USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 822 hydrogens (10 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 50 ZNZN :(H bumps) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -140:sc= -0.0802 USER MOD Single : A 25 HIS : no HD1:sc= 1.08 K(o=1.1,f=-3.3!) USER MOD Single : A 26 ASN : amide:sc= -0.0694 X(o=-0.069,f=0.25) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 167:sc= 1.71 (180deg=0.8) USER MOD Single : A 45 THR OG1 : rot 72:sc= 1.14 USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc=-0.000522 X(o=-0.00052,f=-0.0066) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 17 TYR OH : rot -166:sc= 0.314 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot 170:sc= 0.0935 USER MOD Single : B 25 HIS : no HD1:sc= -0.0459 X(o=-0.046,f=-0.091) USER MOD Single : B 26 ASN : amide:sc= 0.661 K(o=0.66,f=-0.087) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 HIS : +bothHN:sc= 0.435 K(o=0.44,f=-5.9!) USER MOD Single : B 45 THR OG1 : rot 68:sc= 1.21 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 3.370 12.944 -12.934 1.00 0.00 C HETATM 2 O ACE A 0 3.226 12.798 -14.145 1.00 0.00 O HETATM 3 CH3 ACE A 0 2.933 14.225 -12.261 1.00 0.00 C HETATM 0 H1 ACE A 0 2.177 14.001 -11.508 1.00 0.00 H new HETATM 0 H2 ACE A 0 3.792 14.697 -11.784 1.00 0.00 H new HETATM 0 H3 ACE A 0 2.514 14.902 -13.005 1.00 0.00 H new ATOM 7 N ASP A 1 3.892 12.017 -12.134 1.00 0.00 N ATOM 8 CA ASP A 1 4.456 10.729 -12.589 1.00 0.00 C ATOM 9 C ASP A 1 3.993 9.521 -11.758 1.00 0.00 C ATOM 10 O ASP A 1 4.102 8.379 -12.200 1.00 0.00 O ATOM 11 CB ASP A 1 5.982 10.831 -12.525 1.00 0.00 C ATOM 12 CG ASP A 1 6.696 9.718 -13.316 1.00 0.00 C ATOM 13 OD1 ASP A 1 6.430 9.566 -14.533 1.00 0.00 O ATOM 14 OD2 ASP A 1 7.566 9.026 -12.737 1.00 0.00 O ATOM 0 H ASP A 1 3.940 12.135 -11.122 1.00 0.00 H new ATOM 0 HA ASP A 1 4.098 10.555 -13.604 1.00 0.00 H new ATOM 0 HB2 ASP A 1 6.292 11.801 -12.914 1.00 0.00 H new ATOM 0 HB3 ASP A 1 6.300 10.789 -11.483 1.00 0.00 H new ATOM 19 N TYR A 2 3.457 9.769 -10.562 1.00 0.00 N ATOM 20 CA TYR A 2 3.022 8.734 -9.610 1.00 0.00 C ATOM 21 C TYR A 2 2.026 7.716 -10.194 1.00 0.00 C ATOM 22 O TYR A 2 2.113 6.528 -9.889 1.00 0.00 O ATOM 23 CB TYR A 2 2.449 9.384 -8.343 1.00 0.00 C ATOM 24 CG TYR A 2 1.043 9.952 -8.456 1.00 0.00 C ATOM 25 CD1 TYR A 2 0.838 11.268 -8.919 1.00 0.00 C ATOM 26 CD2 TYR A 2 -0.063 9.160 -8.086 1.00 0.00 C ATOM 27 CE1 TYR A 2 -0.468 11.786 -9.020 1.00 0.00 C ATOM 28 CE2 TYR A 2 -1.371 9.675 -8.182 1.00 0.00 C ATOM 29 CZ TYR A 2 -1.577 10.992 -8.653 1.00 0.00 C ATOM 30 OH TYR A 2 -2.836 11.498 -8.760 1.00 0.00 O ATOM 0 H TYR A 2 3.308 10.717 -10.216 1.00 0.00 H new ATOM 0 HA TYR A 2 3.915 8.161 -9.363 1.00 0.00 H new ATOM 0 HB2 TYR A 2 2.455 8.642 -7.545 1.00 0.00 H new ATOM 0 HB3 TYR A 2 3.119 10.187 -8.037 1.00 0.00 H new ATOM 0 HD1 TYR A 2 1.684 11.880 -9.197 1.00 0.00 H new ATOM 0 HD2 TYR A 2 0.093 8.153 -7.727 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -0.622 12.793 -9.379 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -2.215 9.065 -7.896 1.00 0.00 H new ATOM 0 HH TYR A 2 -3.485 10.824 -8.469 1.00 0.00 H new ATOM 40 N LEU A 3 1.113 8.160 -11.065 1.00 0.00 N ATOM 41 CA LEU A 3 0.178 7.283 -11.789 1.00 0.00 C ATOM 42 C LEU A 3 0.922 6.322 -12.715 1.00 0.00 C ATOM 43 O LEU A 3 0.687 5.116 -12.673 1.00 0.00 O ATOM 44 CB LEU A 3 -0.831 8.101 -12.617 1.00 0.00 C ATOM 45 CG LEU A 3 -1.857 8.872 -11.777 1.00 0.00 C ATOM 46 CD1 LEU A 3 -2.721 9.745 -12.689 1.00 0.00 C ATOM 47 CD2 LEU A 3 -2.800 7.953 -10.992 1.00 0.00 C ATOM 0 H LEU A 3 0.999 9.148 -11.291 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.361 6.708 -11.036 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.284 8.808 -13.240 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.362 7.428 -13.290 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.283 9.469 -11.068 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.448 10.291 -12.088 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.087 10.453 -13.222 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.244 9.114 -13.407 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.502 8.557 -10.418 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.351 7.318 -11.686 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.218 7.329 -10.313 1.00 0.00 H new ATOM 59 N ARG A 4 1.861 6.837 -13.518 1.00 0.00 N ATOM 60 CA ARG A 4 2.733 5.998 -14.356 1.00 0.00 C ATOM 61 C ARG A 4 3.585 5.055 -13.509 1.00 0.00 C ATOM 62 O ARG A 4 3.715 3.896 -13.875 1.00 0.00 O ATOM 63 CB ARG A 4 3.584 6.860 -15.304 1.00 0.00 C ATOM 64 CG ARG A 4 4.454 5.980 -16.222 1.00 0.00 C ATOM 65 CD ARG A 4 5.084 6.756 -17.382 1.00 0.00 C ATOM 66 NE ARG A 4 5.968 7.846 -16.921 1.00 0.00 N ATOM 67 CZ ARG A 4 6.834 8.523 -17.646 1.00 0.00 C ATOM 68 NH1 ARG A 4 7.045 8.277 -18.911 1.00 0.00 N ATOM 69 NH2 ARG A 4 7.504 9.480 -17.083 1.00 0.00 N ATOM 0 H ARG A 4 2.039 7.837 -13.607 1.00 0.00 H new ATOM 0 HA ARG A 4 2.097 5.369 -14.979 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.933 7.491 -15.910 1.00 0.00 H new ATOM 0 HB3 ARG A 4 4.222 7.525 -14.722 1.00 0.00 H new ATOM 0 HG2 ARG A 4 5.245 5.519 -15.630 1.00 0.00 H new ATOM 0 HG3 ARG A 4 3.844 5.171 -16.624 1.00 0.00 H new ATOM 0 HD2 ARG A 4 5.655 6.069 -18.006 1.00 0.00 H new ATOM 0 HD3 ARG A 4 4.294 7.173 -18.007 1.00 0.00 H new ATOM 0 HE ARG A 4 5.900 8.102 -15.936 1.00 0.00 H new ATOM 0 HH11 ARG A 4 6.528 7.533 -19.379 1.00 0.00 H new ATOM 0 HH12 ARG A 4 7.727 8.829 -19.431 1.00 0.00 H new ATOM 0 HH21 ARG A 4 7.355 9.695 -16.097 1.00 0.00 H new ATOM 0 HH22 ARG A 4 8.180 10.017 -17.626 1.00 0.00 H new ATOM 83 N GLU A 5 4.107 5.495 -12.367 1.00 0.00 N ATOM 84 CA GLU A 5 4.833 4.622 -11.429 1.00 0.00 C ATOM 85 C GLU A 5 3.947 3.495 -10.845 1.00 0.00 C ATOM 86 O GLU A 5 4.428 2.383 -10.618 1.00 0.00 O ATOM 87 CB GLU A 5 5.492 5.488 -10.345 1.00 0.00 C ATOM 88 CG GLU A 5 6.430 4.691 -9.429 1.00 0.00 C ATOM 89 CD GLU A 5 7.385 5.612 -8.638 1.00 0.00 C ATOM 90 OE1 GLU A 5 6.919 6.546 -7.942 1.00 0.00 O ATOM 91 OE2 GLU A 5 8.622 5.398 -8.699 1.00 0.00 O ATOM 0 H GLU A 5 4.042 6.465 -12.060 1.00 0.00 H new ATOM 0 HA GLU A 5 5.615 4.096 -11.977 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.054 6.291 -10.821 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.716 5.957 -9.741 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.838 4.098 -8.732 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.014 3.992 -10.028 1.00 0.00 H new ATOM 98 N LEU A 6 2.643 3.748 -10.672 1.00 0.00 N ATOM 99 CA LEU A 6 1.621 2.763 -10.296 1.00 0.00 C ATOM 100 C LEU A 6 1.330 1.750 -11.422 1.00 0.00 C ATOM 101 O LEU A 6 1.460 0.539 -11.223 1.00 0.00 O ATOM 102 CB LEU A 6 0.337 3.524 -9.879 1.00 0.00 C ATOM 103 CG LEU A 6 -0.043 3.316 -8.411 1.00 0.00 C ATOM 104 CD1 LEU A 6 1.013 3.841 -7.436 1.00 0.00 C ATOM 105 CD2 LEU A 6 -1.346 4.053 -8.097 1.00 0.00 C ATOM 0 H LEU A 6 2.256 4.683 -10.795 1.00 0.00 H new ATOM 0 HA LEU A 6 1.996 2.174 -9.459 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.479 4.589 -10.062 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.490 3.199 -10.510 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.140 2.238 -8.280 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.683 3.663 -6.412 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.957 3.324 -7.608 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.152 4.911 -7.592 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.608 3.899 -7.050 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.216 5.119 -8.285 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.144 3.667 -8.731 1.00 0.00 H new ATOM 117 N LEU A 7 0.949 2.241 -12.607 1.00 0.00 N ATOM 118 CA LEU A 7 0.660 1.419 -13.788 1.00 0.00 C ATOM 119 C LEU A 7 1.873 0.624 -14.290 1.00 0.00 C ATOM 120 O LEU A 7 1.711 -0.545 -14.650 1.00 0.00 O ATOM 121 CB LEU A 7 0.078 2.262 -14.938 1.00 0.00 C ATOM 122 CG LEU A 7 -1.449 2.472 -14.836 1.00 0.00 C ATOM 123 CD1 LEU A 7 -1.794 3.907 -14.448 1.00 0.00 C ATOM 124 CD2 LEU A 7 -2.137 2.169 -16.167 1.00 0.00 C ATOM 0 H LEU A 7 0.831 3.240 -12.775 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.087 0.697 -13.458 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.570 3.234 -14.951 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.307 1.776 -15.886 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.802 1.787 -14.065 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.877 4.017 -14.386 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.350 4.139 -13.480 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.402 4.592 -15.200 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.211 2.325 -16.065 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.745 2.832 -16.938 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.946 1.133 -16.448 1.00 0.00 H new ATOM 136 N LYS A 8 3.086 1.201 -14.271 1.00 0.00 N ATOM 137 CA LYS A 8 4.363 0.518 -14.548 1.00 0.00 C ATOM 138 C LYS A 8 4.783 -0.459 -13.431 1.00 0.00 C ATOM 139 O LYS A 8 5.927 -0.476 -12.974 1.00 0.00 O ATOM 140 CB LYS A 8 5.440 1.570 -14.872 1.00 0.00 C ATOM 141 CG LYS A 8 6.647 0.958 -15.600 1.00 0.00 C ATOM 142 CD LYS A 8 7.973 1.167 -14.857 1.00 0.00 C ATOM 143 CE LYS A 8 9.024 0.336 -15.589 1.00 0.00 C ATOM 144 NZ LYS A 8 10.333 0.335 -14.884 1.00 0.00 N ATOM 0 H LYS A 8 3.210 2.190 -14.055 1.00 0.00 H new ATOM 0 HA LYS A 8 4.232 -0.120 -15.422 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.005 2.355 -15.490 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.775 2.041 -13.948 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.478 -0.110 -15.734 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.723 1.396 -16.595 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.250 2.221 -14.850 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.887 0.853 -13.817 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.668 -0.689 -15.690 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.157 0.729 -16.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.014 -0.242 -15.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 10.688 1.310 -14.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.214 -0.064 -13.931 1.00 0.00 H new ATOM 158 N GLY A 9 3.845 -1.286 -12.981 1.00 0.00 N ATOM 159 CA GLY A 9 4.128 -2.368 -12.046 1.00 0.00 C ATOM 160 C GLY A 9 3.069 -3.427 -11.781 1.00 0.00 C ATOM 161 O GLY A 9 3.404 -4.609 -11.739 1.00 0.00 O ATOM 0 H GLY A 9 2.865 -1.224 -13.256 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.021 -2.882 -12.402 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.382 -1.914 -11.088 1.00 0.00 H new ATOM 165 N GLU A 10 1.798 -3.055 -11.646 1.00 0.00 N ATOM 166 CA GLU A 10 0.727 -4.044 -11.382 1.00 0.00 C ATOM 167 C GLU A 10 0.617 -5.113 -12.491 1.00 0.00 C ATOM 168 O GLU A 10 0.277 -6.263 -12.203 1.00 0.00 O ATOM 169 CB GLU A 10 -0.624 -3.333 -11.166 1.00 0.00 C ATOM 170 CG GLU A 10 -0.817 -2.697 -9.773 1.00 0.00 C ATOM 171 CD GLU A 10 -1.807 -3.477 -8.896 1.00 0.00 C ATOM 172 OE1 GLU A 10 -1.610 -4.581 -8.366 1.00 0.00 O ATOM 173 OE2 GLU A 10 -2.978 -3.159 -8.600 1.00 0.00 O ATOM 0 H GLU A 10 1.475 -2.090 -11.712 1.00 0.00 H new ATOM 0 HA GLU A 10 0.998 -4.572 -10.468 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.731 -2.554 -11.921 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.426 -4.052 -11.334 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.147 -2.643 -9.266 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.172 -1.673 -9.892 1.00 0.00 H new ATOM 180 N LEU A 11 0.986 -4.790 -13.740 1.00 0.00 N ATOM 181 CA LEU A 11 0.990 -5.734 -14.866 1.00 0.00 C ATOM 182 C LEU A 11 2.005 -6.880 -14.670 1.00 0.00 C ATOM 183 O LEU A 11 1.755 -8.022 -15.062 1.00 0.00 O ATOM 184 CB LEU A 11 1.169 -4.879 -16.147 1.00 0.00 C ATOM 185 CG LEU A 11 2.126 -5.413 -17.222 1.00 0.00 C ATOM 186 CD1 LEU A 11 1.522 -6.548 -18.052 1.00 0.00 C ATOM 187 CD2 LEU A 11 2.519 -4.294 -18.185 1.00 0.00 C ATOM 0 H LEU A 11 1.294 -3.853 -13.999 1.00 0.00 H new ATOM 0 HA LEU A 11 0.052 -6.283 -14.948 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.188 -4.747 -16.604 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.517 -3.890 -15.847 1.00 0.00 H new ATOM 0 HG LEU A 11 2.992 -5.799 -16.684 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.247 -6.882 -18.794 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.264 -7.380 -17.397 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.624 -6.192 -18.557 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.198 -4.687 -18.942 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.625 -3.900 -18.669 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.015 -3.496 -17.632 1.00 0.00 