USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 570 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 TYR OH : rot 17:sc= 0.466 USER MOD Set 1.2: A 49 SER OG : rot 82:sc= 1.58 USER MOD Set 2.1: A 32 LYS NZ :NH3+ -168:sc= 0.574 (180deg=0) USER MOD Set 2.2: A 33 TYR OH : rot 178:sc= 0.529 USER MOD Set 3.1: A 14 SER OG : rot -131:sc= 1.19 USER MOD Set 3.2: A 16 SER OG : rot 180:sc= 1.05 USER MOD Single : A 3 LYS NZ :NH3+ 173:sc= 1.04 (180deg=0.997) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -8:sc= 1.08 USER MOD Single : A 18 ASN : amide:sc= -0.691! C(o=-0.69!,f=-12!) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0.67 K(o=0.67,f=-6.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 102:sc= 1.25 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 1.2 (180deg=1.2) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc=-0.00465 X(o=-0.0047,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.0858 X(o=-0.086,f=-0.11) USER MOD Single : A 60 LYS NZ :NH3+ -179:sc= 0.934 (180deg=0.932) USER MOD Single : A 64 TYR OH : rot -29:sc= 0.262 USER MOD Single : A 66 GLN : amide:sc= 0.521 K(o=0.52,f=-0.37) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N VAL A 2 -2.427 -13.142 -5.671 1.00 0.00 N ATOM 12 CA VAL A 2 -3.068 -12.046 -6.391 1.00 0.00 C ATOM 13 C VAL A 2 -2.508 -11.911 -7.800 1.00 0.00 C ATOM 14 O VAL A 2 -1.433 -12.430 -8.104 1.00 0.00 O ATOM 15 CB VAL A 2 -2.871 -10.721 -5.631 1.00 0.00 C ATOM 16 CG1 VAL A 2 -3.518 -10.792 -4.257 1.00 0.00 C ATOM 17 CG2 VAL A 2 -1.386 -10.408 -5.514 1.00 0.00 C ATOM 0 HA VAL A 2 -4.132 -12.271 -6.461 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.354 -9.918 -6.188 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.368 -9.847 -3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.586 -10.981 -4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.064 -11.600 -3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.253 -9.470 -4.976 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.886 -11.211 -4.972 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.953 -10.319 -6.510 1.00 0.00 H new ATOM 27 N LYS A 3 -3.241 -11.209 -8.658 1.00 0.00 N ATOM 28 CA LYS A 3 -2.800 -10.976 -10.028 1.00 0.00 C ATOM 29 C LYS A 3 -1.601 -10.039 -10.068 1.00 0.00 C ATOM 30 O LYS A 3 -0.531 -10.406 -10.558 1.00 0.00 O ATOM 31 CB LYS A 3 -3.943 -10.401 -10.867 1.00 0.00 C ATOM 32 CG LYS A 3 -3.582 -10.126 -12.319 1.00 0.00 C ATOM 33 CD LYS A 3 -4.783 -9.615 -13.101 1.00 0.00 C ATOM 34 CE LYS A 3 -4.396 -9.227 -14.521 1.00 0.00 C ATOM 35 NZ LYS A 3 -5.555 -8.698 -15.289 1.00 0.00 N ATOM 0 H LYS A 3 -4.143 -10.792 -8.429 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.498 -11.935 -10.449 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.782 -11.096 -10.840 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.283 -9.473 -10.408 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.778 -9.392 -12.363 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.206 -11.039 -12.781 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.555 -10.384 -13.130 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.212 -8.753 -12.590 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.608 -8.475 -14.489 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.986 -10.096 -15.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.227 -8.336 -16.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.246 -9.460 -15.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.004 -7.928 -14.754 1.00 0.00 H new ATOM 49 N GLU A 4 -1.781 -8.829 -9.551 1.00 0.00 N ATOM 50 CA GLU A 4 -0.708 -7.844 -9.511 1.00 0.00 C ATOM 51 C GLU A 4 -0.200 -7.639 -8.090 1.00 0.00 C ATOM 52 O GLU A 4 -0.967 -7.711 -7.130 1.00 0.00 O ATOM 53 CB GLU A 4 -1.185 -6.509 -10.090 1.00 0.00 C ATOM 54 CG GLU A 4 -1.540 -6.557 -11.569 1.00 0.00 C ATOM 55 CD GLU A 4 -1.990 -5.226 -12.104 1.00 0.00 C ATOM 56 OE1 GLU A 4 -2.107 -4.305 -11.333 1.00 0.00 O ATOM 57 OE2 GLU A 4 -2.214 -5.131 -13.289 1.00 0.00 O ATOM 0 H GLU A 4 -2.663 -8.506 -9.153 1.00 0.00 H new ATOM 0 HA GLU A 4 0.114 -8.224 -10.118 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.058 -6.175 -9.530 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.405 -5.762 -9.940 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.673 -6.897 -12.135 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.330 -7.292 -11.725 1.00 0.00 H new ATOM 64 N THR A 5 1.098 -7.386 -7.962 1.00 0.00 N ATOM 65 CA THR A 5 1.719 -7.213 -6.653 1.00 0.00 C ATOM 66 C THR A 5 2.296 -5.812 -6.498 1.00 0.00 C ATOM 67 O THR A 5 2.992 -5.520 -5.524 1.00 0.00 O ATOM 68 CB THR A 5 2.827 -8.257 -6.424 1.00 0.00 C ATOM 69 OG1 THR A 5 3.832 -8.122 -7.437 1.00 0.00 O ATOM 70 CG2 THR A 5 2.251 -9.665 -6.470 1.00 0.00 C ATOM 0 H THR A 5 1.741 -7.296 -8.749 1.00 0.00 H new ATOM 0 HA THR A 5 0.940 -7.356 -5.904 1.00 0.00 H new ATOM 0 HB THR A 5 3.267 -8.088 -5.441 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.537 -8.786 -7.289 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.048 -10.390 -6.306 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.495 -9.775 -5.692 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.796 -9.840 -7.445 1.00 0.00 H new ATOM 78 N LYS A 6 2.005 -4.946 -7.464 1.00 0.00 N ATOM 79 CA LYS A 6 2.589 -3.611 -7.499 1.00 0.00 C ATOM 80 C LYS A 6 2.324 -2.860 -6.201 1.00 0.00 C ATOM 81 O LYS A 6 3.239 -2.296 -5.602 1.00 0.00 O ATOM 82 CB LYS A 6 2.043 -2.818 -8.687 1.00 0.00 C ATOM 83 CG LYS A 6 2.611 -1.411 -8.819 1.00 0.00 C ATOM 84 CD LYS A 6 2.081 -0.716 -10.065 1.00 0.00 C ATOM 85 CE LYS A 6 2.630 0.698 -10.186 1.00 0.00 C ATOM 86 NZ LYS A 6 2.173 1.368 -11.433 1.00 0.00 N ATOM 0 H LYS A 6 1.367 -5.146 -8.234 1.00 0.00 H new ATOM 0 HA LYS A 6 3.667 -3.722 -7.614 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.253 -3.369 -9.604 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.959 -2.752 -8.597 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.351 -0.827 -7.936 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.699 -1.458 -8.861 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.355 -1.292 -10.949 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.992 -0.684 -10.030 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.315 1.284 -9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.719 0.667 -10.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.569 2.329 -11.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.495 0.823 -12.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.134 1.422 -11.438 1.00 0.00 H new ATOM 100 N LEU A 7 1.068 -2.858 -5.771 1.00 0.00 N ATOM 101 CA LEU A 7 0.661 -2.097 -4.596 1.00 0.00 C ATOM 102 C LEU A 7 1.176 -2.742 -3.316 1.00 0.00 C ATOM 103 O LEU A 7 1.458 -2.057 -2.333 1.00 0.00 O ATOM 104 CB LEU A 7 -0.868 -1.984 -4.539 1.00 0.00 C ATOM 105 CG LEU A 7 -1.523 -1.230 -5.703 1.00 0.00 C ATOM 106 CD1 LEU A 7 -3.026 -1.145 -5.473 1.00 0.00 C ATOM 107 CD2 LEU A 7 -0.908 0.156 -5.822 1.00 0.00 C ATOM 0 H LEU A 7 0.312 -3.376 -6.219 1.00 0.00 H new ATOM 0 HA LEU A 7 1.095 -1.100 -4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.287 -2.989 -4.500 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.143 -1.488 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.348 -1.764 -6.637 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.491 -0.609 -6.300 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.442 -2.151 -5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.222 -0.614 -4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.374 0.691 -6.649 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.071 0.707 -4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.162 0.064 -6.006 1.00 0.00 H new ATOM 119 N TYR A 8 1.298 -4.066 -3.334 1.00 0.00 N ATOM 120 CA TYR A 8 1.846 -4.800 -2.200 1.00 0.00 C ATOM 121 C TYR A 8 3.342 -4.553 -2.056 1.00 0.00 C ATOM 122 O TYR A 8 3.872 -4.529 -0.945 1.00 0.00 O ATOM 123 CB TYR A 8 1.569 -6.298 -2.348 1.00 0.00 C ATOM 124 CG TYR A 8 0.105 -6.662 -2.232 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.614 -7.020 -3.363 1.00 0.00 C ATOM 126 CD2 TYR A 8 -0.519 -6.637 -0.994 1.00 0.00 C ATOM 127 CE1 TYR A 8 -1.950 -7.352 -3.257 1.00 0.00 C ATOM 128 CE2 TYR A 8 -1.856 -6.969 -0.887 1.00 0.00 C ATOM 129 CZ TYR A 8 -2.570 -7.325 -2.012 1.00 0.00 C ATOM 130 OH TYR A 8 -3.902 -7.656 -1.906 1.00 0.00 O ATOM 0 H TYR A 8 1.024 -4.652 -4.123 1.00 0.00 H new ATOM 0 HA TYR A 8 1.354 -4.438 -1.297 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.942 -6.633 -3.316 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.130 -6.839 -1.586 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.128 -7.039 -4.327 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.040 -6.358 -0.113 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.511 -7.631 -4.137 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.342 -6.950 0.077 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.287 -7.754 -2.802 1.00 0.00 H new ATOM 140 N ASP A 9 4.019 -4.367 -3.185 1.00 0.00 N ATOM 141 CA ASP A 9 5.442 -4.058 -3.183 1.00 0.00 C ATOM 142 C ASP A 9 5.696 -2.642 -2.680 1.00 0.00 C ATOM 143 O ASP A 9 6.685 -2.387 -1.991 1.00 0.00 O ATOM 144 CB ASP A 9 6.029 -4.218 -4.588 1.00 0.00 C ATOM 145 CG ASP A 9 6.132 -5.673 -5.023 1.00 0.00 C ATOM 146 OD1 ASP A 9 6.072 -6.533 -4.177 1.00 0.00 O ATOM 147 OD2 ASP A 9 6.269 -5.913 -6.200 1.00 0.00 O ATOM 0 H ASP A 9 3.602 -4.425 -4.114 1.00 0.00 H new ATOM 0 HA ASP A 9 5.932 -4.760 -2.508 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.408 -3.674 -5.300 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.020 -3.764 -4.617 1.00 0.00 H new ATOM 152 N LEU A 10 4.800 -1.726 -3.026 1.00 0.00 N ATOM 153 CA LEU A 10 4.880 -0.353 -2.541 1.00 0.00 C ATOM 154 C LEU A 10 4.774 -0.296 -1.024 1.00 0.00 C ATOM 155 O LEU A 10 5.509 0.441 -0.367 1.00 0.00 O ATOM 156 CB LEU A 10 3.769 0.497 -3.171 1.00 0.00 C ATOM 157 CG LEU A 10 3.938 0.816 -4.662 1.00 0.00 C ATOM 158 CD1 LEU A 10 2.681 1.500 -5.182 1.00 0.00 C ATOM 159 CD2 LEU A 10 5.161 1.699 -4.857 1.00 0.00 C ATOM 0 H LEU A 10 4.008 -1.909 -3.642 1.00 0.00 H new ATOM 0 HA LEU A 10 5.851 0.048 -2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.820 -0.021 -3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.701 1.437 -2.623 1.00 0.00 H new ATOM 0 HG LEU A 10 4.086 -0.106 -5.225 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.802 1.726 -6.241 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.825 0.839 -5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.515 2.425 -4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.281 1.926 -5.916 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.032 2.627 -4.300 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.047 1.178 -4.495 1.00 0.00 H new ATOM 171 N LEU A 11 3.853 -1.079 -0.470 1.00 0.00 N ATOM 172 CA LEU A 11 3.670 -1.144 0.975 1.00 0.00 C ATOM 173 C LEU A 11 4.742 -2.008 1.627 1.00 0.00 C ATOM 174 O LEU A 11 5.114 -1.786 2.779 1.00 0.00 O ATOM 175 CB LEU A 11 2.281 -1.702 1.309 1.00 0.00 C ATOM 176 CG LEU A 11 1.093 -0.831 0.879 1.00 0.00 C ATOM 177 CD1 LEU A 11 -0.207 -1.512 1.284 1.00 0.00 C ATOM 178 CD2 LEU A 11 1.213 0.543 1.519 1.00 0.00 C ATOM 0 H LEU A 11 3.221 -1.678 -1.001 1.00 0.00 H new ATOM 0 HA LEU A 11 3.757 -0.132 1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.180 -2.680 0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.222 -1.859 2.386 1.00 0.00 H new ATOM 0 HG LEU A 11 1.094 -0.706 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.052 -0.894 0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.275 -2.485 0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.226 -1.645 2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.369 1.162 1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.213 0.440 2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.143 1.014 1.199 1.00 0.00 H new ATOM 190 N GLY A 12 5.235 -2.991 0.884 1.00 0.00 N ATOM 191 CA GLY A 12 6.254 -3.901 1.394 1.00 0.00 C ATOM 192 C GLY A 12 5.636 -4.985 2.268 1.00 0.00 C ATOM 193 O GLY A 12 6.172 -5.326 3.322 1.00 0.00 O ATOM 0 H GLY A 12 4.945 -3.179 -0.076 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.785 -4.361 0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.990 -3.341 1.971 1.00 0.00 H new ATOM 197 N VAL A 13 4.508 -5.525 1.821 1.00 0.00 N ATOM 198 CA VAL A 13 3.757 -6.495 2.610 1.00 0.00 C ATOM 199 C VAL A 13 3.186 -7.599 1.730 1.00 0.00 C ATOM 200 O VAL A 13 2.741 -7.344 0.610 1.00 0.00 O ATOM 201 CB VAL A 13 2.609 -5.797 3.365 1.00 0.00 C ATOM 202 CG1 VAL A 13 1.630 -5.172 2.381 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.904 -6.795 4.270 1.00 0.00 C ATOM 0 H VAL A 13 4.093 -5.307 0.915 1.00 0.00 H new ATOM 0 HA VAL A 13 4.446 -6.943 3.326 1.00 0.00 H new ATOM 0 HB VAL A 13 3.022 -4.999 3.983 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.825 -4.683 2.930 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.150 -4.436 1.768 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.213 -5.949 1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.094 -6.295 4.801 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.497 -7.608 3.668 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.615 -7.198 4.991 1.00 0.00 H new ATOM 213 N SER A 14 3.201 -8.824 2.242 1.00 0.00 N ATOM 214 CA SER A 14 2.706 -9.973 1.494 1.00 0.00 C ATOM 215 C SER A 14 1.214 -9.844 1.210 1.00 0.00 C ATOM 216 O SER A 14 0.458 -9.337 2.038 1.00 0.00 O ATOM 217 CB SER A 14 2.974 -11.253 2.262 1.00 0.00 C ATOM 218 OG SER A 14 2.383 -12.353 1.628 1.00 0.00 O ATOM 0 H SER A 14 3.551 -9.047 3.174 1.00 0.00 H new ATOM 0 HA SER A 14 3.235 -10.006 0.541 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.049 -11.412 2.346 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.585 -11.161 3.276 1.00 0.00 H new ATOM 0 HG SER A 14 1.882 -12.880 2.286 1.00 0.00 H new ATOM 224 N PRO A 15 0.798 -10.305 0.035 1.00 0.00 N ATOM 225 CA PRO A 15 -0.610 -10.288 -0.338 1.00 0.00 C ATOM 226 C PRO A 15 -1.414 -11.281 0.492 1.00 0.00 C ATOM 227 O PRO A 15 -2.644 -11.242 0.506 1.00 0.00 O ATOM 228 CB PRO A 15 -0.579 -10.684 -1.818 1.00 0.00 C ATOM 229 CG PRO A 15 0.654 -11.510 -1.949 1.00 0.00 C ATOM 230 CD PRO A 15 1.649 -10.845 -1.035 1.00 0.00 C ATOM 0 HA PRO A 15 -1.090 -9.325 -0.166 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.468 -11.249 -2.098 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.542 -9.807 -2.464 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.473 -12.544 -1.654 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.012 -11.530 -2.979 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.382 -11.554 -0.650 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.205 -10.059 -1.546 1.00 0.00 H new ATOM 238 N SER A 16 -0.711 -12.171 1.183 1.00 0.00 N ATOM 239 CA SER A 16 -1.352 -13.123 2.082 1.00 0.00 C ATOM 240 C SER A 16 -1.706 -12.473 3.414 1.00 0.00 C ATOM 241 O SER A 16 -2.415 -13.059 4.232 1.00 0.00 O ATOM 242 CB SER A 16 -0.444 -14.314 2.315 1.00 0.00 C ATOM 243 OG SER A 16 0.688 -13.944 3.054 1.00 0.00 O ATOM 0 H SER A 16 0.305 -12.253 1.138 1.00 0.00 H new ATOM 0 HA SER A 16 -2.276 -13.459 1.611 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.990 -15.094 2.845 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.137 -14.735 1.358 1.00 0.00 H new ATOM 0 HG SER A 16 1.258 -14.729 3.193 1.00 0.00 H new ATOM 249 N ALA A 17 -1.209 -11.259 3.623 1.00 0.00 N ATOM 250 CA ALA A 17 -1.465 -10.530 4.859 1.00 0.00 C ATOM 251 C ALA A 17 -2.919 -10.089 4.947 1.00 0.00 C ATOM 252 O ALA A 17 -3.553 -9.800 3.932 1.00 0.00 O ATOM 253 CB ALA A 17 -0.538 -9.327 4.967 1.00 0.00 C ATOM 0 H ALA A 17 -0.626 -10.759 2.952 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.267 -11.203 5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.742 -8.793 5.895 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.498 -9.665 4.962 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.706 -8.661 4.121 1.00 0.00 H new ATOM 259 N ASN A 18 -3.445 -10.037 6.168 1.00 0.00 N ATOM 260 CA ASN A 18 -4.824 -9.621 6.392 1.00 0.00 C ATOM 261 C ASN A 18 -4.939 -8.103 6.443 1.00 0.00 C ATOM 262 O ASN A 18 -3.951 -7.388 6.270 1.00 0.00 O ATOM 263 CB ASN A 18 -5.369 -10.242 7.663 1.00 0.00 C ATOM 264 CG ASN A 18 -4.701 -9.709 8.901 1.00 0.00 C ATOM 265 OD1 ASN A 18 -4.366 -8.520 8.977 1.00 0.00 O ATOM 266 ND2 ASN A 18 -4.498 -10.564 9.870 1.00 0.00 N ATOM 0 H ASN A 18 -2.935 -10.278 7.018 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.422 -9.974 5.552 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.441 -10.054 7.724 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.237 -11.323 7.620 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.047 -10.260 10.733 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.791 -11.535 9.763 1.00 0.00 H new ATOM 273 N GLU A 19 -6.152 -7.615 6.682 1.00 0.00 N ATOM 274 CA GLU A 19 -6.440 -6.191 6.566 1.00 0.00 C ATOM 275 C GLU A 19 -5.580 -5.374 7.519 1.00 0.00 C ATOM 276 O GLU A 19 -5.026 -4.342 7.141 1.00 0.00 O ATOM 277 CB GLU A 19 -7.922 -5.923 6.844 1.00 0.00 C ATOM 278 CG GLU A 19 -8.868 -6.451 5.774 1.00 0.00 C ATOM 279 CD GLU A 19 -10.317 -6.280 6.138 1.00 0.00 C ATOM 280 OE1 GLU A 19 -10.588 -5.867 7.241 1.00 0.00 O ATOM 281 OE2 GLU A 19 -11.153 -6.563 5.314 1.00 0.00 O ATOM 0 H GLU A 19 -6.951 -8.186 6.957 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.205 -5.886 5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.187 -6.374 7.800 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.072 -4.848 6.946 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.671 -5.934 4.835 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.663 -7.508 5.605 1.00 0.00 H new ATOM 288 N GLN A 20 -5.471 -5.841 8.758 1.00 0.00 N ATOM 289 CA GLN A 20 -4.706 -5.136 9.780 1.00 0.00 C ATOM 290 C GLN A 20 -3.213 -5.170 9.470 1.00 0.00 C ATOM 291 O GLN A 20 -2.508 -4.181 9.665 1.00 0.00 O ATOM 292 CB GLN A 20 -4.966 -5.744 11.161 1.00 0.00 C ATOM 293 CG GLN A 20 -6.368 -5.504 11.693 1.00 0.00 C ATOM 294 CD GLN A 20 -6.601 -6.173 13.034 1.00 0.00 C ATOM 295 OE1 GLN A 20 -5.874 -7.092 13.419 1.00 0.00 O ATOM 296 NE2 GLN A 20 -7.619 -5.715 13.753 1.00 0.00 N ATOM 0 H GLN A 20 -5.904 -6.707 9.079 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.034 -4.096 9.782 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.787 -6.818 11.112 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.246 -5.333 11.868 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.538 -4.432 11.791 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.096 -5.878 10.973 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.194 -4.953 13.395 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.826 -6.126 14.664 1.00 0.00 H new ATOM 305 N GLU A 21 -2.741 -6.314 8.986 1.00 0.00 N ATOM 306 CA GLU A 21 -1.333 -6.476 8.642 1.00 0.00 C ATOM 307 C GLU A 21 -0.955 -5.610 7.448 1.00 0.00 C ATOM 308 O GLU A 21 0.150 -5.066 7.387 1.00 0.00 O ATOM 309 CB GLU A 21 -1.024 -7.943 8.340 1.00 0.00 C ATOM 310 CG GLU A 21 -1.057 -8.858 9.555 1.00 0.00 C ATOM 311 CD GLU A 21 -0.936 -10.312 9.197 1.00 0.00 C ATOM 312 OE1 GLU A 21 -1.418 -10.691 8.156 1.00 0.00 O ATOM 313 OE2 GLU A 21 -0.362 -11.046 9.964 1.00 0.00 O ATOM 0 H GLU A 21 -3.313 -7.143 8.823 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.741 -6.155 9.499 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.742 -8.309 7.606 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.038 -8.006 7.880 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.245 -8.587 10.230 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.989 -8.699 10.098 1.00 0.00 H new ATOM 320 N LEU A 22 -1.875 -5.485 6.498 1.00 0.00 N ATOM 321 CA LEU A 22 -1.683 -4.596 5.359 1.00 0.00 C ATOM 322 C LEU A 22 -1.590 -3.142 5.803 1.00 0.00 C ATOM 323 O LEU A 22 -0.781 -2.375 5.281 1.00 0.00 O ATOM 324 CB LEU A 22 -2.838 -4.758 4.361 1.00 0.00 C ATOM 325 CG LEU A 22 -2.888 -6.097 3.615 1.00 0.00 C ATOM 326 CD1 LEU A 22 -4.173 -6.178 2.800 1.00 0.00 C ATOM 327 CD2 LEU A 22 -1.665 -6.228 2.720 1.00 0.00 C ATOM 0 H LEU A 22 -2.762 -5.989 6.494 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.744 -4.869 4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.778 -4.626 4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.774 -3.956 3.626 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.881 -6.920 4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.208 -7.130 2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.032 -6.102 3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.199 -5.360 2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.702 -7.180 2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.653 -5.411 1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.762 -6.186 3.329 1.00 0.00 H new ATOM 339 N LYS A 23 -2.421 -2.768 6.770 1.00 0.00 N ATOM 340 CA LYS A 23 -2.363 -1.436 7.358 1.00 0.00 C ATOM 341 C LYS A 23 -1.022 -1.192 8.037 1.00 0.00 C ATOM 342 O LYS A 23 -0.430 -0.120 7.897 1.00 0.00 O ATOM 343 CB LYS A 23 -3.503 -1.243 8.359 1.00 0.00 C ATOM 344 CG LYS A 23 -3.552 0.140 8.996 1.00 0.00 C ATOM 345 CD LYS A 23 -4.763 0.286 9.906 1.00 0.00 C ATOM 346 CE LYS A 23 -4.807 1.662 10.553 1.00 0.00 C ATOM 347 NZ LYS A 23 -5.987 1.819 11.445 1.00 0.00 N ATOM 0 H LYS A 23 -3.144 -3.370 7.163 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.473 -0.710 6.552 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.450 -1.431 7.853 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.409 -1.990 9.147 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.641 0.311 9.569 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.586 0.901 8.216 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.674 0.123 9.331 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.733 -0.481 10.680 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.894 1.822 11.127 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.834 2.427 9.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.980 2.770 11.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.859 1.691 10.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.948 1.106 12.201 1.00 0.00 H new ATOM 361 N LYS A 24 -0.547 -2.190 8.773 1.00 0.00 N ATOM 362 CA LYS A 24 0.751 -2.104 9.435 1.00 0.00 C ATOM 363 C LYS A 24 1.870 -1.880 8.427 1.00 0.00 C ATOM 364 O LYS A 24 2.802 -1.115 8.678 1.00 0.00 O ATOM 365 CB LYS A 24 1.022 -3.370 10.248 1.00 0.00 C ATOM 366 CG LYS A 24 0.167 -3.508 11.501 1.00 0.00 C ATOM 367 CD LYS A 24 0.462 -4.811 12.230 1.00 0.00 C ATOM 368 CE LYS A 24 -0.409 -4.960 13.470 1.00 0.00 C ATOM 369 NZ LYS A 24 -0.132 -6.232 14.192 1.00 0.00 N ATOM 0 H LYS A 24 -1.041 -3.069 8.927 1.00 0.00 H new ATOM 0 HA LYS A 24 0.725 -1.249 10.110 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.855 -4.239 9.611 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.073 -3.384 10.537 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.355 -2.666 12.167 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.888 -3.471 11.230 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.290 -5.653 11.559 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.513 -4.840 12.516 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.235 -4.117 14.139 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.460 -4.927 13.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.745 -6.296 15.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.322 -7.037 13.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.864 -6.252 14.489 1.00 0.00 H new ATOM 383 N GLY A 25 1.772 -2.550 7.283 1.00 0.00 N ATOM 384 CA GLY A 25 2.716 -2.343 6.191 1.00 0.00 C ATOM 385 C GLY A 25 2.725 -0.889 5.739 1.00 0.00 C ATOM 386 O GLY A 25 3.786 -0.295 5.547 1.00 0.00 O ATOM 0 H GLY A 25 1.048 -3.241 7.088 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.717 -2.633 6.512 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.452 -2.986 5.351 1.00 0.00 H new ATOM 390 N TYR A 26 1.537 -0.319 5.570 1.00 0.00 N ATOM 391 CA TYR A 26 1.406 1.089 5.213 1.00 0.00 C ATOM 392 C TYR A 26 2.029 1.985 6.275 1.00 0.00 C ATOM 393 O TYR A 26 2.779 2.908 5.957 1.00 0.00 O ATOM 394 CB TYR A 26 -0.067 1.453 5.008 1.00 0.00 C ATOM 395 CG TYR A 26 -0.306 2.933 4.804 1.00 0.00 C ATOM 396 CD1 TYR A 26 0.219 3.572 3.690 1.00 0.00 C ATOM 397 CD2 TYR A 26 -1.050 3.649 5.728 1.00 0.00 C ATOM 398 CE1 TYR A 26 0.000 4.923 3.503 1.00 0.00 C ATOM 399 CE2 TYR A 26 -1.268 5.001 5.541 1.00 0.00 C ATOM 400 CZ TYR A 26 -0.746 5.637 4.434 1.00 0.00 C ATOM 401 OH TYR A 26 -0.963 6.983 4.248 1.00 0.00 O ATOM 0 H TYR A 26 0.650 -0.811 5.675 1.00 0.00 H new ATOM 0 HA TYR A 26 1.942 1.250 4.278 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.449 0.910 4.144 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.639 1.118 5.873 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.798 3.014 2.970 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.460 3.151 6.594 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.407 5.423 2.636 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.847 5.559 6.262 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.769 7.220 3.317 1.00 0.00 H new ATOM 411 N ARG A 27 1.714 1.708 7.535 1.00 0.00 N ATOM 412 CA ARG A 27 2.209 2.517 8.644 1.00 0.00 C ATOM 413 C ARG A 27 3.731 2.564 8.654 1.00 0.00 C ATOM 414 O ARG A 27 4.327 3.616 8.886 1.00 0.00 O ATOM 415 CB ARG A 27 1.712 1.965 9.971 1.00 0.00 C ATOM 416 CG ARG A 27 0.225 2.155 10.227 1.00 0.00 C ATOM 417 CD ARG A 27 -0.200 1.510 11.495 1.00 0.00 C ATOM 418 NE ARG A 27 0.378 2.165 12.658 1.00 0.00 N ATOM 419 CZ ARG A 27 0.350 1.667 13.909 1.00 0.00 C ATOM 420 NH1 ARG A 27 -0.232 0.512 14.144 1.00 0.00 N ATOM 421 NH2 ARG A 27 0.906 2.340 14.901 1.00 0.00 N ATOM 0 H ARG A 27 1.118 0.929 7.815 1.00 0.00 H new ATOM 0 HA ARG A 27 1.828 3.529 8.508 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.940 0.900 10.013 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.269 2.442 10.778 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.005 3.220 10.265 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.344 1.736 9.397 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.287 1.534 11.568 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.095 0.461 11.485 1.00 0.00 H new ATOM 0 HE ARG A 27 0.837 3.065 12.516 