655 1.00 0.00 C ATOM 1311 C SER A 93 -10.556 5.407 6.464 1.00 0.00 C ATOM 1312 O SER A 93 -10.919 4.415 7.094 1.00 0.00 O ATOM 1313 CB SER A 93 -12.650 6.717 6.011 1.00 0.00 C ATOM 1314 OG SER A 93 -12.606 6.224 4.675 1.00 0.00 O ATOM 0 H SER A 93 -10.536 7.938 5.089 1.00 0.00 H new ATOM 0 HA SER A 93 -11.390 6.937 7.721 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.312 6.089 6.608 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.075 7.721 6.013 1.00 0.00 H new ATOM 0 HG SER A 93 -13.063 5.358 4.631 1.00 0.00 H new ATOM 1320 N LEU A 94 -9.559 5.418 5.590 1.00 0.00 N ATOM 1321 CA LEU A 94 -8.799 4.212 5.308 1.00 0.00 C ATOM 1322 C LEU A 94 -7.657 4.086 6.319 1.00 0.00 C ATOM 1323 O LEU A 94 -7.498 4.940 7.190 1.00 0.00 O ATOM 1324 CB LEU A 94 -8.333 4.202 3.851 1.00 0.00 C ATOM 1325 CG LEU A 94 -9.309 3.597 2.839 1.00 0.00 C ATOM 1326 CD1 LEU A 94 -8.643 3.423 1.472 1.00 0.00 C ATOM 1327 CD2 LEU A 94 -9.897 2.285 3.361 1.00 0.00 C ATOM 0 H LEU A 94 -9.261 6.242 5.069 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.428 3.329 5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.120 5.228 3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.394 3.651 3.794 1.00 0.00 H new ATOM 0 HG LEU A 94 -10.139 4.291 2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -9.358 2.991 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.313 4.394 1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.783 2.760 1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.587 1.876 2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.093 1.572 3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.431 2.471 4.293 1.00 0.00 H new ATOM 1339 N SER A 95 -6.893 3.014 6.170 1.00 0.00 N ATOM 1340 CA SER A 95 -5.771 2.765 7.059 1.00 0.00 C ATOM 1341 C SER A 95 -6.278 2.264 8.413 1.00 0.00 C ATOM 1342 O SER A 95 -5.493 2.063 9.338 1.00 0.00 O ATOM 1343 CB SER A 95 -4.924 4.026 7.243 1.00 0.00 C ATOM 1344 OG SER A 95 -5.374 4.816 8.340 1.00 0.00 O ATOM 0 H SER A 95 -7.029 2.308 5.447 1.00 0.00 H new ATOM 0 HA SER A 95 -5.140 1.999 6.608 1.00 0.00 H new ATOM 0 HB2 SER A 95 -3.883 3.744 7.402 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.957 4.621 6.330 1.00 0.00 H new ATOM 0 HG SER A 95 -6.206 5.272 8.095 1.00 0.00 H new ATOM 1350 N LEU A 96 -7.587 2.077 8.486 1.00 0.00 N ATOM 1351 CA LEU A 96 -8.208 1.603 9.711 1.00 0.00 C ATOM 1352 C LEU A 96 -8.705 0.170 9.505 1.00 0.00 C ATOM 1353 O LEU A 96 -8.347 -0.479 8.524 1.00 0.00 O ATOM 1354 CB LEU A 96 -9.300 2.572 10.168 1.00 0.00 C ATOM 1355 CG LEU A 96 -9.257 3.971 9.549 1.00 0.00 C ATOM 1356 CD1 LEU A 96 -10.618 4.662 9.661 1.00 0.00 C ATOM 1357 CD2 LEU A 96 -8.136 4.810 10.167 1.00 0.00 C ATOM 0 H LEU A 96 -8.235 2.245 7.717 1.00 0.00 H new ATOM 0 HA LEU A 96 -7.479 1.575 10.521 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.270 2.127 9.945 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.238 2.674 11.251 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.034 3.868 8.487 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.560 5.654 9.214 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -11.370 4.071 9.138 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.894 4.753 10.711 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.127 5.799 9.709 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.304 4.908 11.240 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -7.177 4.321 9.993 1.00 0.00 H new ATOM 1369 N ALA A 97 -9.522 -0.280 10.447 1.00 0.00 N ATOM 1370 CA ALA A 97 -10.071 -1.623 10.381 1.00 0.00 C ATOM 1371 C ALA A 97 -11.506 -1.557 9.855 1.00 0.00 C ATOM 1372 O ALA A 97 -12.457 -1.767 10.607 1.00 0.00 O ATOM 1373 CB ALA A 97 -9.985 -2.278 11.761 1.00 0.00 C ATOM 0 H ALA A 97 -9.816 0.262 11.259 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.495 -2.240 9.691 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.397 -3.286 11.712 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -8.943 -2.327 12.076 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -10.554 -1.688 12.480 1.00 0.00 H new ATOM 1379 N VAL A 98 -11.618 -1.266 8.567 1.00 0.00 