USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 833 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: B 49 THR OG1 : rot -62:sc= 0.193 USER MOD Set 1.2: B 51 THR OG1 : rot 56:sc= 0.79 USER MOD Set 2.1: B 44 THR OG1 : rot 62:sc= 1.16! USER MOD Set 2.2: B 53 THR OG1 : rot 83:sc= 1.54 USER MOD Set 3.1: A 49 THR OG1 : rot -61:sc= 0.194 USER MOD Set 3.2: A 51 THR OG1 : rot 57:sc= 0.776 USER MOD Set 4.1: A 44 THR OG1 : rot 53:sc= 1.25 USER MOD Set 4.2: A 53 THR OG1 : rot 81:sc= 1.54 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 TYR OH : rot 180:sc= -0.715 USER MOD Single : A 4 LYS NZ :NH3+ -178:sc= 1.06 (180deg=0.987) USER MOD Single : A 8 ASN : amide:sc= -0.601 K(o=-0.6,f=-2.7!) USER MOD Single : A 10 LYS NZ :NH3+ 171:sc= -0.0171 (180deg=-0.133) USER MOD Single : A 11 THR OG1 : rot -142:sc= -2.13! USER MOD Single : A 13 LYS NZ :NH3+ -168:sc= -0.0347 (180deg=-0.243) USER MOD Single : A 16 THR OG1 : rot 160:sc= -5.72! USER MOD Single : A 17 THR OG1 : rot 27:sc= 0.372 USER MOD Single : A 18 THR OG1 : rot 34:sc= 1.1 USER MOD Single : A 25 THR OG1 : rot -44:sc= -1.29! USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= -0.0295 (180deg=-0.271) USER MOD Single : A 31 LYS NZ :NH3+ -114:sc= -5.35! (180deg=-6.92!) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.498 F(o=-2.4,f=-0.5) USER MOD Single : A 35 ASN : amide:sc= -5.15! C(o=-5.2!,f=-5.4!) USER MOD Single : A 37 ASN : amide:sc= -4.48 K(o=-4.5,f=-5.1) USER MOD Single : A 45 TYR OH : rot 180:sc= -1.31 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -112:sc= 0.0746 (180deg=0) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 3 TYR OH : rot 180:sc= -0.712 USER MOD Single : B 4 LYS NZ :NH3+ -174:sc= 1.06 (180deg=0.942) USER MOD Single : B 8 ASN : amide:sc= -0.581 K(o=-0.58,f=-2.8!) USER MOD Single : B 10 LYS NZ :NH3+ 171:sc= -0.0129 (180deg=-0.14) USER MOD Single : B 11 THR OG1 : rot -140:sc= -2.15! USER MOD Single : B 13 LYS NZ :NH3+ -168:sc= -0.0266 (180deg=-0.246) USER MOD Single : B 16 THR OG1 : rot 169:sc= -5.78! USER MOD Single : B 17 THR OG1 : rot 29:sc= 0.377 USER MOD Single : B 18 THR OG1 : rot 34:sc= 1.1 USER MOD Single : B 25 THR OG1 : rot -42:sc= -1.36! USER MOD Single : B 28 LYS NZ :NH3+ 166:sc= -0.0215 (180deg=-0.255) USER MOD Single : B 31 LYS NZ :NH3+ -116:sc= -5.33! (180deg=-6.88!) USER MOD Single : B 32 GLN :FLIP amide:sc= -0.511 F(o=-2.4,f=-0.51) USER MOD Single : B 35 ASN : amide:sc= -5.13! C(o=-5.1!,f=-5.2!) USER MOD Single : B 37 ASN : amide:sc= -4.35 K(o=-4.4,f=-5.1) USER MOD Single : B 45 TYR OH : rot 180:sc= -1.35 USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 7.584 -15.766 1.000 1.00 0.00 N ATOM 21 CA GLN A 2 7.351 -14.333 1.103 1.00 0.00 C ATOM 22 C GLN A 2 7.111 -13.741 -0.279 1.00 0.00 C ATOM 23 O GLN A 2 7.758 -14.130 -1.252 1.00 0.00 O ATOM 24 CB GLN A 2 8.543 -13.643 1.769 1.00 0.00 C ATOM 25 CG GLN A 2 8.372 -12.141 1.918 1.00 0.00 C ATOM 26 CD GLN A 2 9.565 -11.480 2.583 1.00 0.00 C ATOM 27 OE1 GLN A 2 9.913 -11.803 3.720 1.00 0.00 O ATOM 28 NE2 GLN A 2 10.197 -10.551 1.878 1.00 0.00 N ATOM 0 HA GLN A 2 6.466 -14.169 1.718 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.702 -14.081 2.754 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.441 -13.842 1.183 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.217 -11.698 0.934 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.476 -11.938 2.504 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.874 -10.315 0.940 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.006 -10.072 2.274 1.00 0.00 H new ATOM 37 N TYR A 3 6.178 -12.801 -0.364 1.00 0.00 N ATOM 38 CA TYR A 3 5.859 -12.159 -1.632 1.00 0.00 C ATOM 39 C TYR A 3 5.985 -10.647 -1.515 1.00 0.00 C ATOM 40 O TYR A 3 5.681 -10.067 -0.473 1.00 0.00 O ATOM 41 CB TYR A 3 4.456 -12.562 -2.087 1.00 0.00 C ATOM 42 CG TYR A 3 4.335 -14.042 -2.383 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.377 -14.980 -1.360 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.196 -14.499 -3.688 1.00 0.00 C ATOM 45 CE1 TYR A 3 4.280 -16.333 -1.628 1.00 0.00 C ATOM 46 CE2 TYR A 3 4.101 -15.850 -3.964 1.00 0.00 C ATOM 47 CZ TYR A 3 4.143 -16.763 -2.931 1.00 0.00 C ATOM 48 OH TYR A 3 4.049 -18.108 -3.202 1.00 0.00 O ATOM 0 H TYR A 3 5.630 -12.467 0.429 1.00 0.00 H new ATOM 0 HA TYR A 3 6.572 -12.494 -2.385 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.737 -12.291 -1.314 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.192 -11.995 -2.980 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.487 -14.647 -0.338 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.162 -13.787 -4.499 1.00 0.00 H new ATOM 0 HE1 TYR A 3 4.311 -17.050 -0.821 1.00 0.00 H new ATOM 0 HE2 TYR A 3 3.994 -16.189 -4.984 1.00 0.00 H new ATOM 0 HH TYR A 3 3.956 -18.241 -4.168 1.00 0.00 H new ATOM 58 N LYS A 4 6.457 -10.014 -2.584 1.00 0.00 N ATOM 59 CA LYS A 4 6.651 -8.568 -2.589 1.00 0.00 C ATOM 60 C LYS A 4 5.642 -7.871 -3.494 1.00 0.00 C ATOM 61 O LYS A 4 5.693 -8.003 -4.716 1.00 0.00 O ATOM 62 CB LYS A 4 8.074 -8.240 -3.047 1.00 0.00 C ATOM 63 CG LYS A 4 8.389 -6.753 -3.057 1.00 0.00 C ATOM 64 CD LYS A 4 9.820 -6.496 -3.497 1.00 0.00 C ATOM 65 CE LYS A 4 10.146 -5.012 -3.505 1.00 0.00 C ATOM 66 NZ LYS A 4 11.551 -4.754 -3.929 1.00 0.00 N ATOM 0 H LYS A 4 6.712 -10.478 -3.456 1.00 0.00 H new ATOM 0 HA LYS A 4 6.497 -8.203 -1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.782 -8.747 -2.392 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.224 -8.640 -4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.702 -6.238 -3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.232 -6.339 -2.061 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.506 -7.016 -2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.974 -6.908 -4.494 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.463 -4.494 -4.178 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.986 -4.600 -2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.744 -3.733 -3.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.203 -5.255 -3.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.688 -5.094 -4.902 1.00 0.00 H new ATOM 80 N VAL A 5 4.733 -7.115 -2.890 1.00 0.00 N ATOM 81 CA VAL A 5 3.730 -6.394 -3.654 1.00 0.00 C ATOM 82 C VAL A 5 4.187 -4.964 -3.918 1.00 0.00 C ATOM 83 O VAL A 5 4.691 -4.283 -3.026 1.00 0.00 O ATOM 84 CB VAL A 5 2.361 -6.388 -2.943 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.326 -5.637 -3.769 1.00 0.00 C ATOM 86 CG2 VAL A 5 1.900 -7.812 -2.669 1.00 0.00 C ATOM 0 H VAL A 5 4.672 -6.988 -1.880 1.00 0.00 H new ATOM 0 HA VAL A 5 3.610 -6.914 -4.604 1.00 0.00 H new ATOM 0 HB VAL A 5 2.471 -5.871 -1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.369 -5.646 -3.248 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.652 -4.607 -3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.215 -6.120 -4.740 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.933 -7.791 -2.167 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.808 -8.352 -3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.628 -8.314 -2.032 1.00 0.00 H new ATOM 96 N ILE A 6 4.015 -4.521 -5.153 1.00 0.00 N ATOM 97 CA ILE A 6 4.411 -3.179 -5.554 1.00 0.00 C ATOM 98 C ILE A 6 3.191 -2.291 -5.755 1.00 0.00 C ATOM 99 O ILE A 6 2.309 -2.601 -6.555 1.00 0.00 O ATOM 100 CB ILE A 6 5.243 -3.211 -6.855 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.554 -3.967 -6.625 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.521 -1.802 -7.357 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.413 -4.078 -7.864 1.00 0.00 C ATOM 0 H ILE A 6 3.600 -5.076 -5.901 1.00 0.00 H new ATOM 0 HA ILE A 6 5.024 -2.767 -4.753 1.00 0.00 H new ATOM 0 HB ILE A 6 4.666 -3.733 -7.619 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.122 -3.463 -5.843 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.327 -4.968 -6.259 1.00 0.00 H new ATOM 0 HG21 ILE A 6 6.108 -1.852 -8.274 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.577 -1.294 -7.557 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.077 -1.249 -6.600 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.325 -4.625 -7.626 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.863 -4.609 -8.641 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.671 -3.080 -8.219 1.00 0.00 H new ATOM 115 N LEU A 7 3.149 -1.184 -5.028 1.00 0.00 N ATOM 116 CA LEU A 7 2.040 -0.249 -5.128 1.00 0.00 C ATOM 117 C LEU A 7 2.444 0.942 -5.991 1.00 0.00 C ATOM 118 O LEU A 7 2.930 1.958 -5.492 1.00 0.00 O ATOM 119 CB LEU A 7 1.618 0.199 -3.729 1.00 0.00 C ATOM 120 CG LEU A 7 1.501 -0.935 -2.711 1.00 0.00 C ATOM 121 CD1 LEU A 7 0.992 -0.403 -1.381 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.589 -2.031 -3.243 1.00 0.00 C ATOM 0 H LEU A 7 3.872 -0.912 -4.362 1.00 0.00 H new ATOM 0 HA LEU A 7 1.189 -0.737 -5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.340 0.928 -3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.657 0.709 -3.799 1.00 0.00 H new ATOM 0 HG LEU A 7 2.490 -1.364 -2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.914 -1.223 -0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.686 0.346 -0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.011 0.050 -1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.515 -2.832 -2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.402 -1.619 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.000 -2.428 -4.171 1.00 0.00 H new ATOM 134 N ASN A 8 2.269 0.783 -7.300 1.00 0.00 N ATOM 135 CA ASN A 8 2.643 1.813 -8.265 1.00 0.00 C ATOM 136 C ASN A 8 1.487 2.758 -8.583 1.00 0.00 C ATOM 137 O ASN A 8 0.607 2.437 -9.375 1.00 0.00 O ATOM 138 CB ASN A 8 3.139 1.150 -9.550 1.00 0.00 C ATOM 139 CG ASN A 8 3.719 2.141 -10.537 1.00 0.00 C ATOM 140 OD1 ASN A 8 3.067 3.116 -10.915 1.00 0.00 O ATOM 141 ND2 ASN A 8 4.947 1.887 -10.970 1.00 0.00 N ATOM 0 H ASN A 8 1.868 -0.056 -7.719 1.00 0.00 H new ATOM 0 HA ASN A 8 3.436 2.412 -7.818 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.897 0.407 -9.301 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.313 0.617 -10.021 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.389 2.512 -11.644 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.449 1.067 -10.629 1.00 0.00 H new ATOM 148 N GLY A 9 1.511 3.934 -7.971 1.00 0.00 N ATOM 149 CA GLY A 9 0.474 4.924 -8.210 1.00 0.00 C ATOM 150 C GLY A 9 1.035 6.204 -8.794 1.00 0.00 C ATOM 151 O GLY A 9 2.207 6.523 -8.592 1.00 0.00 O ATOM 0 H GLY A 9 2.232 4.223 -7.310 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.271 4.511 -8.890 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.038 5.146 -7.274 1.00 0.00 H new ATOM 155 N LYS A 10 0.203 6.934 -9.527 1.00 0.00 N ATOM 156 CA LYS A 10 0.629 8.181 -10.151 1.00 0.00 C ATOM 157 C LYS A 10 1.232 9.146 -9.128 1.00 0.00 C ATOM 158 O LYS A 10 2.340 9.650 -9.312 1.00 0.00 O ATOM 159 CB LYS A 10 -0.548 8.860 -10.862 1.00 0.00 C ATOM 160 CG LYS A 10 -0.984 8.173 -12.151 1.00 0.00 C ATOM 161 CD LYS A 10 -1.482 6.759 -11.904 1.00 0.00 C ATOM 162 CE LYS A 10 -2.037 6.134 -13.175 1.00 0.00 C ATOM 163 NZ LYS A 10 -1.012 6.063 -14.252 1.00 0.00 N ATOM 0 H LYS A 10 -0.770 6.684 -9.704 1.00 0.00 H new ATOM 0 HA LYS A 10 1.398 7.929 -10.882 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.397 8.898 -10.179 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.275 9.891 -11.088 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.773 8.758 -12.624 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.146 8.145 -12.848 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.666 6.146 -11.522 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.256 6.773 -11.136 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.404 5.131 -12.956 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.890 6.716 -13.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.379 5.498 -15.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.791 7.023 -14.