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.662 -0.007 13.379 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.253 0.135 15.092 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.357 3.237 14.719 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.885 1.963 15.848 1.00 0.00 H new ATOM 435 N LYS A 28 4.355 1.418 8.402 1.00 0.00 N ATOM 436 CA LYS A 28 5.810 1.336 8.345 1.00 0.00 C ATOM 437 C LYS A 28 6.363 2.147 7.180 1.00 0.00 C ATOM 438 O LYS A 28 7.321 2.905 7.338 1.00 0.00 O ATOM 439 CB LYS A 28 6.258 -0.122 8.229 1.00 0.00 C ATOM 440 CG LYS A 28 6.049 -0.948 9.490 1.00 0.00 C ATOM 441 CD LYS A 28 6.479 -2.392 9.285 1.00 0.00 C ATOM 442 CE LYS A 28 6.247 -3.224 10.538 1.00 0.00 C ATOM 443 NZ LYS A 28 6.644 -4.645 10.345 1.00 0.00 N ATOM 0 H LYS A 28 3.876 0.533 8.234 1.00 0.00 H new ATOM 0 HA LYS A 28 6.204 1.757 9.270 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.716 -0.591 7.408 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.316 -0.144 7.966 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.617 -0.511 10.311 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.998 -0.917 9.777 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.924 -2.824 8.452 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.535 -2.424 9.015 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.814 -2.798 11.366 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.194 -3.176 10.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.470 -5.176 11.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.085 -5.060 9.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.655 -4.694 10.106 1.00 0.00 H new ATOM 457 N ALA A 29 5.753 1.986 6.010 1.00 0.00 N ATOM 458 CA ALA A 29 6.157 2.733 4.826 1.00 0.00 C ATOM 459 C ALA A 29 5.883 4.222 4.994 1.00 0.00 C ATOM 460 O ALA A 29 6.651 5.062 4.524 1.00 0.00 O ATOM 461 CB ALA A 29 5.442 2.200 3.593 1.00 0.00 C ATOM 0 H ALA A 29 4.976 1.343 5.857 1.00 0.00 H new ATOM 0 HA ALA A 29 7.231 2.600 4.696 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.755 2.768 2.717 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.694 1.149 3.452 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.365 2.300 3.725 1.00 0.00 H new ATOM 467 N ALA A 30 4.783 4.545 5.666 1.00 0.00 N ATOM 468 CA ALA A 30 4.414 5.934 5.909 1.00 0.00 C ATOM 469 C ALA A 30 5.457 6.641 6.764 1.00 0.00 C ATOM 470 O ALA A 30 5.787 7.803 6.523 1.00 0.00 O ATOM 471 CB ALA A 30 3.046 6.010 6.573 1.00 0.00 C ATOM 0 H ALA A 30 4.131 3.862 6.052 1.00 0.00 H new ATOM 0 HA ALA A 30 4.368 6.443 4.946 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.784 7.053 6.748 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.300 5.553 5.923 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.073 5.478 7.524 1.00 0.00 H new ATOM 477 N LEU A 31 5.973 5.935 7.762 1.00 0.00 N ATOM 478 CA LEU A 31 7.068 6.447 8.578 1.00 0.00 C ATOM 479 C LEU A 31 8.341 6.602 7.758 1.00 0.00 C ATOM 480 O LEU A 31 9.066 7.588 7.898 1.00 0.00 O ATOM 481 CB LEU A 31 7.328 5.511 9.765 1.00 0.00 C ATOM 482 CG LEU A 31 6.240 5.490 10.847 1.00 0.00 C ATOM 483 CD1 LEU A 31 6.538 4.380 11.846 1.00 0.00 C ATOM 484 CD2 LEU A 31 6.182 6.845 11.536 1.00 0.00 C ATOM 0 H LEU A 31 5.650 5.004 8.027 1.00 0.00 H new ATOM 0 HA LEU A 31 6.776 7.430 8.949 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.455 4.498 9.384 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.271 5.797 10.230 1.00 0.00 H new ATOM 0 HG LEU A 31 5.268 5.293 10.394 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.765 4.365 12.615 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.555 3.420 11.329 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.508 4.559 12.310 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.409 6.830 12.304 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.146 7.061 11.996 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.949 7.617 10.802 1.00 0.00 H new ATOM 496 N LYS A 32 8.610 5.623 6.900 1.00 0.00 N ATOM 497 CA LYS A 32 9.788 5.656 6.043 1.00 0.00 C ATOM 498 C LYS A 32 9.806 6.911 5.179 1.00 0.00 C ATOM 499 O LYS A 32 10.835 7.575 5.051 1.00 0.00 O ATOM 500 CB LYS A 32 9.844 4.408 5.160 1.00 0.00 C ATOM 501 CG LYS A 32 11.075 4.325 4.266 1.00 0.00 C ATOM 502 CD LYS A 32 11.030 3.091 3.378 1.00 0.00 C ATOM 503 CE LYS A 32 12.253 3.012 2.475 1.00 0.00 C ATOM 504 NZ LYS A 32 12.098 1.978 1.418 1.00 0.00 N ATOM 0 H LYS A 32 8.026 4.795 6.780 1.00 0.00 H new ATOM 0 HA LYS A 32 10.668 5.673 6.687 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.813 3.525 5.798 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.952 4.380 4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.138 5.220 3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.974 4.300 4.882 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.975 2.196 3.998 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.127 3.112 2.769 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.424 3.983 2.010 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.134 2.787 3.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.015 1.813 0.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.761 1.092 1.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.409 2.305 0.711 1.00 0.00 H new ATOM 518 N TYR A 33 8.661 7.230 4.585 1.00 0.00 N ATOM 519 CA TYR A 33 8.562 8.359 3.669 1.00 0.00 C ATOM 520 C TYR A 33 7.860 9.542 4.325 1.00 0.00 C ATOM 521 O TYR A 33 7.331 10.418 3.643 1.00 0.00 O ATOM 522 CB TYR A 33 7.826 7.948 2.391 1.00 0.00 C ATOM 523 CG TYR A 33 8.435 6.752 1.694 1.00 0.00 C ATOM 524 CD1 TYR A 33 7.710 5.575 1.577 1.00 0.00 C ATOM 525 CD2 TYR A 33 9.717 6.831 1.172 1.00 0.00 C ATOM 526 CE1 TYR A 33 8.266 4.482 0.939 1.00 0.00 C ATOM 527 CE2 TYR A 33 10.273 5.738 0.536 1.00 0.00 C ATOM 528 CZ TYR A 33 9.553 4.568 0.420 1.00 0.00 C ATOM 529 OH TYR A 33 10.105 3.478 -0.214 1.00 0.00 O ATOM 0 H TYR A 33 7.788 6.721 4.722 1.00 0.00 H new ATOM 0 HA TYR A 33 9.574 8.668 3.409 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.788 7.724 2.637 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.815 8.792 1.701 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.712 5.513 1.984 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.281 7.747 1.263 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.703 3.565 0.844 1.00 0.00 H new ATOM 0 HE2 TYR A 33 11.272 5.800 0.130 1.00 0.00 H new ATOM 0 HH TYR A 33 10.996 3.711 -0.548 1.00 0.00 H new ATOM 539 N HIS A 34 7.861 9.560 5.654 1.00 0.00 N ATOM 540 CA HIS A 34 7.142 10.583 6.406 1.00 0.00 C ATOM 541 C HIS A 34 7.744 11.962 6.170 1.00 0.00 C ATOM 542 O HIS A 34 8.959 12.140 6.237 1.00 0.00 O ATOM 543 CB HIS A 34 7.155 10.261 7.903 1.00 0.00 C ATOM 544 CG HIS A 34 6.126 11.011 8.688 1.00 0.00 C ATOM 545 ND1 HIS A 34 6.237 12.358 8.967 1.00 0.00 N ATOM 546 CD2 HIS A 34 4.964 10.605 9.256 1.00 0.00 C ATOM 547 CE1 HIS A 34 5.188 12.746 9.670 1.00 0.00 C ATOM 548 NE2 HIS A 34 4.402 11.701 9.859 1.00 0.00 N ATOM 0 H HIS A 34 8.351 8.878 6.233 1.00 0.00 H new ATOM 0 HA HIS A 34 6.111 10.590 6.053 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.993 9.191 8.037 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.142 10.487 8.306 1.00 0.00 H new ATOM 0 HD2 HIS A 34 4.557 9.605 9.237 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.004 13.748 10.029 1.00 0.00 H new ATOM 0 HE2 HIS A 34 3.520 11.708 10.371 1.00 0.00 H new ATOM 556 N PRO A 35 6.883 12.938 5.896 1.00 0.00 N ATOM 557 CA PRO A 35 7.333 14.276 5.536 1.00 0.00 C ATOM 558 C PRO A 35 8.277 14.843 6.590 1.00 0.00 C ATOM 559 O PRO A 35 9.207 15.584 6.269 1.00 0.00 O ATOM 560 CB PRO A 35 6.025 15.072 5.464 1.00 0.00 C ATOM 561 CG PRO A 35 5.015 14.072 5.013 1.00 0.00 C ATOM 562 CD PRO A 35 5.400 12.803 5.726 1.00 0.00 C ATOM 0 HA PRO A 35 7.900 14.304 4.605 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.762 15.495 6.434 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.103 15.904 4.764 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.004 14.383 5.274 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.039 13.943 3.931 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.892 12.711 6.686 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.141 11.920 5.143 1.00 0.00 H new ATOM 570 N ASP A 36 8.033 14.490 7.846 1.00 0.00 N ATOM 571 CA ASP A 36 8.731 15.109 8.966 1.00 0.00 C ATOM 572 C ASP A 36 9.981 14.323 9.340 1.00 0.00 C ATOM 573 O ASP A 36 10.604 14.584 10.368 1.00 0.00 O ATOM 574 CB ASP A 36 7.807 15.219 10.181 1.00 0.00 C ATOM 575 CG ASP A 36 6.654 16.191 9.964 1.00 0.00 C ATOM 576 OD1 ASP A 36 6.792 17.070 9.146 1.00 0.00 O ATOM 577 OD2 ASP A 36 5.650 16.047 10.618 1.00 0.00 O ATOM 0 H ASP A 36 7.355 13.777 8.115 1.00 0.00 H new ATOM 0 HA ASP A 36 9.033 16.109 8.654 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.405 14.233 10.416 1.00 0.00 H new ATOM 0 HB3 ASP A 36 8.388 15.540 11.045 1.00 0.00 H new ATOM 582 N LYS A 37 10.339 13.358 8.500 1.00 0.00 N ATOM 583 CA LYS A 37 11.553 12.577 8.704 1.00 0.00 C ATOM 584 C LYS A 37 12.614 12.927 7.669 1.00 0.00 C ATOM 585 O LYS A 37 12.298 13.425 6.588 1.00 0.00 O ATOM 586 CB LYS A 37 11.243 11.079 8.653 1.00 0.00 C ATOM 587 CG LYS A 37 10.286 10.600 9.737 1.00 0.00 C ATOM 588 CD LYS A 37 10.905 10.733 11.120 1.00 0.00 C ATOM 589 CE LYS A 37 9.990 10.163 12.194 1.00 0.00 C ATOM 590 NZ LYS A 37 10.556 10.344 13.560 1.00 0.00 N ATOM 0 H LYS A 37 9.805 13.098 7.671 1.00 0.00 H new ATOM 0 HA LYS A 37 11.945 12.824 9.691 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.818 10.841 7.678 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.177 10.523 8.738 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.363 11.179 9.692 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.018 9.559 9.555 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.863 10.214 11.143 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.106 11.783 11.331 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.016 10.650 12.137 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.827 9.102 12.