H new ATOM 199 N GLN A 12 3.115 -6.594 -13.990 1.00 0.00 N ATOM 200 CA GLN A 12 4.185 -7.541 -13.682 1.00 0.00 C ATOM 201 C GLN A 12 3.716 -8.646 -12.717 1.00 0.00 C ATOM 202 O GLN A 12 4.280 -9.740 -12.708 1.00 0.00 O ATOM 203 CB GLN A 12 5.399 -6.752 -13.147 1.00 0.00 C ATOM 204 CG GLN A 12 6.764 -7.429 -13.365 1.00 0.00 C ATOM 205 CD GLN A 12 7.309 -8.159 -12.137 1.00 0.00 C ATOM 206 OE1 GLN A 12 7.365 -9.380 -12.068 1.00 0.00 O ATOM 207 NE2 GLN A 12 7.769 -7.442 -11.131 1.00 0.00 N ATOM 0 H GLN A 12 3.300 -5.660 -13.625 1.00 0.00 H new ATOM 0 HA GLN A 12 4.483 -8.067 -14.589 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.416 -5.773 -13.625 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.261 -6.583 -12.079 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.676 -8.140 -14.186 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.486 -6.673 -13.674 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.731 -6.424 -11.171 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.163 -7.906 -10.313 1.00 0.00 H new ATOM 216 N GLY A 13 2.637 -8.399 -11.961 1.00 0.00 N ATOM 217 CA GLY A 13 1.994 -9.394 -11.103 1.00 0.00 C ATOM 218 C GLY A 13 0.977 -10.242 -11.866 1.00 0.00 C ATOM 219 O GLY A 13 0.973 -11.464 -11.711 1.00 0.00 O ATOM 0 H GLY A 13 2.182 -7.487 -11.931 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.754 -10.044 -10.670 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.496 -8.890 -10.275 1.00 0.00 H new ATOM 223 N ILE A 14 0.164 -9.631 -12.743 1.00 0.00 N ATOM 224 CA ILE A 14 -0.902 -10.343 -13.486 1.00 0.00 C ATOM 225 C ILE A 14 -0.322 -11.521 -14.283 1.00 0.00 C ATOM 226 O ILE A 14 -0.824 -12.646 -14.197 1.00 0.00 O ATOM 227 CB ILE A 14 -1.679 -9.381 -14.417 1.00 0.00 C ATOM 228 CG1 ILE A 14 -2.374 -8.261 -13.613 1.00 0.00 C ATOM 229 CG2 ILE A 14 -2.734 -10.138 -15.251 1.00 0.00 C ATOM 230 CD1 ILE A 14 -2.932 -7.134 -14.490 1.00 0.00 C ATOM 0 H ILE A 14 0.222 -8.636 -12.960 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.606 -10.739 -12.754 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.948 -8.934 -15.090 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.187 -8.694 -13.031 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.663 -7.840 -12.903 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.262 -9.434 -15.894 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.240 -10.891 -15.865 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.445 -10.624 -14.583 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.406 -6.382 -13.859 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.119 -6.675 -15.053 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.668 -7.542 -15.183 1.00 0.00 H new ATOM 242 N LYS A 15 0.766 -11.275 -15.026 1.00 0.00 N ATOM 243 CA LYS A 15 1.396 -12.290 -15.880 1.00 0.00 C ATOM 244 C LYS A 15 2.103 -13.410 -15.104 1.00 0.00 C ATOM 245 O LYS A 15 2.189 -14.531 -15.607 1.00 0.00 O ATOM 246 CB LYS A 15 2.316 -11.627 -16.924 1.00 0.00 C ATOM 247 CG LYS A 15 1.502 -11.209 -18.162 1.00 0.00 C ATOM 248 CD LYS A 15 2.388 -10.595 -19.257 1.00 0.00 C ATOM 249 CE LYS A 15 1.688 -10.556 -20.627 1.00 0.00 C ATOM 250 NZ LYS A 15 0.500 -9.659 -20.651 1.00 0.00 N ATOM 0 H LYS A 15 1.233 -10.368 -15.052 1.00 0.00 H new ATOM 0 HA LYS A 15 0.587 -12.794 -16.408 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.803 -10.754 -16.488 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.105 -12.320 -17.216 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.981 -12.078 -18.563 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.739 -10.488 -17.867 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.669 -9.583 -18.967 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.310 -11.171 -19.340 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.400 -10.226 -21.383 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.379 -11.565 -20.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.072 -9.675 -21.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.196 -9.986 -19.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.793 -8.688 -20.420 1.00 0.00 H new ATOM 264 N GLN A 16 2.551 -13.151 -13.873 1.00 0.00 N ATOM 265 CA GLN A 16 3.167 -14.151 -13.002 1.00 0.00 C ATOM 266 C GLN A 16 2.145 -15.009 -12.254 1.00 0.00 C ATOM 267 O GLN A 16 2.350 -16.212 -12.106 1.00 0.00 O ATOM 268 CB GLN A 16 4.107 -13.444 -12.021 1.00 0.00 C ATOM 269 CG GLN A 16 5.487 -13.136 -12.632 1.00 0.00 C ATOM 270 CD GLN A 16 6.618 -13.781 -11.831 1.00 0.00 C ATOM 271 OE1 GLN A 16 7.025 -13.303 -10.782 1.00 0.00 O ATOM 272 NE2 GLN A 16 7.159 -14.899 -12.274 1.00 0.00 N ATOM 0 H GLN A 16 2.494 -12.225 -13.448 1.00 0.00 H new ATOM 0 HA GLN A 16 3.728 -14.841 -13.632 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.646 -12.514 -11.690 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.237 -14.068 -11.137 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.518 -13.496 -13.660 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.636 -12.057 -12.668 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.832 -15.313 -13.147 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.904 -15.350 -11.743 1.00 0.00 H new ATOM 281 N TYR A 17 1.010 -14.442 -11.846 1.00 0.00 N ATOM 282 CA TYR A 17 -0.082 -15.208 -11.245 1.00 0.00 C ATOM 283 C TYR A 17 -0.654 -16.266 -12.191 1.00 0.00 C ATOM 284 O TYR A 17 -0.954 -17.382 -11.760 1.00 0.00 O ATOM 285 CB TYR A 17 -1.203 -14.265 -10.806 1.00 0.00 C ATOM 286 CG TYR A 17 -0.952 -13.542 -9.491 1.00 0.00 C ATOM 287 CD1 TYR A 17 -0.622 -14.271 -8.329 1.00 0.00 C ATOM 288 CD2 TYR A 17 -1.062 -12.139 -9.424 1.00 0.00 C ATOM 289 CE1 TYR A 17 -0.382 -13.600 -7.115 1.00 0.00 C ATOM 290 CE2 TYR A 17 -0.830 -11.466 -8.208 1.00 0.00 C ATOM 291 CZ TYR A 17 -0.490 -12.196 -7.050 1.00 0.00 C ATOM 292 OH TYR A 17 -0.352 -11.564 -5.854 1.00 0.00 O ATOM 0 H TYR A 17 0.822 -13.442 -11.922 1.00 0.00 H new ATOM 0 HA TYR A 17 0.336 -15.729 -10.384 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.361 -13.522 -11.588 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.127 -14.837 -10.719 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.553 -15.348 -8.371 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.325 -11.577 -10.308 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.115 -14.162 -6.232 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.913 -10.390 -8.163 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.453 -10.598 -5.981 1.00 0.00 H new ATOM 302 N ARG A 18 -0.762 -15.941 -13.487 1.00 0.00 N ATOM 303 CA ARG A 18 -1.225 -16.894 -14.510 1.00 0.00 C ATOM 304 C ARG A 18 -0.322 -18.135 -14.599 1.00 0.00 C ATOM 305 O ARG A 18 -0.796 -19.245 -14.837 1.00 0.00 O ATOM 306 CB ARG A 18 -1.331 -16.197 -15.884 1.00 0.00 C ATOM 307 CG ARG A 18 -2.725 -16.264 -16.527 1.00 0.00 C ATOM 308 CD ARG A 18 -3.742 -15.403 -15.770 1.00 0.00 C ATOM 309 NE ARG A 18 -5.023 -15.281 -16.496 1.00 0.00 N ATOM 310 CZ ARG A 18 -6.093 -16.051 -16.387 1.00 0.00 C ATOM 311 NH1 ARG A 18 -6.117 -17.118 -15.638 1.00 0.00 N ATOM 312 NH2 ARG A 18 -7.179 -15.755 -17.042 1.00 0.00 N ATOM 0 H ARG A 18 -0.533 -15.018 -13.855 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.214 -17.240 -14.210 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.048 -15.151 -15.769 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.609 -16.650 -16.564 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.664 -15.929 -17.562 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.067 -17.299 -16.546 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.924 -15.839 -14.787 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.324 -14.410 -15.606 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.090 -14.511 -17.161 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.289 -17.387 -15.107 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.964 -17.684 -15.583 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.205 -14.929 -17.640 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.004 -16.349 -16.957 1.00 0.00 H new ATOM 326 N GLU A 19 0.976 -17.933 -14.381 1.00 0.00 N ATOM 327 CA GLU A 19 2.034 -18.951 -14.400 1.00 0.00 C ATOM 328 C GLU A 19 2.132 -19.744 -13.082 1.00 0.00 C ATOM 329 O GLU A 19 2.432 -20.935 -13.087 1.00 0.00 O ATOM 330 CB GLU A 19 3.354 -18.208 -14.662 1.00 0.00 C ATOM 331 CG GLU A 19 4.470 -19.101 -15.213 1.00 0.00 C ATOM 332 CD GLU A 19 5.684 -18.248 -15.641 1.00 0.00 C ATOM 333 OE1 GLU A 19 6.357 -17.650 -14.766 1.00 0.00 O ATOM 334 OE2 GLU A 19 5.974 -18.169 -16.861 1.00 0.00 O ATOM 0 H GLU A 19 1.342 -17.004 -14.174 1.00 0.00 H new ATOM 0 HA GLU A 19 1.810 -19.685 -15.174 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.169 -17.397 -15.367 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.693 -17.751 -13.732 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.774 -19.822 -14.455 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.100 -19.671 -16.065 1.00 0.00 H new ATOM 341 N ALA A 20 1.860 -19.099 -11.945 1.00 0.00 N ATOM 342 CA ALA A 20 1.968 -19.681 -10.602 1.00 0.00 C ATOM 343 C ALA A 20 0.886 -20.732 -10.300 1.00 0.00 C ATOM 344 O ALA A 20 1.154 -21.691 -9.572 1.00 0.00 O ATOM 345 CB ALA A 20 1.930 -18.540 -9.579 1.00 0.00 C ATOM 0 H ALA A 20 1.549 -18.128 -11.932 1.00 0.00 H new ATOM 0 HA ALA A 20 2.913 -20.221 -10.541 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.009 -18.951 -8.573 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.763 -17.861 -9.760 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.991 -17.996 -9.676 1.00 0.00 H new ATOM 351 N LEU A 21 -0.298 -20.606 -10.917 1.00 0.00 N ATOM 352 CA LEU A 21 -1.376 -21.607 -10.880 1.00 0.00 C ATOM 353 C LEU A 21 -0.860 -22.993 -11.274 1.00 0.00 C ATOM 354 O LEU A 21 -1.315 -23.987 -10.722 1.00 0.00 O ATOM 355 CB LEU A 21 -2.527 -21.124 -11.784 1.00 0.00 C ATOM 356 CG LEU A 21 -3.889 -21.848 -11.817 1.00 0.00 C ATOM 357 CD1 LEU A 21 -3.884 -23.211 -12.510 1.00 0.00 C ATOM 358 CD2 LEU A 21 -4.517 -21.970 -10.432 1.00 0.00 C ATOM 0 H LEU A 21 -0.539 -19.784 -11.470 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.754 -21.710 -9.863 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.727 -20.087 -11.514 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.146 -21.120 -12.805 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.505 -21.196 -12.435 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.886 -23.638 -12.480 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.571 -23.091 -13.547 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.191 -23.877 -11.997 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.473 -22.487 -10.510 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.852 -22.535 -9.779 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.675 -20.975 -10.015 1.00 0.00 H new ATOM 370 N GLU A 22 0.145 -23.086 -12.149 1.00 0.00 N ATOM 371 CA GLU A 22 0.700 -24.395 -12.534 1.00 0.00 C ATOM 372 C GLU A 22 1.376 -25.168 -11.388 1.00 0.00 C ATOM 373 O GLU A 22 1.467 -26.396 -11.452 1.00 0.00 O ATOM 374 CB GLU A 22 1.701 -24.248 -13.681 1.00 0.00 C ATOM 375 CG GLU A 22 1.188 -24.859 -14.995 1.00 0.00 C ATOM 376 CD GLU A 22 1.067 -26.397 -14.930 1.00 0.00 C ATOM 377 OE1 GLU A 22 0.033 -26.911 -14.433 1.00 0.00 O ATOM 378 OE2 GLU A 22 1.995 -27.102 -15.397 1.00 0.00 O ATOM 0 H GLU A 22 0.588 -22.286 -12.601 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.167 -24.978 -12.844 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.917 -23.191 -13.836 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.639 -24.728 -13.403 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.214 -24.432 -15.234 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.863 -24.586 -15.806 1.00 0.00 H new ATOM 385 N TYR A 23 1.828 -24.473 -10.340 1.00 0.00 N ATOM 386 CA TYR A 23 2.507 -25.084 -9.190 1.00 0.00 C ATOM 387 C TYR A 23 1.641 -25.101 -7.923 1.00 0.00 C ATOM 388 O TYR A 23 1.828 -25.970 -7.068 1.00 0.00 O ATOM 389 CB TYR A 23 3.843 -24.369 -8.946 1.00 0.00 C ATOM 390 CG TYR A 23 4.844 -24.527 -10.079 1.00 0.00 C ATOM 391 CD1 TYR A 23 5.358 -25.803 -10.386 1.00 0.00 C ATOM 392 CD2 TYR A 23 5.263 -23.405 -10.822 1.00 0.00 C ATOM 393 CE1 TYR A 23 6.289 -25.959 -11.432 1.00 0.00 C ATOM 394 CE2 TYR A 23 6.199 -23.556 -11.865 1.00 0.00 C ATOM 395 CZ TYR A 23 6.715 -24.836 -12.173 1.00 0.00 C ATOM 396 OH TYR A 23 7.624 -24.994 -13.174 1.00 0.00 O ATOM 0 H TYR A 23 1.733 -23.460 -10.264 1.00 0.00 H new ATOM 0 HA TYR A 23 2.695 -26.130 -9.432 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.652 -23.307 -8.789 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.286 -24.753 -8.027 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.037 -26.664 -9.818 