N ATOM 1380 CA VAL A 98 -12.921 -1.170 7.932 1.00 0.00 C ATOM 1381 C VAL A 98 -13.508 -2.573 7.768 1.00 0.00 C ATOM 1382 O VAL A 98 -12.769 -3.549 7.644 1.00 0.00 O ATOM 1383 CB VAL A 98 -12.804 -0.412 6.608 1.00 0.00 C ATOM 1384 CG1 VAL A 98 -12.057 0.910 6.797 1.00 0.00 C ATOM 1385 CG2 VAL A 98 -12.129 -1.276 5.540 1.00 0.00 C ATOM 0 H VAL A 98 -10.827 -1.094 7.946 1.00 0.00 H new ATOM 0 HA VAL A 98 -13.609 -0.601 8.557 1.00 0.00 H new ATOM 0 HB VAL A 98 -13.812 -0.180 6.264 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.988 1.429 5.841 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -12.596 1.534 7.510 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -11.054 0.711 7.175 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -12.058 -0.714 4.609 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.129 -1.552 5.874 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -12.719 -2.178 5.375 1.00 0.00 H new ATOM 1395 N PRO A 99 -14.867 -2.632 7.771 1.00 0.00 N ATOM 1396 CA PRO A 99 -15.562 -3.899 7.624 1.00 0.00 C ATOM 1397 C PRO A 99 -15.510 -4.388 6.175 1.00 0.00 C ATOM 1398 O PRO A 99 -15.026 -3.679 5.294 1.00 0.00 O ATOM 1399 CB PRO A 99 -16.977 -3.631 8.110 1.00 0.00 C ATOM 1400 CG PRO A 99 -17.151 -2.122 8.074 1.00 0.00 C ATOM 1401 CD PRO A 99 -15.775 -1.497 7.915 1.00 0.00 C ATOM 0 HA PRO A 99 -15.102 -4.700 8.202 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -17.709 -4.124 7.471 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -17.123 -4.017 9.119 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -17.799 -1.832 7.247 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -17.626 -1.771 8.990 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -15.735 -0.844 7.043 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -15.514 -0.888 8.781 1.00 0.00 H new ATOM 1409 N PRO A 100 -16.030 -5.628 5.968 1.00 0.00 N ATOM 1410 CA PRO A 100 -16.047 -6.219 4.641 1.00 0.00 C ATOM 1411 C PRO A 100 -17.132 -5.581 3.770 1.00 0.00 C ATOM 1412 O PRO A 100 -18.199 -5.222 4.266 1.00 0.00 O ATOM 1413 CB PRO A 100 -16.271 -7.704 4.875 1.00 0.00 C ATOM 1414 CG PRO A 100 -16.832 -7.824 6.283 1.00 0.00 C ATOM 1415 CD PRO A 100 -16.612 -6.496 6.987 1.00 0.00 C ATOM 0 HA PRO A 100 -15.120 -6.051 4.094 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -16.965 -8.115 4.142 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -15.338 -8.260 4.777 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -17.894 -8.068 6.251 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -16.336 -8.630 6.824 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -17.549 -6.089 7.366 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -15.944 -6.607 7.841 1.00 0.00 H new ATOM 1423 N PRO A 101 -16.813 -5.457 2.454 1.00 0.00 N ATOM 1424 CA PRO A 101 -17.748 -4.869 1.510 1.00 0.00 C ATOM 1425 C PRO A 101 -18.880 -5.844 1.180 1.00 0.00 C ATOM 1426 O PRO A 101 -19.089 -6.823 1.894 1.00 0.00 O ATOM 1427 CB PRO A 101 -16.906 -4.503 0.299 1.00 0.00 C ATOM 1428 CG PRO A 101 -15.628 -5.317 0.418 1.00 0.00 C ATOM 1429 CD PRO A 101 -15.559 -5.872 1.832 1.00 0.00 C ATOM 0 HA PRO A 101 -18.251 -3.988 1.909 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -17.432 -4.735 -0.627 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -16.689 -3.435 0.283 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -15.622 -6.127 -0.311 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -14.758 -4.694 0.209 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -15.460 -6.957 1.827 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -14.699 -5.476 2.372 1.00 0.00 H new ATOM 1437 N ARG A 102 -19.580 -5.542 0.096 1.00 0.00 N ATOM 1438 CA ARG A 102 -20.686 -6.380 -0.338 1.00 0.00 C ATOM 1439 C ARG A 102 -20.238 -7.303 -1.472 1.00 0.00 C ATOM 1440 O ARG A 102 -20.748 -8.414 -1.611 1.00 0.00 O ATOM 1441 CB ARG A 102 -21.865 -5.531 -0.816 1.00 0.00 C ATOM 1442 CG ARG A 102 -23.195 -6.134 -0.359 1.00 0.00 C ATOM 1443 CD ARG A 102 -23.706 -7.164 -1.369 1.00 0.00 C ATOM 1444 NE ARG A 102 -24.099 -8.407 -0.669 1.00 0.00 N ATOM 1445 CZ ARG A 102 -24.173 -9.618 -1.261 1.00 