USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 608 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 31 GLN : amide:sc= -0.592 K(o=-0.6,f=-0.0057) USER MOD Set 1.2: A 38 THR OG1 : rot 180:sc=-0.00572 USER MOD Set 2.1: A 27 GLN : amide:sc= 0.0326 X(o=0.08,f=0.49) USER MOD Set 2.2: A 89 SER OG : rot 180:sc= 0.0472 USER MOD Single : A 20 THR OG1 : rot 26:sc= 0.11 USER MOD Single : A 22 THR OG1 : rot 41:sc= 0.156 USER MOD Single : A 23 SER OG : rot 180:sc= 0.00126 USER MOD Single : A 24 GLN : amide:sc= -4.38! C(o=-4.4!,f=-6!) USER MOD Single : A 25 GLN : amide:sc= 0.125 K(o=0.13,f=-3.8!) USER MOD Single : A 33 LYS NZ :NH3+ 137:sc= 0.503 (180deg=-0.107) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 37 GLN : amide:sc= -1.01 K(o=-1,f=-2.2!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.659 USER MOD Single : A 50 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0453) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -175:sc= -0.25 (180deg=-0.279) USER MOD Single : A 54 SER OG : rot -10:sc= 0.411 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0137 USER MOD Single : A 60 MET CE :methyl 164:sc= -0.932 (180deg=-1.43) USER MOD Single : A 63 SER OG : rot 47:sc= 0.0759 USER MOD Single : A 66 LYS NZ :NH3+ -130:sc= 0.438 (180deg=0.0498) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 164:sc= 0.929 (180deg=0.669) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 175:sc= -3.95! (180deg=-3.97!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 20 0.429 5.276 14.826 1.00 0.00 N ATOM 2 CA THR A 20 -0.975 4.816 14.880 1.00 0.00 C ATOM 3 C THR A 20 -1.035 3.306 15.187 1.00 0.00 C ATOM 4 O THR A 20 -0.364 2.513 14.521 1.00 0.00 O ATOM 5 CB THR A 20 -1.699 5.125 13.532 1.00 0.00 C ATOM 6 OG1 THR A 20 -1.589 6.531 13.235 1.00 0.00 O ATOM 7 CG2 THR A 20 -3.182 4.723 13.565 1.00 0.00 C ATOM 0 HA THR A 20 -1.485 5.353 15.680 1.00 0.00 H new ATOM 0 HB THR A 20 -1.213 4.535 12.755 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.787 6.894 13.665 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.644 4.957 12.606 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.265 3.653 13.756 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.691 5.273 14.356 1.00 0.00 H new ATOM 15 N GLU A 21 -1.840 2.926 16.200 1.00 0.00 N ATOM 16 CA GLU A 21 -2.047 1.512 16.593 1.00 0.00 C ATOM 17 C GLU A 21 -3.372 0.962 16.024 1.00 0.00 C ATOM 18 O GLU A 21 -3.507 -0.248 15.807 1.00 0.00 O ATOM 19 CB GLU A 21 -2.013 1.372 18.137 1.00 0.00 C ATOM 20 CG GLU A 21 -3.114 2.153 18.886 1.00 0.00 C ATOM 21 CD GLU A 21 -3.083 1.926 20.405 1.00 0.00 C ATOM 22 OE1 GLU A 21 -3.529 0.850 20.858 1.00 0.00 O ATOM 23 OE2 GLU A 21 -2.591 2.803 21.150 1.00 0.00 O ATOM 0 H GLU A 21 -2.366 3.588 16.770 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.234 0.920 16.171 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.099 0.316 18.393 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.041 1.709 18.496 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.000 3.217 18.681 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.089 1.856 18.500 1.00 0.00 H new ATOM 30 N THR A 22 -4.346 1.864 15.801 1.00 0.00 N ATOM 31 CA THR A 22 -5.641 1.529 15.184 1.00 0.00 C ATOM 32 C THR A 22 -5.427 1.210 13.687 1.00 0.00 C ATOM 33 O THR A 22 -4.894 2.060 12.965 1.00 0.00 O ATOM 34 CB THR A 22 -6.665 2.705 15.365 1.00 0.00 C ATOM 35 OG1 THR A 22 -6.086 3.931 14.893 1.00 0.00 O ATOM 36 CG2 THR A 22 -7.090 2.882 16.836 1.00 0.00 C ATOM 0 H THR A 22 -4.255 2.850 16.045 1.00 0.00 H new ATOM 0 HA THR A 22 -6.057 0.652 15.679 1.00 0.00 H new ATOM 0 HB THR A 22 -7.553 2.455 14.784 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.588 3.761 14.066 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.799 3.707 16.913 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.560 1.965 17.192 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.212 3.100 17.445 1.00 0.00 H new ATOM 44 N SER A 23 -5.808 -0.021 13.264 1.00 0.00 N ATOM 45 CA SER A 23 -5.511 -0.608 11.926 1.00 0.00 C ATOM 46 C SER A 23 -5.629 0.413 10.765 1.00 0.00 C ATOM 47 O SER A 23 -6.728 0.770 10.324 1.00 0.00 O ATOM 48 CB SER A 23 -6.444 -1.815 11.682 1.00 0.00 C ATOM 49 OG SER A 23 -6.335 -2.758 12.735 1.00 0.00 O ATOM 0 H SER A 23 -6.345 -0.653 13.858 1.00 0.00 H new ATOM 0 HA SER A 23 -4.469 -0.929 11.937 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.475 -1.472 11.600 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.190 -2.290 10.735 1.00 0.00 H new ATOM 0 HG SER A 23 -6.935 -3.513 12.561 1.00 0.00 H new ATOM 55 N GLN A 24 -4.454 0.899 10.340 1.00 0.00 N ATOM 56 CA GLN A 24 -4.298 2.013 9.392 1.00 0.00 C ATOM 57 C GLN A 24 -4.468 1.544 7.942 1.00 0.00 C ATOM 58 O GLN A 24 -5.043 2.244 7.097 1.00 0.00 O ATOM 59 CB GLN A 24 -2.911 2.682 9.620 1.00 0.00 C ATOM 60 CG GLN A 24 -2.674 4.011 8.871 1.00 0.00 C ATOM 61 CD GLN A 24 -3.639 5.148 9.237 1.00 0.00 C ATOM 62 OE1 GLN A 24 -3.937 6.002 8.411 1.00 0.00 O ATOM 63 NE2 GLN A 24 -4.138 5.176 10.464 1.00 0.00 N ATOM 0 H GLN A 24 -3.561 0.518 10.654 