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.866 -22.427 -10.592 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.677 -26.939 -11.667 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.522 -22.694 -12.429 1.00 0.00 H new ATOM 0 HH TYR A 23 7.811 -24.125 -13.586 1.00 0.00 H new ATOM 406 N THR A 24 0.665 -24.195 -7.810 1.00 0.00 N ATOM 407 CA THR A 24 -0.276 -24.137 -6.677 1.00 0.00 C ATOM 408 C THR A 24 -1.582 -24.893 -6.958 1.00 0.00 C ATOM 409 O THR A 24 -2.089 -25.607 -6.095 1.00 0.00 O ATOM 410 CB THR A 24 -0.602 -22.675 -6.341 1.00 0.00 C ATOM 411 OG1 THR A 24 -1.204 -22.080 -7.462 1.00 0.00 O ATOM 412 CG2 THR A 24 0.633 -21.838 -6.001 1.00 0.00 C ATOM 0 H THR A 24 0.501 -23.471 -8.509 1.00 0.00 H new ATOM 0 HA THR A 24 0.214 -24.622 -5.832 1.00 0.00 H new ATOM 0 HB THR A 24 -1.252 -22.695 -5.466 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.867 -21.166 -7.568 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.329 -20.816 -5.774 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.136 -22.268 -5.135 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.315 -21.833 -6.851 1.00 0.00 H new ATOM 420 N HIS A 25 -2.113 -24.767 -8.180 1.00 0.00 N ATOM 421 CA HIS A 25 -3.449 -25.185 -8.648 1.00 0.00 C ATOM 422 C HIS A 25 -4.630 -24.791 -7.723 1.00 0.00 C ATOM 423 O HIS A 25 -5.702 -25.400 -7.780 1.00 0.00 O ATOM 424 CB HIS A 25 -3.413 -26.677 -9.059 1.00 0.00 C ATOM 425 CG HIS A 25 -2.991 -26.886 -10.497 1.00 0.00 C ATOM 426 ND1 HIS A 25 -3.842 -26.923 -11.589 1.00 0.00 N ATOM 427 CD2 HIS A 25 -1.714 -27.039 -10.963 1.00 0.00 C ATOM 428 CE1 HIS A 25 -3.092 -27.081 -12.699 1.00 0.00 C ATOM 429 NE2 HIS A 25 -1.794 -27.152 -12.342 1.00 0.00 N ATOM 0 H HIS A 25 -1.578 -24.334 -8.933 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.678 -24.599 -9.538 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.726 -27.212 -8.403 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.401 -27.113 -8.909 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.813 -27.067 -10.368 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -3.470 -27.141 -13.709 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -1.005 -27.269 -12.978 1.00 0.00 H new ATOM 438 N ASN A 26 -4.463 -23.775 -6.868 1.00 0.00 N ATOM 439 CA ASN A 26 -5.469 -23.349 -5.884 1.00 0.00 C ATOM 440 C ASN A 26 -6.562 -22.427 -6.478 1.00 0.00 C ATOM 441 O ASN A 26 -6.295 -21.682 -7.426 1.00 0.00 O ATOM 442 CB ASN A 26 -4.749 -22.674 -4.695 1.00 0.00 C ATOM 443 CG ASN A 26 -4.424 -23.687 -3.604 1.00 0.00 C ATOM 444 OD1 ASN A 26 -3.499 -24.474 -3.704 1.00 0.00 O ATOM 445 ND2 ASN A 26 -5.189 -23.727 -2.536 1.00 0.00 N ATOM 0 H ASN A 26 -3.611 -23.215 -6.839 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.001 -24.238 -5.545 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.830 -22.202 -5.043 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.378 -21.884 -4.286 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.005 -24.412 -1.802 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.966 -23.073 -2.441 1.00 0.00 H new ATOM 452 N PRO A 27 -7.765 -22.375 -5.865 1.00 0.00 N ATOM 453 CA PRO A 27 -8.839 -21.444 -6.243 1.00 0.00 C ATOM 454 C PRO A 27 -8.548 -19.975 -5.875 1.00 0.00 C ATOM 455 O PRO A 27 -9.316 -19.082 -6.232 1.00 0.00 O ATOM 456 CB PRO A 27 -10.085 -21.960 -5.512 1.00 0.00 C ATOM 457 CG PRO A 27 -9.512 -22.604 -4.252 1.00 0.00 C ATOM 458 CD PRO A 27 -8.209 -23.217 -4.759 1.00 0.00 C ATOM 0 HA PRO A 27 -8.958 -21.425 -7.326 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.775 -21.151 -5.272 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.637 -22.680 -6.116 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.336 -21.871 -3.465 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.183 -23.358 -3.841 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.460 -23.247 -3.968 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.365 -24.244 -5.090 1.00 0.00 H new ATOM 466 N VAL A 28 -7.453 -19.698 -5.156 1.00 0.00 N ATOM 467 CA VAL A 28 -7.113 -18.359 -4.650 1.00 0.00 C ATOM 468 C VAL A 28 -6.648 -17.419 -5.748 1.00 0.00 C ATOM 469 O VAL A 28 -6.914 -16.225 -5.702 1.00 0.00 O ATOM 470 CB VAL A 28 -6.074 -18.487 -3.522 1.00 0.00 C ATOM 471 CG1 VAL A 28 -4.615 -18.649 -3.972 1.00 0.00 C ATOM 472 CG2 VAL A 28 -6.199 -17.309 -2.567 1.00 0.00 C ATOM 0 H VAL A 28 -6.766 -20.409 -4.904 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.019 -17.907 -4.247 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.315 -19.426 -3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.971 -18.730 -3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.519 -19.550 -4.578 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.318 -17.782 -4.562 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.461 -17.406 -1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.027 -16.380 -3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.199 -17.296 -2.134 1.00 0.00 H new ATOM 482 N LEU A 29 -5.995 -17.948 -6.778 1.00 0.00 N ATOM 483 CA LEU A 29 -5.512 -17.174 -7.919 1.00 0.00 C ATOM 484 C LEU A 29 -6.678 -16.658 -8.784 1.00 0.00 C ATOM 485 O LEU A 29 -6.624 -15.531 -9.277 1.00 0.00 O ATOM 486 CB LEU A 29 -4.501 -18.033 -8.692 1.00 0.00 C ATOM 487 CG LEU A 29 -3.274 -18.417 -7.837 1.00 0.00 C ATOM 488 CD1 LEU A 29 -3.389 -19.830 -7.263 1.00 0.00 C ATOM 489 CD2 LEU A 29 -1.986 -18.349 -8.652 1.00 0.00 C ATOM 0 H LEU A 29 -5.782 -18.943 -6.845 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.000 -16.273 -7.580 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.993 -18.940 -9.043 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.168 -17.489 -9.576 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.245 -17.695 -7.021 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.503 -20.055 -6.669 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.275 -19.895 -6.632 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.471 -20.548 -8.079 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.141 -18.625 -8.021 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.051 -19.039 -9.493 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.844 -17.335 -9.025 1.00 0.00 H new ATOM 501 N ALA A 30 -7.790 -17.405 -8.819 1.00 0.00 N ATOM 502 CA ALA A 30 -9.111 -16.971 -9.298 1.00 0.00 C ATOM 503 C ALA A 30 -9.818 -15.946 -8.366 1.00 0.00 C ATOM 504 O ALA A 30 -11.014 -15.685 -8.514 1.00 0.00 O ATOM 505 CB ALA A 30 -9.967 -18.223 -9.540 1.00 0.00 C ATOM 0 H ALA A 30 -7.794 -18.374 -8.499 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.973 -16.423 -10.230 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.953 -17.926 -9.896 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.486 -18.854 -10.287 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.070 -18.779 -8.608 1.00 0.00 H new ATOM 511 N LYS A 31 -9.077 -15.344 -7.423 1.00 0.00 N ATOM 512 CA LYS A 31 -9.465 -14.214 -6.572 1.00 0.00 C ATOM 513 C LYS A 31 -8.379 -13.135 -6.540 1.00 0.00 C ATOM 514 O LYS A 31 -8.687 -11.966 -6.742 1.00 0.00 O ATOM 515 CB LYS A 31 -9.804 -14.725 -5.155 1.00 0.00 C ATOM 516 CG LYS A 31 -10.971 -13.970 -4.501 1.00 0.00 C ATOM 517 CD LYS A 31 -12.326 -14.415 -5.074 1.00 0.00 C ATOM 518 CE LYS A 31 -13.473 -13.688 -4.362 1.00 0.00 C ATOM 519 NZ LYS A 31 -14.798 -14.173 -4.833 1.00 0.00 N ATOM 0 H LYS A 31 -8.127 -15.657 -7.223 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.354 -13.746 -6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.050 -15.785 -5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.921 -14.634 -4.522 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.957 -14.140 -3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.844 -12.899 -4.656 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.362 -14.205 -6.143 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.441 -15.492 -4.956 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.390 -13.840 -3.286 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.392 -12.616 -4.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.553 -13.662 -4.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.886 -14.005 -5.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.883 -15.191 -4.641 1.00 0.00 H new ATOM 533 N ILE A 32 -7.109 -13.526 -6.395 1.00 0.00 N ATOM 534 CA ILE A 32 -5.964 -12.603 -6.385 1.00 0.00 C ATOM 535 C ILE A 32 -5.814 -11.907 -7.739 1.00 0.00 C ATOM 536 O ILE A 32 -6.034 -10.702 -7.830 1.00 0.00 O ATOM 537 CB ILE A 32 -4.649 -13.295 -5.971 1.00 0.00 C ATOM 538 CG1 ILE A 32 -4.700 -13.975 -4.586 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.544 -12.228 -5.928 1.00 0.00 C ATOM 540 CD1 ILE A 32 -3.636 -15.073 -4.477 1.00 0.00 C ATOM 0 H ILE A 32 -6.841 -14.504 -6.280 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.173 -11.848 -5.627 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.463 -14.080 -6.704 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.542 -13.231 -3.805 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.689 -14.404 -4.423 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.601 -12.692 -5.637 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.437 -11.775 -6.914 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.809 -11.459 -5.202 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.692 -15.537 -3.492 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.811 -15.827 -5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.647 -14.636 -4.617 1.00 0.00 H new ATOM 552 N LEU A 33 -5.490 -12.642 -8.808 1.00 0.00 N ATOM 553 CA LEU A 33 -5.314 -12.032 -10.129 1.00 0.00 C ATOM 554 C LEU A 33 -6.670 -11.664 -10.747 1.00 0.00 C ATOM 555 O LEU A 33 -6.748 -10.750 -11.559 1.00 0.00 O ATOM 556 CB LEU A 33 -4.404 -12.913 -11.010 1.00 0.00 C ATOM 557 CG LEU A 33 -5.131 -13.821 -12.015 1.00 0.00 C ATOM 558 CD1 LEU A 33 -5.179 -13.206 -13.414 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.487 -15.202 -12.131 1.00 0.00 C ATOM 0 H LEU A 33 -5.345 -13.651 -8.785 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.788 -11.082 -10.037 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.723 -12.264 -11.560 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.793 -13.538 -10.359 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.142 -13.925 -11.620 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.702 -13.882 -14.091 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.706 -12.253 -13.375 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.163 -13.044 -13.775 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.040 -15.802 -12.854 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.454 -15.095 -12.463 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.507 -15.695 -11.159 1.00 0.00 H new ATOM 571 N GLU A 34 -7.751 -12.320 -10.311 1.00 0.00 N ATOM 572 CA GLU A 34 -9.119 -11.912 -10.636 1.00 0.00 C ATOM 573 C GLU A 34 -9.415 -10.486 -10.138 1.00 0.00 C ATOM 574 O GLU A 34 -10.213 -9.771 -10.746 1.00 0.00 O ATOM 575 CB GLU A 34 -10.105 -12.938 -10.066 1.00 0.00 C ATOM 576 CG GLU A 34 -11.581 -12.720 -10.436 1.00 0.00 C ATOM 577 CD GLU A 34 -11.863 -12.791 -11.953 1.00 0.00 C ATOM 578 OE1 GLU A 34 -11.283 -13.654 -12.654 1.00 0.00 O ATOM 579 OE2 GLU A 34 -12.704 -12.001 -12.447 1.00 0.00 O ATOM 0 H GLU A 34 -7.700 -13.151 -9.721 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.236 -11.887 -11.719 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.807 -13.930 -10.407 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.017 -12.934 -8.980 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.187 -13.470 -9.928 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.899 -11.747 -10.062 1.00 0.00 H new ATOM 586 N ASP A 35 -8.747 -10.027 -9.071 1.00 0.00 N ATOM 587 CA ASP A 35 -8.706 -8.617 -8.706 1.00 0.00 C ATOM 588 C ASP A 35 -7.641 -7.797 -9.448 1.00 0.00 C ATOM 589 O ASP A 35 -7.953 -6.714 -9.940 1.00 0.00 O ATOM 590 CB ASP A 35 -8.485 -8.465 -7.204 1.00 0.00 C ATOM 591 CG ASP A 35 -9.564 -9.041 -6.275 1.00 0.00 C ATOM 592 OD1 ASP A 35 -10.731 -9.220 -6.705 1.00 0.00 O ATOM 593 OD2 ASP A 35 -9.227 -9.245 -5.085 1.00 0.00 O ATOM 0 H ASP A 35 -8.220 -10.630 -8.439 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.675 -8.218 -9.006 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.535 -8.937 -6.953 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.381 -7.403 -6.983 1.00 0.00 H new ATOM 598 N GLU A 36 -6.401 -8.274 -9.598 1.00 0.00 N ATOM 599 CA GLU A 36 -5.381 -7.528 -10.350 1.00 0.00 C ATOM 600 C GLU A 36 -5.774 -7.246 -11.811 1.00 0.00 C ATOM 601 O GLU A 36 -5.309 -6.264 -12.389 1.00 0.00 O ATOM 602 CB GLU A 36 -4.031 -8.254 -10.304 1.00 0.00 C ATOM 603 CG GLU A 36 -3.489 -8.619 -8.914 1.00 