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.148 5.619 -13.880 1.00 0.00 H new ATOM 177 N THR A 11 0.486 9.405 -8.060 1.00 0.00 N ATOM 178 CA THR A 11 0.923 10.316 -7.012 1.00 0.00 C ATOM 179 C THR A 11 1.555 9.567 -5.845 1.00 0.00 C ATOM 180 O THR A 11 2.139 10.179 -4.950 1.00 0.00 O ATOM 181 CB THR A 11 -0.266 11.138 -6.519 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.402 10.311 -6.335 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.654 12.260 -7.460 1.00 0.00 C ATOM 0 H THR A 11 -0.432 8.992 -7.898 1.00 0.00 H new ATOM 0 HA THR A 11 1.681 10.977 -7.433 1.00 0.00 H new ATOM 0 HB THR A 11 0.057 11.579 -5.576 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.207 10.795 -6.614 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.505 12.802 -7.048 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.188 12.942 -7.580 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.924 11.844 -8.430 1.00 0.00 H new ATOM 191 N LEU A 12 1.437 8.247 -5.857 1.00 0.00 N ATOM 192 CA LEU A 12 2.000 7.425 -4.797 1.00 0.00 C ATOM 193 C LEU A 12 2.737 6.229 -5.381 1.00 0.00 C ATOM 194 O LEU A 12 2.236 5.565 -6.278 1.00 0.00 O ATOM 195 CB LEU A 12 0.896 6.960 -3.843 1.00 0.00 C ATOM 196 CG LEU A 12 1.357 6.052 -2.706 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.626 6.599 -2.074 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.259 5.906 -1.663 1.00 0.00 C ATOM 0 H LEU A 12 0.957 7.723 -6.589 1.00 0.00 H new ATOM 0 HA LEU A 12 2.715 8.027 -4.236 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.416 7.839 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.137 6.434 -4.421 1.00 0.00 H new ATOM 0 HG LEU A 12 1.574 5.065 -3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.942 5.941 -1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.413 6.653 -2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.434 7.596 -1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.605 5.255 -0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.012 6.886 -1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.627 5.472 -2.126 1.00 0.00 H new ATOM 210 N LYS A 13 3.927 5.958 -4.864 1.00 0.00 N ATOM 211 CA LYS A 13 4.728 4.832 -5.338 1.00 0.00 C ATOM 212 C LYS A 13 5.487 4.194 -4.183 1.00 0.00 C ATOM 213 O LYS A 13 5.953 4.888 -3.280 1.00 0.00 O ATOM 214 CB LYS A 13 5.704 5.289 -6.423 1.00 0.00 C ATOM 215 CG LYS A 13 5.016 5.815 -7.672 1.00 0.00 C ATOM 216 CD LYS A 13 6.025 6.251 -8.723 1.00 0.00 C ATOM 217 CE LYS A 13 6.889 7.398 -8.225 1.00 0.00 C ATOM 218 NZ LYS A 13 6.077 8.599 -7.880 1.00 0.00 N ATOM 0 H LYS A 13 4.361 6.500 -4.117 1.00 0.00 H new ATOM 0 HA LYS A 13 4.055 4.088 -5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.348 6.069 -6.017 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.348 4.454 -6.697 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.370 5.041 -8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.376 6.657 -7.409 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.660 5.407 -8.992 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.500 6.556 -9.628 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.450 7.075 -7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.619 7.661 -8.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.706 9.415 -7.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.412 8.802 -8.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.546 8.419 -7.004 1.00 0.00 H new ATOM 232 N GLY A 14 5.607 2.871 -4.207 1.00 0.00 N ATOM 233 CA GLY A 14 6.308 2.182 -3.143 1.00 0.00 C ATOM 234 C GLY A 14 6.372 0.683 -3.342 1.00 0.00 C ATOM 235 O GLY A 14 6.087 0.177 -4.428 1.00 0.00 O ATOM 0 H GLY A 14 5.234 2.268 -4.940 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.322 2.576 -3.071 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.815 2.395 -2.195 1.00 0.00 H new ATOM 239 N GLU A 15 6.753 -0.027 -2.286 1.00 0.00 N ATOM 240 CA GLU A 15 6.861 -1.478 -2.333 1.00 0.00 C ATOM 241 C GLU A 15 6.535 -2.087 -0.985 1.00 0.00 C ATOM 242 O GLU A 15 6.846 -1.523 0.064 1.00 0.00 O ATOM 243 CB GLU A 15 8.263 -1.892 -2.778 1.00 0.00 C ATOM 244 CG GLU A 15 8.636 -1.371 -4.157 1.00 0.00 C ATOM 245 CD GLU A 15 10.062 -1.711 -4.547 1.00 0.00 C ATOM 246 OE1 GLU A 15 10.776 -2.319 -3.721 1.00 0.00 O ATOM 247 OE2 GLU A 15 10.468 -1.365 -5.677 1.00 0.00 O ATOM 0 H GLU A 15 6.993 0.383 -1.383 1.00 0.00 H new ATOM 0 HA GLU A 15 6.138 -1.850 -3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.989 -1.528 -2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.330 -2.980 -2.778 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.952 -1.789 -4.896 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.506 -0.289 -4.179 1.00 0.00 H new ATOM 254 N THR A 16 5.888 -3.240 -1.026 1.00 0.00 N ATOM 255 CA THR A 16 5.493 -3.933 0.180 1.00 0.00 C ATOM 256 C THR A 16 5.720 -5.430 0.052 1.00 0.00 C ATOM 257 O THR A 16 6.015 -5.934 -1.032 1.00 0.00 O ATOM 258 CB THR A 16 4.032 -3.633 0.492 1.00 0.00 C ATOM 259 OG1 THR A 16 3.603 -4.377 1.592 1.00 0.00 O ATOM 260 CG2 THR A 16 3.097 -3.915 -0.658 1.00 0.00 C ATOM 0 H THR A 16 5.626 -3.715 -1.890 1.00 0.00 H new ATOM 0 HA THR A 16 6.112 -3.576 1.003 1.00 0.00 H new ATOM 0 HB THR A 16 3.995 -2.564 0.700 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.804 -3.961 1.977 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.075 -3.678 -0.362 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.378 -3.302 -1.514 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.161 -4.969 -0.929 1.00 0.00 H new ATOM 268 N THR A 17 5.603 -6.138 1.168 1.00 0.00 N ATOM 269 CA THR A 17 5.818 -7.581 1.175 1.00 0.00 C ATOM 270 C THR A 17 4.870 -8.314 2.124 1.00 0.00 C ATOM 271 O THR A 17 4.861 -8.069 3.330 1.00 0.00 O ATOM 272 CB THR A 17 7.266 -7.892 1.560 1.00 0.00 C ATOM 273 OG1 THR A 17 7.564 -7.378 2.844 1.00 0.00 O ATOM 274 CG2 THR A 17 8.278 -7.324 0.589 1.00 0.00 C ATOM 0 H THR A 17 5.362 -5.740 2.076 1.00 0.00 H new ATOM 0 HA THR A 17 5.610 -7.937 0.166 1.00 0.00 H new ATOM 0 HB THR A 17 7.343 -8.979 1.544 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.741 -7.321 3.373 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.284 -7.581 0.921 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.105 -7.742 -0.403 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.175 -6.240 0.549 1.00 0.00 H new ATOM 282 N THR A 18 4.095 -9.238 1.561 1.00 0.00 N ATOM 283 CA THR A 18 3.159 -10.050 2.335 1.00 0.00 C ATOM 284 C THR A 18 3.648 -11.497 2.369 1.00 0.00 C ATOM 285 O THR A 18 4.244 -11.977 1.403 1.00 0.00 O ATOM 286 CB THR A 18 1.760 -9.996 1.713 1.00 0.00 C ATOM 287 OG1 THR A 18 0.830 -10.696 2.519 1.00 0.00 O ATOM 288 CG2 THR A 18 1.698 -10.588 0.322 1.00 0.00 C ATOM 0 H THR A 18 4.097 -9.444 0.562 1.00 0.00 H new ATOM 0 HA THR A 18 3.106 -9.655 3.349 1.00 0.00 H new ATOM 0 HB THR A 18 1.512 -8.936 1.649 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.072 -10.592 3.463 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.679 -10.517 -0.059 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.371 -10.039 -0.337 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.000 -11.635 0.358 1.00 0.00 H new ATOM 296 N GLU A 19 3.397 -12.193 3.470 1.00 0.00 N ATOM 297 CA GLU A 19 3.819 -13.584 3.600 1.00 0.00 C ATOM 298 C GLU A 19 2.609 -14.507 3.514 1.00 0.00 C ATOM 299 O GLU A 19 1.683 -14.401 4.320 1.00 0.00 O ATOM 300 CB GLU A 19 4.563 -13.792 4.924 1.00 0.00 C ATOM 301 CG GLU A 19 5.150 -15.186 5.093 1.00 0.00 C ATOM 302 CD GLU A 19 4.116 -16.228 5.482 1.00 0.00 C ATOM 303 OE1 GLU A 19 2.969 -15.844 5.791 1.00 0.00 O ATOM 304 OE2 GLU A 19 4.462 -17.428 5.498 1.00 0.00 O ATOM 0 H GLU A 19 2.906 -11.821 4.283 1.00 0.00 H new ATOM 0 HA GLU A 19 4.499 -13.825 2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.367 -13.059 4.996 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.878 -13.595 5.749 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.627 -15.488 4.161 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.929 -15.155 5.854 1.00 0.00 H new ATOM 311 N ALA A 20 2.606 -15.404 2.531 1.00 0.00 N ATOM 312 CA ALA A 20 1.490 -16.323 2.353 1.00 0.00 C ATOM 313 C ALA A 20 1.939 -17.656 1.759 1.00 0.00 C ATOM 314 O ALA A 20 2.943 -17.733 1.050 1.00 0.00 O ATOM 315 CB ALA A 20 0.424 -15.687 1.475 1.00 0.00 C ATOM 0 H ALA A 20 3.359 -15.512 1.851 1.00 0.00 H new ATOM 0 HA ALA A 20 1.071 -16.529 3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.406 -16.383 1.348 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.063 -14.773 1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.850 -15.449 0.500 1.00 0.00 H new ATOM 321 N VAL A 21 1.188 -18.706 2.078 1.00 0.00 N ATOM 322 CA VAL A 21 1.494 -20.057 1.611 1.00 0.00 C ATOM 323 C VAL A 21 1.716 -20.097 0.099 1.00 0.00 C ATOM 324 O VAL A 21 2.429 -20.962 -0.408 1.00 0.00 O ATOM 325 CB VAL A 21 0.364 -21.037 1.974 1.00 0.00 C ATOM 326 CG1 VAL A 21 0.745 -22.461 1.598 1.00 0.00 C ATOM 327 CG2 VAL A 21 0.026 -20.934 3.453 1.00 0.00 C ATOM 0 H VAL A 21 0.355 -18.647 2.664 1.00 0.00 H new ATOM 0 HA VAL A 21 2.414 -20.358 2.111 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.525 -20.767 1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.068 -23.137 1.863 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.928 -22.517 0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.648 -22.750 2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.775 -21.634 3.693 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.908 -21.176 4.046 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.298 -19.919 3.682 1.00 0.00 H new ATOM 337 N ASP A 22 1.114 -19.152 -0.615 1.00 0.00 N ATOM 338 CA ASP A 22 1.272 -19.089 -2.068 1.00 0.00 C ATOM 339 C ASP A 22 0.937 -17.700 -2.604 1.00 0.00 C ATOM 340 O ASP A 22 0.519 -16.818 -1.854 1.00 0.00 O ATOM 341 CB ASP A 22 0.409 -20.151 -2.756 1.00 0.00 C ATOM 342 CG ASP A 22 -1.075 -19.940 -2.535 1.00 0.00 C ATOM 343 OD1 ASP A 22 -1.442 -18.940 -1.887 1.00 0.00 O ATOM 344 OD2 ASP A 22 -1.873 -20.774 -3.014 1.00 0.00 O ATOM 0 H ASP A 22 0.518 -18.425 -0.219 1.00 0.00 H new ATOM 0 HA ASP A 22 2.319 -19.293 -2.294 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.616 -20.143 -3.826 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.690 -21.136 -2.384 1.00 0.00 H new ATOM 349 N ALA A 23 1.138 -17.511 -3.903 1.00 0.00 N ATOM 350 CA ALA A 23 0.875 -16.226 -4.541 1.00 0.00 C ATOM 351 C ALA A 23 -0.568 -15.784 -4.342 1.00 0.00 C ATOM 352 O ALA A 23 -0.832 -14.612 -4.071 1.00 0.00 O ATOM 353 CB ALA A 23 1.210 -16.291 -6.024 1.00 0.00 C ATOM 0 H ALA A 23 1.483 -18.232 -4.536 1.00 0.00 H new ATOM 0 HA ALA A 23 1.516 -15.484 -4.065 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.008 -15.324 -6.485 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.264 -16.539 -6.148 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.598 -17.056 -6.502 1.00 0.00 H new ATOM 359 N ALA A 24 -1.498 -16.719 -4.464 1.00 0.00 N ATOM 360 CA ALA A 24 -2.908 -16.402 -4.282 1.00 0.00 C ATOM 361 C ALA A 24 -3.158 -15.935 -2.858 1.00 0.00 C ATOM 362 O ALA A 24 -3.672 -14.839 -2.639 1.00 0.00 O ATOM 363 CB ALA A 24 -3.779 -17.603 -4.619 1.00 0.00 C ATOM 0 H ALA A 24 -1.305 -17.696 -4.686 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.175 -15.594 -4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.828 -17.343 -4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.615 -17.892 -5.657 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.519 -18.436 -3.966 1.00 0.00 H new ATOM 369 N THR A 25 -2.764 -16.754 -1.885 1.00 0.00 N ATOM 370 CA THR A 25 -2.920 -16.391 -0.489 1.00 0.00 C ATOM 371 C THR A 25 -2.323 -15.012 -0.263 1.00 0.00 C ATOM 372 O THR A 25 -2.940 -14.148 0.357 1.00 0.00 O ATOM 373 CB THR A 25 -2.235 -17.424 0.408 1.00 0.00 C ATOM 374 OG1 THR A 25 -0.880 -17.595 0.038 1.00 0.00 O ATOM 375 CG2 THR A 25 -2.901 -18.784 0.378 1.00 0.00 C ATOM 0 H THR A 25 -2.337 -17.667 -2.042 1.00 0.00 H new ATOM 0 HA THR A 25 -3.980 -16.371 -0.235 1.00 0.00 H new ATOM 0 HB THR A 25 -2.317 -17.024 1.419 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.811 -17.646 -0.938 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.364 -19.467 1.036 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.933 -18.691 0.716 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.886 -19.174 -0.640 1.00 0.00 H new ATOM 383 N ALA A 26 -1.125 -14.801 -0.809 1.00 0.00 N ATOM 384 CA ALA A 26 -0.463 -13.514 -0.701 1.00 0.00 C ATOM 385 C ALA A 26 -1.339 -12.445 -1.336 1.00 0.00 C ATOM 386 O ALA A 26 -1.663 -11.437 -0.708 1.00 0.00 O ATOM 387 CB ALA A 26 0.904 -13.556 -1.370 1.00 0.00 C ATOM 0 H ALA A 26 -0.600 -15.506 -1.327 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.311 -13.275 0.352 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.384 -12.582 -1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.523 -14.312 -0.887 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.785 -13.804 -2.425 1.00 0.00 H new ATOM 393 N GLU A 27 -1.739 -12.685 -2.585 1.00 0.00 N ATOM 394 CA GLU A 27 -2.596 -11.759 -3.306 1.00 0.00 C ATOM 395 C GLU A 27 -3.840 -11.437 -2.484 1.00 0.00 C ATOM 396 O GLU A 27 -4.219 -10.275 -2.344 1.00 0.00 O ATOM 397 CB GLU A 27 -2.991 -12.353 -4.664 1.00 0.00 C ATOM 398 CG GLU A 27 -3.848 -11.430 -5.518 1.00 0.00 C ATOM 399 CD GLU A 27 -5.303 -11.395 -5.085 1.00 0.00 C ATOM 400 OE1 GLU A 27 -5.684 -12.204 -4.213 1.00 0.00 O ATOM 401 OE2 GLU A 27 -6.064 -10.570 -5.631 1.00 0.00 O ATOM 0 H GLU A 27 -1.479 -13.517 -3.115 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.046 -10.833 -3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.085 -12.605 -5.216 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.533 -13.284 -4.498 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.438 -10.421 -5.475 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.793 -11.752 -6.558 1.00 0.00 H new ATOM 408 N LYS A 28 -4.463 -12.479 -1.936 1.00 0.00 N ATOM 409 CA LYS A 28 -5.660 -12.317 -1.118 1.00 0.00 C ATOM 410 C LYS A 28 -5.363 -11.495 0.128 1.00 0.00 C ATOM 411 O LYS A 28 -6.106 -10.573 0.468 1.00 0.00 O ATOM 412 CB LYS A 28 -6.216 -13.684 -0.716 1.00 0.00 C ATOM 413 CG LYS A 28 -6.711 -14.506 -1.893 1.00 0.00 C ATOM 414 CD LYS A 28 -7.820 -13.785 -2.637 1.00 0.00 C ATOM 415 CE LYS A 28 -8.336 -14.609 -3.807 1.00 0.00 C ATOM 416 NZ LYS A 28 -8.892 -15.919 -3.366 1.00 0.00 N ATOM 0 H LYS A 28 -4.157 -13.446 -2.045 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.404 -11.787 -1.712 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.440 -14.243 -0.193 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.036 -13.541 -0.012 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.884 -14.707 -2.574 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.074 -15.471 -1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.640 -13.572 -1.951 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.451 -12.826 -3.001 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.107 -14.047 -4.334 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.525 -14.779 -4.