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.903 9.942 14.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.473 9.858 13.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.688 11.358 13.750 1.00 0.00 H new ATOM 604 N PRO A 38 13.871 12.664 8.003 1.00 0.00 N ATOM 605 CA PRO A 38 14.982 12.960 7.107 1.00 0.00 C ATOM 606 C PRO A 38 14.794 12.286 5.755 1.00 0.00 C ATOM 607 O PRO A 38 15.228 12.804 4.726 1.00 0.00 O ATOM 608 CB PRO A 38 16.192 12.393 7.857 1.00 0.00 C ATOM 609 CG PRO A 38 15.804 12.478 9.294 1.00 0.00 C ATOM 610 CD PRO A 38 14.338 12.141 9.307 1.00 0.00 C ATOM 0 HA PRO A 38 15.082 14.022 6.881 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.398 11.365 7.560 1.00 0.00 H new ATOM 0 HB3 PRO A 38 17.094 12.971 7.653 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.378 11.779 9.902 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.986 13.475 9.696 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.170 11.068 9.396 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.821 12.615 10.142 1.00 0.00 H new ATOM 618 N THR A 39 14.144 11.127 5.762 1.00 0.00 N ATOM 619 CA THR A 39 13.959 10.343 4.547 1.00 0.00 C ATOM 620 C THR A 39 12.572 10.558 3.957 1.00 0.00 C ATOM 621 O THR A 39 12.085 9.738 3.180 1.00 0.00 O ATOM 622 CB THR A 39 14.180 8.844 4.816 1.00 0.00 C ATOM 623 OG1 THR A 39 13.264 8.396 5.822 1.00 0.00 O ATOM 624 CG2 THR A 39 15.606 8.589 5.284 1.00 0.00 C ATOM 0 H THR A 39 13.736 10.709 6.598 1.00 0.00 H new ATOM 0 HA THR A 39 14.702 10.685 3.827 1.00 0.00 H new ATOM 0 HB THR A 39 14.010 8.296 3.889 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.525 7.912 5.399 1.00 0.00 H new ATOM 0 HG21 THR A 39 15.743 7.524 5.469 1.00 0.00 H new ATOM 0 HG22 THR A 39 16.305 8.917 4.515 1.00 0.00 H new ATOM 0 HG23 THR A 39 15.792 9.144 6.204 1.00 0.00 H new ATOM 632 N GLY A 40 11.940 11.666 4.330 1.00 0.00 N ATOM 633 CA GLY A 40 10.601 11.984 3.851 1.00 0.00 C ATOM 634 C GLY A 40 10.572 12.096 2.332 1.00 0.00 C ATOM 635 O GLY A 40 11.504 12.619 1.720 1.00 0.00 O ATOM 0 H GLY A 40 12.336 12.360 4.964 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.903 11.212 4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.267 12.922 4.294 1.00 0.00 H new ATOM 639 N ASP A 41 9.496 11.602 1.728 1.00 0.00 N ATOM 640 CA ASP A 41 9.362 11.611 0.276 1.00 0.00 C ATOM 641 C ASP A 41 7.898 11.635 -0.141 1.00 0.00 C ATOM 642 O ASP A 41 7.211 10.613 -0.095 1.00 0.00 O ATOM 643 CB ASP A 41 10.052 10.390 -0.335 1.00 0.00 C ATOM 644 CG ASP A 41 10.030 10.397 -1.858 1.00 0.00 C ATOM 645 OD1 ASP A 41 9.091 10.911 -2.417 1.00 0.00 O ATOM 646 OD2 ASP A 41 10.954 9.888 -2.448 1.00 0.00 O ATOM 0 H ASP A 41 8.704 11.190 2.222 1.00 0.00 H new ATOM 0 HA ASP A 41 9.843 12.516 -0.094 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.086 10.354 0.008 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.564 9.485 0.026 1.00 0.00 H new ATOM 651 N THR A 42 7.421 12.807 -0.548 1.00 0.00 N ATOM 652 CA THR A 42 6.007 13.000 -0.842 1.00 0.00 C ATOM 653 C THR A 42 5.546 12.074 -1.961 1.00 0.00 C ATOM 654 O THR A 42 4.461 11.496 -1.894 1.00 0.00 O ATOM 655 CB THR A 42 5.715 14.462 -1.227 1.00 0.00 C ATOM 656 OG1 THR A 42 6.036 15.322 -0.125 1.00 0.00 O ATOM 657 CG2 THR A 42 4.248 14.636 -1.590 1.00 0.00 C ATOM 0 H THR A 42 7.996 13.639 -0.682 1.00 0.00 H new ATOM 0 HA THR A 42 5.453 12.757 0.065 1.00 0.00 H new ATOM 0 HB THR A 42 6.326 14.723 -2.091 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.851 16.252 -0.372 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.061 15.675 -1.859 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.004 13.993 -2.435 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.627 14.365 -0.736 1.00 0.00 H new ATOM 665 N GLU A 43 6.377 11.938 -2.990 1.00 0.00 N ATOM 666 CA GLU A 43 6.042 11.107 -4.140 1.00 0.00 C ATOM 667 C GLU A 43 5.788 9.665 -3.722 1.00 0.00 C ATOM 668 O GLU A 43 4.756 9.083 -4.056 1.00 0.00 O ATOM 669 CB GLU A 43 7.164 11.157 -5.178 1.00 0.00 C ATOM 670 CG GLU A 43 6.902 10.327 -6.428 1.00 0.00 C ATOM 671 CD GLU A 43 7.996 10.451 -7.451 1.00 0.00 C ATOM 672 OE1 GLU A 43 8.904 11.217 -7.234 1.00 0.00 O ATOM 673 OE2 GLU A 43 7.925 9.777 -8.452 1.00 0.00 O ATOM 0 H GLU A 43 7.288 12.393 -3.050 1.00 0.00 H new ATOM 0 HA GLU A 43 5.127 11.502 -4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.324 12.194 -5.472 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.088 10.811 -4.714 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.792 9.280 -6.146 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.957 10.639 -6.874 1.00 0.00 H new ATOM 680 N LYS A 44 6.737 9.091 -2.987 1.00 0.00 N ATOM 681 CA LYS A 44 6.627 7.709 -2.540 1.00 0.00 C ATOM 682 C LYS A 44 5.543 7.555 -1.483 1.00 0.00 C ATOM 683 O LYS A 44 4.868 6.527 -1.415 1.00 0.00 O ATOM 684 CB LYS A 44 7.967 7.215 -1.993 1.00 0.00 C ATOM 685 CG LYS A 44 9.091 7.177 -3.023 1.00 0.00 C ATOM 686 CD LYS A 44 8.723 6.302 -4.211 1.00 0.00 C ATOM 687 CE LYS A 44 8.749 4.826 -3.842 1.00 0.00 C ATOM 688 NZ LYS A 44 8.474 3.954 -5.016 1.00 0.00 N ATOM 0 H LYS A 44 7.591 9.563 -2.689 1.00 0.00 H new ATOM 0 HA LYS A 44 6.350 7.102 -3.402 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.269 7.859 -1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.832 6.214 -1.583 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.306 8.189 -3.367 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.001 6.798 -2.558 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.730 6.572 -4.570 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.418 6.486 -5.030 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.723 4.574 -3.423 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.009 4.633 -3.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.501 2.957 -4.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.534 4.176 -5.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.195 4.119 -5.747 1.00 0.00 H new ATOM 702 N PHE A 45 5.378 8.583 -0.658 1.00 0.00 N ATOM 703 CA PHE A 45 4.318 8.601 0.343 1.00 0.00 C ATOM 704 C PHE A 45 2.942 8.550 -0.310 1.00 0.00 C ATOM 705 O PHE A 45 2.042 7.863 0.172 1.00 0.00 O ATOM 706 CB PHE A 45 4.427 9.854 1.215 1.00 0.00 C ATOM 707 CG PHE A 45 3.537 9.829 2.425 1.00 0.00 C ATOM 708 CD1 PHE A 45 2.264 10.374 2.378 1.00 0.00 C ATOM 709 CD2 PHE A 45 3.972 9.261 3.613 1.00 0.00 C ATOM 710 CE1 PHE A 45 1.443 10.352 3.492 1.00 0.00 C ATOM 711 CE2 PHE A 45 3.156 9.235 4.726 1.00 0.00 C ATOM 712 CZ PHE A 45 1.889 9.783 4.664 1.00 0.00 C ATOM 0 H PHE A 45 5.966 9.416 -0.663 1.00 0.00 H new ATOM 0 HA PHE A 45 4.438 7.716 0.968 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.461 9.972 1.538 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.180 10.728 0.612 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.908 10.821 1.462 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.962 8.833 3.668 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.453 10.781 3.442 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.507 8.787 5.644 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.249 9.765 5.534 1.00 0.00 H new ATOM 722 N LYS A 46 2.788 9.279 -1.410 1.00 0.00 N ATOM 723 CA LYS A 46 1.550 9.252 -2.179 1.00 0.00 C ATOM 724 C LYS A 46 1.291 7.867 -2.757 1.00 0.00 C ATOM 725 O LYS A 46 0.164 7.372 -2.726 1.00 0.00 O ATOM 726 CB LYS A 46 1.593 10.291 -3.302 1.00 0.00 C ATOM 727 CG LYS A 46 0.320 10.373 -4.132 1.00 0.00 C ATOM 728 CD LYS A 46 0.411 11.477 -5.174 1.00 0.00 C ATOM 729 CE LYS A 46 -0.853 11.547 -6.019 1.00 0.00 C ATOM 730 NZ LYS A 46 -0.778 12.623 -7.044 1.00 0.00 N ATOM 0 H LYS A 46 3.506 9.896 -1.789 1.00 0.00 H new ATOM 0 HA LYS A 46 0.732 9.497 -1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.792 11.270 -2.867 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.429 10.060 -3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.143 9.418 -4.626 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.532 10.557 -3.478 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.573 12.434 -4.679 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.272 11.301 -5.818 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.014 10.588 -6.511 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.713 11.722 -5.