USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 679 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 36 THR OG1 : rot -160:sc= -0.84 USER MOD Set 1.2: A 43 GLN : amide:sc= -11.2! C(o=-13!,f=-17!) USER MOD Set 1.3: A 74 MET CE :methyl 177:sc= -0.555 (180deg=-0.299) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= 0 (180deg=-0.249) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0.391 X(o=0.39,f=-0.044) USER MOD Single : A 14 TYR OH : rot 30:sc= -0.0172 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.09! USER MOD Single : A 29 LYS NZ :NH3+ 148:sc= -2.33 (180deg=-5.85!) USER MOD Single : A 30 GLN : amide:sc= -0.762 K(o=-0.76,f=-2.4!) USER MOD Single : A 33 LYS NZ :NH3+ -133:sc= 0.662 (180deg=-4.6!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.487 F(o=-2.2,f=-0.49) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 161:sc= -0.224 (180deg=-1.01!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.382 X(o=-0.38,f=-0.11) USER MOD Single : A 70 THR OG1 : rot -164:sc= -0.563 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.363 0.377 -0.415 1.00 0.00 N ATOM 2 CA MET A 1 2.189 0.292 -1.614 1.00 0.00 C ATOM 3 C MET A 1 2.430 -1.163 -2.006 1.00 0.00 C ATOM 4 O MET A 1 2.340 -2.063 -1.172 1.00 0.00 O ATOM 5 CB MET A 1 3.527 1.000 -1.389 1.00 0.00 C ATOM 6 CG MET A 1 3.387 2.381 -0.771 1.00 0.00 C ATOM 7 SD MET A 1 4.902 3.352 -0.889 1.00 0.00 S ATOM 8 CE MET A 1 5.671 2.972 0.683 1.00 0.00 C ATOM 0 H1 MET A 1 0.988 1.342 -0.319 1.00 0.00 H new ATOM 0 H2 MET A 1 0.573 -0.295 -0.489 1.00 0.00 H new ATOM 0 H3 MET A 1 1.938 0.145 0.420 1.00 0.00 H new ATOM 0 HA MET A 1 1.657 0.786 -2.427 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.151 0.383 -0.742 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.047 1.089 -2.343 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.577 2.916 -1.267 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.106 2.279 0.277 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.621 3.500 0.760 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.014 3.286 1.495 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.846 1.898 0.752 1.00 0.00 H new ATOM 18 N ALA A 2 2.736 -1.385 -3.280 1.00 0.00 N ATOM 19 CA ALA A 2 2.992 -2.730 -3.781 1.00 0.00 C ATOM 20 C ALA A 2 4.457 -2.903 -4.167 1.00 0.00 C ATOM 21 O ALA A 2 5.059 -2.015 -4.773 1.00 0.00 O ATOM 22 CB ALA A 2 2.091 -3.029 -4.970 1.00 0.00 C ATOM 0 H ALA A 2 2.813 -0.651 -3.984 1.00 0.00 H new ATOM 0 HA ALA A 2 2.769 -3.438 -2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 2 2.292 -4.036 -5.335 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.048 -2.956 -4.663 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.287 -2.309 -5.765 1.00 0.00 H new ATOM 28 N LEU A 3 5.025 -4.050 -3.813 1.00 0.00 N ATOM 29 CA LEU A 3 6.421 -4.339 -4.121 1.00 0.00 C ATOM 30 C LEU A 3 6.530 -5.439 -5.173 1.00 0.00 C ATOM 31 O LEU A 3 6.140 -6.585 -4.950 1.00 0.00 O ATOM 32 CB LEU A 3 7.169 -4.754 -2.853 1.00 0.00 C ATOM 33 CG LEU A 3 7.691 -3.614 -1.978 1.00 0.00 C ATOM 34 CD1 LEU A 3 8.866 -2.920 -2.649 1.00 0.00 C ATOM 35 CD2 LEU A 3 6.579 -2.617 -1.682 1.00 0.00 C ATOM 0 H LEU A 3 4.541 -4.795 -3.312 1.00 0.00 H new ATOM 0 HA LEU A 3 6.874 -3.432 -4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.505 -5.373 -2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.014 -5.380 -3.142 1.00 0.00 H new ATOM 0 HG LEU A 3 8.036 -4.035 -1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.224 -2.112 -2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.670 -3.639 -2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.548 -2.512 -3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.968 -1.812 -1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.204 -2.202 -2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.767 -3.122 -1.158 1.00 0.00 H new ATOM 47 N PRO A 4 7.074 -5.084 -6.346 1.00 0.00 N ATOM 48 CA PRO A 4 7.249 -6.028 -7.455 1.00 0.00 C ATOM 49 C PRO A 4 8.320 -7.073 -7.162 1.00 0.00 C ATOM 50 O PRO A 4 9.207 -6.853 -6.337 1.00 0.00 O ATOM 51 CB PRO A 4 7.681 -5.132 -8.618 1.00 0.00 C ATOM 52 CG PRO A 4 8.306 -3.944 -7.971 1.00 0.00 C ATOM 53 CD PRO A 4 7.561 -3.736 -6.681 1.00 0.00 C ATOM 0 HA PRO A 4 6.341 -6.598 -7.652 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.388 -5.644 -9.271 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.829 -4.845 -9.234 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.367 -4.113 -7.786 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.230 -3.065 -8.612 1.00 0.00 H new ATOM 0 HD2 PRO A 4 8.211 -3.339 -5.901 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.739 -3.030 -6.801 1.00 0.00 H new ATOM 61 N ILE A 5 8.232 -8.210 -7.844 1.00 0.00 N ATOM 62 CA ILE A 5 9.195 -9.288 -7.657 1.00 0.00 C ATOM 63 C ILE A 5 9.388 -10.082 -8.945 1.00 0.00 C ATOM 64 O ILE A 5 8.420 -10.525 -9.564 1.00 0.00 O ATOM 65 CB ILE A 5 8.755 -10.249 -6.537 1.00 0.00 C ATOM 66 CG1 ILE A 5 9.041 -9.633 -5.166 1.00 0.00 C ATOM 67 CG2 ILE A 5 9.461 -11.589 -6.680 1.00 0.00 C ATOM 68 CD1 ILE A 5 9.613 -10.617 -4.169 1.00 0.00 C ATOM 0 H ILE A 5 7.504 -8.408 -8.531 1.00 0.00 H new ATOM 0 HA ILE A 5 10.139 -8.822 -7.374 1.00 0.00 H new ATOM 0 HB ILE A 5 7.681 -10.416 -6.623 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.738 -8.804 -5.287 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.118 -9.216 -4.764 1.00 0.00 H new ATOM 0 HG21 ILE A 5 9.139 -12.257 -5.881 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.211 -12.031 -7.645 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.539 -11.441 -6.617 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.791 -10.111 -3.220 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.907 -11.434 -4.018 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.553 -11.015 -4.550 1.00 0.00 H new ATOM 80 N ILE A 6 10.643 -10.259 -9.342 1.00 0.00 N ATOM 81 CA ILE A 6 10.963 -11.002 -10.555 1.00 0.00 C ATOM 82 C ILE A 6 11.301 -12.455 -10.236 1.00 0.00 C ATOM 83 O ILE A 6 12.095 -12.737 -9.339 1.00 0.00 O ATOM 84 CB ILE A 6 12.145 -10.366 -11.310 1.00 0.00 C ATOM 85 CG1 ILE A 6 11.770 -8.966 -11.802 1.00 0.00 C ATOM 86 CG2 ILE A 6 12.565 -11.248 -12.476 1.00 0.00 C ATOM 87 CD1 ILE A 6 12.947 -8.020 -11.887 1.00 0.00 C ATOM 0 H ILE A 6 11.455 -9.898 -8.842 1.00 0.00 H new ATOM 0 HA ILE A 6 10.077 -10.968 -11.189 1.00 0.00 H new ATOM 0 HB ILE A 6 12.988 -10.277 -10.625 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.308 -9.047 -12.786 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.022 -8.543 -11.132 1.00 0.00 H new ATOM 0 HG21 ILE A 6 13.401 -10.785 -13.000 1.00 0.00 H new ATOM 0 HG22 ILE A 6 12.868 -12.226 -12.102 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.727 -11.366 -13.163 1.00 0.00 H new ATOM 0 HD11 ILE A 6 12.607 -7.047 -12.243 1.00 0.00 H new ATOM 0 HD12 ILE A 6 13.396 -7.909 -10.900 1.00 0.00 H new ATOM 0 HD13 ILE A 6 13.687 -8.421 -12.580 1.00 0.00 H new ATOM 99 N VAL A 7 10.694 -13.375 -10.980 1.00 0.00 N ATOM 100 CA VAL A 7 10.932 -14.799 -10.779 1.00 0.00 C ATOM 101 C VAL A 7 11.631 -15.415 -11.986 1.00 0.00 C ATOM 102 O VAL A 7 11.369 -15.038 -13.128 1.00 0.00 O ATOM 103 CB VAL A 7 9.617 -15.557 -10.519 1.00 0.00 C ATOM 104 CG1 VAL A 7 8.912 -15.869 -11.831 1.00 0.00 C ATOM 105 CG2 VAL A 7 9.883 -16.831 -9.732 1.00 0.00 C ATOM 0 H VAL A 7 10.034 -13.159 -11.727 1.00 0.00 H new ATOM 0 HA VAL A 7 11.575 -14.892 -9.904 1.00 0.00 H new ATOM 0 HB VAL A 7 8.962 -14.920 -9.924 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.985 -16.405 -11.627 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.687 -14.939 -12.353 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.559 -16.487 -12.454 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.943 -17.354 -9.557 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.556 -17.475 -10.298 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.341 -16.579 -8.776 1.00 0.00 H new ATOM 115 N LYS A 8 12.522 -16.365 -11.726 1.00 0.00 N ATOM 116 CA LYS A 8 13.259 -17.036 -12.790 1.00 0.00 C ATOM 117 C LYS A 8 13.002 -18.539 -12.766 1.00 0.00 C ATOM 118 O LYS A 8 13.283 -19.211 -11.773 1.00 0.00 O ATOM 119 CB LYS A 8 14.758 -16.762 -12.651 1.00 0.00 C ATOM 120 CG LYS A 8 15.475 -16.609 -13.982 1.00 0.00 C ATOM 121 CD LYS A 8 16.760 -15.812 -13.835 1.00 0.00 C ATOM 122 CE LYS A 8 16.538 -14.337 -14.132 1.00 0.00 C ATOM 123 NZ LYS A 8 17.796 -13.661 -14.553 1.00 0.00 N ATOM 0 H LYS A 8 12.752 -16.688 -10.786 1.00 0.00 H new ATOM 0 HA LYS A 8 12.910 -16.641 -13.744 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.900 -15.854 -12.065 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.217 -17.577 -12.092 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.702 -17.594 -14.390 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.817 -16.112 -14.696 1.00 0.00 H new ATOM 0 HD2 LYS A 8 17.146 -15.926 -12.822 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.516 -16.211 -14.511 1.00 0.00 H new ATOM 0 HE2 LYS A 8 15.790 -14.233 -14.918 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.140 -13.844 -13.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.603 -12.658 -14.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 18.502 -13.738 -13.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 18.163 -14.115 -15.414 1.00 0.00 H new ATOM 137 N TRP A 9 12.467 -19.060 -13.864 1.00 0.00 N ATOM 138 CA TRP A 9 12.173 -20.485 -13.969 1.00 0.00 C ATOM 139 C TRP A 9 12.387 -20.982 -15.394 1.00 0.00 C ATOM 140 O TRP A 9 11.792 -20.464 -16.338 1.00 0.00 O ATOM 141 CB TRP A 9 10.735 -20.764 -13.529 1.00 0.00 C ATOM 142 CG TRP A 9 10.253 -22.133 -13.904 1.00 0.00 C ATOM 143 CD1 TRP A 9 9.125 -22.440 -14.609 1.00 0.00 C ATOM 144 CD2 TRP A 9 10.886 -23.379 -13.593 1.00 0.00 C ATOM 145 NE1 TRP A 9 9.017 -23.802 -14.755 1.00 0.00 N ATOM 146 CE2 TRP A 9 10.086 -24.400 -14.141 1.00 0.00 C ATOM 147 CE3 TRP A 9 12.051 -23.731 -12.907 1.00 0.00 C ATOM 148 CZ2 TRP A 9 10.415 -25.748 -14.022 1.00 0.00 C ATOM 149 CZ3 TRP A 9 12.376 -25.069 -12.789 1.00 0.00 C ATOM 150 CH2 TRP A 9 11.562 -26.064 -13.345 1.00 0.00 C ATOM 0 H TRP A 9 12.228 -18.518 -14.694 1.00 0.00 H new ATOM 0 HA TRP A 9 12.857 -21.021 -13.311 1.00 0.00 H new ATOM 0 HB2 TRP A 9 10.664 -20.645 -12.448 1.00 0.00 H new ATOM 0 HB3 TRP A 9 10.075 -20.020 -13.975 1.00 0.00 H new ATOM 0 HD1 TRP A 9 8.421 -21.718 -14.995 1.00 0.00 H new ATOM 0 HE1 TRP A 9 8.264 -24.289 -15.241 1.00 0.00 H new ATOM 0 HE3 TRP A 9 12.686 -22.971 -12.