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.440 -16.342 -4.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.113 -16.556 -3.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.512 -15.774 -2.544 1.00 0.00 H new ATOM 430 N VAL A 29 -4.267 -11.825 0.801 1.00 0.00 N ATOM 431 CA VAL A 29 -3.871 -11.105 2.003 1.00 0.00 C ATOM 432 C VAL A 29 -3.688 -9.630 1.689 1.00 0.00 C ATOM 433 O VAL A 29 -4.068 -8.762 2.476 1.00 0.00 O ATOM 434 CB VAL A 29 -2.568 -11.673 2.601 1.00 0.00 C ATOM 435 CG1 VAL A 29 -2.176 -10.919 3.864 1.00 0.00 C ATOM 436 CG2 VAL A 29 -2.716 -13.159 2.889 1.00 0.00 C ATOM 0 H VAL A 29 -3.639 -12.584 0.535 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.664 -11.229 2.740 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.772 -11.541 1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.254 -11.338 4.267 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.022 -9.866 3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.971 -11.012 4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.787 -13.542 3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.528 -13.313 3.600 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.940 -13.689 1.963 1.00 0.00 H new ATOM 446 N VAL A 30 -3.133 -9.353 0.517 1.00 0.00 N ATOM 447 CA VAL A 30 -2.934 -7.985 0.084 1.00 0.00 C ATOM 448 C VAL A 30 -4.293 -7.313 -0.098 1.00 0.00 C ATOM 449 O VAL A 30 -4.522 -6.210 0.393 1.00 0.00 O ATOM 450 CB VAL A 30 -2.134 -7.928 -1.231 1.00 0.00 C ATOM 451 CG1 VAL A 30 -1.932 -6.489 -1.688 1.00 0.00 C ATOM 452 CG2 VAL A 30 -0.795 -8.630 -1.065 1.00 0.00 C ATOM 0 H VAL A 30 -2.815 -10.059 -0.147 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.360 -7.457 0.846 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.707 -8.446 -2.000 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.364 -6.479 -2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.902 -6.019 -1.850 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.385 -5.938 -0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.240 -8.582 -2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.222 -8.139 -0.279 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.962 -9.673 -0.795 1.00 0.00 H new ATOM 462 N LYS A 31 -5.209 -7.997 -0.795 1.00 0.00 N ATOM 463 CA LYS A 31 -6.552 -7.463 -1.013 1.00 0.00 C ATOM 464 C LYS A 31 -7.148 -6.992 0.306 1.00 0.00 C ATOM 465 O LYS A 31 -7.625 -5.863 0.419 1.00 0.00 O ATOM 466 CB LYS A 31 -7.482 -8.516 -1.628 1.00 0.00 C ATOM 467 CG LYS A 31 -7.034 -9.043 -2.980 1.00 0.00 C ATOM 468 CD LYS A 31 -6.875 -7.943 -4.015 1.00 0.00 C ATOM 469 CE LYS A 31 -8.212 -7.396 -4.476 1.00 0.00 C ATOM 470 NZ LYS A 31 -8.834 -6.516 -3.454 1.00 0.00 N ATOM 0 H LYS A 31 -5.044 -8.913 -1.213 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.463 -6.626 -1.706 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.568 -9.354 -0.936 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.478 -8.086 -1.732 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.085 -9.567 -2.865 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.760 -9.772 -3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.278 -7.134 -3.594 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.327 -8.330 -4.874 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.075 -6.837 -5.402 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.885 -8.224 -4.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.705 -6.959 -3.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.170 -6.375 -2.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.064 -5.596 -3.881 1.00 0.00 H new ATOM 484 N GLN A 32 -7.108 -7.871 1.303 1.00 0.00 N ATOM 485 CA GLN A 32 -7.641 -7.554 2.621 1.00 0.00 C ATOM 486 C GLN A 32 -6.937 -6.328 3.187 1.00 0.00 C ATOM 487 O GLN A 32 -7.556 -5.472 3.819 1.00 0.00 O ATOM 488 CB GLN A 32 -7.473 -8.744 3.567 1.00 0.00 C ATOM 489 CG GLN A 32 -8.241 -8.596 4.872 1.00 0.00 C ATOM 490 CD GLN A 32 -9.755 -8.575 4.691 1.00 0.00 C ATOM 491 OE1 GLN A 32 -10.236 -8.832 3.473 1.00 0.00 O flip ATOM 492 NE2 GLN A 32 -10.493 -8.343 5.649 1.00 0.00 N flip ATOM 0 H GLN A 32 -6.712 -8.807 1.222 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.705 -7.338 2.524 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.805 -9.650 3.060 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.414 -8.873 3.791 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.974 -9.418 5.536 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.930 -7.675 5.365 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -10.092 -8.150 6.567 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.505 -8.343 5.525 1.00 0.00 H new ATOM 501 N PHE A 33 -5.635 -6.250 2.939 1.00 0.00 N ATOM 502 CA PHE A 33 -4.823 -5.130 3.400 1.00 0.00 C ATOM 503 C PHE A 33 -5.475 -3.807 2.991 1.00 0.00 C ATOM 504 O PHE A 33 -5.953 -3.044 3.830 1.00 0.00 O ATOM 505 CB PHE A 33 -3.415 -5.248 2.799 1.00 0.00 C ATOM 506 CG PHE A 33 -2.399 -4.355 3.437 1.00 0.00 C ATOM 507 CD1 PHE A 33 -2.116 -4.468 4.789 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.726 -3.398 2.689 1.00 0.00 C ATOM 509 CE1 PHE A 33 -1.182 -3.644 5.383 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.792 -2.574 3.281 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.519 -2.697 4.630 1.00 0.00 C ATOM 0 H PHE A 33 -5.115 -6.955 2.417 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.750 -5.152 4.487 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.080 -6.282 2.887 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.466 -5.019 1.735 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.631 -5.208 5.383 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.936 -3.298 1.634 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.970 -3.740 6.438 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.274 -1.833 2.690 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.213 -2.052 5.094 1.00 0.00 H new ATOM 521 N PHE A 34 -5.487 -3.560 1.689 1.00 0.00 N ATOM 522 CA PHE A 34 -6.079 -2.346 1.134 1.00 0.00 C ATOM 523 C PHE A 34 -7.580 -2.321 1.379 1.00 0.00 C ATOM 524 O PHE A 34 -8.154 -1.274 1.673 1.00 0.00 O ATOM 525 CB PHE A 34 -5.756 -2.253 -0.347 1.00 0.00 C ATOM 526 CG PHE A 34 -4.285 -2.320 -0.583 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.437 -1.448 0.076 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.746 -3.264 -1.431 1.00 0.00 C ATOM 529 CE1 PHE A 34 -2.074 -1.516 -0.109 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.381 -3.337 -1.627 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.545 -2.462 -0.962 1.00 0.00 C ATOM 0 H PHE A 34 -5.091 -4.188 0.990 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.654 -1.476 1.635 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.250 -3.064 -0.881 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.150 -1.320 -0.750 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.849 -0.705 0.743 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.398 -3.953 -1.947 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.422 -0.831 0.412 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.969 -4.076 -2.298 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.477 -2.518 -1.110 1.00 0.00 H new ATOM 541 N ASN A 35 -8.204 -3.485 1.289 1.00 0.00 N ATOM 542 CA ASN A 35 -9.634 -3.604 1.535 1.00 0.00 C ATOM 543 C ASN A 35 -9.977 -2.974 2.883 1.00 0.00 C ATOM 544 O ASN A 35 -11.015 -2.333 3.049 1.00 0.00 O ATOM 545 CB ASN A 35 -10.024 -5.081 1.547 1.00 0.00 C ATOM 546 CG ASN A 35 -11.501 -5.297 1.780 1.00 0.00 C ATOM 547 OD1 ASN A 35 -12.081 -4.772 2.730 1.00 0.00 O ATOM 548 ND2 ASN A 35 -12.111 -6.094 0.918 1.00 0.00 N ATOM 0 H ASN A 35 -7.743 -4.362 1.047 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.183 -3.088 0.747 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.741 -5.534 0.597 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.460 -5.594 2.325 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.105 -6.296 1.026 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.587 -6.506 0.146 1.00 0.00 H new ATOM 555 N ASP A 36 -9.079 -3.185 3.841 1.00 0.00 N ATOM 556 CA ASP A 36 -9.244 -2.665 5.196 1.00 0.00 C ATOM 557 C ASP A 36 -8.544 -1.317 5.393 1.00 0.00 C ATOM 558 O ASP A 36 -8.946 -0.529 6.251 1.00 0.00 O ATOM 559 CB ASP A 36 -8.720 -3.677 6.216 1.00 0.00 C ATOM 560 CG ASP A 36 -9.446 -5.006 6.141 1.00 0.00 C ATOM 561 OD1 ASP A 36 -10.356 -5.141 5.295 1.00 0.00 O ATOM 562 OD2 ASP A 36 -9.105 -5.914 6.929 1.00 0.00 O ATOM 0 H ASP A 36 -8.221 -3.718 3.702 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.311 -2.504 5.350 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.655 -3.838 6.049 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.826 -3.265 7.219 1.00 0.00 H new ATOM 567 N ASN A 37 -7.506 -1.043 4.604 1.00 0.00 N ATOM 568 CA ASN A 37 -6.785 0.228 4.720 1.00 0.00 C ATOM 569 C ASN A 37 -7.560 1.333 4.018 1.00 0.00 C ATOM 570 O ASN A 37 -7.670 2.451 4.522 1.00 0.00 O ATOM 571 CB ASN A 37 -5.384 0.132 4.107 1.00 0.00 C ATOM 572 CG ASN A 37 -4.502 -0.888 4.793 1.00 0.00 C ATOM 573 OD1 ASN A 37 -4.450 -0.958 6.021 1.00 0.00 O ATOM 574 ND2 ASN A 37 -3.774 -1.666 3.998 1.00 0.00 N ATOM 0 H ASN A 37 -7.148 -1.673 3.886 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.687 0.457 5.781 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.473 -0.125 3.052 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.905 1.110 4.157 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.140 -2.356 4.401 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.850 -1.573 2.985 1.00 0.00 H new ATOM 581 N GLY A 38 -8.075 0.984 2.840 1.00 0.00 N ATOM 582 CA GLY A 38 -8.845 1.888 1.999 1.00 0.00 C ATOM 583 C GLY A 38 -9.214 3.224 2.624 1.00 0.00 C ATOM 584 O GLY A 38 -8.356 4.074 2.864 1.00 0.00 O ATOM 0 H GLY A 38 -7.965 0.052 2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.277 2.079 1.089 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.763 1.382 1.701 1.00 0.00 H new ATOM 588 N VAL A 39 -10.515 3.432 2.802 1.00 0.00 N ATOM 589 CA VAL A 39 -11.035 4.697 3.311 1.00 0.00 C ATOM 590 C VAL A 39 -10.951 4.871 4.829 1.00 0.00 C ATOM 591 O VAL A 39 -10.418 5.876 5.302 1.00 0.00 O ATOM 592 CB VAL A 39 -12.493 4.897 2.855 1.00 0.00 C ATOM 593 CG1 VAL A 39 -13.078 6.175 3.443 1.00 0.00 C ATOM 594 CG2 VAL A 39 -12.566 4.922 1.335 1.00 0.00 C ATOM 0 H VAL A 39 -11.233 2.736 2.600 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.381 5.459 2.887 1.00 0.00 H new ATOM 0 HB VAL A 39 -13.087 4.059 3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -14.108 6.293 3.106 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -13.057 6.118 4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -12.488 7.030 3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -13.601 5.064 1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.957 5.742 0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.193 3.978 0.937 1.00 0.00 H new ATOM 604 N ASP A 40 -11.511 3.948 5.596 1.00 0.00 N ATOM 605 CA ASP A 40 -11.519 4.085 7.055 1.00 0.00 C ATOM 606 C ASP A 40 -10.335 3.402 7.737 1.00 0.00 C ATOM 607 O ASP A 40 -10.431 3.017 8.902 1.00 0.00 O ATOM 608 CB ASP A 40 -12.825 3.528 7.623 1.00 0.00 C ATOM 609 CG ASP A 40 -14.044 4.251 7.089 1.00 0.00 C ATOM 610 OD1 ASP A 40 -14.246 4.247 5.856 1.00 0.00 O ATOM 611 OD2 ASP A 40 -14.799 4.824 7.904 1.00 0.00 O ATOM 0 H ASP A 40 -11.962 3.104 5.244 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.432 5.151 7.264 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.900 2.468 7.381 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.807 3.606 8.710 1.00 0.00 H new ATOM 616 N GLY A 41 -9.225 3.256 7.028 1.00 0.00 N ATOM 617 CA GLY A 41 -8.061 2.622 7.622 1.00 0.00 C ATOM 618 C GLY A 41 -7.489 3.427 8.780 1.00 0.00 C ATOM 619 O GLY A 41 -7.480 4.656 8.742 1.00 0.00 O ATOM 0 H GLY A 41 -9.107 3.561 6.062 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.333 1.627 7.974 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.293 2.492 6.860 1.00 0.00 H new ATOM 623 N GLU A 42 -7.005 2.728 9.805 1.00 0.00 N ATOM 624 CA GLU A 42 -6.422 3.385 10.976 1.00 0.00 C ATOM 625 C GLU A 42 -4.992 3.824 10.679 1.00 0.00 C ATOM 626 O GLU A 42 -4.059 3.026 10.762 1.00 0.00 O ATOM 627 CB GLU A 42 -6.438 2.441 12.180 1.00 0.00 C ATOM 628 CG GLU A 42 -7.832 1.997 12.587 1.00 0.00 C ATOM 629 CD GLU A 42 -8.719 3.160 12.988 1.00 0.00 C ATOM 630 OE1 GLU A 42 -8.364 3.876 13.948 1.00 0.00 O ATOM 631 OE2 GLU A 42 -9.771 3.355 12.342 1.00 0.00 O ATOM 0 H GLU A 42 -7.004 1.709 9.850 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.020 4.265 11.211 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.839 1.561 11.949 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.962 2.937 13.026 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.295 1.460 11.759 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.758 1.297 13.419 1.00 0.00 H new ATOM 638 N TRP A 43 -4.829 5.090 10.304 1.00 0.00 N ATOM 639 CA TRP A 43 -3.510 5.616 9.964 1.00 0.00 C ATOM 640 C TRP A 43 -2.995 6.611 11.001 1.00 0.00 C ATOM 641 O TRP A 43 -3.712 7.525 11.410 1.00 0.00 O ATOM 642 CB TRP A 43 -3.547 6.342 8.620 1.00 0.00 C ATOM 643 CG TRP A 43 -4.156 5.581 7.480 1.00 0.00 C ATOM 644 CD1 TRP A 43 -4.862 4.410 7.519 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.109 5.972 6.110 1.00 0.00 C ATOM 646 NE1 TRP A 43 -5.261 4.060 6.250 1.00 0.00 N ATOM 647 CE2 TRP A 43 -4.808 5.004 5.370 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.542 7.056 5.440 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -4.953 5.091 3.991 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.684 7.140 4.073 1.00 0.00 C ATOM 651 CH2 TRP A 43 -4.385 6.161 3.359 1.00 0.00 C ATOM 0 H TRP A 43 -5.588 5.767 10.228 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.845 4.753 9.927 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.100 7.272 8.747 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.527 6.612 8.347 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.075 3.844 8.414 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.805 3.233 6.005 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.001 7.816 5.