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.081 2.749 9.572 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.787 2.862 10.688 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.135 1.976 9.323 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.655 4.344 9.067 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.748 3.824 7.800 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.877 4.455 11.137 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.783 5.918 10.735 1.00 0.00 H new ATOM 72 N GLN A 25 -3.944 0.351 7.682 1.00 0.00 N ATOM 73 CA GLN A 25 -3.717 -0.168 6.327 1.00 0.00 C ATOM 74 C GLN A 25 -4.932 -0.935 5.775 1.00 0.00 C ATOM 75 O GLN A 25 -5.607 -1.675 6.487 1.00 0.00 O ATOM 76 CB GLN A 25 -2.415 -1.026 6.289 1.00 0.00 C ATOM 77 CG GLN A 25 -2.207 -1.957 7.504 1.00 0.00 C ATOM 78 CD GLN A 25 -1.373 -1.337 8.629 1.00 0.00 C ATOM 79 OE1 GLN A 25 -1.904 -0.695 9.542 1.00 0.00 O ATOM 80 NE2 GLN A 25 -0.063 -1.525 8.567 1.00 0.00 N ATOM 0 H GLN A 25 -3.658 -0.298 8.415 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.583 0.686 5.664 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.425 -1.633 5.384 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.559 -0.356 6.214 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.181 -2.241 7.902 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.721 -2.873 7.168 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.340 -2.061 7.798 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.543 -1.134 9.288 1.00 0.00 H new ATOM 89 N LEU A 26 -5.141 -0.748 4.466 1.00 0.00 N ATOM 90 CA LEU A 26 -6.303 -1.204 3.710 1.00 0.00 C ATOM 91 C LEU A 26 -5.871 -2.339 2.783 1.00 0.00 C ATOM 92 O LEU A 26 -4.748 -2.308 2.256 1.00 0.00 O ATOM 93 CB LEU A 26 -6.850 -0.019 2.856 1.00 0.00 C ATOM 94 CG LEU A 26 -7.146 1.311 3.620 1.00 0.00 C ATOM 95 CD1 LEU A 26 -7.640 2.420 2.657 1.00 0.00 C ATOM 96 CD2 LEU A 26 -8.134 1.085 4.781 1.00 0.00 C ATOM 0 H LEU A 26 -4.469 -0.250 3.882 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.080 -1.555 4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.129 0.194 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.769 -0.345 2.369 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.208 1.655 4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.836 3.331 3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.875 2.617 1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.556 2.093 2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.318 2.030 5.291 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.073 0.695 4.389 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.710 0.369 5.485 1.00 0.00 H new ATOM 108 N GLN A 27 -6.756 -3.319 2.558 1.00 0.00 N ATOM 109 CA GLN A 27 -6.488 -4.405 1.606 1.00 0.00 C ATOM 110 C GLN A 27 -6.846 -3.883 0.207 1.00 0.00 C ATOM 111 O GLN A 27 -8.026 -3.842 -0.175 1.00 0.00 O ATOM 112 CB GLN A 27 -7.348 -5.653 1.957 1.00 0.00 C ATOM 113 CG GLN A 27 -7.371 -6.012 3.453 1.00 0.00 C ATOM 114 CD GLN A 27 -8.403 -7.087 3.791 1.00 0.00 C ATOM 115 OE1 GLN A 27 -8.102 -8.277 3.803 1.00 0.00 O ATOM 116 NE2 GLN A 27 -9.641 -6.669 4.023 1.00 0.00 N ATOM 0 H GLN A 27 -7.662 -3.382 3.021 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.441 -4.705 1.646 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.371 -5.480 1.622 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.970 -6.508 1.397 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.382 -6.358 3.754 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.585 -5.115 4.034 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.854 -5.672 4.005 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.379 -7.345 4.219 1.00 0.00 H new ATOM 125 N LEU A 28 -5.828 -3.442 -0.539 1.00 0.00 N ATOM 126 CA LEU A 28 -6.014 -2.952 -1.908 1.00 0.00 C ATOM 127 C LEU A 28 -5.443 -3.989 -2.877 1.00 0.00 C ATOM 128 O LEU A 28 -4.261 -4.357 -2.782 1.00 0.00 O ATOM 129 CB LEU A 28 -5.328 -1.573 -2.094 1.00 0.00 C ATOM 130 CG LEU A 28 -5.780 -0.454 -1.096 1.00 0.00 C ATOM 131 CD1 LEU A 28 -5.012 0.859 -1.329 1.00 0.00 C ATOM 132 CD2 LEU A 28 -7.304 -0.221 -1.166 1.00 0.00 C ATOM 0 H LEU A 28 -4.861 -3.415 -0.215 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.076 -2.813 -2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.251 -1.707 -1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.517 -1.227 -3.110 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.539 -0.803 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.353 1.611 -0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.945 0.686 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.193 1.211 -2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.585 0.562 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.579 0.084 -2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.825 -1.144 -0.911 1.00 0.00 H new ATOM 144 N ARG A 29 -6.299 -4.479 -3.780 1.00 0.00 N ATOM 145 CA ARG A 29 -5.923 -5.476 -4.785 1.00 0.00 C ATOM 146 C ARG A 29 -5.412 -4.757 -6.024 1.00 0.00 C ATOM 147 O ARG A 29 -6.013 -3.793 -6.474 1.00 0.00 O ATOM 