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 9.788 -26.517 -14.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 13.273 -25.352 -12.259 1.00 0.00 H new ATOM 0 HH2 TRP A 9 11.845 -27.101 -13.237 1.00 0.00 H new ATOM 161 N GLY A 10 13.241 -21.990 -15.543 1.00 0.00 N ATOM 162 CA GLY A 10 13.518 -22.540 -16.857 1.00 0.00 C ATOM 163 C GLY A 10 13.991 -21.486 -17.839 1.00 0.00 C ATOM 164 O GLY A 10 13.689 -21.556 -19.029 1.00 0.00 O ATOM 0 H GLY A 10 13.746 -22.436 -14.777 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.277 -23.317 -16.769 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.618 -23.016 -17.245 1.00 0.00 H new ATOM 168 N GLY A 11 14.734 -20.504 -17.338 1.00 0.00 N ATOM 169 CA GLY A 11 15.236 -19.444 -18.192 1.00 0.00 C ATOM 170 C GLY A 11 14.193 -18.380 -18.469 1.00 0.00 C ATOM 171 O GLY A 11 14.464 -17.403 -19.168 1.00 0.00 O ATOM 0 H GLY A 11 14.997 -20.424 -16.356 1.00 0.00 H new ATOM 0 HA2 GLY A 11 16.105 -18.983 -17.722 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.574 -19.871 -19.136 1.00 0.00 H new ATOM 175 N GLN A 12 12.996 -18.570 -17.922 1.00 0.00 N ATOM 176 CA GLN A 12 11.908 -17.619 -18.117 1.00 0.00 C ATOM 177 C GLN A 12 11.949 -16.520 -17.059 1.00 0.00 C ATOM 178 O GLN A 12 12.556 -16.687 -16.002 1.00 0.00 O ATOM 179 CB GLN A 12 10.559 -18.338 -18.069 1.00 0.00 C ATOM 180 CG GLN A 12 10.475 -19.536 -19.003 1.00 0.00 C ATOM 181 CD GLN A 12 10.974 -19.223 -20.399 1.00 0.00 C ATOM 182 OE1 GLN A 12 10.494 -18.294 -21.049 1.00 0.00 O ATOM 183 NE2 GLN A 12 11.944 -19.999 -20.869 1.00 0.00 N ATOM 0 H GLN A 12 12.756 -19.373 -17.341 1.00 0.00 H new ATOM 0 HA GLN A 12 12.033 -17.160 -19.098 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.369 -18.670 -17.048 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.770 -17.631 -18.326 1.00 0.00 H new ATOM 0 HG2 GLN A 12 11.059 -20.357 -18.588 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.441 -19.877 -19.059 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.313 -20.758 -20.296 1.00 0.00 H new ATOM 0 HE22 GLN A 12 12.320 -19.836 -21.803 1.00 0.00 H new ATOM 192 N GLU A 13 11.300 -15.398 -17.353 1.00 0.00 N ATOM 193 CA GLU A 13 11.264 -14.272 -16.428 1.00 0.00 C ATOM 194 C GLU A 13 9.840 -13.749 -16.262 1.00 0.00 C ATOM 195 O GLU A 13 9.168 -13.428 -17.242 1.00 0.00 O ATOM 196 CB GLU A 13 12.178 -13.149 -16.920 1.00 0.00 C ATOM 197 CG GLU A 13 13.529 -13.113 -16.225 1.00 0.00 C ATOM 198 CD GLU A 13 14.623 -12.540 -17.104 1.00 0.00 C ATOM 199 OE1 GLU A 13 14.661 -12.884 -18.304 1.00 0.00 O ATOM 200 OE2 GLU A 13 15.441 -11.747 -16.593 1.00 0.00 O ATOM 0 H GLU A 13 10.792 -15.245 -18.224 1.00 0.00 H new ATOM 0 HA GLU A 13 11.620 -14.620 -15.458 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.334 -13.263 -17.993 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.677 -12.193 -16.771 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.450 -12.517 -15.316 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.804 -14.123 -15.921 1.00 0.00 H new ATOM 207 N TYR A 14 9.388 -13.666 -15.016 1.00 0.00 N ATOM 208 CA TYR A 14 8.043 -13.184 -14.722 1.00 0.00 C ATOM 209 C TYR A 14 8.044 -12.286 -13.488 1.00 0.00 C ATOM 210 O TYR A 14 8.430 -12.709 -12.399 1.00 0.00 O ATOM 211 CB TYR A 14 7.093 -14.363 -14.507 1.00 0.00 C ATOM 212 CG TYR A 14 7.165 -15.406 -15.599 1.00 0.00 C ATOM 213 CD1 TYR A 14 6.548 -15.199 -16.827 1.00 0.00 C ATOM 214 CD2 TYR A 14 7.851 -16.598 -15.404 1.00 0.00 C ATOM 215 CE1 TYR A 14 6.611 -16.149 -17.827 1.00 0.00 C ATOM 216 CE2 TYR A 14 7.920 -17.554 -16.400 1.00 0.00 C ATOM 217 CZ TYR A 14 7.298 -17.325 -17.609 1.00 0.00 C ATOM 218 OH TYR A 14 7.364 -18.274 -18.604 1.00 0.00 O ATOM 0 H TYR A 14 9.932 -13.926 -14.194 1.00 0.00 H new ATOM 0 HA TYR A 14 7.699 -12.599 -15.575 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.322 -14.834 -13.551 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.072 -13.988 -14.441 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.010 -14.279 -17.002 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.339 -16.781 -14.458 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.125 -15.972 -18.775 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.458 -18.475 -16.232 1.00 0.00 H new ATOM 0 HH TYR A 14 7.327 -17.834 -19.479 1.00 0.00 H new ATOM 228 N SER A 15 7.609 -11.043 -13.669 1.00 0.00 N ATOM 229 CA SER A 15 7.562 -10.083 -12.573 1.00 0.00 C ATOM 230 C SER A 15 6.165 -10.025 -11.961 1.00 0.00 C ATOM 231 O SER A 15 5.173 -10.339 -12.619 1.00 0.00 O ATOM 232 CB SER A 15 7.973 -8.694 -13.066 1.00 0.00 C ATOM 233 OG SER A 15 8.574 -7.941 -12.027 1.00 0.00 O ATOM 0 H SER A 15 7.284 -10.678 -14.564 1.00 0.00 H new ATOM 0 HA SER A 15 8.263 -10.411 -11.805 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.670 -8.792 -13.898 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.098 -8.165 -13.443 1.00 0.00 H new ATOM 0 HG SER A 15 8.829 -7.058 -12.368 1.00 0.00 H new ATOM 239 N VAL A 16 6.097 -9.622 -10.696 1.00 0.00 N ATOM 240 CA VAL A 16 4.823 -9.522 -9.994 1.00 0.00 C ATOM 241 C VAL A 16 4.447 -8.066 -9.743 1.00 0.00 C ATOM 242 O VAL A 16 5.315 -7.200 -9.627 1.00 0.00 O ATOM 243 CB VAL A 16 4.864 -10.270 -8.648 1.00 0.00 C ATOM 244 CG1 VAL A 16 4.960 -9.285 -7.493 1.00 0.00 C ATOM 245 CG2 VAL A 16 3.642 -11.163 -8.498 1.00 0.00 C ATOM 0 H VAL A 16 6.909 -9.360 -10.137 1.00 0.00 H new ATOM 0 HA VAL A 16 4.071 -9.983 -10.635 1.00 0.00 H new ATOM 0 HB VAL A 16 5.752 -10.902 -8.630 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.988 -9.831 -6.550 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.869 -8.692 -7.595 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.092 -8.625 -7.504 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.687 -11.684 -7.542 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.739 -10.554 -8.537 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.623 -11.892 -9.308 1.00 0.00 H new ATOM 255 N THR A 17 3.147 -7.802 -9.658 1.00 0.00 N ATOM 256 CA THR A 17 2.655 -6.451 -9.421 1.00 0.00 C ATOM 257 C THR A 17 1.243 -6.473 -8.846 1.00 0.00 C ATOM 258 O THR A 17 0.343 -5.805 -9.356 1.00 0.00 O ATOM 259 CB THR A 17 2.657 -5.617 -10.716 1.00 0.00 C ATOM 260 OG1 THR A 17 2.292 -6.440 -11.829 1.00 0.00 O ATOM 261 CG2 THR A 17 4.026 -5.002 -10.961 1.00 0.00 C ATOM 0 H THR A 17 2.415 -8.507 -9.750 1.00 0.00 H new ATOM 0 HA THR A 17 3.331 -5.991 -8.700 1.00 0.00 H new ATOM 0 HB THR A 17 1.930 -4.813 -10.605 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.294 -5.902 -12.648 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.003 -4.418 -11.881 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.288 -4.353 -10.125 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.769 -5.794 -11.053 1.00 0.00 H new ATOM 269 N THR A 18 1.055 -7.245 -7.781 1.00 0.00 N ATOM 270 CA THR A 18 -0.248 -7.355 -7.137 1.00 0.00 C ATOM 271 C THR A 18 -0.127 -7.214 -5.624 1.00 0.00 C ATOM 272 O THR A 18 -1.002 -6.643 -4.971 1.00 0.00 O ATOM 273 CB THR A 18 -0.925 -8.699 -7.463 1.00 0.00 C ATOM 274 OG1 THR A 18 -1.991 -8.948 -6.540 1.00 0.00 O ATOM 275 CG2 THR A 18 0.080 -9.840 -7.404 1.00 0.00 C ATOM 0 H THR A 18 1.789 -7.804 -7.346 1.00 0.00 H new ATOM 0 HA THR A 18 -0.862 -6.544 -7.527 1.00 0.00 H new ATOM 0 HB THR A 18 -1.327 -8.641 -8.475 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.417 -9.804 -6.755 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.422 -10.779 -7.638 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.875 -9.663 -8.129 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.508 -9.897 -6.403 1.00 0.00 H new ATOM 283 N LEU A 19 0.962 -7.736 -5.071 1.00 0.00 N ATOM 284 CA LEU A 19 1.198 -7.668 -3.633 1.00 0.00 C ATOM 285 C LEU A 19 2.603 -7.153 -3.336 1.00 0.00 C ATOM 286 O LEU A 19 3.306 -6.686 -4.232 1.00 0.00 O ATOM 287 CB LEU A 19 1.003 -9.046 -2.998 1.00 0.00 C ATOM 288 CG LEU A 19 1.997 -10.127 -3.422 1.00 0.00 C ATOM 289 CD1 LEU A 19 2.277 -11.076 -2.267 1.00 0.00 C ATOM 290 CD2 LEU A 19 1.472 -10.892 -4.628 1.00 0.00 C ATOM 0 H LEU A 19 1.696 -8.211 -5.597 1.00 0.00 H new ATOM 0 HA LEU A 19 0.477 -6.972 -3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.057 -8.936 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.003 -9.393 -3.233 1.00 0.00 H new ATOM 0 HG LEU A 19 2.932 -9.643 -3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.987 -11.839 -2.587 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.697 -10.517 -1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.348 -11.553 -1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.193 -11.657 -4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.523 -11.364 -4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.323 -10.203 -5.459 1.00 0.00 H new ATOM 302 N SER A 20 3.006 -7.244 -2.072 1.00 0.00 N ATOM 303 CA SER A 20 4.326 -6.786 -1.656 1.00 0.00 C ATOM 304 C SER A 20 5.138 -7.934 -1.065 1.00 0.00 C ATOM 305 O SER A 20 4.579 -8.917 -0.579 1.00 0.00 O ATOM 306 CB SER A 20 4.198 -5.656 -0.633 1.00 0.00 C ATOM 307 OG SER A 20 2.865 -5.538 -0.167 1.00 0.00 O ATOM 0 H SER A 20 2.437 -7.631 -1.319 1.00 0.00 H new ATOM 0 HA SER A 20 4.848 -6.411 -2.537 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.865 -5.845 0.208 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.513 -4.715 -1.084 1.00 0.00 H new ATOM 0 HG SER A 20 2.810 -4.810 0.487 1.00 0.00 H new ATOM 313 N GLU A 21 6.460 -7.801 -1.111 1.00 0.00 N ATOM 314 CA GLU A 21 7.349 -8.828 -0.580 1.00 0.00 C ATOM 315 C GLU A 21 7.090 -9.058 0.906 1.00 0.00 C ATOM 316 O GLU A 21 7.416 -10.113 1.448 1.00 0.00 O ATOM 