0.00 C ATOM 604 CD GLU A 36 -3.145 -7.439 -8.007 1.00 0.00 C ATOM 605 OE1 GLU A 36 -3.616 -6.288 -8.195 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.384 -7.610 -7.019 1.00 0.00 O ATOM 0 H GLU A 36 -6.080 -9.163 -9.214 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.298 -6.560 -9.855 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.118 -9.171 -10.886 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.291 -7.628 -10.804 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.228 -9.240 -8.407 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.594 -9.229 -9.042 1.00 0.00 H new ATOM 613 N GLU A 37 -6.675 -8.043 -12.394 1.00 0.00 N ATOM 614 CA GLU A 37 -7.134 -7.869 -13.784 1.00 0.00 C ATOM 615 C GLU A 37 -8.014 -6.617 -13.934 1.00 0.00 C ATOM 616 O GLU A 37 -8.027 -5.969 -14.985 1.00 0.00 O ATOM 617 CB GLU A 37 -7.894 -9.128 -14.237 1.00 0.00 C ATOM 618 CG GLU A 37 -8.141 -9.155 -15.752 1.00 0.00 C ATOM 619 CD GLU A 37 -8.798 -10.476 -16.197 1.00 0.00 C ATOM 620 OE1 GLU A 37 -8.068 -11.441 -16.533 1.00 0.00 O ATOM 621 OE2 GLU A 37 -10.050 -10.548 -16.243 1.00 0.00 O ATOM 0 H GLU A 37 -7.111 -8.832 -11.916 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.261 -7.728 -14.421 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.327 -10.013 -13.949 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.850 -9.178 -13.716 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.780 -8.318 -16.032 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.195 -9.023 -16.278 1.00 0.00 H new ATOM 628 N LYS A 38 -8.707 -6.254 -12.850 1.00 0.00 N ATOM 629 CA LYS A 38 -9.577 -5.077 -12.739 1.00 0.00 C ATOM 630 C LYS A 38 -8.897 -3.881 -12.076 1.00 0.00 C ATOM 631 O LYS A 38 -9.215 -2.758 -12.444 1.00 0.00 O ATOM 632 CB LYS A 38 -10.912 -5.484 -12.085 1.00 0.00 C ATOM 633 CG LYS A 38 -10.834 -6.155 -10.716 1.00 0.00 C ATOM 634 CD LYS A 38 -12.246 -6.454 -10.199 1.00 0.00 C ATOM 635 CE LYS A 38 -12.173 -7.132 -8.831 1.00 0.00 C ATOM 636 NZ LYS A 38 -12.190 -8.613 -8.945 1.00 0.00 N ATOM 0 H LYS A 38 -8.676 -6.797 -11.987 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.797 -4.714 -13.743 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.530 -4.591 -11.990 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.431 -6.160 -12.765 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.260 -7.079 -10.787 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.310 -5.507 -10.013 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.818 -5.529 -10.125 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.771 -7.098 -10.905 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.264 -6.818 -8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.013 -6.805 -8.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.920 -9.034 -8.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.146 -8.930 -9.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.516 -8.913 -9.678 1.00 0.00 H new ATOM 650 N HIS A 39 -7.905 -4.083 -11.204 1.00 0.00 N ATOM 651 CA HIS A 39 -7.155 -3.039 -10.505 1.00 0.00 C ATOM 652 C HIS A 39 -6.531 -1.967 -11.406 1.00 0.00 C ATOM 653 O HIS A 39 -6.676 -0.777 -11.125 1.00 0.00 O ATOM 654 CB HIS A 39 -6.058 -3.740 -9.710 1.00 0.00 C ATOM 655 CG HIS A 39 -6.448 -4.212 -8.344 1.00 0.00 C ATOM 656 ND1 HIS A 39 -5.532 -4.382 -7.300 1.00 0.00 N ATOM 657 CD2 HIS A 39 -7.712 -4.468 -7.902 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.295 -4.717 -6.240 1.00 0.00 C ATOM 659 NE2 HIS A 39 -7.595 -4.785 -6.574 1.00 0.00 N ATOM 0 H HIS A 39 -7.590 -5.021 -10.956 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.861 -2.494 -9.879 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.709 -4.598 -10.285 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.214 -3.058 -9.611 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.622 -4.429 -8.482 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.910 -4.907 -5.249 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.362 -5.030 -5.948 1.00 0.00 H new ATOM 667 N ILE A 40 -5.841 -2.369 -12.480 1.00 0.00 N ATOM 668 CA ILE A 40 -5.166 -1.406 -13.376 1.00 0.00 C ATOM 669 C ILE A 40 -6.170 -0.462 -14.051 1.00 0.00 C ATOM 670 O ILE A 40 -5.942 0.746 -14.101 1.00 0.00 O ATOM 671 CB ILE A 40 -4.261 -2.117 -14.410 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.162 -2.900 -13.663 1.00 0.00 C ATOM 673 CG2 ILE A 40 -3.605 -1.106 -15.369 1.00 0.00 C ATOM 674 CD1 ILE A 40 -2.199 -3.672 -14.572 1.00 0.00 C ATOM 0 H ILE A 40 -5.732 -3.346 -12.753 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.515 -0.792 -12.754 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.878 -2.795 -15.000 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.586 -2.202 -13.055 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.637 -3.603 -12.978 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.976 -1.637 -16.083 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.380 -0.558 -15.906 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.995 -0.406 -14.798 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.461 -4.192 -13.962 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.759 -4.398 -15.162 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.692 -2.976 -15.240 1.00 0.00 H new ATOM 686 N GLU A 41 -7.310 -0.977 -14.521 1.00 0.00 N ATOM 687 CA GLU A 41 -8.382 -0.126 -15.055 1.00 0.00 C ATOM 688 C GLU A 41 -9.148 0.616 -13.954 1.00 0.00 C ATOM 689 O GLU A 41 -9.549 1.761 -14.159 1.00 0.00 O ATOM 690 CB GLU A 41 -9.328 -0.932 -15.956 1.00 0.00 C ATOM 691 CG GLU A 41 -8.653 -1.262 -17.295 1.00 0.00 C ATOM 692 CD GLU A 41 -9.633 -1.937 -18.271 1.00 0.00 C ATOM 693 OE1 GLU A 41 -10.468 -1.229 -18.888 1.00 0.00 O ATOM 694 OE2 GLU A 41 -9.568 -3.178 -18.449 1.00 0.00 O ATOM 0 H GLU A 41 -7.516 -1.976 -14.543 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.905 0.640 -15.666 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.619 -1.854 -15.453 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.241 -0.364 -16.134 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.265 -0.347 -17.743 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.801 -1.919 -17.122 1.00 0.00 H new ATOM 701 N TRP A 42 -9.296 0.024 -12.767 1.00 0.00 N ATOM 702 CA TRP A 42 -9.871 0.670 -11.581 1.00 0.00 C ATOM 703 C TRP A 42 -9.159 1.978 -11.179 1.00 0.00 C ATOM 704 O TRP A 42 -9.857 2.960 -10.938 1.00 0.00 O ATOM 705 CB TRP A 42 -9.957 -0.362 -10.438 1.00 0.00 C ATOM 706 CG TRP A 42 -11.186 -1.218 -10.372 1.00 0.00 C ATOM 707 CD1 TRP A 42 -12.180 -1.280 -11.288 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.584 -2.120 -9.294 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.185 -2.109 -10.825 1.00 0.00 N ATOM 710 CE2 TRP A 42 -12.886 -2.625 -9.580 1.00 0.00 C ATOM 711 CE3 TRP A 42 -10.980 -2.551 -8.093 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.579 -3.463 -8.691 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -11.646 -3.422 -7.212 1.00 0.00 C ATOM 714 CH2 TRP A 42 -12.950 -3.865 -7.499 1.00 0.00 C ATOM 0 H TRP A 42 -9.013 -0.941 -12.598 1.00 0.00 H new ATOM 0 HA TRP A 42 -10.880 1.001 -11.826 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.092 -1.020 -10.513 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.869 0.174 -9.493 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.187 -0.762 -12.235 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -14.041 -2.314 -11.340 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -9.987 -2.205 -7.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.581 -3.794 -8.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.153 -3.753 -6.310 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.467 -4.512 -6.806 1.00 0.00 H new ATOM 725 N LEU A 43 -7.818 2.064 -11.171 1.00 0.00 N ATOM 726 CA LEU A 43 -7.101 3.335 -10.902 1.00 0.00 C ATOM 727 C LEU A 43 -7.031 4.305 -12.098 1.00 0.00 C ATOM 728 O LEU A 43 -6.940 5.515 -11.890 1.00 0.00 O ATOM 729 CB LEU A 43 -5.728 3.089 -10.254 1.00 0.00 C ATOM 730 CG LEU A 43 -4.732 2.386 -11.182 1.00 0.00 C ATOM 731 CD1 LEU A 43 -3.668 3.359 -11.676 1.00 0.00 C ATOM 732 CD2 LEU A 43 -4.016 1.239 -10.483 1.00 0.00 C ATOM 0 H LEU A 43 -7.202 1.270 -11.347 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.719 3.861 -10.174 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.307 4.044 -9.939 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.862 2.487 -9.355 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.316 1.999 -12.017 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.973 2.836 -12.333 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.144 4.171 -12.225 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.124 3.767 -10.824 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.319 0.768 -11.177 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.468 1.623 -9.623 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.748 0.503 -10.148 1.00 0.00 H new ATOM 744 N GLU A 44 -7.133 3.827 -13.340 1.00 0.00 N ATOM 745 CA GLU A 44 -7.231 4.682 -14.528 1.00 0.00 C ATOM 746 C GLU A 44 -8.618 5.317 -14.680 1.00 0.00 C ATOM 747 O GLU A 44 -8.733 6.475 -15.076 1.00 0.00 O ATOM 748 CB GLU A 44 -6.917 3.829 -15.767 1.00 0.00 C ATOM 749 CG GLU A 44 -5.632 4.287 -16.466 1.00 0.00 C ATOM 750 CD GLU A 44 -5.390 3.572 -17.814 1.00 0.00 C ATOM 751 OE1 GLU A 44 -5.674 2.354 -17.942 1.00 0.00 O ATOM 752 OE2 GLU A 44 -4.906 4.230 -18.766 1.00 0.00 O ATOM 0 H GLU A 44 -7.150 2.830 -13.553 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.517 5.498 -14.420 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.817 2.784 -15.473 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.751 3.885 -16.467 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.681 5.363 -16.635 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.782 4.106 -15.807 1.00 0.00 H new ATOM 759 N THR A 45 -9.675 4.594 -14.308 1.00 0.00 N ATOM 760 CA THR A 45 -11.051 5.098 -14.252 1.00 0.00 C ATOM 761 C THR A 45 -11.149 6.419 -13.475 1.00 0.00 C ATOM 762 O THR A 45 -11.866 7.337 -13.876 1.00 0.00 O ATOM 763 CB THR A 45 -11.984 4.037 -13.654 1.00 0.00 C ATOM 764 OG1 THR A 45 -12.053 2.910 -14.503 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.419 4.522 -13.454 1.00 0.00 C ATOM 0 H THR A 45 -9.598 3.616 -14.030 1.00 0.00 H new ATOM 0 HA THR A 45 -11.368 5.307 -15.274 1.00 0.00 H new ATOM 0 HB THR A 45 -11.554 3.798 -12.681 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.206 2.418 -14.464 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.019 3.718 -13.028 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.423 5.376 -12.777 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.840 4.819 -14.415 1.00 0.00 H new ATOM 773 N ILE A 46 -10.383 6.533 -12.386 1.00 0.00 N ATOM 774 CA ILE A 46 -10.376 7.689 -11.474 1.00 0.00 C ATOM 775 C ILE A 46 -9.846 8.970 -12.127 1.00 0.00 C ATOM 776 O ILE A 46 -10.380 10.053 -11.876 1.00 0.00 O ATOM 777 CB ILE A 46 -9.583 7.394 -10.175 1.00 0.00 C ATOM 778 CG1 ILE A 46 -9.769 5.930 -9.728 1.00 0.00 C ATOM 779 CG2 ILE A 46 -10.026 8.368 -9.068 1.00 0.00 C ATOM 780 CD1 ILE A 46 -9.071 5.546 -8.431 1.00 0.00 C ATOM 0 H ILE A 46 -9.729 5.803 -12.103 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.422 7.860 -11.219 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.521 7.540 -10.372 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.836 5.735 -9.617 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.406 5.277 -10.522 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.468 8.160 -8.155 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.832 9.392 -9.386 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.092 8.242 -8.878 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.267 4.497 -8.209 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.997 5.700 -8.536 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.449 6.165 -7.617 1.00 0.00 H new ATOM 792 N LEU A 47 -8.821 8.862 -12.980 1.00 0.00 N ATOM 793 CA LEU A 47 -8.218 10.031 -13.634 1.00 0.00 C ATOM 794 C LEU A 47 -9.168 10.704 -14.648 1.00 0.00 C ATOM 795 O LEU A 47 -9.056 11.905 -14.903 1.00 0.00 O ATOM 796 CB LEU A 47 -6.817 9.691 -14.192 1.00 0.00 C ATOM 797 CG LEU A 47 -6.733 9.108 -15.620 1.00 0.00 C ATOM 798 CD1 LEU A 47 -6.673 10.183 -16.707 1.00 0.00 C ATOM 799 CD2 LEU A 47 -5.464 8.266 -15.770 1.00 0.00 C ATOM 0 H LEU A 47 -8.390 7.974 -13.235 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.060 10.798 -12.876 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.216 10.600 -14.165 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.349 8.980 -13.512 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.640 8.518 -15.749 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.615 