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.496 4.339 3.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -3.248 7.974 3.543 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.479 6.253 2.287 1.00 0.00 H new ATOM 662 N THR A 44 -1.731 6.458 11.379 1.00 0.00 N ATOM 663 CA THR A 44 -1.091 7.372 12.317 1.00 0.00 C ATOM 664 C THR A 44 -0.026 8.171 11.569 1.00 0.00 C ATOM 665 O THR A 44 0.644 7.636 10.686 1.00 0.00 O ATOM 666 CB THR A 44 -0.469 6.610 13.490 1.00 0.00 C ATOM 667 OG1 THR A 44 0.469 5.657 13.028 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.489 5.879 14.336 1.00 0.00 C ATOM 0 H THR A 44 -1.127 5.706 11.048 1.00 0.00 H new ATOM 0 HA THR A 44 -1.839 8.049 12.730 1.00 0.00 H new ATOM 0 HB THR A 44 0.012 7.370 14.106 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.114 6.094 12.434 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.982 5.360 15.149 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.199 6.595 14.749 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.021 5.155 13.719 1.00 0.00 H new ATOM 676 N TYR A 45 0.113 9.454 11.887 1.00 0.00 N ATOM 677 CA TYR A 45 1.083 10.300 11.193 1.00 0.00 C ATOM 678 C TYR A 45 2.243 10.720 12.093 1.00 0.00 C ATOM 679 O TYR A 45 2.065 10.977 13.283 1.00 0.00 O ATOM 680 CB TYR A 45 0.384 11.544 10.635 1.00 0.00 C ATOM 681 CG TYR A 45 1.306 12.474 9.876 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.203 11.983 8.936 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.274 13.845 10.099 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.042 12.830 8.240 1.00 0.00 C ATOM 685 CE2 TYR A 45 2.110 14.699 9.406 1.00 0.00 C ATOM 686 CZ TYR A 45 2.992 14.188 8.478 1.00 0.00 C ATOM 687 OH TYR A 45 3.826 15.037 7.787 1.00 0.00 O ATOM 0 H TYR A 45 -0.426 9.928 12.612 1.00 0.00 H new ATOM 0 HA TYR A 45 1.502 9.708 10.379 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.424 11.230 9.974 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.073 12.093 11.459 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.245 10.921 8.746 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.585 14.249 10.825 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.734 12.432 7.513 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.073 15.762 9.591 1.00 0.00 H new ATOM 0 HH TYR A 45 3.663 15.960 8.073 1.00 0.00 H new ATOM 697 N ASP A 46 3.429 10.809 11.493 1.00 0.00 N ATOM 698 CA ASP A 46 4.633 11.220 12.205 1.00 0.00 C ATOM 699 C ASP A 46 5.264 12.428 11.512 1.00 0.00 C ATOM 700 O ASP A 46 6.194 12.286 10.721 1.00 0.00 O ATOM 701 CB ASP A 46 5.637 10.066 12.268 1.00 0.00 C ATOM 702 CG ASP A 46 6.901 10.438 13.017 1.00 0.00 C ATOM 703 OD1 ASP A 46 7.589 11.387 12.588 1.00 0.00 O ATOM 704 OD2 ASP A 46 7.203 9.779 14.036 1.00 0.00 O ATOM 0 H ASP A 46 3.580 10.599 10.506 1.00 0.00 H new ATOM 0 HA ASP A 46 4.359 11.498 13.223 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.170 9.208 12.753 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.896 9.758 11.255 1.00 0.00 H new ATOM 709 N ASP A 47 4.737 13.614 11.806 1.00 0.00 N ATOM 710 CA ASP A 47 5.228 14.855 11.202 1.00 0.00 C ATOM 711 C ASP A 47 6.754 14.939 11.222 1.00 0.00 C ATOM 712 O ASP A 47 7.366 15.460 10.289 1.00 0.00 O ATOM 713 CB ASP A 47 4.636 16.062 11.931 1.00 0.00 C ATOM 714 CG ASP A 47 3.122 16.092 11.865 1.00 0.00 C ATOM 715 OD1 ASP A 47 2.487 15.129 12.344 1.00 0.00 O ATOM 716 OD2 ASP A 47 2.571 17.079 11.334 1.00 0.00 O ATOM 0 H ASP A 47 3.966 13.744 12.461 1.00 0.00 H new ATOM 0 HA ASP A 47 4.909 14.858 10.160 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.951 16.043 12.974 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.034 16.978 11.494 1.00 0.00 H new ATOM 721 N ALA A 48 7.363 14.446 12.295 1.00 0.00 N ATOM 722 CA ALA A 48 8.816 14.489 12.444 1.00 0.00 C ATOM 723 C ALA A 48 9.539 13.955 11.207 1.00 0.00 C ATOM 724 O ALA A 48 10.634 14.411 10.878 1.00 0.00 O ATOM 725 CB ALA A 48 9.236 13.703 13.676 1.00 0.00 C ATOM 0 H ALA A 48 6.873 14.011 13.077 1.00 0.00 H new ATOM 0 HA ALA A 48 9.102 15.534 12.562 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.320 13.740 13.779 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.772 14.138 14.561 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.917 12.666 13.572 1.00 0.00 H new ATOM 731 N THR A 49 8.927 12.993 10.527 1.00 0.00 N ATOM 732 CA THR A 49 9.530 12.412 9.329 1.00 0.00 C ATOM 733 C THR A 49 8.559 12.410 8.149 1.00 0.00 C ATOM 734 O THR A 49 8.798 11.740 7.144 1.00 0.00 O ATOM 735 CB THR A 49 9.997 10.983 9.614 1.00 0.00 C ATOM 736 OG1 THR A 49 8.909 10.169 10.014 1.00 0.00 O ATOM 737 CG2 THR A 49 11.052 10.903 10.696 1.00 0.00 C ATOM 0 H THR A 49 8.021 12.600 10.780 1.00 0.00 H new ATOM 0 HA THR A 49 10.386 13.031 9.060 1.00 0.00 H new ATOM 0 HB THR A 49 10.431 10.630 8.679 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.516 10.529 10.837 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.339 9.862 10.848 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.926 11.480 10.395 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.652 11.309 11.625 1.00 0.00 H new ATOM 745 N LYS A 50 7.455 13.146 8.277 1.00 0.00 N ATOM 746 CA LYS A 50 6.453 13.198 7.214 1.00 0.00 C ATOM 747 C LYS A 50 6.087 11.793 6.749 1.00 0.00 C ATOM 748 O LYS A 50 5.818 11.565 5.568 1.00 0.00 O ATOM 749 CB LYS A 50 6.949 14.020 6.022 1.00 0.00 C ATOM 750 CG LYS A 50 6.823 15.522 6.213 1.00 0.00 C ATOM 751 CD LYS A 50 7.868 16.062 7.171 1.00 0.00 C ATOM 752 CE LYS A 50 9.262 15.982 6.570 1.00 0.00 C ATOM 753 NZ LYS A 50 10.297 16.537 7.486 1.00 0.00 N ATOM 0 H LYS A 50 7.233 13.709 9.098 1.00 0.00 H new ATOM 0 HA LYS A 50 5.567 13.682 7.625 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.994 13.774 5.834 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.388 13.729 5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.923 16.020 5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.828 15.757 6.591 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.636 17.098 7.420 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.838 15.496 8.102 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.499 14.943 6.342 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.282 16.528 5.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.233 16.463 7.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.086 17.536 7.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.296 16.000 8.377 1.00 0.00 H new ATOM 767 N THR A 51 6.100 10.849 7.684 1.00 0.00 N ATOM 768 CA THR A 51 5.785 9.465 7.367 1.00 0.00 C ATOM 769 C THR A 51 4.538 8.996 8.112 1.00 0.00 C ATOM 770 O THR A 51 4.383 9.245 9.308 1.00 0.00 O ATOM 771 CB THR A 51 6.971 8.563 7.716 1.00 0.00 C ATOM 772 OG1 THR A 51 8.127 8.956 6.998 1.00 0.00 O ATOM 773 CG2 THR A 51 6.722 7.102 7.418 1.00 0.00 C ATOM 0 H THR A 51 6.325 11.018 8.664 1.00 0.00 H new ATOM 0 HA THR A 51 5.585 9.402 6.297 1.00 0.00 H new ATOM 0 HB THR A 51 7.113 8.678 8.791 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.324 9.897 7.186 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.603 6.520 7.689 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.865 6.754 7.995 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.518 6.977 6.355 1.00 0.00 H new ATOM 781 N PHE A 52 3.658 8.310 7.393 1.00 0.00 N ATOM 782 CA PHE A 52 2.424 7.790 7.975 1.00 0.00 C ATOM 783 C PHE A 52 2.509 6.274 8.106 1.00 0.00 C ATOM 784 O PHE A 52 3.162 5.621 7.302 1.00 0.00 O ATOM 785 CB PHE A 52 1.224 8.162 7.099 1.00 0.00 C ATOM 786 CG PHE A 52 1.123 9.629 6.784 1.00 0.00 C ATOM 787 CD1 PHE A 52 2.090 10.253 6.010 1.00 0.00 C ATOM 788 CD2 PHE A 52 0.057 10.382 7.251 1.00 0.00 C ATOM 789 CE1 PHE A 52 1.996 11.599 5.710 1.00 0.00 C ATOM 790 CE2 PHE A 52 -0.041 11.728 6.953 1.00 0.00 C ATOM 791 CZ PHE A 52 0.928 12.338 6.183 1.00 0.00 C ATOM 0 H PHE A 52 3.776 8.100 6.402 1.00 0.00 H new ATOM 0 HA PHE A 52 2.293 8.232 8.963 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.284 7.604 6.164 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.310 7.846 7.601 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.926 9.680 5.637 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.705 9.912 7.854 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.756 12.073 5.107 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.877 12.303 7.323 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.852 13.390 5.951 1.00 0.00 H new ATOM 801 N THR A 53 1.855 5.709 9.116 1.00 0.00 N ATOM 802 CA THR A 53 1.884 4.261 9.310 1.00 0.00 C ATOM 803 C THR A 53 0.484 3.654 9.279 1.00 0.00 C ATOM 804 O THR A 53 -0.331 3.884 10.172 1.00 0.00 O ATOM 805 CB THR A 53 2.584 3.899 10.623 1.00 0.00 C ATOM 806 OG1 THR A 53 2.230 4.801 11.652 1.00 0.00 O ATOM 807 CG2 THR A 53 4.094 3.878 10.512 1.00 0.00 C ATOM 0 H THR A 53 1.305 6.222 9.805 1.00 0.00 H new ATOM 0 HA THR A 53 2.450 3.840 8.479 1.00 0.00 H new ATOM 0 HB THR A 53 2.245 2.891 10.860 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.361 4.546 12.026 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.526 3.615 11.477 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.394 3.141 9.767 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.450 4.863 10.212 1.00 0.00 H new ATOM 815 N VAL A 54 0.231 2.860 8.243 1.00 0.00 N ATOM 816 CA VAL A 54 -1.052 2.188 8.081 1.00 0.00 C ATOM 817 C VAL A 54 -1.007 0.811 8.739 1.00 0.00 C ATOM 818 O VAL A 54 -0.345 -0.101 8.243 1.00 0.00 O ATOM 819 CB VAL A 54 -1.431 2.044 6.589 1.00 0.00 C ATOM 820 CG1 VAL A 54 -2.773 1.340 6.437 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.458 3.409 5.918 1.00 0.00 C ATOM 0 H VAL A 54 0.902 2.666 7.500 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.813 2.800 8.565 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.674 1.432 6.098 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.019 1.250 5.379 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.715 0.347 6.882 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.547 1.919 6.941 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.726 3.293 4.868 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.194 4.043 6.413 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.473 3.870 5.992 1.00 0.00 H new ATOM 831 N THR A 55 -1.698 0.674 9.868 1.00 0.00 N ATOM 832 CA THR A 55 -1.713 -0.588 10.600 1.00 0.00 C ATOM 833 C THR A 55 -3.024 -1.340 10.403 1.00 0.00 C ATOM 834 O THR A 55 -4.096 -0.837 10.742 1.00 0.00 O ATOM 835 CB THR A 55 -1.476 -0.340 12.090 1.00 0.00 C ATOM 836 OG1 THR A 55 -0.293 0.413 12.290 1.00 0.00 O ATOM 837 CG2 THR A 55 -1.344 -1.616 12.891 1.00 0.00 C ATOM 0 H THR A 55 -2.252 1.417 10.293 1.00 0.00 H new ATOM 0 HA THR A 55 -0.908 -1.206 10.202 1.00 0.00 H new ATOM 0 HB THR A 55 -2.355 0.203 12.438 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.159 0.563 13.249 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.177 -1.371 13.940 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.258 -2.202 12.796 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.501 -2.196 12.515 1.00 0.00 H new ATOM 845 N GLU A 56 -2.934 -2.549 9.849 1.00 0.00 N ATOM 846 CA GLU A 56 -4.118 -3.366 9.609 1.00 0.00 C ATOM 847 C GLU A 56 -4.847 -3.664 10.915 1.00 0.00 C ATOM 848 O GLU A 56 -6.078 -3.870 10.869 1.00 0.00 O ATOM 849 CB GLU A 56 -3.728 -4.674 8.917 1.00 0.00 C ATOM 850 CG GLU A 56 -4.910 -5.582 8.619 1.00 0.00 C ATOM 851 CD GLU A 56 -5.934 -4.928 7.712 1.00 0.00 C ATOM 852 OE1 GLU A 56 -5.572 -4.558 6.575 1.00 0.00 O ATOM 853 OE2 GLU A 56 -7.101 -4.787 8.138 1.00 0.00 O ATOM 854 OXT GLU A 56 -4.183 -3.689 11.971 1.00 0.00 O ATOM 0 H