148 CB ARG A 29 -7.119 -6.400 -5.108 1.00 0.00 C ATOM 149 CG ARG A 29 -7.538 -7.286 -3.919 1.00 0.00 C ATOM 150 CD ARG A 29 -8.678 -8.253 -4.258 1.00 0.00 C ATOM 151 NE ARG A 29 -8.888 -9.215 -3.159 1.00 0.00 N ATOM 152 CZ ARG A 29 -9.752 -9.071 -2.146 1.00 0.00 C ATOM 153 NH1 ARG A 29 -10.546 -8.003 -2.067 1.00 0.00 N ATOM 154 NH2 ARG A 29 -9.809 -10.002 -1.205 1.00 0.00 N ATOM 0 H ARG A 29 -7.277 -4.193 -3.834 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.127 -6.113 -4.398 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.968 -5.790 -5.416 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.860 -7.037 -5.954 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.675 -7.858 -3.578 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.845 -6.649 -3.090 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.596 -7.693 -4.438 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.446 -8.789 -5.178 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.325 -10.065 -3.172 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.501 -7.280 -2.785 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.198 -7.909 -1.289 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.199 -10.818 -1.257 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.463 -9.903 -0.429 1.00 0.00 H new ATOM 168 N VAL A 30 -4.286 -5.227 -6.550 1.00 0.00 N ATOM 169 CA VAL A 30 -3.539 -4.555 -7.618 1.00 0.00 C ATOM 170 C VAL A 30 -3.344 -5.553 -8.764 1.00 0.00 C ATOM 171 O VAL A 30 -2.896 -6.672 -8.529 1.00 0.00 O ATOM 172 CB VAL A 30 -2.128 -4.038 -7.121 1.00 0.00 C ATOM 173 CG1 VAL A 30 -1.589 -2.928 -8.035 1.00 0.00 C ATOM 174 CG2 VAL A 30 -2.149 -3.586 -5.640 1.00 0.00 C ATOM 0 H VAL A 30 -3.856 -6.100 -6.244 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.106 -3.684 -7.946 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.445 -4.886 -7.179 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.619 -2.593 -7.668 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.480 -3.312 -9.049 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.285 -2.089 -8.038 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.156 -3.241 -5.351 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.865 -2.774 -5.518 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.440 -4.425 -5.008 1.00 0.00 H new ATOM 184 N GLN A 31 -3.675 -5.154 -9.997 1.00 0.00 N ATOM 185 CA GLN A 31 -3.609 -6.043 -11.177 1.00 0.00 C ATOM 186 C GLN A 31 -2.921 -5.327 -12.334 1.00 0.00 C ATOM 187 O GLN A 31 -3.121 -4.130 -12.518 1.00 0.00 O ATOM 188 CB GLN A 31 -5.026 -6.495 -11.620 1.00 0.00 C ATOM 189 CG GLN A 31 -5.794 -7.327 -10.575 1.00 0.00 C ATOM 190 CD GLN A 31 -7.219 -7.713 -11.000 1.00 0.00 C ATOM 191 OE1 GLN A 31 -7.721 -8.775 -10.624 1.00 0.00 O ATOM 192 NE2 GLN A 31 -7.905 -6.843 -11.738 1.00 0.00 N ATOM 0 H GLN A 31 -3.996 -4.210 -10.212 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.035 -6.927 -10.898 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.615 -5.611 -11.864 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.936 -7.080 -12.535 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.231 -8.236 -10.366 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.845 -6.762 -9.644 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.468 -5.971 -12.037 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.868 -7.048 -12.005 1.00 0.00 H new ATOM 201 N GLY A 32 -2.145 -6.084 -13.130 1.00 0.00 N ATOM 202 CA GLY A 32 -1.507 -5.553 -14.340 1.00 0.00 C ATOM 203 C GLY A 32 -2.451 -5.511 -15.530 1.00 0.00 C ATOM 204 O GLY A 32 -3.587 -5.996 -15.435 1.00 0.00 O ATOM 0 H GLY A 32 -1.946 -7.069 -12.953 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.137 -4.548 -14.139 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.642 -6.167 -14.589 1.00 0.00 H new ATOM 208 N LYS A 33 -1.998 -4.874 -16.641 1.00 0.00 N ATOM 209 CA LYS A 33 -2.586 -5.022 -17.996 1.00 0.00 C ATOM 210 C LYS A 33 -2.966 -6.484 -18.316 1.00 0.00 C ATOM 211 O LYS A 33 -3.939 -6.753 -19.029 1.00 0.00 O ATOM 212 CB LYS A 33 -1.568 -4.488 -19.047 1.00 0.00 C ATOM 213 CG LYS A 33 -0.173 -5.173 -18.993 1.00 0.00 C ATOM 214 CD LYS A 33 0.772 -4.720 -20.127 1.00 0.00 C ATOM 215 CE LYS A 33 2.133 -5.441 -20.084 1.00 0.00 C ATOM 216 NZ LYS A 33 2.002 -6.923 -20.170 1.00 0.00 N ATOM 0 H LYS A 33 -1.203 -4.235 -16.619 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.509 -4.443 -18.031 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.988 -4.624 -20.044 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.439 -3.416 -18.899 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.294 -4.957 -18.032 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.304 -6.254 -19.048 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.295 -4.907 -21.089 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.932 -3.644 -20.054 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.753 -5.087 -20.907 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.649 -5.179 -19.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.724 -7.298 -20.