9.708 -17.686 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.569 10.802 -16.656 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.792 10.806 -16.554 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.414 7.860 -16.780 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.589 8.890 -15.587 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.483 7.448 -15.050 1.00 0.00 H new ATOM 811 N GLY A 48 -10.118 9.938 -15.198 1.00 0.00 N ATOM 812 CA GLY A 48 -11.157 10.409 -16.122 1.00 0.00 C ATOM 813 C GLY A 48 -11.869 9.291 -16.902 1.00 0.00 C ATOM 814 O GLY A 48 -12.969 9.495 -17.418 1.00 0.00 O ATOM 0 H GLY A 48 -10.187 8.939 -15.005 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.901 10.971 -15.557 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.707 11.101 -16.833 1.00 0.00 H new HETATM 818 N NH2 A 49 -11.290 8.099 -16.998 1.00 0.00 N TER 821 NH2 A 49 HETATM 822 C ACE B 0 10.641 -19.355 -5.337 1.00 0.00 C HETATM 823 O ACE B 0 9.804 -18.673 -4.754 1.00 0.00 O HETATM 824 CH3 ACE B 0 10.485 -20.854 -5.422 1.00 0.00 C HETATM 0 H1 ACE B 0 10.430 -21.155 -6.468 1.00 0.00 H new HETATM 0 H2 ACE B 0 11.341 -21.336 -4.950 1.00 0.00 H new HETATM 0 H3 ACE B 0 9.571 -21.154 -4.910 1.00 0.00 H new ATOM 828 N ASP B 1 11.712 -18.836 -5.937 1.00 0.00 N ATOM 829 CA ASP B 1 12.087 -17.409 -5.894 1.00 0.00 C ATOM 830 C ASP B 1 11.005 -16.451 -6.429 1.00 0.00 C ATOM 831 O ASP B 1 10.906 -15.299 -6.000 1.00 0.00 O ATOM 832 CB ASP B 1 13.391 -17.227 -6.681 1.00 0.00 C ATOM 833 CG ASP B 1 14.060 -15.868 -6.404 1.00 0.00 C ATOM 834 OD1 ASP B 1 14.505 -15.639 -5.253 1.00 0.00 O ATOM 835 OD2 ASP B 1 14.178 -15.049 -7.347 1.00 0.00 O ATOM 0 H ASP B 1 12.363 -19.403 -6.481 1.00 0.00 H new ATOM 0 HA ASP B 1 12.212 -17.142 -4.845 1.00 0.00 H new ATOM 0 HB2 ASP B 1 14.083 -18.029 -6.423 1.00 0.00 H new ATOM 0 HB3 ASP B 1 13.184 -17.316 -7.747 1.00 0.00 H new ATOM 840 N TYR B 2 10.154 -16.953 -7.329 1.00 0.00 N ATOM 841 CA TYR B 2 8.979 -16.250 -7.861 1.00 0.00 C ATOM 842 C TYR B 2 8.042 -15.708 -6.771 1.00 0.00 C ATOM 843 O TYR B 2 7.470 -14.632 -6.923 1.00 0.00 O ATOM 844 CB TYR B 2 8.207 -17.172 -8.818 1.00 0.00 C ATOM 845 CG TYR B 2 7.403 -18.302 -8.188 1.00 0.00 C ATOM 846 CD1 TYR B 2 8.013 -19.540 -7.902 1.00 0.00 C ATOM 847 CD2 TYR B 2 6.028 -18.124 -7.923 1.00 0.00 C ATOM 848 CE1 TYR B 2 7.257 -20.589 -7.340 1.00 0.00 C ATOM 849 CE2 TYR B 2 5.269 -19.173 -7.370 1.00 0.00 C ATOM 850 CZ TYR B 2 5.884 -20.410 -7.071 1.00 0.00 C ATOM 851 OH TYR B 2 5.163 -21.427 -6.525 1.00 0.00 O ATOM 0 H TYR B 2 10.266 -17.888 -7.720 1.00 0.00 H new ATOM 0 HA TYR B 2 9.354 -15.380 -8.400 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.525 -16.557 -9.405 1.00 0.00 H new ATOM 0 HB3 TYR B 2 8.921 -17.611 -9.515 1.00 0.00 H new ATOM 0 HD1 TYR B 2 9.062 -19.685 -8.114 1.00 0.00 H new ATOM 0 HD2 TYR B 2 5.556 -17.178 -8.146 1.00 0.00 H new ATOM 0 HE1 TYR B 2 7.731 -21.533 -7.115 1.00 0.00 H new ATOM 0 HE2 TYR B 2 4.216 -19.032 -7.174 1.00 0.00 H new ATOM 0 HH TYR B 2 4.234 -21.140 -6.402 1.00 0.00 H new ATOM 861 N LEU B 3 7.920 -16.428 -5.653 1.00 0.00 N ATOM 862 CA LEU B 3 7.123 -16.026 -4.487 1.00 0.00 C ATOM 863 C LEU B 3 7.688 -14.760 -3.833 1.00 0.00 C ATOM 864 O LEU B 3 6.951 -13.804 -3.595 1.00 0.00 O ATOM 865 CB LEU B 3 7.073 -17.173 -3.461 1.00 0.00 C ATOM 866 CG LEU B 3 6.341 -18.426 -3.968 1.00 0.00 C ATOM 867 CD1 LEU B 3 6.583 -19.592 -3.013 1.00 0.00 C ATOM 868 CD2 LEU B 3 4.830 -18.192 -4.088 1.00 0.00 C ATOM 0 H LEU B 3 8.383 -17.328 -5.529 1.00 0.00 H new ATOM 0 HA LEU B 3 6.113 -15.804 -4.831 1.00 0.00 H new ATOM 0 HB2 LEU B 3 8.091 -17.445 -3.184 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.581 -16.817 -2.556 1.00 0.00 H new ATOM 0 HG LEU B 3 6.736 -18.656 -4.957 1.00 0.00 H new ATOM 0 HD11 LEU B 3 6.061 -20.476 -3.379 1.00 0.00 H new ATOM 0 HD12 LEU B 3 7.652 -19.799 -2.955 1.00 0.00 H new ATOM 0 HD13 LEU B 3 6.209 -19.334 -2.022 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.349 -19.101 -4.449 1.00 0.00 H new ATOM 0 HD22 LEU B 3 4.424 -17.930 -3.111 1.00 0.00 H new ATOM 0 HD23 LEU B 3 4.642 -17.379 -4.789 1.00 0.00 H new ATOM 880 N ARG B 4 9.004 -14.714 -3.599 1.00 0.00 N ATOM 881 CA ARG B 4 9.688 -13.530 -3.045 1.00 0.00 C ATOM 882 C ARG B 4 9.533 -12.309 -3.957 1.00 0.00 C ATOM 883 O ARG B 4 9.290 -11.204 -3.476 1.00 0.00 O ATOM 884 CB ARG B 4 11.165 -13.872 -2.780 1.00 0.00 C ATOM 885 CG ARG B 4 11.820 -12.870 -1.819 1.00 0.00 C ATOM 886 CD ARG B 4 13.256 -13.299 -1.482 1.00 0.00 C ATOM 887 NE ARG B 4 13.795 -12.547 -0.329 1.00 0.00 N ATOM 888 CZ ARG B 4 13.592 -12.804 0.954 1.00 0.00 C ATOM 889 NH1 ARG B 4 12.847 -13.797 1.356 1.00 0.00 N ATOM 890 NH2 ARG B 4 14.138 -12.060 1.872 1.00 0.00 N ATOM 0 H ARG B 4 9.630 -15.497 -3.787 1.00 0.00 H new ATOM 0 HA ARG B 4 9.220 -13.260 -2.098 1.00 0.00 H new ATOM 0 HB2 ARG B 4 11.236 -14.876 -2.362 1.00 0.00 H new ATOM 0 HB3 ARG B 4 11.711 -13.880 -3.723 1.00 0.00 H new ATOM 0 HG2 ARG B 4 11.828 -11.878 -2.270 1.00 0.00 H new ATOM 0 HG3 ARG B 4 11.232 -12.799 -0.904 1.00 0.00 H new ATOM 0 HD2 ARG B 4 13.275 -14.366 -1.261 1.00 0.00 H new ATOM 0 HD3 ARG B 4 13.896 -13.142 -2.350 1.00 0.00 H new ATOM 0 HE ARG B 4 14.386 -11.744 -0.545 1.00 0.00 H new ATOM 0 HH11 ARG B 4 12.398 -14.407 0.673 1.00 0.00 H new ATOM 0 HH12 ARG B 4 12.714 -13.964 2.353 1.00 0.00 H new ATOM 0 HH21 ARG B 4 14.728 -11.272 1.605 1.00 0.00 H new ATOM 0 HH22 ARG B 4 13.976 -12.265 2.858 1.00 0.00 H new ATOM 904 N GLU B 5 9.606 -12.526 -5.271 1.00 0.00 N ATOM 905 CA GLU B 5 9.352 -11.498 -6.292 1.00 0.00 C ATOM 906 C GLU B 5 7.877 -11.036 -6.336 1.00 0.00 C ATOM 907 O GLU B 5 7.600 -9.877 -6.653 1.00 0.00 O ATOM 908 CB GLU B 5 9.850 -12.027 -7.647 1.00 0.00 C ATOM 909 CG GLU B 5 9.803 -10.981 -8.770 1.00 0.00 C ATOM 910 CD GLU B 5 10.709 -11.376 -9.958 1.00 0.00 C ATOM 911 OE1 GLU B 5 10.559 -12.487 -10.521 1.00 0.00 O ATOM 912 OE2 GLU B 5 11.592 -10.567 -10.339 1.00 0.00 O ATOM 0 H GLU B 5 9.847 -13.435 -5.666 1.00 0.00 H new ATOM 0 HA GLU B 5 9.906 -10.596 -6.031 1.00 0.00 H new ATOM 0 HB2 GLU B 5 10.875 -12.382 -7.535 1.00 0.00 H new ATOM 0 HB3 GLU B 5 9.245 -12.886 -7.937 1.00 0.00 H new ATOM 0 HG2 GLU B 5 8.776 -10.866 -9.118 1.00 0.00 H new ATOM 0 HG3 GLU B 5 10.117 -10.013 -8.379 1.00 0.00 H new ATOM 919 N LEU B 6 6.931 -11.907 -5.961 1.00 0.00 N ATOM 920 CA LEU B 6 5.503 -11.604 -5.818 1.00 0.00 C ATOM 921 C LEU B 6 5.204 -10.707 -4.606 1.00 0.00 C ATOM 922 O LEU B 6 4.627 -9.631 -4.770 1.00 0.00 O ATOM 923 CB LEU B 6 4.713 -12.934 -5.739 1.00 0.00 C ATOM 924 CG LEU B 6 3.726 -13.136 -6.893 1.00 0.00 C ATOM 925 CD1 LEU B 6 4.386 -13.138 -8.273 1.00 0.00 C ATOM 926 CD2 LEU B 6 3.023 -14.485 -6.734 1.00 0.00 C ATOM 0 H LEU B 6 7.149 -12.879 -5.741 1.00 0.00 H new ATOM 0 HA LEU B 6 5.186 -11.036 -6.693 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.419 -13.765 -5.727 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.167 -12.966 -4.796 1.00 0.00 H new ATOM 0 HG LEU B 6 3.036 -12.294 -6.843 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.626 -13.286 -9.040 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.887 -12.184 -8.438 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.116 -13.945 -8.326 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.321 -14.628 -7.555 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.763 -15.285 -6.746 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.483 -14.505 -5.787 1.00 0.00 H new ATOM 938 N LEU B 7 5.602 -11.127 -3.397 1.00 0.00 N ATOM 939 CA LEU B 7 5.375 -10.363 -2.160 1.00 0.00 C ATOM 940 C LEU B 7 6.016 -8.964 -2.203 1.00 0.00 C ATOM 941 O LEU B 7 5.360 -7.969 -1.881 1.00 0.00 O ATOM 942 CB LEU B 7 5.890 -11.117 -0.911 1.00 0.00 C ATOM 943 CG LEU B 7 4.962 -12.224 -0.369 1.00 0.00 C ATOM 944 CD1 LEU B 7 5.267 -13.581 -0.986 1.00 0.00 C ATOM 945 CD2 LEU B 7 5.121 -12.374 1.145 1.00 0.00 C ATOM 0 H LEU B 7 6.092 -12.009 -3.248 1.00 0.00 H new ATOM 0 HA LEU B 7 4.294 -10.246 -2.087 1.00 0.00 H new ATOM 0 HB2 LEU B 7 6.856 -11.563 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.062 -10.391 -0.116 1.00 0.00 H new ATOM 0 HG LEU B 7 3.948 -11.919 -0.630 1.00 0.00 H new ATOM 0 HD11 LEU B 7 4.589 -14.329 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU B 7 5.135 -13.527 -2.067 1.00 0.00 H new ATOM 0 HD13 LEU B 7 6.296 -13.861 -0.760 1.00 0.00 H new ATOM 0 HD21 LEU B 7 4.457 -13.160 1.504 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.153 -12.636 1.378 1.00 0.00 H new ATOM 0 HD23 LEU B 7 4.866 -11.433 1.633 1.00 0.00 H new ATOM 957 N LYS B 8 7.296 -8.884 -2.596 1.00 0.00 N ATOM 958 CA LYS B 8 8.077 -7.632 -2.640 1.00 0.00 C ATOM 959 C LYS B 8 7.692 -6.755 -3.841 1.00 0.00 C ATOM 960 O LYS B 8 8.334 -6.778 -4.894 1.00 0.00 O ATOM 961 CB LYS B 8 9.578 -7.949 -2.558 1.00 0.00 C ATOM 962 CG LYS B 8 10.426 -6.676 -2.374 1.00 0.00 C ATOM 963 CD LYS B 8 11.855 -6.957 -1.888 1.00 0.00 C ATOM 964 CE LYS B 8 12.657 -7.831 -2.861 1.00 0.00 C ATOM 965 NZ LYS B 8 14.062 -7.998 -2.403 1.00 0.00 N ATOM 0 H LYS B 8 7.829 -9.699 -2.898 1.00 0.00 H new ATOM 0 HA LYS B 8 7.830 -7.028 -1.767 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.760 -8.630 -1.726 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.890 -8.465 -3.466 1.00 0.00 H new ATOM 0 HG2 LYS B 8 10.472 -6.139 -3.322 1.00 0.00 H new ATOM 0 HG3 LYS B 8 9.930 -6.019 -1.659 1.00 0.00 H new ATOM 0 HD2 LYS B 8 12.377 -6.011 -1.743 1.00 0.00 H new ATOM 0 HD3 LYS B 8 11.812 -7.449 -0.916 1.00 0.00 H new ATOM 0 HE2 LYS B 8 12.183 -8.808 -2.951 1.00 0.00 H new ATOM 0 HE3 LYS B 8 12.647 -7.379 -3.853 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 14.580 -8.593 -3.081 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 14.520 -7.066 -2.341 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 14.070 -8.451 -1.467 1.00 0.00 H new ATOM 979 N GLY B 9 6.609 -6.000 -3.673 1.00 0.00 N ATOM 980 CA GLY B 9 6.019 -5.118 -4.670 1.00 0.00 C ATOM 981 C GLY B 9 4.540 -4.819 -4.459 1.00 0.00 C ATOM 982 O GLY B 9 4.094 -3.692 -4.656 1.00 0.00 O ATOM 0 H GLY B 9 6.095 -5.988 -2.792 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.569 -4.177 -4.674 1.00 0.00 H new ATOM 0 HA3 GLY B 9 6.148 -5.567 -5.655 1.00 0.00 H new ATOM 986 N GLU B 10 3.791 -5.797 -3.955 1.00 0.00 N ATOM 987 CA GLU B 10 2.398 -5.620 -3.518 1.00 0.00 C ATOM 988 C GLU B 10 2.290 -4.562 -2.404 1.00 0.00 C ATOM 989 O GLU B 10 1.406 -3.706 -2.427 1.00 0.00 O ATOM 990 CB GLU B 10 1.868 -6.974 -3.013 1.00 0.00 C ATOM 991 CG GLU B 10 1.690 -8.060 -4.087 1.00 0.00 C ATOM 992 CD GLU B 10 0.360 -7.912 -4.816 1.00 0.00 C ATOM 993 OE1 GLU B 10 0.045 -6.978 -5.576 1.00 0.00 O ATOM 994 OE2 GLU B 10 -0.682 -8.566 -4.605 1.00 0.00 O ATOM 0 H GLU B 10 4.134 -6.750 -3.835 1.00 0.00 H new ATOM 0 HA GLU B 10 1.802 -5.270 -4.361 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.551 -7.350 -2.251 1.00 0.00 H new ATOM 0 HB3 GLU B 10 0.907 -6.809 -2.526 1.00 0.00 H new ATOM 0 HG2 GLU B 10 2.508 -8.001 -4.805 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.744 -9.045 -3.623 1.00 0.00 H new ATOM 1001 N LEU B 11 3.248 -4.555 -1.470 1.00 0.00 N ATOM 1002 CA LEU B 11 3.369 -3.620 -0.353 1.00 0.00 C ATOM 1003 C LEU B 11 3.689 -2.199 -0.852 1.00 0.00 C ATOM 1004 O LEU B 11 3.166 -1.207 -0.339 1.00 0.00 O ATOM 1005 CB LEU B 11 4.429 -4.258 0.582 1.00 0.00 C ATOM 1006 CG LEU B 11 5.339 -3.302 1.356 1.00 0.00 C ATOM 1007 CD1 LEU B 11 4.600 -2.530 2.450 1.00 0.00 C ATOM 1008 CD2 LEU B 11 6.480 -4.082 2.013 1.00 0.00 C ATOM 0 H LEU B 11 4.001 -5.243 -1.477 1.00 0.00 H new ATOM 0 HA LEU B 11 2.443 -3.473 0.203 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.909 -4.889 1.303 1.00 0.00 H new ATOM 0 HB3 LEU B 11 5.059 -4.914 -0.019 1.00 0.00 H new ATOM 0 HG LEU B 11 5.718 -2.584 0.628 1.00 0.00 H new ATOM 0 HD11 LEU B 11 5.298 -1.869 2.964 1.00 0.00 H new ATOM 0 HD12 LEU B 11 3.802 -1.938 2.002 1.00 0.00 H new ATOM 0 HD13 LEU B 11 4.172 -3.232 3.165 1.00 0.00 H new ATOM 0 HD21 LEU B 11 7.123 -3.394 2.562 1.00 0.00 H new ATOM 0 HD22 LEU B 11 6.067 -4.820 2.701 1.00 0.00 H new ATOM 0 HD23 LEU B 11 7.064 -4.589 1.245 1.00 0.00 H new ATOM 1020 N GLN B 12 4.476 -2.121 -1.924 1.00 0.00 N ATOM 1021 CA GLN B 12 4.802 -0.900 -2.654 1.00 0.00 C ATOM 1022 C GLN B 12 3.557 -0.261 -3.297 1.00 0.00 C ATOM 1023 O GLN B 12 3.534 0.949 -3.515 1.00 0.00 O ATOM 1024 CB GLN B 12 5.885 -1.205 -3.712 1.00 0.00 C ATOM 1025 CG GLN B 12 6.982 -0.134 -3.788 1.00 0.00 C ATOM 1026 CD GLN B 12 7.948 -0.218 -2.605 1.00 0.00 C ATOM 1027 OE1 GLN B 12 7.793 0.444 -1.587 1.00 0.00 O ATOM 1028 NE2 GLN B 12 8.972 -1.044 -2.681 1.00 0.00 N ATOM 0 H GLN B 12 4.923 -2.946 -2.324 1.00 0.00 H new ATOM 0 HA GLN B 12 5.192 -0.170 -1.944 