GLU A 56 -2.056 -2.981 9.560 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.791 -2.806 8.959 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.215 -4.442 7.984 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.018 -5.211 9.547 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.550 -6.499 8.153 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.389 -5.867 9.555 1.00 0.00 H new ATOM 862 N MET B 1 6.579 18.899 -1.699 1.00 0.00 N ATOM 863 CA MET B 1 7.472 17.994 -0.930 1.00 0.00 C ATOM 864 C MET B 1 7.059 16.536 -1.106 1.00 0.00 C ATOM 865 O MET B 1 5.929 16.243 -1.496 1.00 0.00 O ATOM 866 CB MET B 1 7.406 18.381 0.551 1.00 0.00 C ATOM 867 CG MET B 1 8.329 17.563 1.440 1.00 0.00 C ATOM 868 SD MET B 1 10.068 17.760 1.007 1.00 0.00 S ATOM 869 CE MET B 1 10.838 16.681 2.212 1.00 0.00 C ATOM 0 H1 MET B 1 7.112 19.331 -2.480 1.00 0.00 H new ATOM 0 H2 MET B 1 5.781 18.354 -2.084 1.00 0.00 H new ATOM 0 H3 MET B 1 6.218 19.646 -1.072 1.00 0.00 H new ATOM 0 HA MET B 1 8.491 18.099 -1.302 1.00 0.00 H new ATOM 0 HB2 MET B 1 7.660 19.436 0.653 1.00 0.00 H new ATOM 0 HB3 MET B 1 6.381 18.264 0.902 1.00 0.00 H new ATOM 0 HG2 MET B 1 8.182 17.859 2.479 1.00 0.00 H new ATOM 0 HG3 MET B 1 8.058 16.510 1.367 1.00 0.00 H new ATOM 0 HE1 MET B 1 11.919 16.694 2.074 1.00 0.00 H new ATOM 0 HE2 MET B 1 10.596 17.027 3.217 1.00 0.00 H new ATOM 0 HE3 MET B 1 10.468 15.664 2.079 1.00 0.00 H new ATOM 881 N GLN B 2 7.979 15.629 -0.801 1.00 0.00 N ATOM 882 CA GLN B 2 7.712 14.202 -0.907 1.00 0.00 C ATOM 883 C GLN B 2 7.437 13.617 0.472 1.00 0.00 C ATOM 884 O GLN B 2 8.080 13.988 1.453 1.00 0.00 O ATOM 885 CB GLN B 2 8.896 13.485 -1.556 1.00 0.00 C ATOM 886 CG GLN B 2 8.691 11.986 -1.708 1.00 0.00 C ATOM 887 CD GLN B 2 9.877 11.297 -2.357 1.00 0.00 C ATOM 888 OE1 GLN B 2 10.248 11.611 -3.487 1.00 0.00 O ATOM 889 NE2 GLN B 2 10.476 10.352 -1.641 1.00 0.00 N ATOM 0 H GLN B 2 8.919 15.858 -0.477 1.00 0.00 H new ATOM 0 HA GLN B 2 6.832 14.058 -1.534 1.00 0.00 H new ATOM 0 HB2 GLN B 2 9.079 13.920 -2.539 1.00 0.00 H new ATOM 0 HB3 GLN B 2 9.790 13.662 -0.958 1.00 0.00 H new ATOM 0 HG2 GLN B 2 8.513 11.546 -0.727 1.00 0.00 H new ATOM 0 HG3 GLN B 2 7.798 11.804 -2.306 1.00 0.00 H new ATOM 0 HE21 GLN B 2 10.133 10.125 -0.708 1.00 0.00 H new ATOM 0 HE22 GLN B 2 11.279 9.853 -2.025 1.00 0.00 H new ATOM 898 N TYR B 3 6.482 12.700 0.544 1.00 0.00 N ATOM 899 CA TYR B 3 6.129 12.067 1.806 1.00 0.00 C ATOM 900 C TYR B 3 6.220 10.551 1.692 1.00 0.00 C ATOM 901 O TYR B 3 5.919 9.979 0.645 1.00 0.00 O ATOM 902 CB TYR B 3 4.730 12.502 2.242 1.00 0.00 C ATOM 903 CG TYR B 3 4.640 13.985 2.536 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.720 14.923 1.514 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.494 14.445 3.838 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.652 16.278 1.781 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.428 15.799 4.114 1.00 0.00 C ATOM 908 CZ TYR B 3 4.508 16.709 3.082 1.00 0.00 C ATOM 909 OH TYR B 3 4.442 18.057 3.352 1.00 0.00 O ATOM 0 H TYR B 3 5.938 12.378 -0.257 1.00 0.00 H new ATOM 0 HA TYR B 3 6.840 12.387 2.568 1.00 0.00 H new ATOM 0 HB2 TYR B 3 4.015 12.248 1.459 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.441 11.942 3.131 1.00 0.00 H new ATOM 0 HD1 TYR B 3 4.837 14.588 0.494 1.00 0.00 H new ATOM 0 HD2 TYR B 3 4.431 13.734 4.649 1.00 0.00 H new ATOM 0 HE1 TYR B 3 4.711 16.994 0.975 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.314 16.141 5.132 1.00 0.00 H new ATOM 0 HH TYR B 3 4.339 18.193 4.317 1.00 0.00 H new ATOM 919 N LYS B 4 6.661 9.908 2.767 1.00 0.00 N ATOM 920 CA LYS B 4 6.821 8.457 2.775 1.00 0.00 C ATOM 921 C LYS B 4 5.783 7.785 3.663 1.00 0.00 C ATOM 922 O LYS B 4 5.818 7.916 4.885 1.00 0.00 O ATOM 923 CB LYS B 4 8.229 8.094 3.251 1.00 0.00 C ATOM 924 CG LYS B 4 8.507 6.601 3.266 1.00 0.00 C ATOM 925 CD LYS B 4 9.926 6.309 3.725 1.00 0.00 C ATOM 926 CE LYS B 4 10.215 4.816 3.738 1.00 0.00 C ATOM 927 NZ LYS B 4 11.605 4.525 4.182 1.00 0.00 N ATOM 0 H LYS B 4 6.914 10.366 3.643 1.00 0.00 H new ATOM 0 HA LYS B 4 6.673 8.096 1.757 1.00 0.00 H new ATOM 0 HB2 LYS B 4 8.958 8.583 2.605 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.376 8.491 4.255 1.00 0.00 H new ATOM 0 HG2 LYS B 4 7.798 6.103 3.928 1.00 0.00 H new ATOM 0 HG3 LYS B 4 8.353 6.190 2.268 1.00 0.00 H new ATOM 0 HD2 LYS B 4 10.633 6.811 3.065 1.00 0.00 H new ATOM 0 HD3 LYS B 4 10.077 6.718 4.724 1.00 0.00 H new ATOM 0 HE2 LYS B 4 9.510 4.315 4.401 1.00 0.00 H new ATOM 0 HE3 LYS B 4 10.059 4.407 2.740 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 11.796 3.508 4.081 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 12.276 5.063 3.597 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 11.716 4.800 5.179 1.00 0.00 H new ATOM 941 N VAL B 5 4.863 7.052 3.047 1.00 0.00 N ATOM 942 CA VAL B 5 3.832 6.355 3.798 1.00 0.00 C ATOM 943 C VAL B 5 4.251 4.912 4.067 1.00 0.00 C ATOM 944 O VAL B 5 4.750 4.220 3.183 1.00 0.00 O ATOM 945 CB VAL B 5 2.473 6.381 3.067 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.410 5.656 3.878 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.052 7.816 2.786 1.00 0.00 C ATOM 0 H VAL B 5 4.812 6.927 2.036 1.00 0.00 H new ATOM 0 HA VAL B 5 3.712 6.878 4.747 1.00 0.00 H new ATOM 0 HB VAL B 5 2.583 5.861 2.115 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.461 5.687 3.344 1.00 0.00 H new ATOM 0 HG12 VAL B 5 1.710 4.618 4.026 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.297 6.142 4.847 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.092 7.819 2.270 1.00 0.00 H new ATOM 0 HG22 VAL B 5 1.960 8.359 3.727 1.00 0.00 H new ATOM 0 HG23 VAL B 5 2.802 8.299 2.160 1.00 0.00 H new ATOM 957 N ILE B 6 4.049 4.476 5.300 1.00 0.00 N ATOM 958 CA ILE B 6 4.408 3.125 5.707 1.00 0.00 C ATOM 959 C ILE B 6 3.163 2.266 5.891 1.00 0.00 C ATOM 960 O ILE B 6 2.277 2.598 6.677 1.00 0.00 O ATOM 961 CB ILE B 6 5.223 3.137 7.019 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.553 3.860 6.807 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.459 1.720 7.523 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.399 3.950 8.057 1.00 0.00 C ATOM 0 H ILE B 6 3.636 5.042 6.041 1.00 0.00 H new ATOM 0 HA ILE B 6 5.023 2.698 4.915 1.00 0.00 H new ATOM 0 HB ILE B 6 4.650 3.673 7.776 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.119 3.343 6.032 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.355 4.867 6.439 1.00 0.00 H new ATOM 0 HG21 ILE B 6 6.035 1.754 8.448 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.500 1.236 7.710 1.00 0.00 H new ATOM 0 HG23 ILE B 6 6.011 1.154 6.773 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.327 4.475 7.831 1.00 0.00 H new ATOM 0 HD12 ILE B 6 6.853 4.494 8.828 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.628 2.946 8.414 1.00 0.00 H new ATOM 976 N LEU B 7 3.105 1.162 5.162 1.00 0.00 N ATOM 977 CA LEU B 7 1.973 0.252 5.246 1.00 0.00 C ATOM 978 C LEU B 7 2.335 -0.948 6.114 1.00 0.00 C ATOM 979 O LEU B 7 2.803 -1.975 5.622 1.00 0.00 O ATOM 980 CB LEU B 7 1.561 -0.185 3.841 1.00 0.00 C ATOM 981 CG LEU B 7 1.485 0.950 2.822 1.00 0.00 C ATOM 982 CD1 LEU B 7 0.982 0.430 1.485 1.00 0.00 C ATOM 983 CD2 LEU B 7 0.592 2.070 3.340 1.00 0.00 C ATOM 0 H LEU B 7 3.830 0.874 4.505 1.00 0.00 H new ATOM 0 HA LEU B 7 1.127 0.760 5.709 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.271 -0.931 3.483 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.588 -0.672 3.896 1.00 0.00 H new ATOM 0 HG LEU B 7 2.487 1.354 2.674 1.00 0.00 H new ATOM 0 HD11 LEU B 7 0.934 1.251 0.770 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.663 -0.335 1.113 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.012 0.001 1.612 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.548 2.871 2.602 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.412 1.683 3.516 1.00 0.00 H new ATOM 0 HD23 LEU B 7 1.000 2.458 4.273 1.00 0.00 H new ATOM 995 N ASN B 8 2.146 -0.785 7.419 1.00 0.00 N ATOM 996 CA ASN B 8 2.482 -1.823 8.389 1.00 0.00 C ATOM 997 C ASN B 8 1.298 -2.738 8.690 1.00 0.00 C ATOM 998 O ASN B 8 0.413 -2.393 9.468 1.00 0.00 O ATOM 999 CB ASN B 8 2.975 -1.171 9.683 1.00 0.00 C ATOM 1000 CG ASN B 8 3.516 -2.177 10.677 1.00 0.00 C ATOM 1001 OD1 ASN B 8 2.836 -3.134 11.045 1.00 0.00 O ATOM 1002 ND2 ASN B 8 4.745 -1.952 11.129 1.00 0.00 N ATOM 0 H ASN B 8 1.759 0.063 7.833 1.00 0.00 H new ATOM 0 HA ASN B 8 3.268 -2.441 7.954 1.00 0.00 H new ATOM 0 HB2 ASN B 8 3.754 -0.446 9.446 1.00 0.00 H new ATOM 0 HB3 ASN B 8 2.155 -0.619 10.142 1.00 0.00 H new ATOM 0 HD21 ASN B 8 5.162 -2.587 11.810 1.00 0.00 H new ATOM 0 HD22 ASN B 8 5.271 -1.145 10.795 1.00 0.00 H new ATOM 1009 N GLY B 9 1.303 -3.916 8.081 1.00 0.00 N ATOM 1010 CA GLY B 9 0.238 -4.879 8.305 1.00 0.00 C ATOM 1011 C GLY B 9 0.759 -6.173 8.896 1.00 0.00 C ATOM 1012 O GLY B 9 1.924 -6.523 8.710 1.00 0.00 O ATOM 0 H GLY B 9 2.028 -4.225 7.433 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.506 -4.448 8.975 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.266 -5.088 7.362 1.00 0.00 H new ATOM 1016 N LYS B 10 -0.101 -6.882 9.619 1.00 0.00 N ATOM 1017 CA LYS B 10 0.286 -8.140 10.248 1.00 0.00 C ATOM 1018 C LYS B 10 0.881 -9.118 9.231 1.00 0.00 C ATOM 1019 O LYS B 10 1.973 -9.649 9.430 1.00 0.00 O ATOM 1020 CB LYS B 10 -0.917 -8.790 10.940 1.00 0.00 C ATOM 1021 CG LYS B 10 -1.353 -8.092 12.223 1.00 0.00 C ATOM 1022 CD LYS B 10 -1.815 -6.666 11.969 1.00 0.00 C ATOM 1023 CE LYS B 10 -2.372 -6.029 13.232 1.00 0.00 C ATOM 1024 NZ LYS B 10 -1.361 -5.983 14.324 1.00 0.00 N ATOM 0 H LYS B 10 -1.069 -6.608 9.784 1.00 0.00 H new ATOM 0 HA LYS B 10 1.049 -7.909 10.991 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -1.757 -8.806 10.245 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -0.673 -9.827 11.169 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -2.161 -8.658 12.686 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -0.524 -8.084 12.930 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -0.980 -6.072 11.598 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -2.578 -6.663 11.191 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -2.711 -5.018 13.009 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -3.244 -6.591 13.568 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -1.726 -5.409 15.111 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -1.168 -6.948 14.660 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -0.482 -5.559 13.965 1.00 0.00 H new ATOM 1038 N THR B 11 0.143 -9.361 8.154 1.00 0.00 N ATOM 1039 CA THR B 11 0.573 -10.282 7.111 1.00 0.00 C ATOM 1040 C THR B 11 1.239 -9.549 5.953 1.00 0.00 C ATOM 1041 O THR B 11 1.820 -10.175 5.066 1.00 0.00 O ATOM 1042 CB THR B 11 -0.629 -11.076 6.601 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.741 -10.221 6.401 1.00 0.00 O ATOM 1044 CG2 THR B 11 -1.057 -12.187 7.537 1.00 0.00 C ATOM 0 H THR B 11 -0.764 -8.928 7.981 1.00 0.00 H new ATOM 0 HA THR B 11 1.309 -10.960 7.542 1.00 0.00 H new ATOM 0 HB THR B 11 -0.304 -11.527 5.663 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.558 -10.673 6.698 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.915 -12.709 7.113 1.00 0.00 H new ATOM 0 HG22 THR B 11 -0.234 -12.889 7.669 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.331 -11.763 8.503 1.00 0.00 H new ATOM 1052 N LEU B 12 1.153 -8.225 5.963 1.00 0.00 N ATOM 1053 CA LEU B 12 1.752 -7.419 4.911 1.00 0.00 C ATOM 1054 C LEU B 12 2.509 -6.240 5.508 1.00 0.00 C ATOM 1055 O LEU B 12 2.012 -5.565 6.398 1.00 0.00 O ATOM 1056 CB LEU B 12 0.672 -6.926 3.943 1.00 0.00 C ATOM 1057 CG LEU B 12 1.172 -6.030 2.812 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.436 -6.608 2.199 1.00 0.00 C ATOM 1059 CD2 LEU B 12 0.093 -5.858 1.755 1.00 0.00 C ATOM 0 H LEU B 12 0.675 -7.689 6.687 1.00 0.00 H new ATOM 0 HA LEU B 12 2.460 -8.038 4.359 1.00 0.00 H new ATOM 0 HB2 LEU B 12 0.176 -7.792 3.506 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.081 -6.380 4.511 1.00 0.00 H new ATOM 0 HG LEU B 12 1.408 -5.049 3.224 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.780 -5.958 1.394 1.00 0.00 H new ATOM 0 HD12 LEU B 12 3.210 -6.681 2.963 1.00 0.00 H new ATOM 0 HD13 LEU B 12 2.226 -7.600 1.799 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.465 -5.217 0.956 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.173 -6.832 1.344 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.788 -5.402 2.206 1.00 0.00 H new ATOM 1071 N LYS B 13 3.712 -5.998 5.007 1.00 0.00 N ATOM 1072 CA LYS B 13 4.533 -4.893 5.492 1.00 0.00 C ATOM 1073 C LYS B 13 5.324 -4.273 4.348 1.00 0.00 C ATOM 1074 O LYS B 13 5.786 -4.978 3.452 1.00 0.00 O ATOM 1075 CB LYS B 13 5.483 -5.372 6.591 1.00 0.00 C ATOM 1076 CG LYS B 13 4.765 -5.883 7.830 1.00 0.00 C ATOM 1077 CD LYS B 13 5.747 -6.342 8.895 1.00 0.00 C ATOM 1078 CE LYS B 13 6.590 -7.510 8.409 1.00 0.00 C ATOM 1079 NZ LYS B 13 5.754 -8.691 8.051 1.00 0.00 N ATOM 0 H LYS B 13 4.143 -6.550 4.265 1.00 0.00 H new ATOM 0 HA LYS B 13 3.871 -4.134 5.910 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.116 -6.166 6.194 1.00 0.00 H new ATOM 0 HB3 LYS B 13 6.142 -4.551 6.875 1.00 0.00 H new ATOM 0 HG2 LYS B 13 4.130 -5.095 8.235 1.00 