317 CB GLU A 21 8.811 -8.430 -0.799 1.00 0.00 C ATOM 318 CG GLU A 21 9.245 -7.231 0.027 1.00 0.00 C ATOM 319 CD GLU A 21 10.750 -7.044 0.037 1.00 0.00 C ATOM 320 OE1 GLU A 21 11.449 -7.831 -0.635 1.00 0.00 O ATOM 321 OE2 GLU A 21 11.228 -6.113 0.717 1.00 0.00 O ATOM 0 H GLU A 21 6.938 -6.993 -1.510 1.00 0.00 H new ATOM 0 HA GLU A 21 7.148 -9.757 -1.113 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.450 -9.279 -0.556 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.964 -8.208 -1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.773 -6.332 -0.369 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.891 -7.352 1.051 1.00 0.00 H new ATOM 328 N ASP A 22 6.501 -8.061 1.558 1.00 0.00 N ATOM 329 CA ASP A 22 6.196 -8.154 2.981 1.00 0.00 C ATOM 330 C ASP A 22 4.832 -8.799 3.205 1.00 0.00 C ATOM 331 O ASP A 22 4.327 -8.835 4.327 1.00 0.00 O ATOM 332 CB ASP A 22 6.229 -6.766 3.623 1.00 0.00 C ATOM 333 CG ASP A 22 7.534 -6.039 3.364 1.00 0.00 C ATOM 334 OD1 ASP A 22 7.671 -5.434 2.280 1.00 0.00 O ATOM 335 OD2 ASP A 22 8.417 -6.074 4.245 1.00 0.00 O ATOM 0 H ASP A 22 6.226 -7.180 1.124 1.00 0.00 H new ATOM 0 HA ASP A 22 6.955 -8.781 3.449 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.402 -6.170 3.237 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.077 -6.862 4.698 1.00 0.00 H new ATOM 340 N ASP A 23 4.241 -9.307 2.129 1.00 0.00 N ATOM 341 CA ASP A 23 2.935 -9.951 2.207 1.00 0.00 C ATOM 342 C ASP A 23 3.071 -11.404 2.652 1.00 0.00 C ATOM 343 O ASP A 23 2.765 -11.746 3.794 1.00 0.00 O ATOM 344 CB ASP A 23 2.227 -9.883 0.852 1.00 0.00 C ATOM 345 CG ASP A 23 0.718 -9.917 0.985 1.00 0.00 C ATOM 346 OD1 ASP A 23 0.214 -10.672 1.843 1.00 0.00 O ATOM 347 OD2 ASP A 23 0.040 -9.187 0.232 1.00 0.00 O ATOM 0 H ASP A 23 4.645 -9.285 1.193 1.00 0.00 H new ATOM 0 HA ASP A 23 2.338 -9.418 2.947 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.523 -8.969 0.336 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.553 -10.719 0.233 1.00 0.00 H new ATOM 352 N THR A 24 3.531 -12.256 1.741 1.00 0.00 N ATOM 353 CA THR A 24 3.706 -13.672 2.038 1.00 0.00 C ATOM 354 C THR A 24 4.124 -14.447 0.794 1.00 0.00 C ATOM 355 O THR A 24 3.740 -14.101 -0.323 1.00 0.00 O ATOM 356 CB THR A 24 2.414 -14.290 2.605 1.00 0.00 C ATOM 357 OG1 THR A 24 1.307 -13.414 2.369 1.00 0.00 O ATOM 358 CG2 THR A 24 2.549 -14.554 4.097 1.00 0.00 C ATOM 0 H THR A 24 3.789 -11.990 0.791 1.00 0.00 H new ATOM 0 HA THR A 24 4.494 -13.743 2.788 1.00 0.00 H new ATOM 0 HB THR A 24 2.240 -15.239 2.099 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.490 -13.815 2.732 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.624 -14.990 4.474 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.374 -15.245 4.271 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.746 -13.616 4.616 1.00 0.00 H new ATOM 366 N VAL A 25 4.913 -15.498 0.995 1.00 0.00 N ATOM 367 CA VAL A 25 5.381 -16.324 -0.111 1.00 0.00 C ATOM 368 C VAL A 25 4.212 -16.936 -0.875 1.00 0.00 C ATOM 369 O VAL A 25 4.110 -16.794 -2.094 1.00 0.00 O ATOM 370 CB VAL A 25 6.304 -17.454 0.384 1.00 0.00 C ATOM 371 CG1 VAL A 25 6.080 -18.721 -0.428 1.00 0.00 C ATOM 372 CG2 VAL A 25 7.760 -17.020 0.318 1.00 0.00 C ATOM 0 H VAL A 25 5.241 -15.797 1.913 1.00 0.00 H new ATOM 0 HA VAL A 25 5.944 -15.670 -0.777 1.00 0.00 H new ATOM 0 HB VAL A 25 6.060 -17.669 1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.741 -19.508 -0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.043 -19.041 -0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.296 -18.523 -1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.398 -17.830 0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.021 -16.776 -0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.907 -16.142 0.947 1.00 0.00 H new ATOM 382 N LEU A 26 3.331 -17.616 -0.150 1.00 0.00 N ATOM 383 CA LEU A 26 2.166 -18.250 -0.759 1.00 0.00 C ATOM 384 C LEU A 26 1.329 -17.230 -1.523 1.00 0.00 C ATOM 385 O LEU A 26 0.553 -17.588 -2.410 1.00 0.00 O ATOM 386 CB LEU A 26 1.312 -18.929 0.313 1.00 0.00 C ATOM 387 CG LEU A 26 -0.075 -18.328 0.545 1.00 0.00 C ATOM 388 CD1 LEU A 26 -1.065 -18.859 -0.479 1.00 0.00 C ATOM 389 CD2 LEU A 26 -0.555 -18.626 1.958 1.00 0.00 C ATOM 0 H LEU A 26 3.401 -17.743 0.860 1.00 0.00 H new ATOM 0 HA LEU A 26 2.519 -19.003 -1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.191 -19.978 0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.859 -18.904 1.255 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.006 -17.247 0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.046 -18.420 -0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.729 -18.595 -1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.131 -19.944 -0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.543 -18.191 2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.608 -19.705 2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.142 -18.196 2.677 1.00 0.00 H new ATOM 401 N ASP A 27 1.492 -15.958 -1.175 1.00 0.00 N ATOM 402 CA ASP A 27 0.753 -14.885 -1.830 1.00 0.00 C ATOM 403 C ASP A 27 1.363 -14.556 -3.189 1.00 0.00 C ATOM 404 O ASP A 27 0.656 -14.469 -4.194 1.00 0.00 O ATOM 405 CB ASP A 27 0.737 -13.636 -0.948 1.00 0.00 C ATOM 406 CG ASP A 27 -0.271 -12.607 -1.420 1.00 0.00 C ATOM 407 OD1 ASP A 27 -0.367 -12.390 -2.646 1.00 0.00 O ATOM 408 OD2 ASP A 27 -0.963 -12.017 -0.564 1.00 0.00 O ATOM 0 H ASP A 27 2.129 -15.645 -0.443 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.271 -15.224 -1.984 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.506 -13.922 0.078 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.731 -13.189 -0.938 1.00 0.00 H new ATOM 413 N LEU A 28 2.678 -14.373 -3.212 1.00 0.00 N ATOM 414 CA LEU A 28 3.385 -14.053 -4.447 1.00 0.00 C ATOM 415 C LEU A 28 3.657 -15.313 -5.262 1.00 0.00 C ATOM 416 O LEU A 28 3.322 -15.386 -6.444 1.00 0.00 O ATOM 417 CB LEU A 28 4.701 -13.339 -4.135 1.00 0.00 C ATOM 418 CG LEU A 28 5.171 -12.314 -5.168 1.00 0.00 C ATOM 419 CD1 LEU A 28 5.898 -11.165 -4.488 1.00 0.00 C ATOM 420 CD2 LEU A 28 6.066 -12.976 -6.206 1.00 0.00 C ATOM 0 H LEU A 28 3.277 -14.441 -2.389 1.00 0.00 H new ATOM 0 HA LEU A 28 2.751 -13.391 -5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.599 -12.835 -3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.481 -14.092 -4.019 1.00 0.00 H new ATOM 0 HG LEU A 28 4.295 -11.911 -5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.225 -10.446 -5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.225 -10.674 -3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.766 -11.550 -3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.391 -12.232 -6.933 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.937 -13.407 -5.713 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.511 -13.763 -6.716 1.00 0.00 H new ATOM 432 N LYS A 29 4.266 -16.305 -4.621 1.00 0.00 N ATOM 433 CA LYS A 29 4.581 -17.565 -5.283 1.00 0.00 C ATOM 434 C LYS A 29 3.369 -18.101 -6.038 1.00 0.00 C ATOM 435 O LYS A 29 3.476 -18.503 -7.196 1.00 0.00 O ATOM 436 CB LYS A 29 5.055 -18.599 -4.259 1.00 0.00 C ATOM 437 CG LYS A 29 6.550 -18.552 -3.995 1.00 0.00 C ATOM 438 CD LYS A 29 6.977 -17.201 -3.447 1.00 0.00 C ATOM 439 CE LYS A 29 7.354 -16.241 -4.565 1.00 0.00 C ATOM 440 NZ LYS A 29 8.431 -15.301 -4.148 1.00 0.00 N ATOM 0 H LYS A 29 4.551 -16.260 -3.643 1.00 0.00 H new ATOM 0 HA LYS A 29 5.381 -17.379 -6.000 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.524 -18.439 -3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.788 -19.595 -4.611 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.820 -19.335 -3.286 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.090 -18.758 -4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.166 -16.774 -2.857 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.826 -17.331 -2.776 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.684 -16.808 -5.435 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.474 -15.674 -4.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.022 -15.063 -4.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.005 -14.433 -3.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.019 -15.749 -3.417 1.00 0.00 H new ATOM 454 N GLN A 30 2.217 -18.101 -5.375 1.00 0.00 N ATOM 455 CA GLN A 30 0.985 -18.587 -5.986 1.00 0.00 C ATOM 456 C GLN A 30 0.689 -17.840 -7.282 1.00 0.00 C ATOM 457 O GLN A 30 0.170 -18.417 -8.238 1.00 0.00 O ATOM 458 CB GLN A 30 -0.187 -18.430 -5.014 1.00 0.00 C ATOM 459 CG GLN A 30 -0.682 -16.999 -4.884 1.00 0.00 C ATOM 460 CD GLN A 30 -1.819 -16.685 -5.836 1.00 0.00 C ATOM 461 OE1 GLN A 30 -2.585 -17.570 -6.219 1.00 0.00 O ATOM 462 NE2 GLN A 30 -1.935 -15.421 -6.224 1.00 0.00 N ATOM 0 H GLN A 30 2.111 -17.770 -4.416 1.00 0.00 H new ATOM 0 HA GLN A 30 1.116 -19.644 -6.219 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.011 -19.062 -5.346 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.116 -18.792 -4.031 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.012 -16.825 -3.860 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.145 -16.314 -5.073 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.278 -14.720 -5.882 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.681 -15.151 -6.865 1.00 0.00 H new ATOM 471 N PHE A 31 1.021 -16.553 -7.308 1.00 0.00 N ATOM 472 CA PHE A 31 0.789 -15.727 -8.487 1.00 0.00 C ATOM 473 C PHE A 31 1.690 -16.160 -9.640 1.00 0.00 C ATOM 474 O PHE A 31 1.211 -16.505 -10.721 1.00 0.00 O ATOM 475 CB PHE A 31 1.035 -14.253 -8.158 1.00 0.00 C ATOM 476 CG PHE A 31 0.558 -13.313 -9.229 1.00 0.00 C ATOM 477 CD1 PHE A 31 -0.780 -12.966 -9.319 1.00 0.00 C ATOM 478 CD2 PHE A 31 1.449 -12.776 -10.144 1.00 0.00 C ATOM 479 CE1 PHE A 31 -1.221 -12.102 -10.303 1.00 0.00 C ATOM 480 CE2 PHE A 31 1.013 -11.911 -11.131 1.00 0.00 C ATOM 481 CZ PHE A 31 -0.323 -11.573 -11.209 1.00 0.00 C ATOM 0 H PHE A 31 1.452 -16.060 -6.526 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.249 -15.856 -8.793 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.533 -14.009 -7.222 