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.134 -7.339 -19.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.056 -7.168 -20.527 1.00 0.00 H new ATOM 230 N GLU A 34 -2.151 -7.402 -17.780 1.00 0.00 N ATOM 231 CA GLU A 34 -2.418 -8.835 -17.730 1.00 0.00 C ATOM 232 C GLU A 34 -3.097 -9.122 -16.368 1.00 0.00 C ATOM 233 O GLU A 34 -2.446 -9.064 -15.323 1.00 0.00 O ATOM 234 CB GLU A 34 -1.064 -9.607 -17.913 1.00 0.00 C ATOM 235 CG GLU A 34 0.121 -9.074 -17.055 1.00 0.00 C ATOM 236 CD GLU A 34 1.488 -9.677 -17.422 1.00 0.00 C ATOM 237 OE1 GLU A 34 2.162 -9.126 -18.323 1.00 0.00 O ATOM 238 OE2 GLU A 34 1.900 -10.685 -16.810 1.00 0.00 O ATOM 0 H GLU A 34 -1.258 -7.153 -17.356 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.082 -9.169 -18.527 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.226 -10.657 -17.668 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.779 -9.565 -18.964 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.174 -7.991 -17.162 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.084 -9.280 -16.005 1.00 0.00 H new ATOM 245 N LYS A 35 -4.422 -9.374 -16.380 1.00 0.00 N ATOM 246 CA LYS A 35 -5.242 -9.423 -15.139 1.00 0.00 C ATOM 247 C LYS A 35 -4.941 -10.677 -14.283 1.00 0.00 C ATOM 248 O LYS A 35 -5.333 -10.735 -13.117 1.00 0.00 O ATOM 249 CB LYS A 35 -6.761 -9.322 -15.470 1.00 0.00 C ATOM 250 CG LYS A 35 -7.403 -10.600 -16.070 1.00 0.00 C ATOM 251 CD LYS A 35 -8.871 -10.386 -16.528 1.00 0.00 C ATOM 252 CE LYS A 35 -9.794 -9.831 -15.420 1.00 0.00 C ATOM 253 NZ LYS A 35 -9.903 -10.734 -14.243 1.00 0.00 N ATOM 0 H LYS A 35 -4.953 -9.548 -17.233 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.963 -8.557 -14.539 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.297 -9.062 -14.557 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.908 -8.500 -16.171 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.808 -10.933 -16.920 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.373 -11.398 -15.328 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.881 -9.700 -17.375 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.274 -11.335 -16.882 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.417 -8.862 -15.093 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.788 -9.663 -15.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.535 -10.307 -13.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.290 -11.651 -14.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.961 -10.876 -13.826 1.00 0.00 H new ATOM 267 N HIS A 36 -4.246 -11.674 -14.877 1.00 0.00 N ATOM 268 CA HIS A 36 -3.741 -12.859 -14.145 1.00 0.00 C ATOM 269 C HIS A 36 -2.672 -12.430 -13.113 1.00 0.00 C ATOM 270 O HIS A 36 -2.515 -13.066 -12.069 1.00 0.00 O ATOM 271 CB HIS A 36 -3.150 -13.900 -15.137 1.00 0.00 C ATOM 272 CG HIS A 36 -2.526 -15.108 -14.476 1.00 0.00 C ATOM 273 ND1 HIS A 36 -1.178 -15.192 -14.186 1.00 0.00 N ATOM 274 CD2 HIS A 36 -3.074 -16.259 -14.011 1.00 0.00 C ATOM 275 CE1 HIS A 36 -0.929 -16.333 -13.574 1.00 0.00 C ATOM 276 NE2 HIS A 36 -2.060 -16.998 -13.454 1.00 0.00 N ATOM 0 H HIS A 36 -4.020 -11.680 -15.872 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.573 -13.323 -13.616 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.942 -14.236 -15.807 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -2.397 -13.409 -15.754 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -4.115 -16.541 -14.068 1.00 0.00 H new ATOM 0 HE1 HIS A 36 0.039 -16.666 -13.229 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.165 -17.914 -13.018 1.00 0.00 H new ATOM 285 N GLN A 37 -1.933 -11.354 -13.442 1.00 0.00 N ATOM 286 CA GLN A 37 -0.952 -10.738 -12.537 1.00 0.00 C ATOM 287 C GLN A 37 -1.712 -9.968 -11.437 1.00 0.00 C ATOM 288 O GLN A 37 -2.049 -8.798 -11.609 1.00 0.00 O ATOM 289 CB GLN A 37 -0.010 -9.793 -13.349 1.00 0.00 C ATOM 290 CG GLN A 37 1.237 -9.296 -12.601 1.00 0.00 C ATOM 291 CD GLN A 37 2.222 -10.419 -12.280 1.00 0.00 C ATOM 292 OE1 GLN A 37 2.156 -11.039 -11.219 1.00 0.00 O ATOM 293 NE2 GLN A 37 3.112 -10.710 -13.217 1.00 0.00 N ATOM 0 H GLN A 37 -2.002 -10.888 -14.347 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.332 -11.501 -12.066 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.313 -10.317 -14.249 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.586 -8.927 -13.674 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.739 -8.540 -13.204 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.930 -8.812 -11.674 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.135 -10.172 -14.083 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.775 -11.472 -13.072 1.00 0.00 H new ATOM 302 N THR A 38 -2.056 -10.673 -10.345 1.00 0.00 N ATOM 303 CA THR A 38 -2.852 -10.122 -9.235 1.00 0.00 C ATOM 304 C THR A 38 -2.063 -10.228 -7.916 1.00 0.00 C ATOM 305 O THR A 38 -1.578 -11.308 -7.558 1.00 0.00 O ATOM 306 CB THR A 38 -4.216 -10.882 -9.108 1.00 0.00 C ATOM 307 OG1 THR A 38 -4.901 -10.874 -10.374 1.00 0.00 O ATOM 308 CG2 THR A 38 -5.135 -10.265 -8.039 1.00 0.00 C ATOM 0 H THR A 38 -1.788 -11.647 -10.207 1.00 0.00 H new ATOM 0 HA THR