0.00 H new ATOM 0 HG3 LYS B 13 4.110 -6.711 7.557 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.398 -5.513 9.173 1.00 0.00 H new ATOM 0 HD3 LYS B 13 5.202 -6.634 9.793 1.00 0.00 H new ATOM 0 HE2 LYS B 13 7.172 -7.201 7.540 1.00 0.00 H new ATOM 0 HE3 LYS B 13 7.302 -7.791 9.185 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 6.365 -9.522 7.921 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 5.072 -8.878 8.814 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 5.240 -8.498 7.168 1.00 0.00 H new ATOM 1093 N GLY B 14 5.475 -2.954 4.375 1.00 0.00 N ATOM 1094 CA GLY B 14 6.209 -2.281 3.320 1.00 0.00 C ATOM 1095 C GLY B 14 6.305 -0.784 3.523 1.00 0.00 C ATOM 1096 O GLY B 14 6.016 -0.272 4.603 1.00 0.00 O ATOM 0 H GLY B 14 5.105 -2.342 5.103 1.00 0.00 H new ATOM 0 HA2 GLY B 14 7.214 -2.699 3.262 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.725 -2.481 2.364 1.00 0.00 H new ATOM 1100 N GLU B 15 6.719 -0.084 2.471 1.00 0.00 N ATOM 1101 CA GLU B 15 6.861 1.364 2.519 1.00 0.00 C ATOM 1102 C GLU B 15 6.569 1.981 1.166 1.00 0.00 C ATOM 1103 O GLU B 15 6.882 1.409 0.123 1.00 0.00 O ATOM 1104 CB GLU B 15 8.267 1.744 2.986 1.00 0.00 C ATOM 1105 CG GLU B 15 8.608 1.214 4.369 1.00 0.00 C ATOM 1106 CD GLU B 15 10.037 1.519 4.778 1.00 0.00 C ATOM 1107 OE1 GLU B 15 10.775 2.109 3.962 1.00 0.00 O ATOM 1108 OE2 GLU B 15 10.417 1.164 5.913 1.00 0.00 O ATOM 0 H GLU B 15 6.962 -0.500 1.572 1.00 0.00 H new ATOM 0 HA GLU B 15 6.137 1.755 3.234 1.00 0.00 H new ATOM 0 HB2 GLU B 15 8.995 1.363 2.270 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.360 2.830 2.988 1.00 0.00 H new ATOM 0 HG2 GLU B 15 7.925 1.649 5.099 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.451 0.136 4.389 1.00 0.00 H new ATOM 1115 N THR B 16 5.950 3.149 1.199 1.00 0.00 N ATOM 1116 CA THR B 16 5.589 3.851 -0.012 1.00 0.00 C ATOM 1117 C THR B 16 5.851 5.343 0.120 1.00 0.00 C ATOM 1118 O THR B 16 6.141 5.839 1.207 1.00 0.00 O ATOM 1119 CB THR B 16 4.126 3.586 -0.344 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.731 4.341 -1.452 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.181 3.891 0.792 1.00 0.00 C ATOM 0 H THR B 16 5.687 3.630 2.059 1.00 0.00 H new ATOM 0 HA THR B 16 6.210 3.480 -0.827 1.00 0.00 H new ATOM 0 HB THR B 16 4.066 2.518 -0.552 1.00 0.00 H new ATOM 0 HG1 THR B 16 2.854 4.033 -1.761 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.158 3.678 0.481 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.435 3.272 1.653 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.266 4.943 1.064 1.00 0.00 H new ATOM 1129 N THR B 17 5.766 6.052 -1.000 1.00 0.00 N ATOM 1130 CA THR B 17 6.017 7.490 -1.004 1.00 0.00 C ATOM 1131 C THR B 17 5.100 8.247 -1.965 1.00 0.00 C ATOM 1132 O THR B 17 5.102 8.001 -3.170 1.00 0.00 O ATOM 1133 CB THR B 17 7.476 7.766 -1.365 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.782 7.244 -2.647 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.461 7.173 -0.382 1.00 0.00 C ATOM 0 H THR B 17 5.527 5.659 -1.911 1.00 0.00 H new ATOM 0 HA THR B 17 5.803 7.851 0.002 1.00 0.00 H new ATOM 0 HB THR B 17 7.577 8.851 -1.344 1.00 0.00 H new ATOM 0 HG1 THR B 17 6.972 7.236 -3.199 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.477 7.407 -0.699 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.284 7.593 0.608 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.332 6.091 -0.346 1.00 0.00 H new ATOM 1143 N THR B 18 4.341 9.188 -1.412 1.00 0.00 N ATOM 1144 CA THR B 18 3.434 10.023 -2.198 1.00 0.00 C ATOM 1145 C THR B 18 3.961 11.458 -2.224 1.00 0.00 C ATOM 1146 O THR B 18 4.554 11.922 -1.251 1.00 0.00 O ATOM 1147 CB THR B 18 2.027 10.002 -1.597 1.00 0.00 C ATOM 1148 OG1 THR B 18 1.126 10.725 -2.416 1.00 0.00 O ATOM 1149 CG2 THR B 18 1.959 10.597 -0.206 1.00 0.00 C ATOM 0 H THR B 18 4.336 9.394 -0.413 1.00 0.00 H new ATOM 0 HA THR B 18 3.383 9.630 -3.213 1.00 0.00 H new ATOM 0 HB THR B 18 1.753 8.949 -1.537 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.379 10.615 -3.357 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.933 10.550 0.160 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.609 10.033 0.463 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.285 11.636 -0.239 1.00 0.00 H new ATOM 1157 N GLU B 19 3.742 12.158 -3.329 1.00 0.00 N ATOM 1158 CA GLU B 19 4.199 13.540 -3.454 1.00 0.00 C ATOM 1159 C GLU B 19 3.009 14.491 -3.385 1.00 0.00 C ATOM 1160 O GLU B 19 2.095 14.408 -4.204 1.00 0.00 O ATOM 1161 CB GLU B 19 4.966 13.729 -4.767 1.00 0.00 C ATOM 1162 CG GLU B 19 5.589 15.109 -4.927 1.00 0.00 C ATOM 1163 CD GLU B 19 4.587 16.174 -5.331 1.00 0.00 C ATOM 1164 OE1 GLU B 19 3.436 15.819 -5.656 1.00 0.00 O ATOM 1165 OE2 GLU B 19 4.962 17.367 -5.341 1.00 0.00 O ATOM 0 H GLU B 19 3.254 11.797 -4.148 1.00 0.00 H new ATOM 0 HA GLU B 19 4.873 13.766 -2.628 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.753 12.977 -4.828 1.00 0.00 H new ATOM 0 HB3 GLU B 19 4.288 13.549 -5.601 1.00 0.00 H new ATOM 0 HG2 GLU B 19 6.059 15.399 -3.987 1.00 0.00 H new ATOM 0 HG3 GLU B 19 6.379 15.059 -5.677 1.00 0.00 H new ATOM 1172 N ALA B 20 3.015 15.388 -2.401 1.00 0.00 N ATOM 1173 CA ALA B 20 1.919 16.334 -2.239 1.00 0.00 C ATOM 1174 C ALA B 20 2.392 17.656 -1.638 1.00 0.00 C ATOM 1175 O ALA B 20 3.386 17.709 -0.915 1.00 0.00 O ATOM 1176 CB ALA B 20 0.826 15.723 -1.376 1.00 0.00 C ATOM 0 H ALA B 20 3.761 15.478 -1.711 1.00 0.00 H new ATOM 0 HA ALA B 20 1.519 16.550 -3.230 1.00 0.00 H new ATOM 0 HB1 ALA B 20 0.011 16.438 -1.261 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.450 14.818 -1.852 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.233 15.475 -0.396 1.00 0.00 H new ATOM 1182 N VAL B 21 1.672 18.724 -1.970 1.00 0.00 N ATOM 1183 CA VAL B 21 2.004 20.067 -1.496 1.00 0.00 C ATOM 1184 C VAL B 21 2.205 20.101 0.019 1.00 0.00 C ATOM 1185 O VAL B 21 2.932 20.950 0.535 1.00 0.00 O ATOM 1186 CB VAL B 21 0.903 21.074 -1.875 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.313 22.488 -1.493 1.00 0.00 C ATOM 1188 CG2 VAL B 21 0.584 20.982 -3.358 1.00 0.00 C ATOM 0 H VAL B 21 0.848 18.686 -2.570 1.00 0.00 H new ATOM 0 HA VAL B 21 2.939 20.346 -1.981 1.00 0.00 H new ATOM 0 HB VAL B 21 0.000 20.824 -1.318 1.00 0.00 H new ATOM 0 HG11 VAL B 21 0.521 23.184 -1.770 1.00 0.00 H new ATOM 0 HG12 VAL B 21 1.482 22.540 -0.417 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.230 22.755 -2.018 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -0.196 21.701 -3.608 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.480 21.203 -3.937 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.239 19.975 -3.594 1.00 0.00 H new ATOM 1198 N ASP B 22 1.571 19.173 0.724 1.00 0.00 N ATOM 1199 CA ASP B 22 1.706 19.105 2.178 1.00 0.00 C ATOM 1200 C ASP B 22 1.330 17.726 2.709 1.00 0.00 C ATOM 1201 O ASP B 22 0.899 16.853 1.955 1.00 0.00 O ATOM 1202 CB ASP B 22 0.859 20.188 2.855 1.00 0.00 C ATOM 1203 CG ASP B 22 -0.627 20.014 2.612 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -1.009 19.022 1.960 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.409 20.867 3.081 1.00 0.00 O ATOM 0 H ASP B 22 0.963 18.461 0.319 1.00 0.00 H new ATOM 0 HA ASP B 22 2.754 19.283 2.419 1.00 0.00 H new ATOM 0 HB2 ASP B 22 1.050 20.174 3.928 1.00 0.00 H new ATOM 0 HB3 ASP B 22 1.170 21.167 2.489 1.00 0.00 H new ATOM 1210 N ALA B 23 1.508 17.532 4.013 1.00 0.00 N ATOM 1211 CA ALA B 23 1.204 16.254 4.645 1.00 0.00 C ATOM 1212 C ALA B 23 -0.246 15.846 4.424 1.00 0.00 C ATOM 1213 O ALA B 23 -0.533 14.682 4.151 1.00 0.00 O ATOM 1214 CB ALA B 23 1.521 16.311 6.133 1.00 0.00 C ATOM 0 H ALA B 23 1.861 18.244 4.652 1.00 0.00 H new ATOM 0 HA ALA B 23 1.832 15.496 4.177 1.00 0.00 H new ATOM 0 HB1 ALA B 23 1.289 15.350 6.592 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.579 16.533 6.271 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.922 17.091 6.603 1.00 0.00 H new ATOM 1220 N ALA B 24 -1.155 16.805 4.535 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.569 16.522 4.333 1.00 0.00 C ATOM 1222 C ALA B 24 -2.810 16.060 2.906 1.00 0.00 C ATOM 1223 O ALA B 24 -3.346 14.977 2.679 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.416 17.743 4.658 1.00 0.00 C ATOM 0 H ALA B 24 -0.942 17.776 4.762 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.864 15.721 5.011 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.469 17.508 4.500 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.260 18.028 5.699 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.127 18.569 4.009 1.00 0.00 H new ATOM 1230 N THR B 25 -2.382 16.869 1.939 1.00 0.00 N ATOM 1231 CA THR B 25 -2.527 16.511 0.539 1.00 0.00 C ATOM 1232 C THR B 25 -1.961 15.117 0.322 1.00 0.00 C ATOM 1233 O THR B 25 -2.591 14.268 -0.307 1.00 0.00 O ATOM 1234 CB THR B 25 -1.806 17.526 -0.347 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.452 17.665 0.042 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.439 18.900 -0.324 1.00 0.00 C ATOM 0 H THR B 25 -1.935 17.771 2.103 1.00 0.00 H new ATOM 0 HA THR B 25 -3.583 16.518 0.269 1.00 0.00 H new ATOM 0 HB THR B 25 -1.883 17.128 -1.359 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.393 17.682 1.020 1.00 0.00 H new ATOM 0 HG21 THR B 25 -1.877 19.570 -0.974 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.469 18.832 -0.675 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.428 19.289 0.694 1.00 0.00 H new ATOM 1244 N ALA B 26 -0.777 14.878 0.886 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.144 13.573 0.787 1.00 0.00 C ATOM 1246 C ALA B 26 -1.055 12.528 1.409 1.00 0.00 C ATOM 1247 O ALA B 26 -1.394 11.527 0.777 1.00 0.00 O ATOM 1248 CB ALA B 26 1.213 13.582 1.475 1.00 0.00 C ATOM 0 H ALA B 26 -0.243 15.570 1.412 1.00 0.00 H new ATOM 0 HA ALA B 26 0.018 13.329 -0.263 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.671 12.596 1.390 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.856 14.323 1.001 1.00 0.00 H new ATOM 0 HB3 ALA B 26 1.085 13.833 2.528 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.467 12.776 2.652 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.357 11.872 3.361 1.00 0.00 C ATOM 1256 C GLU B 27 -3.596 11.580 2.523 1.00 0.00 C ATOM 1257 O GLU B 27 -4.001 10.429 2.375 1.00 0.00 O ATOM 1258 CB GLU B 27 -2.755 12.474 4.713 1.00 0.00 C ATOM 1259 CG GLU B 27 -3.647 11.572 5.555 1.00 0.00 C ATOM 1260 CD GLU B 27 -5.095 11.574 5.100 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -5.445 12.391 4.223 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -5.885 10.768 5.637 1.00 0.00 O ATOM 0 H GLU B 27 -1.194 13.601 3.186 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.832 10.933 3.538 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -1.851 12.703 5.277 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.271 13.419 4.541 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -3.262 10.553 5.517 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -3.599 11.893 6.596 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.185 12.636 1.964 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.375 12.504 1.129 1.00 0.00 C ATOM 1271 C LYS B 28 -5.079 11.675 -0.112 1.00 0.00 C ATOM 1272 O LYS B 28 -5.840 10.772 -0.463 1.00 0.00 O ATOM 1273 CB LYS B 28 -5.893 13.883 0.720 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.382 14.717 1.890 1.00 0.00 C ATOM 1275 CD LYS B 28 -7.520 14.024 2.619 1.00 0.00 C ATOM 1276 CE LYS B 28 -8.031 14.859 3.781 1.00 0.00 C ATOM 1277 NZ LYS B 28 -8.549 16.184 3.333 1.00 0.00 N ATOM 0 H LYS B 28 -3.855 13.595 2.076 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.141 11.993 1.712 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.098 14.423 0.206 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.708 13.760 0.006 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.559 14.896 2.582 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -6.715 15.691 1.532 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.336 13.832 1.922 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.181 13.056 2.987 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.823 14.316 4.297 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -7.226 15.009 4.501 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.097 16.620 4.102 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -7.751 16.802 3.083 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -9.161 16.055 2.502 1.00 0.00 H new ATOM 1291 N VAL B 29 -3.965 11.978 -0.770 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.571 11.248 -1.965 1.00 0.00 C ATOM 1293 C VAL B 29 -3.430 9.769 -1.648 1.00 0.00 C ATOM 1294 O VAL B 29 -3.819 8.911 -2.442 1.00 0.00 O ATOM 1295 CB VAL B 29 -2.247 11.783 -2.546 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -1.854 11.021 -3.802 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -2.355 13.275 -2.835 1.00 0.00 C ATOM 0 H VAL B 29 -3.323 12.721 -0.496 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.351 11.391 -2.713 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.465 11.630 -1.802 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.917 11.419 -4.191 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.728 9.965 -3.563 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.635 