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.102 -14.098 -7.998 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.486 -13.375 -8.612 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.496 -13.036 -10.086 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.267 -11.841 -10.364 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.717 -11.500 -11.840 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.666 -10.896 -11.977 1.00 0.00 H new ATOM 491 N LEU A 32 2.997 -16.139 -9.402 1.00 0.00 N ATOM 492 CA LEU A 32 3.966 -16.529 -10.420 1.00 0.00 C ATOM 493 C LEU A 32 3.777 -17.988 -10.821 1.00 0.00 C ATOM 494 O LEU A 32 4.071 -18.375 -11.952 1.00 0.00 O ATOM 495 CB LEU A 32 5.390 -16.309 -9.906 1.00 0.00 C ATOM 496 CG LEU A 32 5.698 -16.873 -8.518 1.00 0.00 C ATOM 497 CD1 LEU A 32 6.110 -18.333 -8.614 1.00 0.00 C ATOM 498 CD2 LEU A 32 6.785 -16.053 -7.838 1.00 0.00 C ATOM 0 H LEU A 32 3.410 -15.856 -8.513 1.00 0.00 H new ATOM 0 HA LEU A 32 3.803 -15.906 -11.300 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.085 -16.753 -10.619 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.588 -15.237 -9.893 1.00 0.00 H new ATOM 0 HG LEU A 32 4.793 -16.812 -7.913 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.325 -18.717 -7.617 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.300 -18.911 -9.058 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.001 -18.419 -9.236 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.991 -16.469 -6.852 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.693 -16.081 -8.441 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.451 -15.021 -7.734 1.00 0.00 H new ATOM 510 N LYS A 33 3.283 -18.794 -9.888 1.00 0.00 N ATOM 511 CA LYS A 33 3.050 -20.210 -10.144 1.00 0.00 C ATOM 512 C LYS A 33 2.074 -20.401 -11.300 1.00 0.00 C ATOM 513 O LYS A 33 2.190 -21.351 -12.075 1.00 0.00 O ATOM 514 CB LYS A 33 2.509 -20.895 -8.887 1.00 0.00 C ATOM 515 CG LYS A 33 1.225 -21.672 -9.122 1.00 0.00 C ATOM 516 CD LYS A 33 1.495 -22.998 -9.814 1.00 0.00 C ATOM 517 CE LYS A 33 0.238 -23.551 -10.468 1.00 0.00 C ATOM 518 NZ LYS A 33 0.249 -23.354 -11.945 1.00 0.00 N ATOM 0 H LYS A 33 3.036 -18.490 -8.946 1.00 0.00 H new ATOM 0 HA LYS A 33 4.002 -20.665 -10.417 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.268 -21.573 -8.498 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.332 -20.141 -8.120 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.728 -21.852 -8.169 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.544 -21.076 -9.729 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.270 -22.865 -10.568 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.876 -23.717 -9.089 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.150 -24.614 -10.244 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.638 -23.062 -10.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.668 -22.970 -12.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.006 -22.688 -12.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.417 -24.266 -12.416 1.00 0.00 H new ATOM 532 N THR A 34 1.111 -19.490 -11.412 1.00 0.00 N ATOM 533 CA THR A 34 0.115 -19.558 -12.474 1.00 0.00 C ATOM 534 C THR A 34 0.747 -19.308 -13.838 1.00 0.00 C ATOM 535 O THR A 34 0.237 -19.761 -14.863 1.00 0.00 O ATOM 536 CB THR A 34 -1.016 -18.537 -12.249 1.00 0.00 C ATOM 537 OG1 THR A 34 -2.222 -18.997 -12.869 1.00 0.00 O ATOM 538 CG2 THR A 34 -0.636 -17.176 -12.815 1.00 0.00 C ATOM 0 H THR A 34 1.000 -18.697 -10.780 1.00 0.00 H new ATOM 0 HA THR A 34 -0.304 -20.564 -12.451 1.00 0.00 H new ATOM 0 HB THR A 34 -1.176 -18.435 -11.176 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.936 -18.343 -12.720 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.450 -16.471 -12.645 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.266 -16.815 -12.321 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.452 -17.266 -13.886 1.00 0.00 H new ATOM 546 N LEU A 35 1.861 -18.584 -13.845 1.00 0.00 N ATOM 547 CA LEU A 35 2.565 -18.273 -15.084 1.00 0.00 C ATOM 548 C LEU A 35 3.672 -19.288 -15.351 1.00 0.00 C ATOM 549 O LEU A 35 4.128 -19.443 -16.485 1.00 0.00 O ATOM 550 CB LEU A 35 3.155 -16.863 -15.020 1.00 0.00 C ATOM 551 CG LEU A 35 2.215 -15.765 -14.521 1.00 0.00 C ATOM 552 CD1 LEU A 35 2.906 -14.411 -14.564 1.00 0.00 C ATOM 553 CD2 LEU A 35 0.938 -15.740 -15.348 1.00 0.00 C ATOM 0 H LEU A 35 2.296 -18.201 -13.006 1.00 0.00 H new ATOM 0 HA LEU A 35 1.847 -18.322 -15.902 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.031 -16.886 -14.372 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.503 -16.591 -16.016 1.00 0.00 H new ATOM 0 HG LEU A 35 1.950 -15.982 -13.486 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.222 -13.642 -14.205 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.791 -14.434 -13.929 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.201 -14.185 -15.589 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.281 -14.953 -14.979 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.184 -15.547 -16.392 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.433 -16.702 -15.266 1.00 0.00 H new ATOM 565 N THR A 36 4.099 -19.981 -14.300 1.00 0.00 N ATOM 566 CA THR A 36 5.151 -20.982 -14.420 1.00 0.00 C ATOM 567 C THR A 36 4.567 -22.389 -14.474 1.00 0.00 C ATOM 568 O THR A 36 5.204 -23.317 -14.971 1.00 0.00 O ATOM 569 CB THR A 36 6.146 -20.895 -13.248 1.00 0.00 C ATOM 570 OG1 THR A 36 5.496 -21.263 -12.026 1.00 0.00 O ATOM 571 CG2 THR A 36 6.714 -19.490 -13.123 1.00 0.00 C ATOM 0 H THR A 36 3.732 -19.867 -13.355 1.00 0.00 H new ATOM 0 HA THR A 36 5.680 -20.775 -15.351 1.00 0.00 H new ATOM 0 HB THR A 36 6.967 -21.585 -13.445 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.006 -20.913 -11.266 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.414 -19.454 -12.288 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.233 -19.224 -14.044 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.903 -18.784 -12.947 1.00 0.00 H new ATOM 579 N GLY A 37 3.351 -22.541 -13.958 1.00 0.00 N ATOM 580 CA GLY A 37 2.702 -23.838 -13.958 1.00 0.00 C ATOM 581 C GLY A 37 3.042 -24.656 -12.728 1.00 0.00 C ATOM 582 O GLY A 37 2.333 -25.604 -12.387 1.00 0.00 O ATOM 0 H GLY A 37 2.804 -21.788 -13.540 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.622 -23.701 -14.012 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.998 -24.389 -14.850 1.00 0.00 H new ATOM 586 N VAL A 38 4.132 -24.292 -12.060 1.00 0.00 N ATOM 587 CA VAL A 38 4.565 -24.999 -10.861 1.00 0.00 C ATOM 588 C VAL A 38 4.303 -24.170 -9.608 1.00 0.00 C ATOM 589 O VAL A 38 4.458 -22.948 -9.616 1.00 0.00 O ATOM 590 CB VAL A 38 6.064 -25.350 -10.927 1.00 0.00 C ATOM 591 CG1 VAL A 38 6.912 -24.091 -10.818 1.00 0.00 C ATOM 592 CG2 VAL A 38 6.427 -26.343 -9.833 1.00 0.00 C ATOM 0 H VAL A 38 4.731 -23.512 -12.329 1.00 0.00 H new ATOM 0 HA VAL A 38 3.985 -25.921 -10.811 1.00 0.00 H new ATOM 0 HB VAL A 38 6.269 -25.815 -11.891 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.968 -24.358 -10.866 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.670 -23.417 -11.640 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.706 -23.595 -9.869 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.489 -26.580 -9.894 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.208 -25.907 -8.858 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.844 -27.255 -9.961 1.00 0.00 H new ATOM 602 N LEU A 39 3.905 -24.842 -8.534 1.00 0.00 N ATOM 603 CA LEU A 39 3.622 -24.168 -7.271 1.00 0.00 C ATOM 604 C LEU A 39 4.858 -24.141 -6.379 1.00 0.00 C ATOM 605 O LEU A 39 5.827 -24.869 -6.596 1.00 0.00 O ATOM 606 CB LEU A 39 2.470 -24.865 -6.546 1.00 0.00 C ATOM 607 CG LEU A 39 2.287 -26.353 -6.850 1.00 0.00 C ATOM 608 CD1 LEU A 39 1.723 -26.546 -8.249 1.00 0.00 C ATOM 609 CD2 LEU A 39 3.607 -27.094 -6.698 1.00 0.00 C ATOM 0 H LEU A 39 3.771 -25.853 -8.512 1.00 0.00 H new ATOM 0 HA LEU A 39 3.335 -23.140 -7.492 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.620 -24.750 -5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.544 -24.347 -6.796 1.00 0.00 H new ATOM 0 HG LEU A 39 1.577 -26.766 -6.134 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.600 -27.611 -8.448 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.756 -26.048 -8.323 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.409 -26.118 -8.980 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.458 -28.151 -6.918 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.339 -26.679 -7.391 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.971 -26.984 -5.676 1.00 0.00 H new ATOM 621 N PRO A 40 4.825 -23.283 -5.348 1.00 0.00 N ATOM 622 CA PRO A 40 5.934 -23.142 -4.400 1.00 0.00 C ATOM 623 C PRO A 40 6.089 -24.366 -3.503 1.00 0.00 C ATOM 624 O PRO A 40 7.177 -24.643 -2.999 1.00 0.00 O ATOM 625 CB PRO A 40 5.538 -21.918 -3.570 1.00 0.00 C ATOM 626 CG PRO A 40 4.053 -21.862 -3.663 1.00 0.00 C ATOM 627 CD PRO A 40 3.703 -22.385 -5.029 1.00 0.00 C ATOM 0 HA PRO A 40 6.893 -23.038 -4.907 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.866 -22.018 -2.535 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.994 -21.009 -3.963 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.590 -22.467 -2.883 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.692 -20.842 -3.531 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.752 -22.917 -5.024 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.614 -21.579 -5.757 1.00 0.00 H new ATOM 635 N GLU A 41 4.994 -25.094 -3.309 1.00 0.00 N ATOM 636 CA GLU A 41 5.010 -26.288 -2.473 1.00 0.00 C ATOM 637 C GLU A 41 5.933 -27.352 -3.060 1.00 0.00 C ATOM 638 O GLU A 41 6.380 -28.259 -2.357 1.00 0.00 O ATOM 639 CB GLU A 41 3.595 -26.852 -2.322 1.00 0.00 C ATOM 640 CG GLU A 41 3.029 -27.427 -3.609 1.00 0.00 C ATOM 641 CD GLU A 41 1.769 -28.239 -3.381 1.00 0.00 C ATOM 642 OE1 GLU A 41 1.680 -28.911 -2.332 1.00 0.00 O ATOM 643 OE2 GLU A 41 0.874 -28.203 -4.250 1.00 0.00 O ATOM 0 H GLU A 41 4.085 -24.878 -3.719 1.00 0.00 H new ATOM 0 HA GLU A 41 5.388 -26.006 -1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.603 -27.630 -1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.934 -26.062 -1.965 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.812 -26.614 -4.301 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.782 -28.057 -4.083 1.00 0.00 H new ATOM 650 N ARG A 42 6.214 -27.234 -4.354 1.00 0.00 N ATOM 651 CA ARG A 42 7.081 -28.186 -5.037 1.00 0.00 C ATOM 652 C ARG A 42 8.485 -27.614 -5.213 1.00 0.00 C ATOM 653 O ARG A 42 9.477 -28.331 -5.089 1.00 0.00 O ATOM 654 CB ARG A 42 6.495 -28.555 -6.401 1.00 0.00 C ATOM 655 CG ARG A 42 5.433 -29.640 -6.335 1.00 0.00 C ATOM 656 CD ARG A 42 6.052 -31.028 -6.376 1.00 0.00 C ATOM 657 NE ARG A 42 5.111 -32.032 -6.866 1.00 0.00 N ATOM 658 CZ ARG A 42 4.097 -32.502 -6.148 1.00 0.00 C ATOM 659 NH1 ARG A 42 3.893 -32.060 -4.915 1.00 0.00 N ATOM 660 NH2 ARG A 42 3.283 -33.414 -6.664 1.00 0.00 N ATOM 0 H ARG A 42 5.854 -26.489 -4.950 1.00 0.00 H new ATOM 0 HA ARG A 42 7.147 -29.084 -4.423 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.063 -27.663 -6.855 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.301 -28.887 -7.055 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.852 -29.527 -5.420 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.741 -29.524 -7.169 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.933 -31.013 -7.017 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.389 -31.304 -5.377 1.00 0.00 H new ATOM 0 HE ARG A 42 5.240 -32.392 -7.812 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.515 -31.357 -4.516 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.114 -32.422 -4.366 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.435 -33.755 -7.613 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.505 -33.774 -6.112 1.00 0.00 H new ATOM 674 N GLN A 43 8.558 -26.318 -5.502 1.00 0.00 N ATOM 675 CA GLN A 43 9.840 -25.651 -5.695 1.00 0.00 C ATOM 676 C GLN A 43 10.050 -24.561 -4.649 1.00 0.00 C ATOM 677 O GLN A 43 9.115 -23.850 -4.281 1.00 0.00 O ATOM 678 CB GLN A 43 9.918 -25.048 -7.099 1.00 0.00 C ATOM 679 CG GLN A 43 9.116 -25.816 -8.137 1.00 0.00 C ATOM 680 CD GLN A 43 9.476 -25.428 -9.557 1.00 0.00 C ATOM 681 OE1 GLN A 43 9.534 -26.276 -10.449 1.00 0.00 O ATOM 682 NE2 GLN A 43 9.720 -24.141 -9.776 1.00 0.00 N ATOM 0 H GLN A 43 7.746 -25.710 -5.607 1.00 0.00 H new ATOM 0 HA GLN A 43 10.629 -26.395 -5.581 1.00 0.00 H new ATOM 0 HB2 GLN A 43 9.560 -24.019 -7.064 1.00 0.00 H new ATOM 0 HB3 GLN A 43 10.961 -25.012 -7.412 1.00 0.00 H new ATOM 0 HG2 GLN A 43 9.284 -26.885 -8.003 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.053 -25.638 -7.974 1.00 0.00 H new ATOM 0 HE21 GLN A 43 9.660 -23.473 -9.008 1.00 0.00 H new ATOM 0 HE22 GLN A 43 9.967 -23.821 -10.712 1.00 0.00 H new ATOM 691 N LYS A 44 11.284 -24.436 -4.172 1.00 0.00 N ATOM 692 CA LYS A 44 11.618 -23.433 -3.167 1.00 0.00 C ATOM 693 C LYS A 44 12.502 -22.342 -3.762 1.00 0.00 C ATOM 694 O LYS A 44 13.630 -22.603 -4.183 1.00 0.00 O ATOM 695 CB LYS A 44 12.327 -24.088 -1.980 1.00 0.00 C ATOM 696 CG LYS A 44 13.713 -24.613 -2.312 1.00 0.00 C ATOM 697 CD LYS A 44 13.977 -25.952 -1.645 1.00 0.00 C ATOM 698 CE LYS A 44 15.450 -26.126 -1.308 1.00 0.00 C ATOM 699 NZ LYS A 44 16.194 -26.803 -2.406 1.00 0.00 N ATOM 0 H LYS A 44 12.070 -25.017 -4.465 1.00 0.00 H new ATOM 0 HA LYS A 44 10.690 -22.977 -2.821 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.407 -23.363 -1.170 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.715 -24.911 -1.611 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.814 -24.717 -3.392 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.463 -23.891 -1.990 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.383 -26.030 -0.735 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.656 -26.758 -2.305 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.896 -25.150 -1.115 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.547 -26.708 -0.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.194 -26.903 -2.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.785 -27.744 -2.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.124 -26.235 -3.275 1.00 0.00 H new ATOM 713 N LEU A 45 11.984 -21.119 -3.793 1.00 0.00 N ATOM 714 CA LEU A 45 12.727 -19.987 -4.335 1.00 0.00 C ATOM 715 C LEU A 45 13.955 -19.682 -3.482 1.00 0.00 C ATOM 716 O LEU A 45 13.880 -19.660 -2.252 1.00 0.00 O ATOM 717 CB LEU A 45 11.828 -18.752 -4.413 1.00 0.00 C ATOM 718 CG LEU A 45 11.084 -18.546 -5.733 1.00 0.00 C ATOM 719 CD1 LEU A 45 10.199 -17.312 -5.660 1.00 0.00 C ATOM 720 CD2 LEU A 45 12.067 -18.433 -6.888 1.00 0.00 C ATOM 0 H LEU A 45 11.052 -20.886 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 45 13.061 -20.251 -5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.093 -18.811 -3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 45 12.439 -17.870 -4.222 1.00 0.00 H new ATOM 0 HG LEU A 45 10.448 -19.414 -5.908 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.678 -17.182 -6.608 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.470 -17.434 -4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.814 -16.434 -5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.519 -18.287 -7.819 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.730 -17.584 -6.720 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.657 -19.347 -6.954 1.00 0.00 H new ATOM 732 N LEU A 46 15.084 -19.447 -4.141 1.00 0.00 N ATOM 733 CA LEU A 46 16.328 -19.141 -3.444 1.00 0.00 C ATOM 734 C LEU A 46 16.121 -18.026 -2.424 1.00 0.00 C ATOM 735 O LEU A 46 15.199 -17.220 -2.549 1.00 0.00 O ATOM 736 CB LEU A 46 17.411 -18.737 -4.446 1.00 0.00 C ATOM 737 CG LEU A 46 18.593 -19.697 -4.579 1.00 0.00 C ATOM 738 CD1 LEU A 46 19.466 -19.309 -5.763 1.00 0.00 C ATOM 739 CD2 LEU A 46 19.411 -19.719 -3.296 1.00 0.00 C ATOM 0 H LEU A 46 15.164 -19.463 -5.158 1.00 0.00 H new ATOM 0 HA LEU A 46 16.649 -20.038 -2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 46 16.948 -18.625 -5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.795 -17.757 -4.161 1.00 0.00 H new ATOM 0 HG LEU A 46 18.203 -20.700 -4.754 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.302 -20.004 -5.842 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.875 -19.347 -6.678 1.00 0.00 H new ATOM 0 HD13 LEU A 46 19.847 -18.298 -5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 46 20.248 -20.408 -3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.790 -18.718 -3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.781 -20.047 -2.469 1.00 0.00 H new ATOM 751 N GLY A 47 16.986 -17.984 -1.416 1.00 0.00 N ATOM 752 CA GLY A 47 16.883 -16.963 -0.391 1.00 0.00 C ATOM 753 C GLY A 47 17.437 -17.421 0.943 1.00 0.00 C ATOM 754 O GLY A 47 18.578 -17.111 1.290 1.00 0.00 O ATOM 0 H GLY A 47 17.757 -18.640 -1.291 1.00 0.00 H new ATOM 0 HA2 GLY A 47 17.419 -16.071 -0.716 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.838 -16.680 -0.269 1.00 0.00 H new ATOM 758 N LEU A 48 16.630 -18.161 1.695 1.00 0.00 N ATOM 759 CA LEU A 48 17.046 -18.662 3.001 1.00 0.00 C ATOM 760 C LEU A 48 15.943 -19.501 3.639 1.00 0.00 C ATOM 761 O LEU A 48 14.756 -19.223 3.463 1.00 0.00 O ATOM 762 CB LEU A 48 17.415 -17.498 3.922 1.00 0.00 C ATOM 763 CG LEU A 48 17.519 -17.828 5.412 1.00 0.00 C ATOM 764 CD1 LEU A 48 18.618 -18.851 5.656 1.00 0.00 C ATOM 765 CD2 LEU A 48 17.773 -16.565 6.221 1.00 0.00 C ATOM 0 H LEU A 48 15.684 -18.428 1.423 1.00 0.00 H new ATOM 0 HA LEU A 48 17.922 -19.295 2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 48 18.371 -17.090 3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.672 -16.711 3.796 1.00 0.00 H new ATOM 0 HG LEU A 48 16.572 -18.259 5.737 1.00 0.00 H new ATOM 0 HD11 LEU A 48 18.678 -19.074 6.721 1.00 0.00 H new ATOM 0 HD12 LEU A 48 18.393 -19.765 5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 48 19.572 -18.448 5.316 1.00 0.00 H new ATOM 0 HD21 LEU A 48 17.844 -16.819 7.279 1.00 0.00 H new ATOM 0 HD22 LEU A 48 18.706 -16.105 5.895 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.951 -15.865 6.070 1.00 0.00 H new ATOM 777 N LYS A 49 16.342 -20.527 4.382 1.00 0.00 N ATOM 778 CA LYS A 49 15.389 -21.405 5.050 1.00 0.00 C ATOM 779 C LYS A 49 15.186 -20.983 6.502 1.00 0.00 C ATOM 780 O LYS A 49 16.149 -20.732 7.227 1.00 0.00 O ATOM 781 CB LYS A 49 15.873 -22.855 4.993 1.00 0.00 C ATOM 782 CG LYS A 49 16.395 -23.268 3.628 1.00 0.00 C ATOM 783 CD LYS A 49 16.179 -24.751 3.373 1.00 0.00 C ATOM 784 CE LYS A 49 17.421 -25.561 3.710 1.00 0.00 C ATOM 785 NZ LYS A 49 17.474 -26.839 2.947 1.00 0.00 N ATOM 0 H LYS A 49 17.320 -20.771 4.537 1.00 0.00 H new ATOM 0 HA LYS A 49 14.434 -21.326 4.530 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.662 -22.995 5.732 1.00 0.00 H new ATOM 0 HB3 LYS A 49 15.052 -23.515 5.274 1.00 0.00 H new ATOM 0 HG2 LYS A 49 15.892 -22.688 2.854 1.00 0.00 H new ATOM 0 HG3 LYS A 49 17.458 -23.037 3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 49 15.339 -25.105 3.970 1.00 0.00 H new ATOM 0 HD3 LYS A 49 15.914 -24.907 2.327 1.00 0.00 H new ATOM 0 HE2 LYS A 49 18.310 -24.970 3.491 1.00 0.00 H new ATOM 0 HE3 LYS A 49 17.436 -25.775 4.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 18.335 -27.362 3.