A 38 -3.058 -9.072 -9.443 1.00 0.00 H new ATOM 0 HB THR A 38 -3.984 -11.903 -8.804 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.752 -11.352 -10.288 1.00 0.00 H new ATOM 0 HG21 THR A 38 -6.067 -10.829 -7.991 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.639 -10.300 -7.069 1.00 0.00 H new ATOM 0 HG23 THR A 38 -5.351 -9.229 -8.299 1.00 0.00 H new ATOM 316 N LEU A 39 -1.950 -9.092 -7.216 1.00 0.00 N ATOM 317 CA LEU A 39 -1.212 -8.962 -5.954 1.00 0.00 C ATOM 318 C LEU A 39 -2.021 -8.056 -5.023 1.00 0.00 C ATOM 319 O LEU A 39 -2.409 -6.967 -5.432 1.00 0.00 O ATOM 320 CB LEU A 39 0.195 -8.352 -6.259 1.00 0.00 C ATOM 321 CG LEU A 39 1.332 -8.454 -5.171 1.00 0.00 C ATOM 322 CD1 LEU A 39 1.309 -7.303 -4.143 1.00 0.00 C ATOM 323 CD2 LEU A 39 1.339 -9.837 -4.483 1.00 0.00 C ATOM 0 H LEU A 39 -2.379 -8.218 -7.519 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.070 -9.929 -5.471 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.567 -8.825 -7.168 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.052 -7.295 -6.486 1.00 0.00 H new ATOM 0 HG LEU A 39 2.272 -8.345 -5.713 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.119 -7.439 -3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.437 -6.352 -4.659 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.354 -7.304 -3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.136 -9.870 -3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.379 -10.005 -3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.507 -10.614 -5.229 1.00 0.00 H new ATOM 335 N GLU A 40 -2.233 -8.471 -3.768 1.00 0.00 N ATOM 336 CA GLU A 40 -2.993 -7.660 -2.793 1.00 0.00 C ATOM 337 C GLU A 40 -2.078 -7.324 -1.614 1.00 0.00 C ATOM 338 O GLU A 40 -1.444 -8.201 -1.010 1.00 0.00 O ATOM 339 CB GLU A 40 -4.311 -8.329 -2.330 1.00 0.00 C ATOM 340 CG GLU A 40 -4.162 -9.671 -1.606 1.00 0.00 C ATOM 341 CD GLU A 40 -5.511 -10.225 -1.102 1.00 0.00 C ATOM 342 OE1 GLU A 40 -6.362 -10.596 -1.946 1.00 0.00 O ATOM 343 OE2 GLU A 40 -5.731 -10.281 0.130 1.00 0.00 O ATOM 0 H GLU A 40 -1.893 -9.359 -3.399 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.308 -6.742 -3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.834 -7.638 -1.669 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.946 -8.478 -3.203 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.705 -10.395 -2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.484 -9.551 -0.761 1.00 0.00 H new ATOM 350 N VAL A 41 -1.982 -6.029 -1.353 1.00 0.00 N ATOM 351 CA VAL A 41 -1.043 -5.432 -0.399 1.00 0.00 C ATOM 352 C VAL A 41 -1.785 -4.502 0.581 1.00 0.00 C ATOM 353 O VAL A 41 -2.852 -3.960 0.262 1.00 0.00 O ATOM 354 CB VAL A 41 0.089 -4.668 -1.209 1.00 0.00 C ATOM 355 CG1 VAL A 41 -0.519 -3.810 -2.337 1.00 0.00 C ATOM 356 CG2 VAL A 41 1.025 -3.830 -0.297 1.00 0.00 C ATOM 0 H VAL A 41 -2.573 -5.336 -1.812 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.573 -6.209 0.204 1.00 0.00 H new ATOM 0 HB VAL A 41 0.717 -5.434 -1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.279 -3.298 -2.875 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.068 -4.451 -3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.198 -3.073 -1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.778 -3.332 -0.908 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.439 -3.083 0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.517 -4.487 0.421 1.00 0.00 H new ATOM 366 N SER A 42 -1.199 -4.335 1.781 1.00 0.00 N ATOM 367 CA SER A 42 -1.736 -3.467 2.823 1.00 0.00 C ATOM 368 C SER A 42 -1.120 -2.068 2.666 1.00 0.00 C ATOM 369 O SER A 42 0.083 -1.883 2.905 1.00 0.00 O ATOM 370 CB SER A 42 -1.384 -4.058 4.207 1.00 0.00 C ATOM 371 OG SER A 42 -1.714 -5.430 4.276 1.00 0.00 O ATOM 0 H SER A 42 -0.334 -4.806 2.048 1.00 0.00 H new ATOM 0 HA SER A 42 -2.820 -3.394 2.737 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.319 -3.927 4.401 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.919 -3.513 4.985 1.00 0.00 H new ATOM 0 HG SER A 42 -1.479 -5.779 5.161 1.00 0.00 H new ATOM 377 N LEU A 43 -1.936 -1.105 2.220 1.00 0.00 N ATOM 378 CA LEU A 43 -1.523 0.306 2.109 1.00 0.00 C ATOM 379 C LEU A 43 -2.193 1.126 3.204 1.00 0.00 C ATOM 380 O LEU A 43 -3.423 1.184 3.275 1.00 0.00 O ATOM 381 CB LEU A 43 -1.860 0.892 0.712 1.00 0.00 C ATOM 382 CG LEU A 43 -1.632 2.437 0.527 1.00 0.00 C ATOM 383 CD1 LEU A 43 -0.218 2.868 0.939 1.00 0.00 C ATOM 384 CD2 LEU A 43 -1.916 2.877 -0.916 1.00 0.00 C ATOM 0 H LEU A 43 -2.898 -1.277 1.926 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.441 0.353 2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.261 0.367 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.905 0.672 0.493 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.340 2.934 1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.108 3.943 0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.055 2.625 1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.515 2.342 0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.749 3.950 -1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.250 2.346 -1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.951 2.648 -1.169 1.00 0.00 H new ATOM 396 N SER A 44 -1.368 1.830 3.994 1.00 0.00 N ATOM 397 CA SER A 44 -1.833 2.629 5.121 1.00 0.00 C ATOM 398 C SER A 44 -2.535 3.873 4.567 1.00 0.00 C ATOM 399 O SER A 44 -2.022 4.489 3.630 1.00 0.00 O ATOM 400 CB SER A 44 -0.641 2.991 6.022 1.00 0.00 C ATOM 401 OG SER A 44 0.022 1.821 6.469 1.00 0.00 O ATOM 0 H SER A 44 -0.357 1.856 3.862 1.00 0.00 H new ATOM 0 HA SER A 44 -2.543 2.072 5.733 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.057 3.624 5.474 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.988 3.568 6.879 1.00 0.00 H new ATOM 0 HG SER A 44 0.778 2.071 7.039 1.00 0.00 H new ATOM 407 N ARG A 45 -3.714 4.234 5.115 1.00 0.00 N ATOM 408 CA ARG A 45 -4.551 5.302 4.525 1.00 0.00 C ATOM 409 C ARG A 45 -3.966 6.706 4.770 1.00 0.00 C ATOM 410 O ARG A 45 -4.390 7.677 4.138 1.00 0.00 O ATOM 411 CB ARG A 45 -6.035 5.163 4.967 1.00 0.00 C ATOM 412 CG ARG A 45 -6.322 5.369 6.470 1.00 0.00 C ATOM 413 CD ARG A 45 -7.696 4.809 6.891 1.00 0.00 C ATOM 414 NE ARG A 45 -8.786 5.261 5.996 1.00 0.00 N ATOM 415 CZ ARG A 45 -9.858 4.528 5.643 1.00 0.00 C ATOM 416 NH1 ARG A 45 -10.061 3.328 6.167 1.00 0.00 N ATOM 417 NH2 ARG A 45 -10.722 5.011 4.775 1.00 0.00 N ATOM 0 H ARG A 45 -4.105 3.808 5.955 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.539 5.173 3.443 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.629 5.882 4.403 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.385 4.170 4.685 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.541 4.884 7.056 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.280 6.433 6.702 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.657 3.720 6.891 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.915 5.120 7.912 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.719 6.205 5.616 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.401 2.950 6.846 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.877 2.782 5.891 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.577 5.937 4.373 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.536 4.459 4.504 1.00 0.00 H new ATOM 431 N ASP A 46 -2.953 6.785 5.655 1.00 0.00 N ATOM 432 CA ASP A 46 -2.158 8.009 5.890 1.00 0.00 C ATOM 433 C ASP A 46 -0.895 8.016 4.981 1.00 0.00 C ATOM 434 O ASP A 46 -0.294 9.070 4.755 1.00 0.00 O ATOM 435 CB ASP A 46 -1.763 8.087 7.395 1.00 0.00 C ATOM 436 CG ASP A 46 -1.076 9.408 7.811 1.00 0.00 C ATOM 437 OD1 ASP A 46 -1.787 10.371 8.177 1.00 0.00 O ATOM 438 OD2 ASP A 46 0.177 9.487 7.798 1.00 0.00 O ATOM 0 H ASP A 46 -2.660 5.996 6.232 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.755 8.885 5.637 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.660 7.953 8.000 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.095 7.257 7.626 1.00 0.00 H new ATOM 443 N SER A 47 -0.526 6.831 4.441 1.00 0.00 N ATOM 444 CA SER A 47 0.664 6.647 3.593 1.00 0.00 C ATOM 445 C SER A 47 0.268 6.768 2.109 1.00 0.00 C ATOM 446 O SER A 47 -0.833 6.354 1.729 1.00 0.00 O ATOM 447 CB SER A 47 1.314 5.265 3.851 1.00 0.00 C ATOM 448 OG SER A 47 1.729 5.141 5.193 1.00 0.00 O ATOM 0 H SER A 47 -1.054 5.971 4.586 1.00 0.00 H new ATOM 0 HA SER A 47 1.390 7.421 3.841 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.602 4.475 3.613 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.170 5.133 3.189 1.00 0.00 H new ATOM 0 HG SER A 47 2.134 4.259 5.330 1.00 0.00 H new ATOM 454 N PRO A 48 1.150 7.361 1.247 1.00 0.00 N ATOM 455 CA PRO A 48 0.868 7.531 -0.185 1.00 0.00 C ATOM 456 C PRO A 48 0.942 6.225 -0.963 1.00 0.00 C ATOM 457 O PRO A 48 1.588 5.265 -0.540 1.00 0.00 O ATOM 458 CB PRO A 48 1.937 8.536 -0.695 1.00 0.00 C ATOM 459 CG PRO A 48 2.836 8.828 0.473 1.00 0.00 C ATOM 460 CD PRO A 48 2.470 7.899 1.613 1.00 0.00 C ATOM 0 HA PRO A 48 -0.151 7.889 -0.333 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.503 8.113 -1.525 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.468 9.449 -1.062 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.879 8.687 0.191 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.727 9.867 0.783 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.205 7.102 1.726 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.431 8.433 2.562 1.00 0.00 H new ATOM 468 N LEU A 49 0.314 6.249 -2.138 1.00 0.00 N ATOM 469 CA LEU A 49 0.294 5.143 -3.099 1.00 0.00 C ATOM 470 C LEU A 49 1.700 4.705 -3.513 1.00 0.00 C ATOM 471 O LEU A 49 1.863 3.566 -3.911 1.00 0.00 O ATOM 472 CB LEU A 49 -0.565 5.549 -4.344 1.00 0.00 C ATOM 473 CG LEU A 49 -2.107 5.344 -4.220 1.00 0.00 C ATOM 474 CD1 LEU A 49 -2.465 3.854 -4.362 1.00 0.00 C ATOM 475 CD2 LEU A 49 -2.661 5.921 -2.913 1.00 0.00 C ATOM 0 H LEU A 49 -0.211 7.062 -2.459 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.162 4.280 -2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.377 6.600 -4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.212 4.978 -5.203 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.578 5.894 -5.034 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.544 