11.132 -4.554 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.411 13.636 -3.245 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -3.154 13.449 -3.556 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.577 13.809 -1.911 1.00 0.00 H new ATOM 1307 N VAL B 30 -2.898 9.478 -0.470 1.00 0.00 N ATOM 1308 CA VAL B 30 -2.738 8.105 -0.034 1.00 0.00 C ATOM 1309 C VAL B 30 -4.115 7.468 0.129 1.00 0.00 C ATOM 1310 O VAL B 30 -4.363 6.371 -0.366 1.00 0.00 O ATOM 1311 CB VAL B 30 -1.957 8.030 1.292 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -1.798 6.587 1.750 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -0.601 8.699 1.146 1.00 0.00 C ATOM 0 H VAL B 30 -2.571 10.176 0.198 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.167 7.562 -0.787 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.526 8.563 2.054 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.243 6.562 2.688 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.782 6.142 1.898 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -1.255 6.022 0.992 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -0.061 8.638 2.091 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.028 8.195 0.368 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -0.739 9.746 0.874 1.00 0.00 H new ATOM 1323 N LYS B 31 -5.023 8.174 0.812 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.382 7.673 1.011 1.00 0.00 C ATOM 1325 C LYS B 31 -6.970 7.216 -0.317 1.00 0.00 C ATOM 1326 O LYS B 31 -7.473 6.100 -0.437 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.296 8.748 1.613 1.00 0.00 C ATOM 1328 CG LYS B 31 -6.854 9.263 2.971 1.00 0.00 C ATOM 1329 CD LYS B 31 -6.736 8.160 4.007 1.00 0.00 C ATOM 1330 CE LYS B 31 -8.093 7.647 4.449 1.00 0.00 C ATOM 1331 NZ LYS B 31 -8.722 6.781 3.419 1.00 0.00 N ATOM 0 H LYS B 31 -4.841 9.086 1.232 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.323 6.835 1.705 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.352 9.588 0.921 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.303 8.341 1.703 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -5.891 9.764 2.869 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -7.567 10.010 3.321 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -6.154 7.336 3.594 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -6.190 8.533 4.873 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -7.984 7.086 5.377 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -8.748 8.492 4.662 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -9.594 7.230 3.074 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -8.063 6.650 2.625 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -8.950 5.856 3.836 1.00 0.00 H new ATOM 1345 N GLN B 32 -6.897 8.094 -1.312 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.419 7.789 -2.637 1.00 0.00 C ATOM 1347 C GLN B 32 -6.736 6.547 -3.195 1.00 0.00 C ATOM 1348 O GLN B 32 -7.368 5.706 -3.835 1.00 0.00 O ATOM 1349 CB GLN B 32 -7.206 8.975 -3.581 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.960 8.845 -4.897 1.00 0.00 C ATOM 1351 CD GLN B 32 -9.477 8.862 -4.738 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -9.969 9.131 -3.526 1.00 0.00 O flip ATOM 1353 NE2 GLN B 32 -10.206 8.647 -5.705 1.00 0.00 N flip ATOM 0 H GLN B 32 -6.482 9.021 -1.225 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.489 7.598 -2.554 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.521 9.890 -3.079 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -6.141 9.077 -3.790 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -7.664 9.660 -5.558 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -7.665 7.916 -5.385 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -9.797 8.445 -6.617 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -11.220 8.671 -5.595 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.439 6.436 -2.927 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.648 5.298 -3.378 1.00 0.00 C ATOM 1364 C PHE B 33 -5.338 3.991 -2.977 1.00 0.00 C ATOM 1365 O PHE B 33 -5.823 3.240 -3.823 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.248 5.382 -2.756 1.00 0.00 C ATOM 1367 CG PHE B 33 -2.242 4.464 -3.380 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.938 4.571 -4.727 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.606 3.491 -2.624 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -1.017 3.723 -5.310 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.682 2.645 -3.203 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.388 2.762 -4.547 1.00 0.00 C ATOM 0 H PHE B 33 -4.910 7.127 -2.395 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.558 5.318 -4.464 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.887 6.407 -2.838 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.321 5.154 -1.693 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -2.426 5.325 -5.327 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -1.836 3.394 -1.573 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -0.790 3.812 -6.362 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.189 1.892 -2.605 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.335 2.100 -5.001 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.375 3.744 -1.675 1.00 0.00 N ATOM 1383 CA PHE B 34 -6.004 2.545 -1.130 1.00 0.00 C ATOM 1384 C PHE B 34 -7.500 2.556 -1.397 1.00 0.00 C ATOM 1385 O PHE B 34 -8.097 1.525 -1.698 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.706 2.444 0.356 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.234 2.475 0.614 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.399 1.584 -0.034 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.685 3.407 1.469 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -2.037 1.619 0.169 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.321 3.447 1.683 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.497 2.551 1.030 1.00 0.00 C ATOM 0 H PHE B 34 -4.974 4.362 -0.970 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.592 1.666 -1.625 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.188 3.267 0.883 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.128 1.521 0.753 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.819 0.852 -0.707 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.327 4.112 1.976 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.394 0.919 -0.344 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -1.900 4.177 2.359 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.430 2.580 1.194 1.00 0.00 H new ATOM 1402 N ASN B 35 -8.097 3.736 -1.315 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.522 3.891 -1.581 1.00 0.00 C ATOM 1404 C ASN B 35 -9.860 3.268 -2.934 1.00 0.00 C ATOM 1405 O ASN B 35 -10.910 2.651 -3.114 1.00 0.00 O ATOM 1406 CB ASN B 35 -9.875 5.375 -1.599 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.343 5.626 -1.852 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -11.921 5.115 -2.810 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -11.945 6.437 -0.998 1.00 0.00 N ATOM 0 H ASN B 35 -7.618 4.601 -1.066 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.095 3.390 -0.800 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.594 5.822 -0.645 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.288 5.874 -2.370 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -12.932 6.663 -1.119 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -11.422 6.836 -0.218 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.944 3.457 -3.879 1.00 0.00 N ATOM 1417 CA ASP B 36 -9.103 2.940 -5.237 1.00 0.00 C ATOM 1418 C ASP B 36 -8.432 1.576 -5.426 1.00 0.00 C ATOM 1419 O ASP B 36 -8.841 0.798 -6.289 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.540 3.939 -6.249 1.00 0.00 C ATOM 1421 CG ASP B 36 -9.234 5.286 -6.184 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -10.152 5.443 -5.352 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -8.861 6.186 -6.966 1.00 0.00 O ATOM 0 H ASP B 36 -8.075 3.969 -3.728 1.00 0.00 H new ATOM 0 HA ASP B 36 -10.171 2.804 -5.405 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.474 4.074 -6.067 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.642 3.530 -7.254 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.413 1.276 -4.621 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.721 -0.012 -4.726 1.00 0.00 C ATOM 1430 C ASN B 37 -7.531 -1.098 -4.035 1.00 0.00 C ATOM 1431 O ASN B 37 -7.662 -2.213 -4.541 1.00 0.00 O ATOM 1432 CB ASN B 37 -5.327 0.051 -4.094 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.411 1.050 -4.766 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -4.340 1.117 -5.994 1.00 0.00 O ATOM 1435 ND2 ASN B 37 -3.674 1.810 -3.962 1.00 0.00 N ATOM 0 H ASN B 37 -7.051 1.897 -3.897 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.614 -0.244 -5.786 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.425 0.310 -3.040 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.870 -0.938 -4.138 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -3.017 2.483 -4.357 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.766 1.721 -2.950 1.00 0.00 H new ATOM 1442 N GLY B 38 -8.056 -0.736 -2.865 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.858 -1.621 -2.036 1.00 0.00 C ATOM 1444 C GLY B 38 -9.252 -2.948 -2.664 1.00 0.00 C ATOM 1445 O GLY B 38 -8.410 -3.818 -2.892 1.00 0.00 O ATOM 0 H GLY B 38 -7.932 0.194 -2.465 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.306 -1.826 -1.118 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.768 -1.093 -1.750 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.553 -3.124 -2.864 1.00 0.00 N ATOM 1450 CA VAL B 39 -11.097 -4.376 -3.380 1.00 0.00 C ATOM 1451 C VAL B 39 -10.996 -4.553 -4.897 1.00 0.00 C ATOM 1452 O VAL B 39 -10.480 -5.569 -5.361 1.00 0.00 O ATOM 1453 CB VAL B 39 -12.565 -4.541 -2.943 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -13.173 -5.802 -3.540 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -12.662 -4.562 -1.425 1.00 0.00 C ATOM 0 H VAL B 39 -11.256 -2.410 -2.675 1.00 0.00 H new ATOM 0 HA VAL B 39 -10.468 -5.153 -2.947 1.00 0.00 H new ATOM 0 HB VAL B 39 -13.133 -3.689 -3.316 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -14.210 -5.895 -3.216 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -13.137 -5.744 -4.628 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -12.609 -6.672 -3.204 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -13.704 -4.679 -1.129 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -12.078 -5.395 -1.035 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -12.273 -3.627 -1.023 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.523 -3.615 -5.669 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.514 -3.752 -7.128 1.00 0.00 C ATOM 1467 C ASP B 40 -10.304 -3.099 -7.793 1.00 0.00 C ATOM 1468 O ASP B 40 -10.373 -2.712 -8.960 1.00 0.00 O ATOM 1469 CB ASP B 40 -12.798 -3.163 -7.715 1.00 0.00 C ATOM 1470 CG ASP B 40 -14.042 -3.859 -7.198 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -14.261 -3.846 -5.969 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -14.798 -4.413 -8.023 1.00 0.00 O ATOM 0 H ASP B 40 -11.958 -2.760 -5.322 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.451 -4.820 -7.336 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.852 -2.102 -7.473 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -12.767 -3.241 -8.802 1.00 0.00 H new ATOM 1477 N GLY B 41 -9.202 -2.978 -7.069 1.00 0.00 N ATOM 1478 CA GLY B 41 -8.014 -2.373 -7.645 1.00 0.00 C ATOM 1479 C GLY B 41 -7.445 -3.192 -8.795 1.00 0.00 C ATOM 1480 O GLY B 41 -7.464 -4.422 -8.757 1.00 0.00 O ATOM 0 H GLY B 41 -9.106 -3.284 -6.101 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.256 -1.371 -8.001 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.255 -2.262 -6.871 1.00 0.00 H new ATOM 1484 N GLU B 42 -6.932 -2.506 -9.815 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.347 -3.177 -10.977 1.00 0.00 C ATOM 1486 C GLU B 42 -4.933 -3.651 -10.660 1.00 0.00 C ATOM 1487 O GLU B 42 -3.978 -2.875 -10.729 1.00 0.00 O ATOM 1488 CB GLU B 42 -6.322 -2.233 -12.181 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.701 -1.756 -12.608 1.00 0.00 C ATOM 1490 CD GLU B 42 -8.610 -2.896 -13.021 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -8.256 -3.622 -13.974 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -9.676 -3.065 -12.392 1.00 0.00 O ATOM 0 H GLU B 42 -6.909 -1.487 -9.861 1.00 0.00 H new ATOM 0 HA GLU B 42 -6.963 -4.043 -11.220 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.705 -1.367 -11.941 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.846 -2.740 -13.020 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -8.162 -1.208 -11.787 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -7.599 -1.058 -13.439 1.00 0.00 H new ATOM 1499 N TRP B 43 -4.804 -4.921 -10.282 1.00 0.00 N ATOM 1500 CA TRP B 43 -3.504 -5.477 -9.923 1.00 0.00 C ATOM 1501 C TRP B 43 -2.999 -6.485 -10.954 1.00 0.00 C ATOM 1502 O TRP B 43 -3.732 -7.380 -11.373 1.00 0.00 O ATOM 1503 CB TRP B 43 -3.578 -6.203 -8.581 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.185 -5.426 -7.450 