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 16.638 -27.414 3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 17.486 -26.634 1.927 1.00 0.00 H new ATOM 799 N VAL A 50 13.926 -20.908 6.921 1.00 0.00 N ATOM 800 CA VAL A 50 13.597 -20.519 8.287 1.00 0.00 C ATOM 801 C VAL A 50 13.077 -21.709 9.087 1.00 0.00 C ATOM 802 O VAL A 50 12.251 -22.483 8.603 1.00 0.00 O ATOM 803 CB VAL A 50 12.543 -19.397 8.313 1.00 0.00 C ATOM 804 CG1 VAL A 50 11.221 -19.893 7.747 1.00 0.00 C ATOM 805 CG2 VAL A 50 12.362 -18.869 9.728 1.00 0.00 C ATOM 0 H VAL A 50 13.117 -21.112 6.334 1.00 0.00 H new ATOM 0 HA VAL A 50 14.517 -20.153 8.742 1.00 0.00 H new ATOM 0 HB VAL A 50 12.894 -18.577 7.686 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.488 -19.086 7.773 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.365 -20.218 6.717 1.00 0.00 H new ATOM 0 HG13 VAL A 50 10.861 -20.730 8.345 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.614 -18.077 9.728 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.033 -19.679 10.379 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.310 -18.473 10.092 1.00 0.00 H new ATOM 815 N LYS A 51 13.566 -21.848 10.315 1.00 0.00 N ATOM 816 CA LYS A 51 13.150 -22.942 11.184 1.00 0.00 C ATOM 817 C LYS A 51 13.465 -24.293 10.548 1.00 0.00 C ATOM 818 O LYS A 51 12.850 -25.305 10.881 1.00 0.00 O ATOM 819 CB LYS A 51 11.652 -22.843 11.482 1.00 0.00 C ATOM 820 CG LYS A 51 11.229 -21.491 12.028 1.00 0.00 C ATOM 821 CD LYS A 51 11.643 -21.321 13.480 1.00 0.00 C ATOM 822 CE LYS A 51 12.979 -20.604 13.598 1.00 0.00 C ATOM 823 NZ LYS A 51 13.082 -19.828 14.865 1.00 0.00 N ATOM 0 H LYS A 51 14.251 -21.216 10.730 1.00 0.00 H new ATOM 0 HA LYS A 51 13.706 -22.862 12.118 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.094 -23.047 10.568 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.381 -23.617 12.201 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.675 -20.699 11.427 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.148 -21.385 11.942 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.878 -20.757 14.014 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.710 -22.299 13.957 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.788 -21.333 13.552 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.107 -19.932 12.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.007 -19.354 14.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.326 -19.115 14.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.986 -20.472 15.676 1.00 0.00 H new ATOM 837 N GLY A 52 14.427 -24.300 9.631 1.00 0.00 N ATOM 838 CA GLY A 52 14.807 -25.532 8.964 1.00 0.00 C ATOM 839 C GLY A 52 13.905 -25.858 7.791 1.00 0.00 C ATOM 840 O GLY A 52 14.086 -26.876 7.122 1.00 0.00 O ATOM 0 H GLY A 52 14.950 -23.475 9.338 1.00 0.00 H new ATOM 0 HA2 GLY A 52 15.836 -25.450 8.615 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.778 -26.353 9.680 1.00 0.00 H new ATOM 844 N LYS A 53 12.928 -24.993 7.540 1.00 0.00 N ATOM 845 CA LYS A 53 11.992 -25.194 6.440 1.00 0.00 C ATOM 846 C LYS A 53 12.317 -24.265 5.274 1.00 0.00 C ATOM 847 O LYS A 53 12.748 -23.127 5.457 1.00 0.00 O ATOM 848 CB LYS A 53 10.557 -24.952 6.913 1.00 0.00 C ATOM 849 CG LYS A 53 9.989 -26.094 7.738 1.00 0.00 C ATOM 850 CD LYS A 53 8.893 -26.833 6.988 1.00 0.00 C ATOM 851 CE LYS A 53 8.245 -27.900 7.856 1.00 0.00 C ATOM 852 NZ LYS A 53 7.656 -28.997 7.039 1.00 0.00 N ATOM 0 H LYS A 53 12.764 -24.146 8.084 1.00 0.00 H new ATOM 0 HA LYS A 53 12.086 -26.225 6.099 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.528 -24.037 7.505 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.919 -24.790 6.044 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.787 -26.790 7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.591 -25.704 8.675 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.135 -26.123 6.656 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.311 -27.295 6.093 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.988 -28.314 8.538 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.467 -27.446 8.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.224 -29.704 7.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.929 -28.607 6.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.403 -29.447 6.472 1.00 0.00 H new ATOM 866 N PRO A 54 12.104 -24.760 4.045 1.00 0.00 N ATOM 867 CA PRO A 54 12.366 -23.990 2.825 1.00 0.00 C ATOM 868 C PRO A 54 11.378 -22.843 2.641 1.00 0.00 C ATOM 869 O PRO A 54 10.598 -22.831 1.689 1.00 0.00 O ATOM 870 CB PRO A 54 12.198 -25.025 1.710 1.00 0.00 C ATOM 871 CG PRO A 54 11.284 -26.053 2.281 1.00 0.00 C ATOM 872 CD PRO A 54 11.591 -26.109 3.752 1.00 0.00 C ATOM 0 HA PRO A 54 13.349 -23.519 2.843 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.775 -24.574 0.812 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.156 -25.461 1.427 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.241 -25.786 2.110 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.446 -27.023 1.811 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.702 -26.337 4.340 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.329 -26.878 3.979 1.00 0.00 H new ATOM 880 N ALA A 55 11.418 -21.881 3.557 1.00 0.00 N ATOM 881 CA ALA A 55 10.528 -20.728 3.493 1.00 0.00 C ATOM 882 C ALA A 55 9.074 -21.164 3.347 1.00 0.00 C ATOM 883 O ALA A 55 8.572 -21.320 2.235 1.00 0.00 O ATOM 884 CB ALA A 55 10.926 -19.818 2.340 1.00 0.00 C ATOM 0 H ALA A 55 12.057 -21.877 4.352 1.00 0.00 H new ATOM 0 HA ALA A 55 10.622 -20.175 4.428 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.253 -18.961 2.304 1.00 0.00 H new ATOM 0 HB2 ALA A 55 11.949 -19.470 2.487 1.00 0.00 H new ATOM 0 HB3 ALA A 55 10.862 -20.370 1.402 1.00 0.00 H new ATOM 890 N GLU A 56 8.404 -21.360 4.479 1.00 0.00 N ATOM 891 CA GLU A 56 7.008 -21.780 4.476 1.00 0.00 C ATOM 892 C GLU A 56 6.165 -20.860 3.597 1.00 0.00 C ATOM 893 O GLU A 56 6.644 -19.834 3.116 1.00 0.00 O ATOM 894 CB GLU A 56 6.452 -21.792 5.901 1.00 0.00 C ATOM 895 CG GLU A 56 5.466 -22.918 6.161 1.00 0.00 C ATOM 896 CD GLU A 56 5.869 -23.787 7.337 1.00 0.00 C ATOM 897 OE1 GLU A 56 5.890 -23.273 8.475 1.00 0.00 O ATOM 898 OE2 GLU A 56 6.164 -24.981 7.118 1.00 0.00 O ATOM 0 H GLU A 56 8.805 -21.235 5.408 1.00 0.00 H new ATOM 0 HA GLU A 56 6.960 -22.789 4.067 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.280 -21.876 6.604 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.962 -20.839 6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.479 -22.495 6.348 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.384 -23.537 5.268 1.00 0.00 H new ATOM 905 N ASN A 57 4.907 -21.236 3.393 1.00 0.00 N ATOM 906 CA ASN A 57 3.997 -20.446 2.572 1.00 0.00 C ATOM 907 C ASN A 57 3.630 -19.139 3.269 1.00 0.00 C ATOM 908 O ASN A 57 3.453 -18.107 2.622 1.00 0.00 O ATOM 909 CB ASN A 57 2.729 -21.246 2.264 1.00 0.00 C ATOM 910 CG ASN A 57 2.820 -21.987 0.944 1.00 0.00 C ATOM 911 OD1 ASN A 57 3.215 -21.278 -0.107 1.00 0.00 O flip ATOM 912 ND2 ASN A 57 2.539 -23.184 0.870 1.00 0.00 N flip ATOM 0 H ASN A 57 4.495 -22.083 3.785 1.00 0.00 H new ATOM 0 HA ASN A 57 4.505 -20.209 1.637 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.549 -21.961 3.067 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.873 -20.571 2.241 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.240 -23.690 1.703 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.606 -23.669 -0.025 1.00 0.00 H new ATOM 919 N ASP A 58 3.517 -19.193 4.592 1.00 0.00 N ATOM 920 CA ASP A 58 3.173 -18.014 5.378 1.00 0.00 C ATOM 921 C ASP A 58 4.385 -17.103 5.551 1.00 0.00 C ATOM 922 O ASP A 58 4.265 -15.978 6.036 1.00 0.00 O ATOM 923 CB ASP A 58 2.631 -18.428 6.747 1.00 0.00 C ATOM 924 CG ASP A 58 1.913 -17.294 7.452 1.00 0.00 C ATOM 925 OD1 ASP A 58 0.884 -16.823 6.923 1.00 0.00 O ATOM 926 OD2 ASP A 58 2.379 -16.878 8.533 1.00 0.00 O ATOM 0 H ASP A 58 3.659 -20.040 5.142 1.00 0.00 H new ATOM 0 HA ASP A 58 2.401 -17.463 4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.947 -19.267 6.625 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.454 -18.776 7.370 1.00 0.00 H new ATOM 931 N VAL A 59 5.552 -17.598 5.151 1.00 0.00 N ATOM 932 CA VAL A 59 6.786 -16.829 5.262 1.00 0.00 C ATOM 933 C VAL A 59 6.821 -15.696 4.243 1.00 0.00 C ATOM 934 O VAL A 59 6.545 -15.900 3.061 1.00 0.00 O ATOM 935 CB VAL A 59 8.024 -17.723 5.061 1.00 0.00 C ATOM 936 CG1 VAL A 59 9.287 -16.878 4.984 1.00 0.00 C ATOM 937 CG2 VAL A 59 8.127 -18.749 6.180 1.00 0.00 C ATOM 0 H VAL A 59 5.669 -18.527 4.747 1.00 0.00 H new ATOM 0 HA VAL A 59 6.808 -16.410 6.268 1.00 0.00 H new ATOM 0 HB VAL A 59 7.915 -18.257 4.117 1.00 0.00 H new ATOM 0 HG11 VAL A 59 10.151 -17.527 4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.211 -16.186 4.145 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.405 -16.315 5.910 1.00 0.00 H new ATOM 0 HG21 VAL A 59 9.007 -19.372 6.022 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.213 -18.236 7.138 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.235 -19.375 6.183 1.00 0.00 H new ATOM 947 N LYS A 60 7.163 -14.499 4.709 1.00 0.00 N ATOM 948 CA LYS A 60 7.236 -13.331 3.840 1.00 0.00 C ATOM 949 C LYS A 60 8.406 -13.448 2.868 1.00 0.00 C ATOM 950 O LYS A 60 9.352 -14.200 3.108 1.00 0.00 O ATOM 951 CB LYS A 60 7.377 -12.056 4.674 1.00 0.00 C ATOM 952 CG LYS A 60 6.669 -12.126 6.016 1.00 0.00 C ATOM 953 CD LYS A 60 6.020 -10.799 6.373 1.00 0.00 C ATOM 954 CE LYS A 60 4.527 -10.955 6.614 1.00 0.00 C ATOM 955 NZ LYS A 60 4.233 -11.404 8.003 1.00 0.00 N ATOM 0 H LYS A 60 7.394 -14.313 5.685 1.00 0.00 H new ATOM 0 HA LYS A 60 6.312 -13.280 3.264 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.435 -11.856 4.841 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.980 -11.215 4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.910 -12.908 5.988 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.383 -12.403 6.791 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.493 -10.390 7.266 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.187 -10.083 5.568 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.028 -10.004 6.426 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.118 -11.675 5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.205 -11.498 8.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.688 -12.323 8.