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.658 12.637 -7.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.650 13.542 -6.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.027 12.443 -7.678 1.00 0.00 H new ATOM 744 N GLU A 47 2.341 7.244 -3.283 1.00 0.00 N ATOM 745 CA GLU A 47 2.216 5.939 -3.920 1.00 0.00 C ATOM 746 C GLU A 47 1.690 4.896 -2.943 1.00 0.00 C ATOM 747 O GLU A 47 0.794 4.119 -3.272 1.00 0.00 O ATOM 748 CB GLU A 47 3.567 5.490 -4.481 1.00 0.00 C ATOM 749 CG GLU A 47 4.022 6.256 -5.715 1.00 0.00 C ATOM 750 CD GLU A 47 5.363 5.805 -6.224 1.00 0.00 C ATOM 751 OE1 GLU A 47 5.953 4.950 -5.608 1.00 0.00 O ATOM 752 OE2 GLU A 47 5.797 6.316 -7.229 1.00 0.00 O ATOM 0 H GLU A 47 3.288 7.623 -3.280 1.00 0.00 H new ATOM 0 HA GLU A 47 1.501 6.034 -4.737 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.323 5.597 -3.703 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.510 4.430 -4.727 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.280 6.136 -6.505 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.067 7.319 -5.480 1.00 0.00 H new ATOM 759 N ILE A 48 2.250 4.885 -1.738 1.00 0.00 N ATOM 760 CA ILE A 48 1.868 3.911 -0.724 1.00 0.00 C ATOM 761 C ILE A 48 0.500 4.235 -0.136 1.00 0.00 C ATOM 762 O ILE A 48 -0.201 3.351 0.358 1.00 0.00 O ATOM 763 CB ILE A 48 2.913 3.855 0.406 1.00 0.00 C ATOM 764 CG1 ILE A 48 2.986 5.200 1.133 1.00 0.00 C ATOM 765 CG2 ILE A 48 4.275 3.471 -0.149 1.00 0.00 C ATOM 766 CD1 ILE A 48 3.791 5.161 2.411 1.00 0.00 C ATOM 0 H ILE A 48 2.972 5.542 -1.440 1.00 0.00 H new ATOM 0 HA ILE A 48 1.818 2.938 -1.212 1.00 0.00 H new ATOM 0 HB ILE A 48 2.608 3.093 1.123 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.422 5.941 0.463 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.974 5.534 1.362 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.002 3.436 0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.212 2.491 -0.622 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.589 4.210 -0.886 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.796 6.151 2.868 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.344 4.445 3.101 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.814 4.859 2.187 1.00 0.00 H new ATOM 778 N SER A 49 0.125 5.508 -0.191 1.00 0.00 N ATOM 779 CA SER A 49 -1.200 5.937 0.245 1.00 0.00 C ATOM 780 C SER A 49 -2.275 5.479 -0.729 1.00 0.00 C ATOM 781 O SER A 49 -3.365 5.073 -0.322 1.00 0.00 O ATOM 782 CB SER A 49 -1.240 7.446 0.384 1.00 0.00 C ATOM 783 OG SER A 49 -0.415 7.876 1.432 1.00 0.00 O ATOM 0 H SER A 49 0.720 6.262 -0.534 1.00 0.00 H new ATOM 0 HA SER A 49 -1.400 5.479 1.214 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.920 7.909 -0.549 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.264 7.771 0.566 1.00 0.00 H new ATOM 0 HG SER A 49 0.513 7.918 1.121 1.00 0.00 H new ATOM 789 N GLU A 50 -1.965 5.543 -2.019 1.00 0.00 N ATOM 790 CA GLU A 50 -2.813 4.943 -3.043 1.00 0.00 C ATOM 791 C GLU A 50 -2.940 3.439 -2.840 1.00 0.00 C ATOM 792 O GLU A 50 -4.043 2.892 -2.852 1.00 0.00 O ATOM 793 CB GLU A 50 -2.253 5.233 -4.437 1.00 0.00 C ATOM 794 CG GLU A 50 -3.059 4.626 -5.576 1.00 0.00 C ATOM 795 CD GLU A 50 -2.476 4.927 -6.930 1.00 0.00 C ATOM 796 OE1 GLU A 50 -1.579 5.733 -7.004 1.00 0.00 O ATOM 797 OE2 GLU A 50 -2.928 4.351 -7.891 1.00 0.00 O ATOM 0 H GLU A 50 -1.131 6.005 -2.381 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.805 5.387 -2.956 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.203 6.313 -4.578 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.231 4.857 -4.490 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.113 3.546 -5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.081 5.004 -5.533 1.00 0.00 H new ATOM 804 N ALA A 51 -1.805 2.773 -2.653 1.00 0.00 N ATOM 805 CA ALA A 51 -1.792 1.338 -2.398 1.00 0.00 C ATOM 806 C ALA A 51 -2.641 0.985 -1.184 1.00 0.00 C ATOM 807 O ALA A 51 -3.431 0.042 -1.220 1.00 0.00 O ATOM 808 CB ALA A 51 -0.363 0.848 -2.204 1.00 0.00 C ATOM 0 H ALA A 51 -0.881 3.205 -2.673 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.223 0.839 -3.266 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.369 -0.225 -2.014 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.218 1.054 -3.103 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.086 1.364 -1.355 1.00 0.00 H new ATOM 814 N PHE A 52 -2.475 1.749 -0.109 1.00 0.00 N ATOM 815 CA PHE A 52 -3.235 1.527 1.115 1.00 0.00 C ATOM 816 C PHE A 52 -4.732 1.655 0.865 1.00 0.00 C ATOM 817 O PHE A 52 -5.505 0.750 1.180 1.00 0.00 O ATOM 818 CB PHE A 52 -2.806 2.517 2.197 1.00 0.00 C ATOM 819 CG PHE A 52 -3.636 2.445 3.448 1.00 0.00 C ATOM 820 CD1 PHE A 52 -3.578 1.332 4.273 1.00 0.00 C ATOM 821 CD2 PHE A 52 -4.479 3.489 3.799 1.00 0.00 C ATOM 822 CE1 PHE A 52 -4.342 1.265 5.423 1.00 0.00 C ATOM 823 CE2 PHE A 52 -5.242 3.425 4.949 1.00 0.00 C ATOM 824 CZ PHE A 52 -5.173 2.311 5.761 1.00 0.00 C ATOM 0 H PHE A 52 -1.819 2.529 -0.061 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.028 0.512 1.454 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.763 2.332 2.453 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.860 3.528 1.794 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.929 0.509 4.014 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.540 4.362 3.166 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.288 0.392 6.057 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.892 4.246 5.212 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.769 2.259 6.660 1.00 0.00 H new ATOM 834 N GLU A 53 -5.136 2.787 0.296 1.00 0.00 N ATOM 835 CA GLU A 53 -6.547 3.056 0.048 1.00 0.00 C ATOM 836 C GLU A 53 -7.206 1.903 -0.699 1.00 0.00 C ATOM 837 O GLU A 53 -8.277 1.435 -0.315 1.00 0.00 O ATOM 838 CB GLU A 53 -6.708 4.352 -0.753 1.00 0.00 C ATOM 839 CG GLU A 53 -8.120 4.602 -1.264 1.00 0.00 C ATOM 840 CD GLU A 53 -9.113 4.832 -0.158 1.00 0.00 C ATOM 841 OE1 GLU A 53 -8.703 5.217 0.910 1.00 0.00 O ATOM 842 OE2 GLU A 53 -10.282 4.622 -0.382 1.00 0.00 O ATOM 0 H GLU A 53 -4.506 3.532 -0.002 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.040 3.165 1.014 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.407 5.192 -0.127 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.026 4.327 -1.603 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.113 5.469 -1.925 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.441 3.748 -1.861 1.00 0.00 H new ATOM 849 N ILE A 54 -6.558 1.448 -1.766 1.00 0.00 N ATOM 850 CA ILE A 54 -7.096 0.372 -2.588 1.00 0.00 C ATOM 851 C ILE A 54 -7.125 -0.944 -1.821 1.00 0.00 C ATOM 852 O ILE A 54 -8.102 -1.692 -1.885 1.00 0.00 O ATOM 853 CB ILE A 54 -6.271 0.198 -3.875 1.00 0.00 C ATOM 854 CG1 ILE A 54 -6.451 1.411 -4.792 1.00 0.00 C ATOM 855 CG2 ILE A 54 -6.670 -1.082 -4.595 1.00 0.00 C ATOM 856 CD1 ILE A 54 -5.473 1.455 -5.945 1.00 0.00 C ATOM 0 H ILE A 54 -5.658 1.809 -2.082 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.117 0.647 -2.854 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.218 0.124 -3.604 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.466 1.407 -5.189 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.343 2.321 -4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.076 -1.189 -5.503 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.492 -1.937 -3.943 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.727 -1.038 -4.856 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.663 2.342 -6.549 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.455 1.491 -5.557 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.596 0.564 -6.560 1.00 0.00 H new ATOM 868 N LEU A 55 -6.048 -1.223 -1.095 1.00 0.00 N ATOM 869 CA LEU A 55 -5.897 -2.499 -0.405 1.00 0.00 C ATOM 870 C LEU A 55 -6.548 -2.461 0.971 1.00 0.00 C ATOM 871 O LEU A 55 -6.641 -3.483 1.653 1.00 0.00 O ATOM 872 CB LEU A 55 -4.412 -2.856 -0.266 1.00 0.00 C ATOM 873 CG LEU A 55 -3.649 -3.054 -1.582 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.179 -3.321 -1.282 1.00 0.00 C ATOM 875 CD2 