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -4.862 -4.239 -7.500 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.167 -5.819 -6.079 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -5.270 -3.880 -6.236 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -4.852 -4.835 -5.348 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.634 -6.916 -5.401 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -5.019 -4.917 -3.972 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.798 -6.995 -4.036 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.487 -6.002 -3.332 1.00 0.00 C ATOM 0 H TRP B 43 -5.580 -5.580 -10.217 1.00 0.00 H new ATOM 0 HA TRP B 43 -2.820 -4.630 -9.875 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -4.152 -7.119 -8.716 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -2.569 -6.499 -8.293 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -5.049 -3.668 -8.398 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -5.798 -3.040 -5.999 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -3.103 -7.689 -5.937 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.550 -4.151 -3.427 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -3.388 -7.838 -3.500 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -4.601 -6.094 -2.262 1.00 0.00 H new ATOM 1523 N THR B 44 -1.725 -6.363 -11.314 1.00 0.00 N ATOM 1524 CA THR B 44 -1.095 -7.293 -12.244 1.00 0.00 C ATOM 1525 C THR B 44 -0.061 -8.119 -11.479 1.00 0.00 C ATOM 1526 O THR B 44 0.607 -7.600 -10.586 1.00 0.00 O ATOM 1527 CB THR B 44 -0.439 -6.546 -13.407 1.00 0.00 C ATOM 1528 OG1 THR B 44 0.515 -5.616 -12.933 1.00 0.00 O ATOM 1529 CG2 THR B 44 -1.428 -5.791 -14.269 1.00 0.00 C ATOM 0 H THR B 44 -1.107 -5.626 -10.974 1.00 0.00 H new ATOM 0 HA THR B 44 -1.852 -7.952 -12.669 1.00 0.00 H new ATOM 0 HB THR B 44 0.032 -7.318 -14.015 1.00 0.00 H new ATOM 0 HG1 THR B 44 1.229 -6.092 -12.460 1.00 0.00 H new ATOM 0 HG21 THR B 44 -0.896 -5.284 -15.074 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.149 -6.490 -14.694 1.00 0.00 H new ATOM 0 HG23 THR B 44 -1.953 -5.054 -13.661 1.00 0.00 H new ATOM 1537 N TYR B 45 0.052 -9.405 -11.798 1.00 0.00 N ATOM 1538 CA TYR B 45 0.990 -10.273 -11.090 1.00 0.00 C ATOM 1539 C TYR B 45 2.152 -10.721 -11.973 1.00 0.00 C ATOM 1540 O TYR B 45 1.985 -10.973 -13.166 1.00 0.00 O ATOM 1541 CB TYR B 45 0.254 -11.499 -10.542 1.00 0.00 C ATOM 1542 CG TYR B 45 1.140 -12.452 -9.770 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.037 -11.982 -8.817 1.00 0.00 C ATOM 1544 CD2 TYR B 45 1.080 -13.822 -9.994 1.00 0.00 C ATOM 1545 CE1 TYR B 45 2.846 -12.850 -8.109 1.00 0.00 C ATOM 1546 CE2 TYR B 45 1.887 -14.695 -9.290 1.00 0.00 C ATOM 1547 CZ TYR B 45 2.768 -14.206 -8.349 1.00 0.00 C ATOM 1548 OH TYR B 45 3.570 -15.074 -7.647 1.00 0.00 O ATOM 0 H TYR B 45 -0.486 -9.865 -12.532 1.00 0.00 H new ATOM 0 HA TYR B 45 1.411 -9.691 -10.270 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.555 -11.165 -9.893 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -0.204 -12.036 -11.372 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.102 -10.921 -8.627 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.392 -14.211 -10.730 1.00 0.00 H new ATOM 0 HE1 TYR B 45 3.536 -12.468 -7.371 1.00 0.00 H new ATOM 0 HE2 TYR B 45 1.828 -15.757 -9.476 1.00 0.00 H new ATOM 0 HH TYR B 45 3.389 -15.993 -7.936 1.00 0.00 H new ATOM 1558 N ASP B 46 3.327 -10.837 -11.357 1.00 0.00 N ATOM 1559 CA ASP B 46 4.532 -11.278 -12.051 1.00 0.00 C ATOM 1560 C ASP B 46 5.123 -12.502 -11.350 1.00 0.00 C ATOM 1561 O ASP B 46 6.046 -12.383 -10.545 1.00 0.00 O ATOM 1562 CB ASP B 46 5.563 -10.149 -12.099 1.00 0.00 C ATOM 1563 CG ASP B 46 6.829 -10.552 -12.833 1.00 0.00 C ATOM 1564 OD1 ASP B 46 7.487 -11.518 -12.393 1.00 0.00 O ATOM 1565 OD2 ASP B 46 7.160 -9.900 -13.845 1.00 0.00 O ATOM 0 H ASP B 46 3.469 -10.629 -10.369 1.00 0.00 H new ATOM 0 HA ASP B 46 4.267 -11.550 -13.073 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.124 -9.280 -12.589 1.00 0.00 H new ATOM 0 HB3 ASP B 46 5.816 -9.848 -11.082 1.00 0.00 H new ATOM 1570 N ASP B 47 4.571 -13.674 -11.650 1.00 0.00 N ATOM 1571 CA ASP B 47 5.024 -14.927 -11.040 1.00 0.00 C ATOM 1572 C ASP B 47 6.547 -15.048 -11.038 1.00 0.00 C ATOM 1573 O ASP B 47 7.133 -15.582 -10.097 1.00 0.00 O ATOM 1574 CB ASP B 47 4.413 -16.119 -11.778 1.00 0.00 C ATOM 1575 CG ASP B 47 2.897 -16.113 -11.733 1.00 0.00 C ATOM 1576 OD1 ASP B 47 2.294 -15.133 -12.223 1.00 0.00 O ATOM 1577 OD2 ASP B 47 2.314 -17.086 -11.211 1.00 0.00 O ATOM 0 H ASP B 47 3.805 -13.786 -12.315 1.00 0.00 H new ATOM 0 HA ASP B 47 4.691 -14.923 -10.002 1.00 0.00 H new ATOM 0 HB2 ASP B 47 4.743 -16.107 -12.817 1.00 0.00 H new ATOM 0 HB3 ASP B 47 4.783 -17.044 -11.337 1.00 0.00 H new ATOM 1582 N ALA B 48 7.182 -14.571 -12.103 1.00 0.00 N ATOM 1583 CA ALA B 48 8.635 -14.648 -12.231 1.00 0.00 C ATOM 1584 C ALA B 48 9.354 -14.133 -10.985 1.00 0.00 C ATOM 1585 O ALA B 48 10.433 -14.615 -10.639 1.00 0.00 O ATOM 1586 CB ALA B 48 9.093 -13.874 -13.458 1.00 0.00 C ATOM 0 H ALA B 48 6.713 -14.126 -12.892 1.00 0.00 H new ATOM 0 HA ALA B 48 8.896 -15.700 -12.344 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.178 -13.938 -13.544 1.00 0.00 H new ATOM 0 HB2 ALA B 48 8.632 -14.300 -14.350 1.00 0.00 H new ATOM 0 HB3 ALA B 48 8.797 -12.829 -13.360 1.00 0.00 H new ATOM 1592 N THR B 49 8.757 -13.156 -10.313 1.00 0.00 N ATOM 1593 CA THR B 49 9.356 -12.588 -9.107 1.00 0.00 C ATOM 1594 C THR B 49 8.369 -12.564 -7.940 1.00 0.00 C ATOM 1595 O THR B 49 8.610 -11.899 -6.933 1.00 0.00 O ATOM 1596 CB THR B 49 9.862 -11.172 -9.385 1.00 0.00 C ATOM 1597 OG1 THR B 49 8.800 -10.333 -9.800 1.00 0.00 O ATOM 1598 CG2 THR B 49 10.933 -11.118 -10.453 1.00 0.00 C ATOM 0 H THR B 49 7.864 -12.741 -10.579 1.00 0.00 H new ATOM 0 HA THR B 49 10.193 -13.227 -8.826 1.00 0.00 H new ATOM 0 HB THR B 49 10.292 -10.829 -8.444 1.00 0.00 H new ATOM 0 HG1 THR B 49 8.421 -10.675 -10.637 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.248 -10.085 -10.601 1.00 0.00 H new ATOM 0 HG22 THR B 49 11.789 -11.717 -10.141 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.535 -11.513 -11.388 1.00 0.00 H new ATOM 1606 N LYS B 50 7.250 -13.271 -8.083 1.00 0.00 N ATOM 1607 CA LYS B 50 6.231 -13.300 -7.036 1.00 0.00 C ATOM 1608 C LYS B 50 5.895 -11.887 -6.576 1.00 0.00 C ATOM 1609 O LYS B 50 5.613 -11.651 -5.398 1.00 0.00 O ATOM 1610 CB LYS B 50 6.691 -14.132 -5.836 1.00 0.00 C ATOM 1611 CG LYS B 50 6.531 -15.632 -6.029 1.00 0.00 C ATOM 1612 CD LYS B 50 7.577 -16.197 -6.973 1.00 0.00 C ATOM 1613 CE LYS B 50 8.964 -16.152 -6.352 1.00 0.00 C ATOM 1614 NZ LYS B 50 9.996 -16.729 -7.255 1.00 0.00 N ATOM 0 H LYS B 50 7.027 -13.828 -8.908 1.00 0.00 H new ATOM 0 HA LYS B 50 5.340 -13.763 -7.459 1.00 0.00 H new ATOM 0 HB2 LYS B 50 7.739 -13.911 -5.634 1.00 0.00 H new ATOM 0 HB3 LYS B 50 6.125 -13.826 -4.956 1.00 0.00 H new ATOM 0 HG2 LYS B 50 6.606 -16.132 -5.063 1.00 0.00 H new ATOM 0 HG3 LYS B 50 5.536 -15.843 -6.421 1.00 0.00 H new ATOM 0 HD2 LYS B 50 7.323 -17.226 -7.226 1.00 0.00 H new ATOM 0 HD3 LYS B 50 7.574 -15.630 -7.904 1.00 0.00 H new ATOM 0 HE2 LYS B 50 9.223 -15.120 -6.118 1.00 0.00 H new ATOM 0 HE3 LYS B 50 8.958 -16.701 -5.410 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 10.927 -16.679 -6.795 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 9.763 -17.722 -7.459 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 10.020 -16.190 -8.144 1.00 0.00 H new ATOM 1628 N THR B 51 5.942 -10.942 -7.511 1.00 0.00 N ATOM 1629 CA THR B 51 5.656 -9.551 -7.199 1.00 0.00 C ATOM 1630 C THR B 51 4.433 -9.054 -7.960 1.00 0.00 C ATOM 1631 O THR B 51 4.288 -9.298 -9.158 1.00 0.00 O ATOM 1632 CB THR B 51 6.869 -8.679 -7.529 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.005 -9.100 -6.794 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.652 -7.211 -7.235 1.00 0.00 C ATOM 0 H THR B 51 6.175 -11.117 -8.488 1.00 0.00 H new ATOM 0 HA THR B 51 5.442 -9.482 -6.133 1.00 0.00 H new ATOM 0 HB THR B 51 7.024 -8.798 -8.601 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.173 -10.050 -6.967 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.551 -6.652 -7.492 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.814 -6.842 -7.826 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.434 -7.081 -6.175 1.00 0.00 H new ATOM 1642 N PHE B 52 3.560 -8.345 -7.253 1.00 0.00 N ATOM 1643 CA PHE B 52 2.347 -7.796 -7.853 1.00 0.00 C ATOM 1644 C PHE B 52 2.471 -6.281 -7.982 1.00 0.00 C ATOM 1645 O PHE B 52 3.127 -5.644 -7.168 1.00 0.00 O ATOM 1646 CB PHE B 52 1.126 -8.138 -6.995 1.00 0.00 C ATOM 1647 CG PHE B 52 0.985 -9.602 -6.680 1.00 0.00 C ATOM 1648 CD1 PHE B 52 1.925 -10.249 -5.892 1.00 0.00 C ATOM 1649 CD2 PHE B 52 -0.092 -10.329 -7.162 1.00 0.00 C ATOM 1650 CE1 PHE B 52 1.794 -11.593 -5.596 1.00 0.00 C ATOM 1651 CE2 PHE B 52 -0.228 -11.672 -6.867 1.00 0.00 C ATOM 1652 CZ PHE B 52 0.715 -12.305 -6.082 1.00 0.00 C ATOM 0 H PHE B 52 3.669 -8.136 -6.261 1.00 0.00 H new ATOM 0 HA PHE B 52 2.219 -8.235 -8.842 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.185 -7.581 -6.060 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.227 -7.801 -7.511 1.00 0.00 H new ATOM 0 HD1 PHE B 52 2.769 -9.697 -5.505 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.834 -9.840 -7.776 1.00 0.00 H new ATOM 0 HE1 PHE B 52 2.535 -12.086 -4.985 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -1.072 -12.226 -7.250 1.00 0.00 H new ATOM 0 HZ PHE B 52 0.609 -13.354 -5.849 1.00 0.00 H new ATOM 1662 N THR B 53 1.845 -5.701 -9.000 1.00 0.00 N ATOM 1663 CA THR B 53 1.911 -4.254 -9.195 1.00 0.00 C ATOM 1664 C THR B 53 0.527 -3.613 -9.183 1.00 0.00 C ATOM 1665 O THR B 53 -0.281 -3.822 -10.087 1.00 0.00 O ATOM 1666 CB THR B 53 2.639 -3.909 -10.495 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.277 -4.802 -11.531 1.00 0.00 O ATOM 1668 CG2 THR B 53 4.146 -3.926 -10.365 1.00 0.00 C ATOM 0 H THR B 53 1.292 -6.201 -9.696 1.00 0.00 H new ATOM 0 HA THR B 53 2.475 -3.847 -8.356 1.00 0.00 H new ATOM 0 HB THR B 53 2.329 -2.892 -10.734 1.00 0.00 H new ATOM 0 HG1 THR B 53 1.435 -4.508 -11.937 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.597 -3.672 -11.324 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.455 -3.198 -9.615 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.474 -4.920 -10.062 1.00 0.00 H new ATOM 1676 N VAL B 54 0.278 -2.814 -8.150 1.00 0.00 N ATOM 1677 CA VAL B 54 -0.991 -2.110 -8.006 1.00 0.00 C ATOM 1678 C VAL B 54 -0.902 -0.735 -8.663 1.00 0.00 C ATOM 1679 O VAL B 54 -0.225 0.161 -8.159 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.388 -1.958 -6.520 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -2.715 -1.221 -6.386 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.458 -3.321 -5.849 1.00 0.00 C ATOM 0 H VAL B 54 0.943 -2.638 -7.397 1.00 0.00 H new ATOM 0 HA VAL B 54 -1.761 -2.702 -8.501 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.623 -1.366 -6.019 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -2.974 -1.126 -5.331 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -2.626 -0.229 -6.829 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.495 -1.780 -6.902 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -1.739 -3.198 -4.803 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -2.202 -3.937 -6.354 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.484 -3.806 -5.908 1.00 0.00 H new ATOM 1692 N THR B 55 -1.573 -0.581 -9.802 1.00 0.00 N ATOM 1693 CA THR B 55 -1.547 0.682 -10.534 1.00 0.00 C ATOM 1694 C THR B 55 -2.844 1.464 -10.354 1.00 0.00 C ATOM 1695 O THR B 55 -3.922 0.987 -10.708 1.00 0.00 O ATOM 1696 CB THR B 55 -1.297 0.427 -12.019 1.00 0.00 C ATOM 1697 OG1 THR B 55 -0.129 -0.355 -12.203 1.00 0.00 O ATOM 1698 CG2 THR B 55 -1.122 1.698 -12.820 1.00 0.00 C ATOM 0 H THR B 55 -2.138 -1.311 -10.236 1.00 0.00 H new ATOM 0 HA THR B 55 -0.733 1.282 -10.126 1.00 0.00 H new ATOM 0 HB THR B 55 -2.185 -0.094 -12.377 1.00 0.00 H new ATOM 0 HG1 THR B 55 0.014 -0.509 -13.160 1.00 0.00 H new ATOM 0 HG21 THR B 55 -0.948 1.448 -13.866 1.00 0.00 H new ATOM 0 HG22 THR B 55 -2.022 2.307 -12.738 1.00 0.00 H new ATOM 0 HG23 THR B 55 -0.270 2.257 -12.434 1.00 0.00 H new ATOM 1706 N GLU B 56 -2.731 2.670 -9.800 1.00 0.00 N ATOM 1707 CA GLU B 56 -3.898 3.516 -9.576 1.00 0.00 C ATOM 1708 C GLU B 56 -4.602 3.833 -10.891 1.00 0.00 C ATOM 1709 O GLU B 56 -5.829 4.068 -10.863 1.00 0.00 O ATOM 1710 CB GLU B 56 -3.487 4.815 -8.878 1.00 0.00 C ATOM 1711 CG GLU B 56 -4.651 5.751 -8.597 1.00 0.00 C ATOM 1712 CD GLU B 56 -5.703 5.122 -7.705 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -5.366 4.743 -6.564 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -6.866 5.009 -8.147 1.00 0.00 O ATOM 1715 OXT GLU B 56 -3.921 3.841 -11.939 1.00 0.00 O ATOM 0 H GLU B 56 -1.847 3.080 -9.500 1.00 0.00 H new ATOM 0 HA GLU B 56 -4.592 2.971 -8.936 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -2.993 4.571 -7.938 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -2.756 5.334 -9.497 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -4.276 6.659 -8.125 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -5.110 6.047 -9.540 1.00 0.00 H new