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.600 -10.704 8.679 1.00 0.00 H new ATOM 969 N LEU A 61 8.337 -12.700 1.773 1.00 0.00 N ATOM 970 CA LEU A 61 9.392 -12.719 0.766 1.00 0.00 C ATOM 971 C LEU A 61 10.660 -12.055 1.293 1.00 0.00 C ATOM 972 O LEU A 61 11.685 -12.709 1.478 1.00 0.00 O ATOM 973 CB LEU A 61 8.923 -12.011 -0.507 1.00 0.00 C ATOM 974 CG LEU A 61 7.769 -12.676 -1.258 1.00 0.00 C ATOM 975 CD1 LEU A 61 7.990 -14.178 -1.356 1.00 0.00 C ATOM 976 CD2 LEU A 61 6.443 -12.374 -0.574 1.00 0.00 C ATOM 0 H LEU A 61 7.562 -12.073 1.560 1.00 0.00 H new ATOM 0 HA LEU A 61 9.619 -13.759 0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.623 -10.996 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.772 -11.927 -1.186 1.00 0.00 H new ATOM 0 HG LEU A 61 7.736 -12.268 -2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.159 -14.634 -1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.919 -14.375 -1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.051 -14.603 -0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.633 -12.855 -1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.466 -12.754 0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.280 -11.296 -0.557 1.00 0.00 H new ATOM 988 N GLY A 62 10.581 -10.749 1.534 1.00 0.00 N ATOM 989 CA GLY A 62 11.729 -10.018 2.040 1.00 0.00 C ATOM 990 C GLY A 62 12.293 -10.629 3.307 1.00 0.00 C ATOM 991 O GLY A 62 13.395 -10.284 3.733 1.00 0.00 O ATOM 0 H GLY A 62 9.744 -10.185 1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.506 -9.993 1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.441 -8.985 2.236 1.00 0.00 H new ATOM 995 N ALA A 63 11.536 -11.539 3.911 1.00 0.00 N ATOM 996 CA ALA A 63 11.968 -12.200 5.137 1.00 0.00 C ATOM 997 C ALA A 63 13.262 -12.975 4.916 1.00 0.00 C ATOM 998 O ALA A 63 14.286 -12.683 5.535 1.00 0.00 O ATOM 999 CB ALA A 63 10.876 -13.127 5.649 1.00 0.00 C ATOM 0 H ALA A 63 10.621 -11.835 3.572 1.00 0.00 H new ATOM 0 HA ALA A 63 12.159 -11.432 5.887 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.212 -13.614 6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.975 -12.549 5.855 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.658 -13.883 4.895 1.00 0.00 H new ATOM 1005 N LEU A 64 13.210 -13.964 4.031 1.00 0.00 N ATOM 1006 CA LEU A 64 14.379 -14.783 3.729 1.00 0.00 C ATOM 1007 C LEU A 64 14.682 -14.768 2.234 1.00 0.00 C ATOM 1008 O LEU A 64 15.843 -14.801 1.824 1.00 0.00 O ATOM 1009 CB LEU A 64 14.155 -16.221 4.201 1.00 0.00 C ATOM 1010 CG LEU A 64 12.701 -16.634 4.429 1.00 0.00 C ATOM 1011 CD1 LEU A 64 11.958 -16.723 3.105 1.00 0.00 C ATOM 1012 CD2 LEU A 64 12.633 -17.961 5.171 1.00 0.00 C ATOM 0 H LEU A 64 12.371 -14.218 3.510 1.00 0.00 H new ATOM 0 HA LEU A 64 15.234 -14.362 4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.592 -16.896 3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 64 14.703 -16.366 5.132 1.00 0.00 H new ATOM 0 HG LEU A 64 12.219 -15.873 5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.925 -17.018 3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.976 -15.751 2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.440 -17.463 2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.590 -18.239 5.324 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.132 -18.732 4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 64 13.128 -17.864 6.137 1.00 0.00 H new ATOM 1024 N LYS A 65 13.631 -14.717 1.423 1.00 0.00 N ATOM 1025 CA LYS A 65 13.783 -14.694 -0.027 1.00 0.00 C ATOM 1026 C LYS A 65 14.817 -13.654 -0.449 1.00 0.00 C ATOM 1027 O LYS A 65 15.995 -13.970 -0.621 1.00 0.00 O ATOM 1028 CB LYS A 65 12.440 -14.394 -0.697 1.00 0.00 C ATOM 1029 CG LYS A 65 11.363 -15.418 -0.384 1.00 0.00 C ATOM 1030 CD LYS A 65 11.647 -16.750 -1.059 1.00 0.00 C ATOM 1031 CE LYS A 65 11.783 -17.872 -0.041 1.00 0.00 C ATOM 1032 NZ LYS A 65 11.613 -19.212 -0.668 1.00 0.00 N ATOM 0 H LYS A 65 12.664 -14.691 1.746 1.00 0.00 H new ATOM 0 HA LYS A 65 14.130 -15.677 -0.346 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.097 -13.409 -0.380 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.584 -14.349 -1.777 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.299 -15.562 0.695 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.395 -15.041 -0.713 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.843 -16.985 -1.756 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.564 -16.675 -1.644 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.762 -17.815 0.434 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.039 -17.742 0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.019 -19.940 -0.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.601 -19.403 -0.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.101 -19.230 -1.586 1.00 0.00 H new ATOM 1046 N LEU A 66 14.369 -12.415 -0.614 1.00 0.00 N ATOM 1047 CA LEU A 66 15.256 -11.328 -1.015 1.00 0.00 C ATOM 1048 C LEU A 66 14.470 -10.041 -1.247 1.00 0.00 C ATOM 1049 O LEU A 66 13.276 -9.969 -0.955 1.00 0.00 O ATOM 1050 CB LEU A 66 16.020 -11.708 -2.284 1.00 0.00 C ATOM 1051 CG LEU A 66 15.230 -12.489 -3.334 1.00 0.00 C ATOM 1052 CD1 LEU A 66 14.107 -11.635 -3.903 1.00 0.00 C ATOM 1053 CD2 LEU A 66 16.151 -12.971 -4.446 1.00 0.00 C ATOM 0 H LEU A 66 13.397 -12.137 -0.477 1.00 0.00 H new ATOM 0 HA LEU A 66 15.968 -11.157 -0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.395 -10.795 -2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 66 16.889 -12.300 -1.997 1.00 0.00 H new ATOM 0 HG LEU A 66 14.787 -13.361 -2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.556 -12.208 -4.649 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.431 -11.340 -3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.528 -10.744 -4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 66 15.571 -13.525 -5.184 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.623 -12.113 -4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 66 16.919 -13.621 -4.026 1.00 0.00 H new ATOM 1065 N LYS A 67 15.147 -9.027 -1.775 1.00 0.00 N ATOM 1066 CA LYS A 67 14.513 -7.744 -2.050 1.00 0.00 C ATOM 1067 C LYS A 67 13.430 -7.889 -3.114 1.00 0.00 C ATOM 1068 O LYS A 67 13.335 -8.905 -3.803 1.00 0.00 O ATOM 1069 CB LYS A 67 15.558 -6.723 -2.508 1.00 0.00 C ATOM 1070 CG LYS A 67 15.956 -5.735 -1.425 1.00 0.00 C ATOM 1071 CD LYS A 67 16.915 -4.683 -1.957 1.00 0.00 C ATOM 1072 CE LYS A 67 18.253 -5.293 -2.345 1.00 0.00 C ATOM 1073 NZ LYS A 67 19.344 -4.279 -2.355 1.00 0.00 N ATOM 0 H LYS A 67 16.136 -9.069 -2.021 1.00 0.00 H new ATOM 0 HA LYS A 67 14.048 -7.392 -1.129 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.447 -7.253 -2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.166 -6.173 -3.364 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.064 -5.249 -1.029 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.423 -6.269 -0.597 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.473 -4.192 -2.824 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.070 -3.915 -1.200 1.00 0.00 H new ATOM 0 HE2 LYS A 67 18.505 -6.090 -1.646 1.00 0.00 H new ATOM 0 HE3 LYS A 67 18.172 -5.749 -3.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 20.239 -4.735 -2.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 19.116 -3.531 -3.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 19.439 -3.862 -1.407 1.00 0.00 H new ATOM 1087 N PRO A 68 12.593 -6.850 -3.254 1.00 0.00 N ATOM 1088 CA PRO A 68 11.503 -6.838 -4.234 1.00 0.00 C ATOM 1089 C PRO A 68 12.013 -6.745 -5.668 1.00 0.00 C ATOM 1090 O PRO A 68 11.811 -7.658 -6.468 1.00 0.00 O ATOM 1091 CB PRO A 68 10.709 -5.581 -3.866 1.00 0.00 C ATOM 1092 CG PRO A 68 11.697 -4.694 -3.191 1.00 0.00 C ATOM 1093 CD PRO A 68 12.647 -5.607 -2.466 1.00 0.00 C ATOM 0 HA PRO A 68 10.915 -7.755 -4.201 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.289 -5.104 -4.752 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.875 -5.819 -3.206 1.00 0.00 H new ATOM 0 HG2 PRO A 68 12.227 -4.077 -3.917 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.202 -4.016 -2.497 1.00 0.00 H new ATOM 0 HD2 PRO A 68 13.655 -5.195 -2.434 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.337 -5.772 -1.434 1.00 0.00 H new ATOM 1101 N ASN A 69 12.675 -5.638 -5.985 1.00 0.00 N ATOM 1102 CA ASN A 69 13.214 -5.426 -7.323 1.00 0.00 C ATOM 1103 C ASN A 69 14.165 -6.555 -7.711 1.00 0.00 C ATOM 1104 O ASN A 69 14.414 -6.794 -8.893 1.00 0.00 O ATOM 1105 CB ASN A 69 13.943 -4.083 -7.396 1.00 0.00 C ATOM 1106 CG ASN A 69 14.933 -3.900 -6.261 1.00 0.00 C ATOM 1107 OD1 ASN A 69 14.657 -3.196 -5.290 1.00 0.00 O ATOM 1108 ND2 ASN A 69 16.093 -4.535 -6.380 1.00 0.00 N ATOM 0 H ASN A 69 12.851 -4.873 -5.333 1.00 0.00 H new ATOM 0 HA ASN A 69 12.381 -5.418 -8.026 1.00 0.00 H new ATOM 0 HB2 ASN A 69 14.468 -4.009 -8.348 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.213 -3.274 -7.371 1.00 0.00 H new ATOM 0 HD21 ASN A 69 16.799 -4.450 -5.648 1.00 0.00 H new ATOM 0 HD22 ASN A 69 16.279 -5.108 -7.203 1.00 0.00 H new ATOM 1115 N THR A 70 14.693 -7.248 -6.707 1.00 0.00 N ATOM 1116 CA THR A 70 15.616 -8.351 -6.942 1.00 0.00 C ATOM 1117 C THR A 70 14.900 -9.544 -7.565 1.00 0.00 C ATOM 1118 O THR A 70 13.712 -9.763 -7.326 1.00 0.00 O ATOM 1119 CB THR A 70 16.298 -8.801 -5.636 1.00 0.00 C ATOM 1120 OG1 THR A 70 17.007 -7.703 -5.051 1.00 0.00 O ATOM 1121 CG2 THR A 70 17.259 -9.951 -5.896 1.00 0.00 C ATOM 0 H THR A 70 14.497 -7.065 -5.723 1.00 0.00 H new ATOM 0 HA THR A 70 16.376 -7.985 -7.633 1.00 0.00 H new ATOM 0 HB THR A 70 15.526 -9.143 -4.947 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.635 -8.040 -4.378 1.00 0.00 H new ATOM 0 HG21 THR A 70 17.729 -10.252 -4.959 1.00 0.00 H new ATOM 0 HG22 THR A 70 16.711 -10.795 -6.315 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.027 -9.631 -6.601 1.00 0.00 H new ATOM 1129 N LYS A 71 15.629 -10.314 -8.366 1.00 0.00 N ATOM 1130 CA LYS A 71 15.065 -11.487 -9.022 1.00 0.00 C ATOM 1131 C LYS A 71 15.385 -12.756 -8.239 1.00 0.00 C ATOM 1132 O LYS A 71 16.451 -12.870 -7.633 1.00 0.00 O ATOM 1133 CB LYS A 71 15.604 -11.606 -10.450 1.00 0.00 C ATOM 1134 CG LYS A 71 15.594 -10.294 -11.215 1.00 0.00 C ATOM 1135 CD LYS A 71 16.975 -9.662 -11.256 1.00 0.00 C ATOM 1136 CE LYS A 71 17.173 -8.835 -12.517 1.00 0.00 C ATOM 1137 NZ LYS A 71 18.366 -7.950 -12.419 1.00 0.00 N ATOM 0 H LYS A 71 16.613 -10.146 -8.576 1.00 0.00 H new ATOM 0 HA LYS A 71 13.982 -11.367 -9.057 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.624 -11.988 -10.414 1.00 0.00 H new ATOM 0 HB3 LYS A 71 15.008 -12.339 -10.994 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.242 -10.467 -12.232 1.00 0.00 H new ATOM 0 HG3 LYS A 71 14.891 -9.605 -10.747 1.00 0.00 H new ATOM 0 HD2 LYS A 71 17.113 -9.029 -10.379 1.00 0.00 H new ATOM 0 HD3 LYS A 71 17.735 -10.442 -11.208 1.00 0.00 H new ATOM 0 HE2 LYS A 71 17.284 -9.500 -13.374 1.00 0.00 H new ATOM 0 HE3 LYS A 71 16.285 -8.229 -12.