LEU A 55 -4.267 -4.206 -2.359 1.00 0.00 C ATOM 0 H LEU A 55 -5.265 -0.581 -0.969 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.397 -3.262 -1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.919 -2.067 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.331 -3.771 0.321 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.717 -2.153 -2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.637 -3.462 -2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.758 -2.473 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.090 -4.220 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.725 -4.347 -3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.209 -5.118 -1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.311 -3.980 -2.576 1.00 0.00 H new ATOM 887 N ASN A 56 -6.998 -1.278 1.376 1.00 0.00 N ATOM 888 CA ASN A 56 -7.749 -1.127 2.616 1.00 0.00 C ATOM 889 C ASN A 56 -9.216 -1.488 2.418 1.00 0.00 C ATOM 890 O ASN A 56 -9.746 -2.369 3.097 1.00 0.00 O ATOM 891 CB ASN A 56 -7.615 0.286 3.152 1.00 0.00 C ATOM 892 CG ASN A 56 -8.286 0.464 4.486 1.00 0.00 C ATOM 893 OD1 ASN A 56 -7.981 -0.249 5.449 1.00 0.00 O ATOM 894 ND2 ASN A 56 -9.195 1.402 4.561 1.00 0.00 N ATOM 0 H ASN A 56 -6.855 -0.409 0.862 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.330 -1.817 3.348 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.558 0.537 3.244 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.047 0.985 2.436 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.684 1.569 5.440 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.414 1.966 3.740 1.00 0.00 H new ATOM 901 N ASP A 57 -9.869 -0.802 1.486 1.00 0.00 N ATOM 902 CA ASP A 57 -11.245 -1.121 1.122 1.00 0.00 C ATOM 903 C ASP A 57 -11.343 -2.514 0.512 1.00 0.00 C ATOM 904 O ASP A 57 -10.776 -2.779 -0.547 1.00 0.00 O ATOM 905 CB ASP A 57 -11.792 -0.085 0.138 1.00 0.00 C ATOM 906 CG ASP A 57 -13.261 -0.307 -0.197 1.00 0.00 C ATOM 907 OD1 ASP A 57 -13.754 -1.379 0.062 1.00 0.00 O ATOM 908 OD2 ASP A 57 -13.875 0.598 -0.711 1.00 0.00 O ATOM 0 H ASP A 57 -9.467 -0.021 0.968 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.843 -1.100 2.033 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.667 0.912 0.560 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.206 -0.118 -0.780 1.00 0.00 H new ATOM 913 N PRO A 58 -12.068 -3.399 1.188 1.00 0.00 N ATOM 914 CA PRO A 58 -12.197 -4.783 0.744 1.00 0.00 C ATOM 915 C PRO A 58 -12.636 -4.855 -0.711 1.00 0.00 C ATOM 916 O PRO A 58 -12.199 -5.730 -1.460 1.00 0.00 O ATOM 917 CB PRO A 58 -13.264 -5.349 1.686 1.00 0.00 C ATOM 918 CG PRO A 58 -13.073 -4.588 2.954 1.00 0.00 C ATOM 919 CD PRO A 58 -12.749 -3.188 2.506 1.00 0.00 C ATOM 0 HA PRO A 58 -11.260 -5.339 0.783 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -14.267 -5.207 1.283 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -13.132 -6.420 1.840 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -13.972 -4.610 3.570 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.266 -5.010 3.553 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -13.648 -2.580 2.402 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.100 -2.678 3.217 1.00 0.00 H new ATOM 927 N GLN A 59 -13.505 -3.931 -1.111 1.00 0.00 N ATOM 928 CA GLN A 59 -14.035 -3.913 -2.468 1.00 0.00 C ATOM 929 C GLN A 59 -12.956 -3.551 -3.477 1.00 0.00 C ATOM 930 O GLN A 59 -12.809 -4.208 -4.509 1.00 0.00 O ATOM 931 CB GLN A 59 -15.202 -2.927 -2.574 1.00 0.00 C ATOM 932 CG GLN A 59 -15.872 -2.899 -3.937 1.00 0.00 C ATOM 933 CD GLN A 59 -16.541 -4.215 -4.280 1.00 0.00 C ATOM 934 OE1 GLN A 59 -17.319 -4.758 -3.489 1.00 0.00 O ATOM 935 NE2 GLN A 59 -16.246 -4.739 -5.464 1.00 0.00 N ATOM 0 H GLN A 59 -13.857 -3.184 -0.512 1.00 0.00 H new ATOM 0 HA GLN A 59 -14.394 -4.916 -2.697 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -15.947 -3.181 -1.820 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -14.840 -1.926 -2.339 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -16.614 -2.101 -3.957 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -15.129 -2.663 -4.699 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -15.598 -4.258 -6.088 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -16.667 -5.623 -5.750 1.00 0.00 H new ATOM 944 N LYS A 60 -12.198 -2.503 -3.175 1.00 0.00 N ATOM 945 CA LYS A 60 -11.122 -2.057 -4.052 1.00 0.00 C ATOM 946 C LYS A 60 -9.989 -3.074 -4.094 1.00 0.00 C ATOM 947 O LYS A 60 -9.386 -3.305 -5.143 1.00 0.00 O ATOM 948 CB LYS A 60 -10.589 -0.697 -3.597 1.00 0.00 C ATOM 949 CG LYS A 60 -11.567 0.455 -3.782 1.00 0.00 C ATOM 950 CD LYS A 60 -10.971 1.770 -3.304 1.00 0.00 C ATOM 951 CE LYS A 60 -11.975 2.908 -3.413 1.00 0.00 C ATOM 952 NZ LYS A 60 -11.390 4.209 -2.988 1.00 0.00 N ATOM 0 H LYS A 60 -12.309 -1.946 -2.328 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.531 -1.959 -5.058 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.317 -0.761 -2.543 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.676 -0.475 -4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.839 0.538 -4.834 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.484 0.248 -3.231 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.645 1.668 -2.269 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.086 2.006 -3.895 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.324 2.986 -4.443 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.846 2.684 -2.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.111 4.955 -3.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.064 4.138 -2.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.585 4.445 -3.603 1.00 0.00 H new ATOM 966 N ARG A 61 -9.703 -3.683 -2.948 1.00 0.00 N ATOM 967 CA ARG A 61 -8.659 -4.697 -2.859 1.00 0.00 C ATOM 968 C ARG A 61 -8.966 -5.883 -3.764 1.00 0.00 C ATOM 969 O ARG A 61 -8.107 -6.338 -4.518 1.00 0.00 O ATOM 970 CB ARG A 61 -8.507 -5.184 -1.425 1.00 0.00 C ATOM 971 CG ARG A 61 -7.450 -6.257 -1.223 1.00 0.00 C ATOM 972 CD ARG A 61 -7.486 -6.811 0.156 1.00 0.00 C ATOM 973 NE ARG A 61 -8.811 -7.289 0.515 1.00 0.00 N ATOM 974 CZ ARG A 61 -9.402 -8.376 -0.017 1.00 0.00 C ATOM 975 NH1 ARG A 61 -8.775 -9.085 -0.929 1.00 0.00 N ATOM 976 NH2 ARG A 61 -10.614 -8.728 0.376 1.00 0.00 N ATOM 0 H ARG A 61 -10.180 -3.492 -2.067 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.726 -4.237 -3.186 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.264 -4.331 -0.791 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.467 -5.572 -1.084 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.605 -7.061 -1.942 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.463 -5.838 -1.421 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.771 -7.630 0.237 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.173 -6.043 0.864 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.330 -6.764 1.219 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.841 -8.812 -1.234 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.223 -9.908 -1.332 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.101 -8.176 1.082 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.062 -9.551 -0.027 1.00 0.00 H new ATOM 990 N GLU A 62 -10.196 -6.380 -3.684 1.00 0.00 N ATOM 991 CA GLU A 62 -10.618 -7.515 -4.496 1.00 0.00 C ATOM 992 C GLU A 62 -10.530 -7.192 -5.982 1.00 0.00 C ATOM 993 O GLU A 62 -10.119 -8.029 -6.786 1.00 0.00 O ATOM 994 CB GLU A 62 -12.047 -7.926 -4.137 1.00 0.00 C ATOM 995 CG GLU A 62 -12.173 -8.678 -2.819 1.00 0.00 C ATOM 996 CD GLU A 62 -11.555 -10.046 -2.866 1.00 0.00 C ATOM 997 OE1 GLU A 62 -11.563 -10.646 -3.914 1.00 0.00 O ATOM 998 OE2 GLU A 62 -11.074 -10.493 -1.852 1.00 0.00 O ATOM 0 H GLU A 62 -10.919 -6.014 -3.064 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.943 -8.345 -4.285 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.669 -7.032 -4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.444 -8.551 -4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.698 -8.097 -2.028 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -13.227 -8.770 -2.558 1.00 0.00 H new ATOM 1005 N ILE A 63 -10.920 -5.973 -6.341 1.00 0.00 N ATOM 1006 CA ILE A 63 -10.827 -5.515 -7.723 1.00 0.00 C ATOM 1007 C ILE A 63 -9.382 -5.517 -8.206 1.00 0.00 C ATOM 1008 O ILE A 63 -9.090 -5.961 -9.317 1.00 0.00 O ATOM 1009 CB ILE A 63 -11.417 -4.101 -7.874 1.00 0.00 C ATOM 1010 CG1 ILE A 63 -12.933 -4.131 -7.661 1.00 0.00 C ATOM 1011 CG2 ILE A 63 -11.079 -3.527 -9.241 1.00 0.00 C ATOM 1012 CD1 ILE A 63 -13.553 -2.763 -7.494 1.00 0.00 C ATOM 0 H ILE A 63 -11.304 -5.284 -5.694 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.404 -6.209 -8.335 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.975 -3.457 -7.114 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.400 -4.630 -8.510 