3.729 -4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.137 3.492 -5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.968 3.284 -3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.738 5.756 -2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.184 5.428 -2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.456 6.991 -2.872 1.00 0.00 H new ATOM 487 N LYS A 50 2.706 5.604 -3.398 1.00 0.00 N ATOM 488 CA LYS A 50 4.102 5.308 -3.775 1.00 0.00 C ATOM 489 C LYS A 50 4.686 4.097 -3.016 1.00 0.00 C ATOM 490 O LYS A 50 5.458 3.324 -3.596 1.00 0.00 O ATOM 491 CB LYS A 50 4.997 6.577 -3.607 1.00 0.00 C ATOM 492 CG LYS A 50 5.246 7.099 -2.156 1.00 0.00 C ATOM 493 CD LYS A 50 6.472 6.453 -1.458 1.00 0.00 C ATOM 494 CE LYS A 50 6.771 7.065 -0.080 1.00 0.00 C ATOM 495 NZ LYS A 50 7.226 8.480 -0.183 1.00 0.00 N ATOM 0 H LYS A 50 2.570 6.550 -3.042 1.00 0.00 H new ATOM 0 HA LYS A 50 4.095 5.026 -4.828 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.966 6.367 -4.059 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.545 7.385 -4.182 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.386 8.180 -2.188 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.357 6.910 -1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.296 5.383 -1.344 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.348 6.566 -2.097 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.876 7.017 0.540 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.538 6.473 0.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.529 8.816 0.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.024 8.541 -0.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.443 9.072 -0.527 1.00 0.00 H new ATOM 509 N THR A 51 4.332 3.947 -1.715 1.00 0.00 N ATOM 510 CA THR A 51 4.843 2.832 -0.893 1.00 0.00 C ATOM 511 C THR A 51 4.212 1.484 -1.334 1.00 0.00 C ATOM 512 O THR A 51 4.813 0.415 -1.170 1.00 0.00 O ATOM 513 CB THR A 51 4.654 3.075 0.645 1.00 0.00 C ATOM 514 OG1 THR A 51 5.364 2.080 1.393 1.00 0.00 O ATOM 515 CG2 THR A 51 3.193 3.063 1.086 1.00 0.00 C ATOM 0 H THR A 51 3.702 4.579 -1.221 1.00 0.00 H new ATOM 0 HA THR A 51 5.918 2.781 -1.065 1.00 0.00 H new ATOM 0 HB THR A 51 5.051 4.071 0.842 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.241 2.242 2.352 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.136 3.237 2.160 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.648 3.848 0.562 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.750 2.095 0.851 1.00 0.00 H new ATOM 523 N LEU A 52 2.984 1.563 -1.888 1.00 0.00 N ATOM 524 CA LEU A 52 2.292 0.426 -2.521 1.00 0.00 C ATOM 525 C LEU A 52 2.926 0.110 -3.893 1.00 0.00 C ATOM 526 O LEU A 52 3.086 -1.061 -4.250 1.00 0.00 O ATOM 527 CB LEU A 52 0.771 0.759 -2.638 1.00 0.00 C ATOM 528 CG LEU A 52 -0.139 -0.256 -3.431 1.00 0.00 C ATOM 529 CD1 LEU A 52 -1.510 -0.431 -2.747 1.00 0.00 C ATOM 530 CD2 LEU A 52 -0.330 0.160 -4.918 1.00 0.00 C ATOM 0 H LEU A 52 2.442 2.427 -1.907 1.00 0.00 H new ATOM 0 HA LEU A 52 2.400 -0.469 -1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.369 0.853 -1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.676 1.736 -3.112 1.00 0.00 H new ATOM 0 HG LEU A 52 0.383 -1.213 -3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.114 -1.137 -3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.366 -0.811 -1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.020 0.531 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.964 -0.570 -5.422 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.801 1.142 -4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.641 0.200 -5.412 1.00 0.00 H new ATOM 542 N MET A 53 3.255 1.181 -4.651 1.00 0.00 N ATOM 543 CA MET A 53 3.944 1.091 -5.962 1.00 0.00 C ATOM 544 C MET A 53 5.256 0.311 -5.834 1.00 0.00 C ATOM 545 O MET A 53 5.538 -0.589 -6.632 1.00 0.00 O ATOM 546 CB MET A 53 4.231 2.500 -6.567 1.00 0.00 C ATOM 547 CG MET A 53 2.990 3.349 -6.840 1.00 0.00 C ATOM 548 SD MET A 53 3.401 4.979 -7.506 1.00 0.00 S ATOM 549 CE MET A 53 1.784 5.744 -7.580 1.00 0.00 C ATOM 0 H MET A 53 3.049 2.139 -4.369 1.00 0.00 H new ATOM 0 HA MET A 53 3.272 0.561 -6.637 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.884 3.046 -5.886 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.779 2.373 -7.501 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.343 2.825 -7.543 1.00 0.00 H new ATOM 0 HG3 MET A 53 2.425 3.469 -5.916 1.00 0.00 H new ATOM 0 HE1 MET A 53 1.866 6.722 -8.054 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.110 5.114 -8.160 1.00 0.00 H new ATOM 0 HE3 MET A 53 1.391 5.862 -6.570 1.00 0.00 H new ATOM 559 N SER A 54 5.995 0.642 -4.766 1.00 0.00 N ATOM 560 CA SER A 54 7.304 0.062 -4.483 1.00 0.00 C ATOM 561 C SER A 54 7.156 -1.397 -4.017 1.00 0.00 C ATOM 562 O SER A 54 7.957 -2.255 -4.388 1.00 0.00 O ATOM 563 CB SER A 54 8.054 0.918 -3.436 1.00 0.00 C ATOM 564 OG SER A 54 7.340 1.010 -2.214 1.00 0.00 O ATOM 0 H SER A 54 5.694 1.326 -4.072 1.00 0.00 H new ATOM 0 HA SER A 54 7.896 0.059 -5.398 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.036 