1.00 0.00 H new ATOM 0 HB2 GLN B 12 6.343 -2.168 -3.485 1.00 0.00 H new ATOM 0 HB3 GLN B 12 5.411 -1.299 -4.689 1.00 0.00 H new ATOM 0 HG2 GLN B 12 7.538 -0.250 -4.719 1.00 0.00 H new ATOM 0 HG3 GLN B 12 6.523 0.854 -3.812 1.00 0.00 H new ATOM 0 HE21 GLN B 12 9.115 -1.603 -3.522 1.00 0.00 H new ATOM 0 HE22 GLN B 12 9.621 -1.125 -1.899 1.00 0.00 H new ATOM 1037 N GLY B 13 2.505 -1.052 -3.549 1.00 0.00 N ATOM 1038 CA GLY B 13 1.201 -0.578 -4.012 1.00 0.00 C ATOM 1039 C GLY B 13 0.288 -0.187 -2.850 1.00 0.00 C ATOM 1040 O GLY B 13 -0.279 0.905 -2.875 1.00 0.00 O ATOM 0 H GLY B 13 2.542 -2.065 -3.432 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.340 0.281 -4.669 1.00 0.00 H new ATOM 0 HA3 GLY B 13 0.721 -1.358 -4.604 1.00 0.00 H new ATOM 1044 N ILE B 14 0.208 -1.013 -1.793 1.00 0.00 N ATOM 1045 CA ILE B 14 -0.647 -0.758 -0.610 1.00 0.00 C ATOM 1046 C ILE B 14 -0.398 0.647 -0.038 1.00 0.00 C ATOM 1047 O ILE B 14 -1.343 1.415 0.163 1.00 0.00 O ATOM 1048 CB ILE B 14 -0.432 -1.837 0.483 1.00 0.00 C ATOM 1049 CG1 ILE B 14 -0.946 -3.214 0.015 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -1.137 -1.475 1.807 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -0.489 -4.392 0.887 1.00 0.00 C ATOM 0 H ILE B 14 0.736 -1.883 -1.730 1.00 0.00 H new ATOM 0 HA ILE B 14 -1.685 -0.813 -0.939 1.00 0.00 H new ATOM 0 HB ILE B 14 0.643 -1.881 0.657 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -2.036 -3.194 -0.005 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.612 -3.384 -1.008 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -0.958 -2.260 2.541 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -0.743 -0.530 2.182 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.209 -1.378 1.634 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -0.896 -5.321 0.486 1.00 0.00 H new ATOM 0 HD12 ILE B 14 0.600 -4.443 0.888 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -0.846 -4.250 1.907 1.00 0.00 H new ATOM 1063 N LYS B 15 0.876 1.003 0.188 1.00 0.00 N ATOM 1064 CA LYS B 15 1.252 2.288 0.795 1.00 0.00 C ATOM 1065 C LYS B 15 0.934 3.486 -0.107 1.00 0.00 C ATOM 1066 O LYS B 15 0.407 4.503 0.346 1.00 0.00 O ATOM 1067 CB LYS B 15 2.744 2.258 1.183 1.00 0.00 C ATOM 1068 CG LYS B 15 3.089 3.410 2.142 1.00 0.00 C ATOM 1069 CD LYS B 15 4.602 3.551 2.353 1.00 0.00 C ATOM 1070 CE LYS B 15 4.868 4.703 3.330 1.00 0.00 C ATOM 1071 NZ LYS B 15 6.317 5.027 3.422 1.00 0.00 N ATOM 0 H LYS B 15 1.672 0.409 -0.044 1.00 0.00 H new ATOM 0 HA LYS B 15 0.648 2.422 1.692 1.00 0.00 H new ATOM 0 HB2 LYS B 15 2.981 1.304 1.655 1.00 0.00 H new ATOM 0 HB3 LYS B 15 3.358 2.331 0.285 1.00 0.00 H new ATOM 0 HG2 LYS B 15 2.690 4.343 1.745 1.00 0.00 H new ATOM 0 HG3 LYS B 15 2.604 3.239 3.103 1.00 0.00 H new ATOM 0 HD2 LYS B 15 5.015 2.622 2.746 1.00 0.00 H new ATOM 0 HD3 LYS B 15 5.098 3.743 1.402 1.00 0.00 H new ATOM 0 HE2 LYS B 15 4.318 5.587 3.008 1.00 0.00 H new ATOM 0 HE3 LYS B 15 4.492 4.436 4.318 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 6.456 5.810 4.092 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 6.839 4.191 3.754 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 6.670 5.306 2.485 1.00 0.00 H new ATOM 1085 N GLN B 16 1.231 3.350 -1.397 1.00 0.00 N ATOM 1086 CA GLN B 16 1.093 4.399 -2.402 1.00 0.00 C ATOM 1087 C GLN B 16 -0.366 4.697 -2.741 1.00 0.00 C ATOM 1088 O GLN B 16 -0.727 5.858 -2.935 1.00 0.00 O ATOM 1089 CB GLN B 16 1.867 3.978 -3.657 1.00 0.00 C ATOM 1090 CG GLN B 16 3.372 4.296 -3.579 1.00 0.00 C ATOM 1091 CD GLN B 16 3.731 5.560 -4.362 1.00 0.00 C ATOM 1092 OE1 GLN B 16 4.057 5.516 -5.540 1.00 0.00 O ATOM 1093 NE2 GLN B 16 3.681 6.730 -3.760 1.00 0.00 N ATOM 0 H GLN B 16 1.587 2.476 -1.784 1.00 0.00 H new ATOM 0 HA GLN B 16 1.505 5.323 -1.995 1.00 0.00 H new ATOM 0 HB2 GLN B 16 1.736 2.907 -3.814 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.441 4.482 -4.525 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.663 4.421 -2.536 1.00 0.00 H new ATOM 0 HG3 GLN B 16 3.942 3.453 -3.970 1.00 0.00 H new ATOM 0 HE21 GLN B 16 3.411 6.787 -2.778 1.00 0.00 H new ATOM 0 HE22 GLN B 16 3.912 7.579 -4.276 1.00 0.00 H new ATOM 1102 N TYR B 17 -1.227 3.679 -2.732 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.663 3.880 -2.886 1.00 0.00 C ATOM 1104 C TYR B 17 -3.262 4.710 -1.749 1.00 0.00 C ATOM 1105 O TYR B 17 -4.141 5.539 -1.996 1.00 0.00 O ATOM 1106 CB TYR B 17 -3.357 2.525 -2.937 1.00 0.00 C ATOM 1107 CG TYR B 17 -3.311 1.803 -4.268 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -3.591 2.450 -5.490 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -3.026 0.430 -4.255 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -3.471 1.730 -6.693 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -2.878 -0.289 -5.454 1.00 0.00 C ATOM 1112 CZ TYR B 17 -3.099 0.367 -6.682 1.00 0.00 C ATOM 1113 OH TYR B 17 -3.108 -0.344 -7.839 1.00 0.00 O ATOM 0 H TYR B 17 -0.950 2.704 -2.619 1.00 0.00 H new ATOM 0 HA TYR B 17 -2.820 4.431 -3.813 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -2.908 1.881 -2.181 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -4.401 2.664 -2.658 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -3.894 3.487 -5.502 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.919 -0.082 -3.310 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -3.665 2.224 -7.634 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.598 -1.332 -5.434 1.00 0.00 H new ATOM 0 HH TYR B 17 -3.048 -1.301 -7.635 1.00 0.00 H new ATOM 1123 N ARG B 18 -2.779 4.536 -0.508 1.00 0.00 N ATOM 1124 CA ARG B 18 -3.315 5.316 0.619 1.00 0.00 C ATOM 1125 C ARG B 18 -3.010 6.811 0.483 1.00 0.00 C ATOM 1126 O ARG B 18 -3.867 7.644 0.763 1.00 0.00 O ATOM 1127 CB ARG B 18 -2.844 4.762 1.975 1.00 0.00 C ATOM 1128 CG ARG B 18 -4.037 4.293 2.831 1.00 0.00 C ATOM 1129 CD ARG B 18 -3.739 4.347 4.333 1.00 0.00 C ATOM 1130 NE ARG B 18 -3.703 5.744 4.816 1.00 0.00 N ATOM 1131 CZ ARG B 18 -3.507 6.155 6.056 1.00 0.00 C ATOM 1132 NH1 ARG B 18 -3.298 5.323 7.036 1.00 0.00 N ATOM 1133 NH2 ARG B 18 -3.520 7.427 6.333 1.00 0.00 N ATOM 0 H ARG B 18 -2.038 3.880 -0.263 1.00 0.00 H new ATOM 0 HA ARG B 18 -4.399 5.209 0.586 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -2.160 3.929 1.813 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.288 5.531 2.512 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -4.904 4.917 2.613 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -4.301 3.273 2.553 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -4.500 3.789 4.879 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -2.783 3.864 4.535 1.00 0.00 H new ATOM 0 HE ARG B 18 -3.845 6.471 4.114 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -3.282 4.319 6.858 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -3.150 5.676 7.982 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -3.682 8.109 5.592 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -3.368 7.742 7.291 1.00 0.00 H new ATOM 1147 N GLU B 19 -1.817 7.145 -0.010 1.00 0.00 N ATOM 1148 CA GLU B 19 -1.411 8.517 -0.355 1.00 0.00 C ATOM 1149 C GLU B 19 -2.232 9.097 -1.524 1.00 0.00 C ATOM 1150 O GLU B 19 -2.572 10.280 -1.543 1.00 0.00 O ATOM 1151 CB GLU B 19 0.082 8.492 -0.723 1.00 0.00 C ATOM 1152 CG GLU B 19 0.733 9.879 -0.670 1.00 0.00 C ATOM 1153 CD GLU B 19 2.236 9.788 -0.995 1.00 0.00 C ATOM 1154 OE1 GLU B 19 3.046 9.525 -0.072 1.00 0.00 O ATOM 1155 OE2 GLU B 19 2.623 9.981 -2.174 1.00 0.00 O ATOM 0 H GLU B 19 -1.086 6.456 -0.186 1.00 0.00 H new ATOM 0 HA GLU B 19 -1.594 9.162 0.505 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.608 7.823 -0.042 1.00 0.00 H new ATOM 0 HB3 GLU B 19 0.197 8.080 -1.726 1.00 0.00 H new ATOM 0 HG2 GLU B 19 0.242 10.544 -1.380 1.00 0.00 H new ATOM 0 HG3 GLU B 19 0.596 10.313 0.320 1.00 0.00 H new ATOM 1162 N ALA B 20 -2.565 8.253 -2.501 1.00 0.00 N ATOM 1163 CA ALA B 20 -3.261 8.613 -3.726 1.00 0.00 C ATOM 1164 C ALA B 20 -4.745 8.946 -3.532 1.00 0.00 C ATOM 1165 O ALA B 20 -5.230 9.886 -4.159 1.00 0.00 O ATOM 1166 CB ALA B 20 -3.020 7.518 -4.769 1.00 0.00 C ATOM 0 H ALA B 20 -2.345 7.258 -2.453 1.00 0.00 H new ATOM 0 HA ALA B 20 -2.843 9.552 -4.089 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.537 7.776 -5.693 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -1.951 7.430 -4.964 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -3.400 6.568 -4.394 1.00 0.00 H new ATOM 1172 N LEU B 21 -5.459 8.263 -2.629 1.00 0.00 N ATOM 1173 CA LEU B 21 -6.858 8.589 -2.314 1.00 0.00 C ATOM 1174 C LEU B 21 -7.014 10.029 -1.819 1.00 0.00 C ATOM 1175 O LEU B 21 -8.044 10.644 -2.069 1.00 0.00 O ATOM 1176 CB LEU B 21 -7.429 7.577 -1.309 1.00 0.00 C ATOM 1177 CG LEU B 21 -8.925 7.765 -0.978 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -9.589 6.411 -0.755 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -9.147 8.564 0.309 1.00 0.00 C ATOM 0 H LEU B 21 -5.088 7.474 -2.099 1.00 0.00 H new ATOM 0 HA LEU B 21 -7.435 8.516 -3.236 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -7.283 6.572 -1.704 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -6.856 7.642 -0.384 1.00 0.00 H new ATOM 0 HG LEU B 21 -9.352 8.301 -1.826 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -10.644 6.557 -0.522 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -9.497 5.807 -1.658 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -9.102 5.899 0.075 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -10.216 8.666 0.494 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -8.682 8.043 1.146 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -8.701 9.553 0.205 1.00 0.00 H new ATOM 1191 N GLU B 22 -5.998 10.612 -1.184 1.00 0.00 N ATOM 1192 CA GLU B 22 -6.099 12.007 -0.728 1.00 0.00 C ATOM 1193 C GLU B 22 -6.264 13.018 -1.883 1.00 0.00 C ATOM 1194 O GLU B 22 -6.883 14.068 -1.697 1.00 0.00 O ATOM 1195 CB GLU B 22 -4.877 12.385 0.122 1.00 0.00 C ATOM 1196 CG GLU B 22 -5.174 12.458 1.627 1.00 0.00 C ATOM 1197 CD GLU B 22 -5.440 11.081 2.265 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -6.619 10.650 2.289 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -4.488 10.464 2.800 1.00 0.00 O ATOM 0 H GLU B 22 -5.110 10.155 -0.974 1.00 0.00 H new ATOM 0 HA GLU B 22 -7.005 12.064 -0.124 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -4.086 11.655 -0.049 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -4.497 13.350 -0.212 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -4.331 12.928 2.134 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -6.041 13.099 1.788 1.00 0.00 H new ATOM 1206 N TYR B 23 -5.756 12.703 -3.080 1.00 0.00 N ATOM 1207 CA TYR B 23 -5.920 13.526 -4.287 1.00 0.00 C ATOM 1208 C TYR B 23 -7.306 13.405 -4.949 1.00 0.00 C ATOM 1209 O TYR B 23 -7.655 14.242 -5.786 1.00 0.00 O ATOM 1210 CB TYR B 23 -4.821 13.170 -5.302 1.00 0.00 C ATOM 1211 CG TYR B 23 -3.535 13.945 -5.095 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -2.653 13.601 -4.051 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -3.239 15.034 -5.938 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -1.476 14.350 -3.851 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -2.062 15.781 -5.744 1.00 0.00 C ATOM 1216 CZ TYR B 23 -1.178 15.442 -4.696 1.00 0.00 C ATOM 1217 OH TYR B 23 -0.041 16.164 -4.496 1.00 0.00 O ATOM 0 H TYR B 23 -5.211 11.856 -3.241 1.00 0.00 H new ATOM 0 HA TYR B 23 -5.832 14.564 -3.966 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -4.608 12.103 -5.236 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -5.192 13.359 -6.309 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -2.879 12.765 -3.405 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -3.918 15.297 -6.736 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -0.800 14.088 -3.050 1.00 0.00 H new ATOM 0 HE2 TYR B 23 -1.835 16.612 -6.395 1.00 0.00 H new ATOM 0 HH TYR B 23 0.014 16.879 -5.164 1.00 0.00 H new ATOM 1227 N THR B 24 -8.100 12.384 -4.604 1.00 0.00 N ATOM 1228 CA THR B 24 -9.273 11.959 -5.401 1.00 0.00 C ATOM 1229 C THR B 24 -10.538 11.726 -4.565 1.00 0.00 C ATOM 1230 O THR B 24 -11.646 11.704 -5.101 1.00 0.00 O ATOM 1231 CB THR B 24 -8.946 10.665 -6.177 1.00 0.00 C ATOM 1232 OG1 THR B 24 -9.045 9.555 -5.308 1.00 0.00 O ATOM 1233 CG2 THR B 24 -7.534 10.635 -6.779 1.00 0.00 C ATOM 0 H THR B 24 -7.953 11.824 -3.764 1.00 0.00 H new ATOM 0 HA THR B 24 -9.484 12.784 -6.082 1.00 0.00 H new ATOM 0 HB THR B 24 -9.665 10.628 -6.995 1.00 0.00 H new ATOM 0 HG1 THR B 24 -8.998 8.726 -5.829 1.00 0.00 H new ATOM 0 HG21 THR B 24 -7.384 9.693 -7.307 1.00 0.00 H new ATOM 0 HG22 THR B 24 -7.418 11.465 -7.476 1.00 0.00 H new ATOM 0 HG23 THR B 24 -6.796 10.725 -5.982 1.00 0.00 H new ATOM 1241 N HIS B 25 -10.355 11.510 -3.259 1.00 