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.155 -4.730 -6.778 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.504 -2.527 -9.331 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.996 -3.473 -9.355 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.494 -4.169 -10.018 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -14.628 -2.866 -7.348 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.115 -2.268 -6.627 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -13.364 -2.166 -8.386 1.00 0.00 H new ATOM 1024 N TYR A 64 -8.481 -5.017 -7.368 1.00 0.00 N ATOM 1025 CA TYR A 64 -7.055 -5.040 -7.671 1.00 0.00 C ATOM 1026 C TYR A 64 -6.541 -6.468 -7.795 1.00 0.00 C ATOM 1027 O TYR A 64 -5.873 -6.815 -8.769 1.00 0.00 O ATOM 1028 CB TYR A 64 -6.268 -4.283 -6.600 1.00 0.00 C ATOM 1029 CG TYR A 64 -4.768 -4.343 -6.789 1.00 0.00 C ATOM 1030 CD1 TYR A 64 -4.168 -3.614 -7.805 1.00 0.00 C ATOM 1031 CD2 TYR A 64 -3.993 -5.125 -5.946 1.00 0.00 C ATOM 1032 CE1 TYR A 64 -2.797 -3.669 -7.977 1.00 0.00 C ATOM 1033 CE2 TYR A 64 -2.623 -5.180 -6.119 1.00 0.00 C ATOM 1034 CZ TYR A 64 -2.027 -4.456 -7.129 1.00 0.00 C ATOM 1035 OH TYR A 64 -0.662 -4.510 -7.301 1.00 0.00 O ATOM 0 H TYR A 64 -8.714 -4.590 -6.471 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.909 -4.544 -8.631 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.584 -3.240 -6.600 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.518 -4.692 -5.621 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.771 -3.004 -8.461 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.460 -5.691 -5.154 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.327 -3.103 -8.767 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.020 -5.790 -5.463 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.445 -4.363 -8.245 1.00 0.00 H new ATOM 1045 N ASP A 65 -6.856 -7.293 -6.802 1.00 0.00 N ATOM 1046 CA ASP A 65 -6.354 -8.661 -6.754 1.00 0.00 C ATOM 1047 C ASP A 65 -6.831 -9.464 -7.957 1.00 0.00 C ATOM 1048 O ASP A 65 -6.104 -10.310 -8.479 1.00 0.00 O ATOM 1049 CB ASP A 65 -6.800 -9.351 -5.463 1.00 0.00 C ATOM 1050 CG ASP A 65 -6.163 -8.749 -4.218 1.00 0.00 C ATOM 1051 OD1 ASP A 65 -5.198 -8.033 -4.355 1.00 0.00 O ATOM 1052 OD2 ASP A 65 -6.645 -9.009 -3.142 1.00 0.00 O ATOM 0 H ASP A 65 -7.457 -7.037 -6.019 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.265 -8.615 -6.778 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.885 -9.285 -5.378 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.548 -10.410 -5.518 1.00 0.00 H new ATOM 1057 N GLN A 66 -8.057 -9.195 -8.395 1.00 0.00 N ATOM 1058 CA GLN A 66 -8.676 -9.969 -9.464 1.00 0.00 C ATOM 1059 C GLN A 66 -8.323 -9.399 -10.832 1.00 0.00 C ATOM 1060 O GLN A 66 -8.050 -10.142 -11.774 1.00 0.00 O ATOM 1061 CB GLN A 66 -10.196 -10.004 -9.289 1.00 0.00 C ATOM 1062 CG GLN A 66 -10.665 -10.795 -8.080 1.00 0.00 C ATOM 1063 CD GLN A 66 -12.170 -10.747 -7.905 1.00 0.00 C ATOM 1064 OE1 GLN A 66 -12.923 -10.749 -8.883 1.00 0.00 O ATOM 1065 NE2 GLN A 66 -12.619 -10.706 -6.656 1.00 0.00 N ATOM 0 H GLN A 66 -8.642 -8.446 -8.025 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.288 -10.986 -9.406 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -10.565 -8.982 -9.206 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.644 -10.432 -10.186 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -10.347 -11.833 -8.183 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.185 -10.402 -7.184 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.960 -10.706 -5.877 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.622 -10.675 -6.476 1.00 0.00 H new ATOM 1074 N TYR A 67 -8.331 -8.073 -10.935 1.00 0.00 N ATOM 1075 CA TYR A 67 -8.303 -7.405 -12.230 1.00 0.00 C ATOM 1076 C TYR A 67 -7.020 -6.605 -12.410 1.00 0.00 C ATOM 1077 O TYR A 67 -6.366 -6.689 -13.450 1.00 0.00 O ATOM 1078 CB TYR A 67 -9.523 -6.495 -12.388 1.00 0.00 C ATOM 1079 CG TYR A 67 -10.846 -7.223 -12.290 1.00 0.00 C ATOM 1080 CD1 TYR A 67 -11.195 -8.160 -13.252 1.00 0.00 C ATOM 1081 CD2 TYR A 67 -11.709 -6.955 -11.239 1.00 0.00 C ATOM 1082 CE1 TYR A 67 -12.401 -8.826 -13.161 1.00 0.00 C ATOM 1083 CE2 TYR A 67 -12.917 -7.619 -11.149 1.00 0.00 C ATOM 1084 CZ TYR A 67 -13.264 -8.552 -12.105 1.00 0.00 C ATOM 1085 OH TYR A 67 -14.466 -9.213 -12.016 1.00 0.00 O ATOM 0 H TYR A 67 -8.357 -7.440 -10.135 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.333 -8.172 -13.004 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -9.488 -5.720 -11.622 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -9.467 -5.992 -13.353 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -10.523 -8.368 -14.072 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -11.437 -6.226 -10.490 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -12.673 -9.557 -13.907 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.590 -7.408 -10.331 1.00 0.00 H new ATOM 0 HH TYR A 67 -14.949 -8.907 -11.220 1.00 0.00 H new ATOM 1095 N GLY A 68 -6.665 -5.828 -11.393 1.00 0.00 N ATOM 1096 CA GLY A 68 -5.406 -5.095 -11.392 1.00 0.00 C ATOM 1097 C GLY A 68 -5.623 -3.626 -11.047 1.00 0.00 C ATOM 1098 O GLY A 68 -6.738 -3.211 -10.733 1.00 0.00 O ATOM 0 H GLY A 68 -7.233 -5.690 -10.557 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.722 -5.543 -10.671 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.935 -5.175 -12.372 1.00 0.00 H new ATOM 1102 N LEU A 69 -4.550 -2.844 -11.108 1.00 0.00 N ATOM 1103 CA LEU A 69 -4.584 -1.461 -10.652 1.00 0.00 C ATOM 1104 C LEU A 69 -5.522 -0.622 -11.512 1.00 0.00 C ATOM 1105 O LEU A 69 -6.365 0.112 -10.993 1.00 0.00 O ATOM 1106 CB LEU A 69 -3.174 -0.857 -10.684 1.00 0.00 C ATOM 1107 CG LEU A 69 -3.075 0.621 -10.283 1.00 0.00 C ATOM 1108 CD1 LEU A 69 -3.597 0.799 -8.863 1.00 0.00 C ATOM 1109 CD2 LEU A 69 -1.628 1.081 -10.396 1.00 0.00 C ATOM 0 H LEU A 69 -3.645 -3.146 -11.470 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.957 -1.455 -9.628 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.534 -1.438 -10.020 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.773 -0.969 -11.691 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.683 1.230 -10.951 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.527 1.849 -8.578 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.638 0.479 -8.815 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.001 0.197 -8.178 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.557 2.131 -10.111 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.003 0.482 -9.734 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.287 0.960 -11.424 1.00 0.00 H new ATOM 1121 N GLU A 70 -5.370 -0.733 -12.827 1.00 0.00 N ATOM 1122 CA GLU A 70 -6.210 0.007 -13.760 1.00 0.00 C ATOM 1123 C GLU A 70 -7.687 -0.156 -13.422 1.00 0.00 C ATOM 1124 O GLU A 70 -8.436 0.819 -13.379 1.00 0.00 O ATOM 1125 CB GLU A 70 -5.951 -0.457 -15.195 1.00 0.00 C ATOM 1126 CG GLU A 70 -6.760 0.282 -16.252 1.00 0.00 C ATOM 1127 CD GLU A 70 -6.449 -0.171 -17.650 1.00 0.00 C ATOM 1128 OE1 GLU A 70 -5.594 -1.010 -17.807 1.00 0.00 O ATOM 1129 OE2 GLU A 70 -7.069 0.319 -18.564 1.00 0.00 O ATOM 0 H GLU A 70 -4.672 -1.329 -13.271 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.953 1.063 -13.673 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.891 -0.336 -15.417 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.172 -1.522 -15.265 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.822 0.136 -16.056 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.564 1.351 -16.170 1.00 0.00 H new ATOM 1136 N ALA A 71 -8.100 -1.397 -13.183 1.00 0.00 N ATOM 1137 CA ALA A 71 -9.477 -1.686 -12.803 1.00 0.00 C ATOM 1138 C ALA A 71 -9.811 -1.089 -11.443 1.00 0.00 C ATOM 1139 O ALA A 71 -10.900 -0.551 -11.240 1.00 0.00 O ATOM 1140 CB ALA A 71 -9.720 -3.188 -12.795 1.00 0.00 C ATOM 0 H ALA A 71 -7.499 -2.219 -13.246 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.133 -1.226 -13.542 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.753 -3.388 -12.509 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.534 -3.592 -13.790 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.048 -3.662 -12.080 1.00 0.00 H new ATOM 1146 N ALA A 72 -8.865 -1.183 -10.513 1.00 0.00 N ATOM 1147 CA ALA A 72 -9.064 -0.667 -9.164 1.00 0.00 C ATOM 1148 C ALA A 72 -9.280 0.841 -9.177 1.00 0.00 C ATOM 1149 O ALA A 72 -10.081 1.370 -8.407 1.00 0.00 O ATOM 1150 CB ALA A 72 -7.877 -1.024 -8.280 1.00 0.00 C ATOM 0 H ALA A 72 -7.953 -1.612 -10.670 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.961 -1.132 -8.755 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.040 -0.632 -7.276 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.771 -2.108 -8.234 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.969 -0.588 -8.697 1.00 0.00 H new