0.00 C ATOM 1446 NH1 ARG A 102 -23.879 -9.760 -2.571 1.00 0.00 N ATOM 1447 NH2 ARG A 102 -24.536 -10.662 -0.539 1.00 0.00 N ATOM 0 H ARG A 102 -19.403 -4.729 -0.494 1.00 0.00 H new ATOM 0 HA ARG A 102 -21.006 -6.977 0.516 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -21.769 -4.517 -0.428 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -21.849 -5.459 -1.903 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -23.069 -6.606 0.615 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -23.934 -5.342 -0.236 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -24.558 -6.759 -1.914 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -22.931 -7.380 -2.104 1.00 0.00 H new ATOM 0 HE ARG A 102 -24.328 -8.345 0.323 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -23.598 -8.949 -3.122 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -23.938 -10.679 -3.010 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -24.755 -10.546 0.450 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -24.597 -11.584 -0.971 1.00 0.00 H new ATOM 1460 N PHE A 103 -19.289 -6.810 -2.255 1.00 0.00 N ATOM 1461 CA PHE A 103 -18.767 -7.577 -3.373 1.00 0.00 C ATOM 1462 C PHE A 103 -18.628 -9.056 -3.005 1.00 0.00 C ATOM 1463 O PHE A 103 -18.608 -9.407 -1.827 1.00 0.00 O ATOM 1464 CB PHE A 103 -17.383 -7.012 -3.696 1.00 0.00 C ATOM 1465 CG PHE A 103 -17.336 -5.484 -3.768 1.00 0.00 C ATOM 1466 CD1 PHE A 103 -17.989 -4.830 -4.766 1.00 0.00 C ATOM 1467 CD2 PHE A 103 -16.642 -4.780 -2.834 1.00 0.00 C ATOM 1468 CE1 PHE A 103 -17.946 -3.412 -4.833 1.00 0.00 C ATOM 1469 CE2 PHE A 103 -16.599 -3.362 -2.901 1.00 0.00 C ATOM 1470 CZ PHE A 103 -17.252 -2.708 -3.899 1.00 0.00 C ATOM 0 H PHE A 103 -18.868 -5.888 -2.137 1.00 0.00 H new ATOM 0 HA PHE A 103 -19.445 -7.503 -4.224 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -16.677 -7.352 -2.938 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -17.048 -7.421 -4.649 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -18.540 -5.389 -5.508 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -16.124 -5.299 -2.041 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -18.464 -2.893 -5.626 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -16.048 -2.803 -2.159 1.00 0.00 H new ATOM 0 HZ PHE A 103 -17.219 -1.630 -3.950 1.00 0.00 H new ATOM 1480 N HIS A 104 -18.534 -9.883 -4.036 1.00 0.00 N ATOM 1481 CA HIS A 104 -18.397 -11.316 -3.837 1.00 0.00 C ATOM 1482 C HIS A 104 -17.024 -11.621 -3.235 1.00 0.00 C ATOM 1483 O HIS A 104 -16.178 -10.734 -3.128 1.00 0.00 O ATOM 1484 CB HIS A 104 -18.654 -12.073 -5.141 1.00 0.00 C ATOM 1485 CG HIS A 104 -20.068 -12.583 -5.287 1.00 0.00 C ATOM 1486 ND1 HIS A 104 -20.599 -13.564 -4.467 1.00 0.00 N ATOM 1487 CD2 HIS A 104 -21.054 -12.238 -6.164 1.00 0.00 C ATOM 1488 CE1 HIS A 104 -21.849 -13.791 -4.843 1.00 0.00 C ATOM 1489 NE2 HIS A 104 -22.129 -12.969 -5.895 1.00 0.00 N ATOM 0 H HIS A 104 -18.550 -9.588 -5.012 1.00 0.00 H new ATOM 0 HA HIS A 104 -19.151 -11.662 -3.130 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -18.427 -11.416 -5.981 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -17.966 -12.917 -5.201 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -20.974 -11.496 -6.945 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -22.527 -14.502 -4.395 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -23.018 -12.924 -6.393 1.00 0.00 H new ATOM 1497 N ASP A 105 -16.845 -12.878 -2.857 1.00 0.00 N ATOM 1498 CA ASP A 105 -15.589 -13.311 -2.269 1.00 0.00 C ATOM 1499 C ASP A 105 -14.466 -13.142 -3.293 1.00 0.00 C ATOM 1500 O ASP A 105 -14.237 -14.023 -4.120 1.00 0.00 O ATOM 1501 CB ASP A 105 -15.648 -14.787 -1.871 1.00 0.00 C ATOM 1502 CG ASP A 105 -15.348 -15.072 -0.398 1.00 0.00 C ATOM 1503 OD1 ASP A 105 -14.184 -15.066 0.030 1.00 0.00 O ATOM 1504 OD2 ASP A 105 -16.384 -15.312 0.333 1.00 0.00 O ATOM 0 H ASP A 105 -17.549 -13.611 -2.947 1.00 0.00 H new ATOM 0 HA ASP A 105 -15.405 -12.705 -1.382 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -16.641 -15.171 -2.105 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -14.938 -15.342 -2.485 1.00 0.00 H new