0.00 N ATOM 1242 CA HIS B 25 -11.263 10.949 -2.250 1.00 0.00 C ATOM 1243 C HIS B 25 -12.218 9.821 -2.720 1.00 0.00 C ATOM 1244 O HIS B 25 -13.291 9.629 -2.142 1.00 0.00 O ATOM 1245 CB HIS B 25 -11.925 12.075 -1.441 1.00 0.00 C ATOM 1246 CG HIS B 25 -10.919 12.684 -0.498 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -10.229 13.863 -0.691 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -10.377 12.062 0.597 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -9.287 13.949 0.267 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -9.372 12.875 1.077 1.00 0.00 N ATOM 0 H HIS B 25 -9.461 11.753 -2.832 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.632 10.379 -1.568 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -12.315 12.838 -2.114 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -12.773 11.682 -0.879 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -10.681 11.111 1.008 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -8.574 14.754 0.370 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -8.795 12.696 1.899 1.00 0.00 H new ATOM 1259 N ASN B 26 -11.871 9.083 -3.781 1.00 0.00 N ATOM 1260 CA ASN B 26 -12.758 8.094 -4.412 1.00 0.00 C ATOM 1261 C ASN B 26 -12.862 6.779 -3.603 1.00 0.00 C ATOM 1262 O ASN B 26 -11.847 6.309 -3.081 1.00 0.00 O ATOM 1263 CB ASN B 26 -12.250 7.807 -5.842 1.00 0.00 C ATOM 1264 CG ASN B 26 -13.015 8.579 -6.901 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -13.781 8.016 -7.669 1.00 0.00 O ATOM 1266 ND2 ASN B 26 -12.842 9.875 -6.980 1.00 0.00 N ATOM 0 H ASN B 26 -10.959 9.155 -4.231 1.00 0.00 H new ATOM 0 HA ASN B 26 -13.763 8.516 -4.442 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -11.192 8.062 -5.905 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -12.333 6.739 -6.045 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -13.347 10.415 -7.683 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -12.203 10.344 -6.339 1.00 0.00 H new ATOM 1273 N PRO B 27 -14.026 6.092 -3.604 1.00 0.00 N ATOM 1274 CA PRO B 27 -14.150 4.732 -3.063 1.00 0.00 C ATOM 1275 C PRO B 27 -13.392 3.701 -3.915 1.00 0.00 C ATOM 1276 O PRO B 27 -13.054 2.616 -3.445 1.00 0.00 O ATOM 1277 CB PRO B 27 -15.655 4.441 -3.048 1.00 0.00 C ATOM 1278 CG PRO B 27 -16.185 5.266 -4.218 1.00 0.00 C ATOM 1279 CD PRO B 27 -15.291 6.507 -4.207 1.00 0.00 C ATOM 0 HA PRO B 27 -13.709 4.661 -2.069 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -15.860 3.379 -3.179 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -16.113 4.740 -2.105 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -16.108 4.723 -5.160 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -17.235 5.526 -4.084 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -15.135 6.884 -5.218 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.750 7.312 -3.634 1.00 0.00 H new ATOM 1287 N VAL B 28 -13.081 4.045 -5.169 1.00 0.00 N ATOM 1288 CA VAL B 28 -12.309 3.205 -6.088 1.00 0.00 C ATOM 1289 C VAL B 28 -10.829 3.186 -5.702 1.00 0.00 C ATOM 1290 O VAL B 28 -10.281 2.101 -5.516 1.00 0.00 O ATOM 1291 CB VAL B 28 -12.528 3.661 -7.535 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -11.975 2.617 -8.489 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -14.010 3.861 -7.895 1.00 0.00 C ATOM 0 H VAL B 28 -13.365 4.934 -5.581 1.00 0.00 H new ATOM 0 HA VAL B 28 -12.665 2.178 -6.011 1.00 0.00 H new ATOM 0 HB VAL B 28 -12.016 4.619 -7.627 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -12.132 2.944 -9.517 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.908 2.488 -8.308 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -12.488 1.669 -8.327 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -14.092 4.184 -8.933 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -14.546 2.921 -7.764 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -14.443 4.620 -7.244 1.00 0.00 H new ATOM 1303 N LEU B 29 -10.200 4.347 -5.451 1.00 0.00 N ATOM 1304 CA LEU B 29 -8.864 4.409 -4.851 1.00 0.00 C ATOM 1305 C LEU B 29 -8.779 3.687 -3.472 1.00 0.00 C ATOM 1306 O LEU B 29 -7.686 3.311 -3.055 1.00 0.00 O ATOM 1307 CB LEU B 29 -8.278 5.863 -4.903 1.00 0.00 C ATOM 1308 CG LEU B 29 -6.980 5.860 -5.714 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -6.635 7.256 -6.225 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -5.806 5.321 -4.921 1.00 0.00 C ATOM 0 H LEU B 29 -10.603 5.261 -5.658 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.188 3.819 -5.470 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -9.001 6.542 -5.355 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -8.088 6.226 -3.893 1.00 0.00 H new ATOM 0 HG LEU B 29 -7.160 5.198 -6.561 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -5.708 7.215 -6.796 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -7.440 7.618 -6.865 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -6.511 7.933 -5.379 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -4.909 5.340 -5.540 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -5.649 5.939 -4.037 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -6.014 4.296 -4.614 1.00 0.00 H new ATOM 1322 N ALA B 30 -9.911 3.389 -2.805 1.00 0.00 N ATOM 1323 CA ALA B 30 -9.974 2.533 -1.609 1.00 0.00 C ATOM 1324 C ALA B 30 -10.110 1.020 -1.902 1.00 0.00 C ATOM 1325 O ALA B 30 -9.294 0.252 -1.399 1.00 0.00 O ATOM 1326 CB ALA B 30 -11.109 3.010 -0.692 1.00 0.00 C ATOM 0 H ALA B 30 -10.824 3.744 -3.090 1.00 0.00 H new ATOM 0 HA ALA B 30 -9.010 2.638 -1.112 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -11.153 2.375 0.193 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -10.924 4.041 -0.390 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -12.057 2.954 -1.227 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.080 0.556 -2.713 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.281 -0.888 -3.024 1.00 0.00 C ATOM 1334 C LYS B 31 -10.021 -1.595 -3.522 1.00 0.00 C ATOM 1335 O LYS B 31 -9.769 -2.747 -3.179 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.388 -1.071 -4.079 1.00 0.00 C ATOM 1337 CG LYS B 31 -13.796 -1.134 -3.478 1.00 0.00 C ATOM 1338 CD LYS B 31 -14.819 -1.474 -4.578 1.00 0.00 C ATOM 1339 CE LYS B 31 -16.234 -1.706 -4.029 1.00 0.00 C ATOM 1340 NZ LYS B 31 -16.345 -2.979 -3.266 1.00 0.00 N ATOM 0 H LYS B 31 -11.753 1.167 -3.176 1.00 0.00 H new ATOM 0 HA LYS B 31 -11.565 -1.345 -2.076 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -12.341 -0.247 -4.791 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -12.198 -1.987 -4.639 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -13.832 -1.887 -2.690 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -14.048 -0.179 -3.017 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -14.846 -0.662 -5.305 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -14.490 -2.367 -5.109 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -16.511 -0.873 -3.383 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -16.944 -1.718 -4.856 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -17.318 -3.090 -2.916 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -16.107 -3.778 -3.888 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -15.688 -2.959 -2.460 1.00 0.00 H new ATOM 1354 N ILE B 32 -9.221 -0.876 -4.296 1.00 0.00 N ATOM 1355 CA ILE B 32 -7.954 -1.349 -4.856 1.00 0.00 C ATOM 1356 C ILE B 32 -6.988 -1.740 -3.731 1.00 0.00 C ATOM 1357 O ILE B 32 -6.623 -2.911 -3.626 1.00 0.00 O ATOM 1358 CB ILE B 32 -7.410 -0.259 -5.796 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -8.343 0.014 -6.997 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -6.058 -0.674 -6.351 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -7.951 1.287 -7.753 1.00 0.00 C ATOM 0 H ILE B 32 -9.439 0.084 -4.563 1.00 0.00 H new ATOM 0 HA ILE B 32 -8.092 -2.255 -5.446 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.334 0.648 -5.197 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -8.313 -0.836 -7.679 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.370 0.104 -6.644 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.683 0.105 -7.015 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.357 -0.820 -5.529 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -6.163 -1.605 -6.907 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -8.634 1.439 -8.589 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.006 2.142 -7.079 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -6.933 1.187 -8.130 1.00 0.00 H new ATOM 1373 N LEU B 33 -6.631 -0.805 -2.842 1.00 0.00 N ATOM 1374 CA LEU B 33 -5.757 -1.110 -1.701 1.00 0.00 C ATOM 1375 C LEU B 33 -6.410 -2.038 -0.680 1.00 0.00 C ATOM 1376 O LEU B 33 -5.715 -2.817 -0.028 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.199 0.178 -1.080 1.00 0.00 C ATOM 1378 CG LEU B 33 -6.063 0.910 -0.037 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -5.795 0.435 1.395 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -5.776 2.411 -0.058 1.00 0.00 C ATOM 0 H LEU B 33 -6.933 0.168 -2.890 1.00 0.00 H new ATOM 0 HA LEU B 33 -4.907 -1.676 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.244 -0.063 -0.613 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.990 0.876 -1.890 1.00 0.00 H new ATOM 0 HG LEU B 33 -7.095 0.690 -0.309 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -6.432 0.986 2.086 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -6.012 -0.630 1.472 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -4.749 0.611 1.647 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.396 2.911 0.686 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -4.724 2.584 0.171 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -6.002 2.811 -1.046 1.00 0.00 H new ATOM 1392 N GLU B 34 -7.739 -1.986 -0.570 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.484 -2.902 0.287 1.00 0.00 C ATOM 1394 C GLU B 34 -8.267 -4.359 -0.145 1.00 0.00 C ATOM 1395 O GLU B 34 -8.080 -5.220 0.714 1.00 0.00 O ATOM 1396 CB GLU B 34 -9.973 -2.525 0.338 1.00 0.00 C ATOM 1397 CG GLU B 34 -10.751 -3.377 1.351 1.00 0.00 C ATOM 1398 CD GLU B 34 -12.192 -2.860 1.521 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -13.055 -3.155 0.657 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -12.478 -2.169 2.528 1.00 0.00 O ATOM 0 H GLU B 34 -8.322 -1.314 -1.068 1.00 0.00 H new ATOM 0 HA GLU B 34 -8.099 -2.810 1.303 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -10.071 -1.472 0.600 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.412 -2.649 -0.652 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -10.771 -4.415 1.019 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -10.240 -3.360 2.313 1.00 0.00 H new ATOM 1407 N ASP B 35 -8.206 -4.644 -1.453 1.00 0.00 N ATOM 1408 CA ASP B 35 -7.885 -5.989 -1.930 1.00 0.00 C ATOM 1409 C ASP B 35 -6.415 -6.376 -1.754 1.00 0.00 C ATOM 1410 O ASP B 35 -6.133 -7.477 -1.273 1.00 0.00 O ATOM 1411 CB ASP B 35 -8.224 -6.136 -3.408 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.681 -5.897 -3.815 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.611 -6.181 -3.020 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -9.873 -5.485 -4.984 1.00 0.00 O ATOM 0 H ASP B 35 -8.374 -3.963 -2.193 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.490 -6.654 -1.313 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.598 -5.443 -3.970 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -7.946 -7.142 -3.721 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.469 -5.489 -2.088 1.00 0.00 N ATOM 1420 CA GLU B 36 -4.038 -5.753 -1.882 1.00 0.00 C ATOM 1421 C GLU B 36 -3.700 -6.113 -0.424 1.00 0.00 C ATOM 1422 O GLU B 36 -2.728 -6.830 -0.179 1.00 0.00 O ATOM 1423 CB GLU B 36 -3.207 -4.528 -2.282 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.357 -4.022 -3.718 1.00 0.00 C ATOM 1425 CD GLU B 36 -2.876 -4.970 -4.811 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -2.347 -6.090 -4.563 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -3.031 -4.654 -6.006 1.00 0.00 O ATOM 0 H GLU B 36 -5.669 -4.579 -2.503 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.794 -6.610 -2.510 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.463 -3.711 -1.607 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -2.156 -4.763 -2.114 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.409 -3.797 -3.896 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -2.810 -3.084 -3.811 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.519 -5.675 0.538 1.00 0.00 N ATOM 1435 CA GLU B 37 -4.336 -5.994 1.960 1.00 0.00 C ATOM 1436 C GLU B 37 -4.511 -7.500 2.230 1.00 0.00 C ATOM 1437 O GLU B 37 -3.826 -8.065 3.087 1.00 0.00 O ATOM 1438 CB GLU B 37 -5.317 -5.174 2.814 1.00 0.00 C ATOM 1439 CG GLU B 37 -4.874 -5.092 4.281 1.00 0.00 C ATOM 1440 CD GLU B 37 -5.947 -4.415 5.156 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -6.005 -3.163 5.199 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -6.729 -5.134 5.826 1.00 0.00 O ATOM 0 H GLU B 37 -5.331 -5.087 0.353 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.315 -5.729 2.236 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -5.401 -4.168 2.404 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -6.308 -5.624 2.759 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -4.674 -6.095 4.659 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -3.941 -4.533 4.350 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.388 -8.164 1.461 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.532 -9.625 1.470 1.00 0.00 C ATOM 1451 C LYS B 38 -4.490 -10.302 0.598 1.00 0.00 C ATOM 1452 O LYS B 38 -3.911 -11.283 1.043 1.00 0.00 O ATOM 1453 CB LYS B 38 -6.915 -10.086 0.986 1.00 0.00 C ATOM 1454 CG LYS B 38 -8.084 -9.619 1.858 1.00 0.00 C ATOM 1455 CD LYS B 38 -8.765 -8.363 1.305 1.00 0.00 C ATOM 1456 CE LYS B 38 -9.803 -8.685 0.221 1.00 0.00 C ATOM 1457 NZ LYS B 38 -11.110 -9.080 0.813 1.00 0.00 N ATOM 0 H LYS B 38 -6.021 -7.697 0.811 1.00 0.00 H new ATOM 0 HA LYS B 38 -5.397 -9.915 2.512 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -7.069 -9.723 -0.030 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -6.925 -11.175 0.941 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -8.818 -10.421 1.936 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -7.723 -9.418 2.867 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -9.251 -7.828 2.121 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -8.009 -7.696 0.892 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -9.942 -7.815 -0.420 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -9.431 -9.491 -0.412 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -11.787 -9.290 0.052 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -10.982 -9.925 1.405 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -11.476 -8.301 1.396 1.00 0.00 H new ATOM 1471 N HIS B 39 -4.247 -9.804 -0.619 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.501 -10.470 -1.683 1.00 0.00 C ATOM 1473 C HIS B 39 -2.170 -11.097 -1.250 1.00 0.00 C ATOM 1474 O HIS B 39 -1.889 -12.239 -1.611 1.00 0.00 O ATOM 1475 CB HIS B 39 -3.262 -9.422 -2.764 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.414 -9.085 -3.664 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -4.272 -8.327 -4.828 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.718 -9.460 -3.521 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.504 -8.255 -5.359 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -6.384 -8.941 -4.605 1.00 0.00 N ATOM 0 H HIS B 39 -4.582 -8.882 -0.898 1.00 0.00 H new ATOM 0 HA HIS B 39 -4.093 -11.317 -2.031 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -2.935 -8.503 -2.277 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.436 -9.763 -3.388 1.00 0.00 H new ATOM 0 HD1 HIS B 39 -3.415 -7.915 -5.197 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -6.141 -10.046 -2.718 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.754 -7.721 -6.264 1.00 0.00 H new ATOM 0 HE2 HIS B 39 -7.378 -9.056 -4.805 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.378 -10.375 -0.450 1.00 0.00 N ATOM 1489 CA ILE B 40 -0.093 -10.873 0.070 1.00 0.00 C ATOM 1490 C ILE B 40 -0.292 -12.122 0.941 1.00 0.00 C ATOM 1491 O ILE B 40 0.348 -13.145 0.711 1.00 0.00 O ATOM 1492 CB ILE B 40 0.661 -9.762 0.841 1.00 0.00 C ATOM 1493 CG1 ILE B 40 0.886 -8.534 -0.070 1.00 0.00 C ATOM 1494 CG2 ILE B 40 2.017 -10.273 1.366 1.00 0.00 C ATOM 1495 CD1 ILE B 40 1.652 -7.373 0.583 1.00 0.00 C ATOM 0 H ILE B 40 -1.606 -9.429 -0.143 1.00 0.00 H new ATOM 0 HA ILE B 40 0.523 -11.163 -0.781 1.00 0.00 H new ATOM 0 HB ILE B 40 0.047 -9.472 1.693 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.430 -8.854 -0.958 1.00 0.00 H new ATOM 0 HG13 ILE B 40 -0.084 -8.167 -0.405 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.524 -9.472 1.903 1.00 0.00 H new ATOM 0 HG22 ILE B 40 1.853 -11.114 2.039 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.634 -10.595 0.527 1.00 0.00 H new ATOM 0 HD11 ILE B 40 1.760 -6.559 -0.134 1.00 0.00 H new ATOM 0 HD12 ILE B 40 1.102 -7.018 1.454 1.00 0.00 H new ATOM 0 HD13 ILE B 40 2.639 -7.717 0.893 1.00 0.00 H new ATOM 1507 N GLU B 41 -1.201 -12.077 1.916 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.487 -13.229 2.782 1.00 0.00 C ATOM 1509 C GLU B 41 -2.315 -14.314 2.075 1.00 0.00 C ATOM 1510 O GLU B 41 -2.129 -15.497 2.353 1.00 0.00 O ATOM 1511 CB GLU B 41 -2.149 -12.766 4.089 1.00 0.00 C ATOM 1512 CG GLU B 41 -1.150 -11.988 4.962 1.00 0.00 C ATOM 1513 CD GLU B 41 -1.758 -11.610 6.327 1.00 0.00 C ATOM 1514 OE1 GLU B 41 -1.870 -12.493 7.214 1.00 0.00 O ATOM 1515 OE2 GLU B 41 -2.107 -10.423 6.537 1.00 0.00 O ATOM 0 H GLU B 41 -1.758 -11.249 2.129 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.533 -13.696 3.027 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -3.009 -12.136 3.863 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -2.523 -13.630 4.638 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -0.255 -12.591 5.117 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -0.838 -11.084 4.440 1.00 0.00 H new ATOM 1522 N TRP B 42 -3.157 -13.948 1.107 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.841 -14.862 0.191 1.00 0.00 C ATOM 1524 C TRP B 42 -2.875 -15.745 -0.600 1.00 0.00 C ATOM 1525 O TRP B 42 -3.105 -16.954 -0.660 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.760 -14.044 -0.732 1.00 0.00 C ATOM 1527 CG TRP B 42 -6.136 -13.761 -0.221 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.611 -14.069 1.008 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -7.236 -13.109 -0.928 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -7.939 -13.692 1.095 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -8.375 -13.089 -0.070 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.374 -12.511 -2.200 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.593 -12.509 -0.457 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.583 -11.909 -2.593 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.694 -11.913 -1.729 1.00 0.00 C ATOM 0 H TRP B 42 -3.390 -12.970 0.933 1.00 0.00 H new ATOM 0 HA TRP B 42 -4.442 -15.555 0.780 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -4.272 -13.093 -0.943 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.850 -14.574 -1.680 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -6.042 -14.536 1.798 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.524 -13.841 1.917 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.537 -12.516 -2.883 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.441 -12.520 0.211 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.659 -11.441 -3.563 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.623 -11.459 -2.041 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.782 -15.204 -1.157 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.802 -16.052 -1.849 1.00 0.00 C ATOM 1548 C LEU B 43 0.103 -16.846 -0.877 1.00 0.00 C ATOM 1549 O LEU B 43 0.534 -17.952 -1.202 1.00 0.00 O ATOM 1550 CB LEU B 43 -0.082 -15.254 -2.943 1.00 0.00 C ATOM 1551 CG LEU B 43 1.141 -14.476 -2.464 1.00 0.00 C ATOM 1552 CD1 LEU B 43 2.421 -15.268 -2.716 1.00 0.00 C ATOM 1553 CD2 LEU B 43 1.232 -13.146 -3.199 1.00 0.00 C ATOM 0 H LEU B 43 -1.558 -14.209 -1.144 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.330 -16.848 -2.375 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.227 -15.941 -3.731 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.789 -14.554 -3.389 1.00 0.00 H new ATOM 0 HG LEU B 43 1.033 -14.304 -1.393 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.279 -14.694 -2.367 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.375 -16.215 -2.178 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.525 -15.462 -3.784 1.00 0.00 H new ATOM 0 HD21 LEU B 43 2.107 -12.597 -2.851 1.00 0.00 H new ATOM 0 HD22 LEU B 43 1.319 -13.328 -4.270 1.00 0.00 H new ATOM 0 HD23 LEU B 43 0.334 -12.560 -3.003 1.00 0.00 H new ATOM 1565 N GLU B 44 0.359 -16.323 0.330 1.00 0.00 N ATOM 1566 CA GLU B 44 1.229 -16.956 1.338 1.00 0.00 C ATOM 1567 C GLU B 44 0.542 -18.106 2.102 1.00 0.00 C ATOM 1568 O GLU B 44 1.172 -19.133 2.356 1.00 0.00 O ATOM 1569 CB GLU B 44 1.739 -15.879 2.318 1.00 0.00 C ATOM 1570 CG GLU B 44 3.184 -16.083 2.801 1.00 0.00 C ATOM 1571 CD GLU B 44 3.373 -17.247 3.796 1.00 0.00 C ATOM 1572 OE1 GLU B 44 2.694 -17.269 4.851 1.00 0.00 O ATOM 1573 OE2 GLU B 44 4.257 -18.106 3.561 1.00 0.00 O ATOM 0 H GLU B 44 -0.037 -15.436 0.641 1.00 0.00 H new ATOM 0 HA GLU B 44 2.066 -17.409 0.807 1.00 0.00 H new ATOM 0 HB2 GLU B 44 1.666 -14.904 1.836 1.00 0.00 H new ATOM 0 HB3 GLU B 44 1.080 -15.856 3.186 1.00 0.00 H new ATOM 0 HG2 GLU B 44 3.821 -16.257 1.934 1.00 0.00 H new ATOM 0 HG3 GLU B 44 3.529 -15.162 3.271 1.00 0.00 H new ATOM 1580 N THR B 45 -0.756 -17.986 2.424 1.00 0.00 N ATOM 1581 CA THR B 45 -1.522 -18.984 3.209 1.00 0.00 C ATOM 1582 C THR B 45 -1.515 -20.382 2.568 1.00 0.00 C ATOM 1583 O THR B 45 -1.541 -21.397 3.266 1.00 0.00 O ATOM 1584 CB THR B 45 -2.968 -18.491 3.448 1.00 0.00 C ATOM 1585 OG1 THR B 45 -2.943 -17.316 4.228 1.00 0.00 O ATOM 1586 CG2 THR B 45 -3.852 -19.474 4.218 1.00 0.00 C ATOM 0 H THR B 45 -1.317 -17.182 2.144 1.00 0.00 H new ATOM 0 HA THR B 45 -1.019 -19.085 4.171 1.00 0.00 H new ATOM 0 HB THR B 45 -3.383 -18.349 2.450 1.00 0.00 H new ATOM 0 HG1 THR B 45 -2.554 -16.584 3.705 1.00 0.00 H new ATOM 0 HG21 THR B 45 -4.848 -19.048 4.341 1.00 0.00 H new ATOM 0 HG22 THR B 45 -3.923 -20.410 3.664 1.00 0.00 H new ATOM 0 HG23 THR B 45 -3.416 -19.665 5.198 1.00 0.00 H new ATOM 1594 N ILE B 46 -1.400 -20.445 1.238 1.00 0.00 N ATOM 1595 CA ILE B 46 -1.326 -21.680 0.439 1.00 0.00 C ATOM 1596 C ILE B 46 -0.110 -22.554 0.795 1.00 0.00 C ATOM 1597 O ILE B 46 -0.160 -23.781 0.689 1.00 0.00 O ATOM 1598 CB ILE B 46 -1.284 -21.297 -1.062 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -2.386 -20.291 -1.466 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -1.358 -22.534 -1.973 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -3.806 -20.641 -0.988 1.00 0.00 C ATOM 0 H ILE B 46 -1.354 -19.605 0.662 1.00 0.00 H new ATOM 0 HA ILE B 46 -2.210 -22.277 0.664 1.00 0.00 H new ATOM 0 HB ILE B 46 -0.320 -20.807 -1.203 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -2.120 -19.310 -1.073 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -2.397 -20.207 -2.553 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -1.326 -22.220 -3.016 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -0.513 -23.190 -1.765 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -2.288 -23.070 -1.784 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -4.503 -19.873 -1.324 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -4.102 -21.605 -1.402 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -3.821 -20.694 0.101 1.00 0.00 H new ATOM 1613 N LEU B 47 0.990 -21.924 1.214 1.00 0.00 N ATOM 1614 CA LEU B 47 2.323 -22.530 1.276 1.00 0.00 C ATOM 1615 C LEU B 47 2.598 -23.310 2.578 1.00 0.00 C ATOM 1616 O LEU B 47 3.566 -24.073 2.643 1.00 0.00 O ATOM 1617 CB LEU B 47 3.366 -21.412 1.087 1.00 0.00 C ATOM 1618 CG LEU B 47 3.168 -20.532 -0.166 1.00 0.00 C ATOM 1619 CD1 LEU B 47 4.167 -19.380 -0.130 1.00 0.00 C ATOM 1620 CD2 LEU B 47 3.355 -21.317 -1.468 1.00 0.00 C ATOM 0 H LEU B 47 0.978 -20.953 1.528 1.00 0.00 H new ATOM 0 HA LEU B 47 2.387 -23.272 0.480 1.00 0.00 H new ATOM 0 HB2 LEU B 47 3.351 -20.770 1.968 1.00 0.00 H new ATOM 0 HB3 LEU B 47 4.356 -21.865 1.040 1.00 0.00 H new ATOM 0 HG LEU B 47 2.143 -20.162 -0.149 1.00 0.00 H new ATOM 0 HD11 LEU B 47 4.033 -18.754 -1.012 1.00 0.00 H new ATOM 0 HD12 LEU B 47 4.002 -18.783 0.767 1.00 0.00 H new ATOM 0 HD13 LEU B 47 5.182 -19.778 -0.119 1.00 0.00 H new ATOM 0 HD21 LEU B 47 3.205 -20.652 -2.319 1.00 0.00 H new ATOM 0 HD22 LEU B 47 4.364 -21.729 -1.503 1.00 0.00 H new ATOM 0 HD23 LEU B 47 2.630 -22.130 -1.510 1.00 0.00 H new ATOM 1632 N GLY B 48 1.762 -23.135 3.609 1.00 0.00 N ATOM 1633 CA GLY B 48 1.947 -23.760 4.928 1.00 0.00 C ATOM 1634 C GLY B 48 0.796 -23.567 5.928 1.00 0.00 C ATOM 1635 O GLY B 48 0.978 -23.768 7.129 1.00 0.00 O ATOM 0 H GLY B 48 0.929 -22.550 3.552 1.00 0.00 H new ATOM 0 HA2 GLY B 48 2.102 -24.829 4.784 1.00 0.00 H new ATOM 0 HA3 GLY B 48 2.860 -23.363 5.372 1.00 0.00 H new HETATM 1639 N NH2 B 49 -0.391 -23.162 5.489 1.00 0.00 N TER 1642 NH2 B 49 HETATM 1643 ZN ZN A 50 -3.319 -4.647 -7.711 1.00 0.00 ZN HETATM 1644 ZN ZN B 50 -1.686 -7.403 -5.463 1.00 0.00 ZN