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 18.466 -7.403 -13.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 18.250 -7.298 -11.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 19.217 -8.530 -12.273 1.00 0.00 H new ATOM 1151 N ILE A 72 14.458 -13.707 -8.258 1.00 0.00 N ATOM 1152 CA ILE A 72 14.644 -14.969 -7.551 1.00 0.00 C ATOM 1153 C ILE A 72 14.689 -16.142 -8.524 1.00 0.00 C ATOM 1154 O ILE A 72 14.171 -16.058 -9.637 1.00 0.00 O ATOM 1155 CB ILE A 72 13.521 -15.210 -6.525 1.00 0.00 C ATOM 1156 CG1 ILE A 72 12.586 -14.000 -6.465 1.00 0.00 C ATOM 1157 CG2 ILE A 72 14.110 -15.500 -5.153 1.00 0.00 C ATOM 1158 CD1 ILE A 72 11.563 -14.082 -5.354 1.00 0.00 C ATOM 0 H ILE A 72 13.571 -13.628 -8.755 1.00 0.00 H new ATOM 0 HA ILE A 72 15.596 -14.899 -7.025 1.00 0.00 H new ATOM 0 HB ILE A 72 12.941 -16.078 -6.840 1.00 0.00 H new ATOM 0 HG12 ILE A 72 13.182 -13.097 -6.333 1.00 0.00 H new ATOM 0 HG13 ILE A 72 12.068 -13.904 -7.419 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.304 -15.668 -4.439 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.738 -16.389 -5.207 1.00 0.00 H new ATOM 0 HG23 ILE A 72 14.711 -14.651 -4.828 1.00 0.00 H new ATOM 0 HD11 ILE A 72 10.935 -13.191 -5.371 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.942 -14.967 -5.496 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.074 -14.147 -4.393 1.00 0.00 H new ATOM 1170 N MET A 73 15.311 -17.236 -8.095 1.00 0.00 N ATOM 1171 CA MET A 73 15.421 -18.428 -8.928 1.00 0.00 C ATOM 1172 C MET A 73 14.539 -19.550 -8.390 1.00 0.00 C ATOM 1173 O MET A 73 14.483 -19.783 -7.183 1.00 0.00 O ATOM 1174 CB MET A 73 16.876 -18.895 -8.996 1.00 0.00 C ATOM 1175 CG MET A 73 17.647 -18.312 -10.169 1.00 0.00 C ATOM 1176 SD MET A 73 18.972 -19.395 -10.736 1.00 0.00 S ATOM 1177 CE MET A 73 20.371 -18.278 -10.676 1.00 0.00 C ATOM 0 H MET A 73 15.746 -17.321 -7.176 1.00 0.00 H new ATOM 0 HA MET A 73 15.081 -18.173 -9.932 1.00 0.00 H new ATOM 0 HB2 MET A 73 17.380 -18.622 -8.069 1.00 0.00 H new ATOM 0 HB3 MET A 73 16.897 -19.983 -9.062 1.00 0.00 H new ATOM 0 HG2 MET A 73 16.959 -18.124 -10.993 1.00 0.00 H new ATOM 0 HG3 MET A 73 18.069 -17.349 -9.879 1.00 0.00 H new ATOM 0 HE1 MET A 73 21.270 -18.803 -11.000 1.00 0.00 H new ATOM 0 HE2 MET A 73 20.188 -17.430 -11.336 1.00 0.00 H new ATOM 0 HE3 MET A 73 20.507 -17.920 -9.655 1.00 0.00 H new ATOM 1187 N MET A 74 13.851 -20.241 -9.293 1.00 0.00 N ATOM 1188 CA MET A 74 12.973 -21.339 -8.908 1.00 0.00 C ATOM 1189 C MET A 74 13.638 -22.686 -9.172 1.00 0.00 C ATOM 1190 O MET A 74 14.097 -22.956 -10.281 1.00 0.00 O ATOM 1191 CB MET A 74 11.649 -21.254 -9.671 1.00 0.00 C ATOM 1192 CG MET A 74 10.691 -20.216 -9.111 1.00 0.00 C ATOM 1193 SD MET A 74 9.144 -20.128 -10.033 1.00 0.00 S ATOM 1194 CE MET A 74 8.030 -20.965 -8.908 1.00 0.00 C ATOM 0 H MET A 74 13.885 -20.060 -10.296 1.00 0.00 H new ATOM 0 HA MET A 74 12.775 -21.254 -7.839 1.00 0.00 H new ATOM 0 HB2 MET A 74 11.855 -21.020 -10.715 1.00 0.00 H new ATOM 0 HB3 MET A 74 11.165 -22.231 -9.653 1.00 0.00 H new ATOM 0 HG2 MET A 74 10.475 -20.451 -8.069 1.00 0.00 H new ATOM 0 HG3 MET A 74 11.173 -19.238 -9.124 1.00 0.00 H new ATOM 0 HE1 MET A 74 7.019 -20.944 -9.315 1.00 0.00 H new ATOM 0 HE2 MET A 74 8.350 -21.999 -8.782 1.00 0.00 H new ATOM 0 HE3 MET A 74 8.043 -20.461 -7.942 1.00 0.00 H new ATOM 1204 N MET A 75 13.688 -23.528 -8.144 1.00 0.00 N ATOM 1205 CA MET A 75 14.298 -24.847 -8.266 1.00 0.00 C ATOM 1206 C MET A 75 13.280 -25.945 -7.974 1.00 0.00 C ATOM 1207 O MET A 75 12.839 -26.109 -6.837 1.00 0.00 O ATOM 1208 CB MET A 75 15.488 -24.972 -7.314 1.00 0.00 C ATOM 1209 CG MET A 75 16.395 -23.752 -7.311 1.00 0.00 C ATOM 1210 SD MET A 75 18.124 -24.171 -7.606 1.00 0.00 S ATOM 1211 CE MET A 75 18.316 -23.637 -9.305 1.00 0.00 C ATOM 0 H MET A 75 13.314 -23.320 -7.218 1.00 0.00 H new ATOM 0 HA MET A 75 14.649 -24.965 -9.291 1.00 0.00 H new ATOM 0 HB2 MET A 75 15.118 -25.142 -6.303 1.00 0.00 H new ATOM 0 HB3 MET A 75 16.073 -25.849 -7.590 1.00 0.00 H new ATOM 0 HG2 MET A 75 16.059 -23.052 -8.076 1.00 0.00 H new ATOM 0 HG3 MET A 75 16.307 -23.241 -6.352 1.00 0.00 H new ATOM 0 HE1 MET A 75 19.337 -23.830 -9.634 1.00 0.00 H new ATOM 0 HE2 MET A 75 17.620 -24.186 -9.940 1.00 0.00 H new ATOM 0 HE3 MET A 75 18.108 -22.569 -9.377 1.00 0.00 H new ATOM 1221 N GLY A 76 12.911 -26.694 -9.008 1.00 0.00 N ATOM 1222 CA GLY A 76 11.947 -27.767 -8.841 1.00 0.00 C ATOM 1223 C GLY A 76 11.389 -28.257 -10.162 1.00 0.00 C ATOM 1224 O GLY A 76 12.026 -28.112 -11.207 1.00 0.00 O ATOM 0 H GLY A 76 13.262 -26.577 -9.959 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.421 -28.599 -8.320 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.128 -27.420 -8.211 1.00 0.00 H new ATOM 1228 N THR A 77 10.196 -28.841 -10.119 1.00 0.00 N ATOM 1229 CA THR A 77 9.553 -29.356 -11.322 1.00 0.00 C ATOM 1230 C THR A 77 8.073 -28.993 -11.353 1.00 0.00 C ATOM 1231 O THR A 77 7.407 -28.973 -10.318 1.00 0.00 O ATOM 1232 CB THR A 77 9.697 -30.887 -11.423 1.00 0.00 C ATOM 1233 OG1 THR A 77 9.251 -31.337 -12.707 1.00 0.00 O ATOM 1234 CG2 THR A 77 8.896 -31.579 -10.331 1.00 0.00 C ATOM 0 H THR A 77 9.655 -28.969 -9.264 1.00 0.00 H new ATOM 0 HA THR A 77 10.055 -28.894 -12.172 1.00 0.00 H new ATOM 0 HB THR A 77 10.749 -31.140 -11.295 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.347 -32.311 -12.764 1.00 0.00 H new ATOM 0 HG21 THR A 77 9.013 -32.659 -10.423 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.258 -31.256 -9.355 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.842 -31.318 -10.432 1.00 0.00 H new ATOM 1242 N ARG A 78 7.564 -28.708 -12.547 1.00 0.00 N ATOM 1243 CA ARG A 78 6.162 -28.345 -12.712 1.00 0.00 C ATOM 1244 C ARG A 78 5.301 -29.586 -12.930 1.00 0.00 C ATOM 1245 O ARG A 78 5.806 -30.646 -13.298 1.00 0.00 O ATOM 1246 CB ARG A 78 5.997 -27.384 -13.891 1.00 0.00 C ATOM 1247 CG ARG A 78 6.436 -27.971 -15.222 1.00 0.00 C ATOM 1248 CD ARG A 78 7.667 -27.261 -15.765 1.00 0.00 C ATOM 1249 NE ARG A 78 7.636 -27.150 -17.221 1.00 0.00 N ATOM 1250 CZ ARG A 78 8.713 -26.920 -17.963 1.00 0.00 C ATOM 1251 NH1 ARG A 78 9.900 -26.779 -17.389 1.00 0.00 N ATOM 1252 NH2 ARG A 78 8.605 -26.832 -19.283 1.00 0.00 N ATOM 0 H ARG A 78 8.101 -28.721 -13.414 1.00 0.00 H new ATOM 0 HA ARG A 78 5.831 -27.850 -11.799 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.951 -27.086 -13.962 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.573 -26.480 -13.695 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.651 -29.032 -15.100 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.622 -27.892 -15.942 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.734 -26.265 -15.327 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.562 -27.804 -15.462 1.00 0.00 H new ATOM 0 HE ARG A 78 6.738 -27.255 -17.694 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.987 -26.847 -16.375 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.726 -26.602 -17.961 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.694 -26.941 -19.729 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.433 -26.655 -19.852 1.00 0.00 H new ATOM 1266 N GLU A 79 3.999 -29.445 -12.700 1.00 0.00 N ATOM 1267 CA GLU A 79 3.070 -30.556 -12.870 1.00 0.00 C ATOM 1268 C GLU A 79 1.863 -30.132 -13.703 1.00 0.00 C ATOM 1269 O GLU A 79 1.621 -28.942 -13.903 1.00 0.00 O ATOM 1270 CB GLU A 79 2.606 -31.075 -11.508 1.00 0.00 C ATOM 1271 CG GLU A 79 2.178 -29.976 -10.551 1.00 0.00 C ATOM 1272 CD GLU A 79 0.905 -29.281 -10.992 1.00 0.00 C ATOM 1273 OE1 GLU A 79 -0.154 -29.944 -11.017 1.00 0.00 O ATOM 1274 OE2 GLU A 79 0.966 -28.076 -11.312 1.00 0.00 O ATOM 0 H GLU A 79 3.564 -28.574 -12.396 1.00 0.00 H new ATOM 0 HA GLU A 79 3.591 -31.355 -13.397 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.772 -31.762 -11.655 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.414 -31.647 -11.052 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.030 -30.401 -9.558 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.978 -29.241 -10.467 1.00 0.00 H new ATOM 1281 N GLU A 80 1.110 -31.116 -14.186 1.00 0.00 N ATOM 1282 CA GLU A 80 -0.071 -30.845 -14.998 1.00 0.00 C ATOM 1283 C GLU A 80 -1.347 -31.037 -14.183 1.00 0.00 C ATOM 1284 O GLU A 80 -2.212 -30.162 -14.150 1.00 0.00 O ATOM 1285 CB GLU A 80 -0.094 -31.758 -16.225 1.00 0.00 C ATOM 1286 CG GLU A 80 -0.823 -31.160 -17.416 1.00 0.00 C ATOM 1287 CD GLU A 80 -2.331 -31.266 -17.290 1.00 0.00 C ATOM 1288 OE1 GLU A 80 -2.811 -32.299 -16.778 1.00 0.00 O ATOM 1289 OE2 GLU A 80 -3.030 -30.317 -17.704 1.00 0.00 O ATOM 0 H GLU A 80 1.297 -32.106 -14.029 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.024 -29.807 -15.328 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.931 -31.988 -16.515 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.568 -32.702 -15.956 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.544 -30.112 -17.519 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.502 -31.667 -18.326 1.00 0.00 H new ATOM 1296 N SER A 81 -1.456 -32.188 -13.528 1.00 0.00 N ATOM 1297 CA SER A 81 -2.628 -32.497 -12.717 1.00 0.00 C ATOM 1298 C SER A 81 -2.818 -31.457 -11.617 1.00 0.00 C ATOM 1299 O SER A 81 -3.370 -31.752 -10.559 1.00 0.00 O ATOM 1300 CB SER A 81 -2.493 -33.890 -12.098 1.00 0.00 C ATOM 1301 OG SER A 81 -2.528 -34.897 -13.095 1.00 0.00 O ATOM 0 H SER A 81 -0.748 -32.922 -13.543 1.00 0.00 H new ATOM 0 HA SER A 81 -3.503 -32.478 -13.366 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.557 -33.956 -11.543 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.299 -34.053 -11.383 1.00 0.00 H new ATOM 0 HG SER A 81 -2.438 -35.777 -12.674 1.00 0.00 H new TER 1307 SER A 81