0.484 -3.250 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.218 1.919 -3.836 1.00 0.00 H new ATOM 0 HG SER A 54 6.439 0.644 -2.333 1.00 0.00 H new ATOM 570 N HIS A 55 6.079 -1.674 -3.255 1.00 0.00 N ATOM 571 CA HIS A 55 5.840 -2.993 -2.642 1.00 0.00 C ATOM 572 C HIS A 55 5.483 -4.038 -3.725 1.00 0.00 C ATOM 573 O HIS A 55 6.025 -5.150 -3.726 1.00 0.00 O ATOM 574 CB HIS A 55 4.710 -2.886 -1.581 1.00 0.00 C ATOM 575 CG HIS A 55 4.651 -4.037 -0.603 1.00 0.00 C ATOM 576 ND1 HIS A 55 5.028 -3.910 0.715 1.00 0.00 N ATOM 577 CD2 HIS A 55 4.227 -5.319 -0.744 1.00 0.00 C ATOM 578 CE1 HIS A 55 4.842 -5.050 1.340 1.00 0.00 C ATOM 579 NE2 HIS A 55 4.352 -5.924 0.480 1.00 0.00 N ATOM 0 H HIS A 55 5.352 -0.989 -3.048 1.00 0.00 H new ATOM 0 HA HIS A 55 6.752 -3.323 -2.145 1.00 0.00 H new ATOM 0 HB2 HIS A 55 4.841 -1.959 -1.023 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.752 -2.815 -2.096 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.860 -5.777 -1.651 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.054 -5.240 2.382 1.00 0.00 H new ATOM 0 HE2 HIS A 55 4.107 -6.891 0.692 1.00 0.00 H new ATOM 588 N TYR A 56 4.542 -3.663 -4.615 1.00 0.00 N ATOM 589 CA TYR A 56 4.113 -4.481 -5.771 1.00 0.00 C ATOM 590 C TYR A 56 5.310 -4.874 -6.666 1.00 0.00 C ATOM 591 O TYR A 56 5.551 -6.068 -6.902 1.00 0.00 O ATOM 592 CB TYR A 56 3.054 -3.688 -6.599 1.00 0.00 C ATOM 593 CG TYR A 56 2.514 -4.409 -7.860 1.00 0.00 C ATOM 594 CD1 TYR A 56 3.177 -4.323 -9.098 1.00 0.00 C ATOM 595 CD2 TYR A 56 1.341 -5.165 -7.817 1.00 0.00 C ATOM 596 CE1 TYR A 56 2.691 -4.961 -10.223 1.00 0.00 C ATOM 597 CE2 TYR A 56 0.847 -5.799 -8.947 1.00 0.00 C ATOM 598 CZ TYR A 56 1.525 -5.698 -10.142 1.00 0.00 C ATOM 599 OH TYR A 56 1.023 -6.315 -11.266 1.00 0.00 O ATOM 0 H TYR A 56 4.051 -2.771 -4.551 1.00 0.00 H new ATOM 0 HA TYR A 56 3.671 -5.404 -5.395 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.212 -3.453 -5.948 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.495 -2.739 -6.905 1.00 0.00 H new ATOM 0 HD1 TYR A 56 4.087 -3.745 -9.171 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.807 -5.258 -6.883 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.220 -4.884 -11.161 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.067 -6.371 -8.890 1.00 0.00 H new ATOM 0 HH TYR A 56 0.199 -6.793 -11.036 1.00 0.00 H new ATOM 609 N GLU A 57 6.020 -3.842 -7.185 1.00 0.00 N ATOM 610 CA GLU A 57 7.166 -4.040 -8.102 1.00 0.00 C ATOM 611 C GLU A 57 8.286 -4.897 -7.469 1.00 0.00 C ATOM 612 O GLU A 57 9.023 -5.574 -8.181 1.00 0.00 O ATOM 613 CB GLU A 57 7.719 -2.711 -8.689 1.00 0.00 C ATOM 614 CG GLU A 57 8.329 -1.742 -7.672 1.00 0.00 C ATOM 615 CD GLU A 57 8.853 -0.443 -8.316 1.00 0.00 C ATOM 616 OE1 GLU A 57 9.963 -0.464 -8.900 1.00 0.00 O ATOM 617 OE2 GLU A 57 8.168 0.607 -8.244 1.00 0.00 O ATOM 0 H GLU A 57 5.817 -2.863 -6.983 1.00 0.00 H new ATOM 0 HA GLU A 57 6.769 -4.603 -8.946 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.477 -2.951 -9.435 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.909 -2.200 -9.210 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.579 -1.492 -6.922 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.148 -2.239 -7.151 1.00 0.00 H new ATOM 624 N GLU A 58 8.423 -4.858 -6.136 1.00 0.00 N ATOM 625 CA GLU A 58 9.328 -5.773 -5.417 1.00 0.00 C ATOM 626 C GLU A 58 8.785 -7.224 -5.342 1.00 0.00 C ATOM 627 O GLU A 58 9.573 -8.169 -5.512 1.00 0.00 O ATOM 628 CB GLU A 58 9.661 -5.215 -4.008 1.00 0.00 C ATOM 629 CG GLU A 58 10.561 -3.970 -4.050 1.00 0.00 C ATOM 630 CD GLU A 58 10.834 -3.369 -2.663 1.00 0.00 C ATOM 631 OE1 GLU A 58 11.794 -3.808 -1.987 1.00 0.00 O ATOM 632 OE2 GLU A 58 10.098 -2.454 -2.244 1.00 0.00 O ATOM 0 H GLU A 58 7.921 -4.206 -5.533 1.00 0.00 H new ATOM 0 HA GLU A 58 10.251 -5.828 -5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.733 -4.968 -3.493 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.153 -5.992 -3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.510 -4.232 -4.518 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.093 -3.214 -4.680 1.00 0.00 H new ATOM 639 N ALA A 59 7.457 -7.417 -5.103 1.00 0.00 N ATOM 640 CA ALA A 59 6.853 -8.757 -4.860 1.00 0.00 C ATOM 641 C ALA A 59 7.073 -9.767 -6.012 1.00 0.00 C ATOM 642 O ALA A 59 7.551 -10.883 -5.774 1.00 0.00 O ATOM 643 CB ALA A 59 5.347 -8.598 -4.566 1.00 0.00 C ATOM 0 H ALA A 59 6.781 -6.654 -5.074 1.00 0.00 H new ATOM 0 HA ALA A 59 7.369 -9.178 -3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.905 -9.579 -4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.213 -7.974 -3.682 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.857 -8.129 -5.419 1.00 0.00 H new ATOM 649 N MET A 60 6.732 -9.384 -7.261 1.00 0.00 N ATOM 650 CA MET A 60 6.890 -10.288 -8.447 1.00 0.00 C ATOM 651 C MET A 60 8.153 -9.909 -9.250 1.00 0.00 C ATOM 652 O MET A 60 8.172 -10.037 -10.480 1.00 0.00 O ATOM 653 CB MET A 60 5.627 -10.264 -9.362 1.00 0.00 C ATOM 654 CG MET A 60 4.350 -10.833 -8.735 1.00 0.00 C ATOM 655 SD MET A 60 3.719 -9.824 -7.379 1.00 0.00 S ATOM 656 CE MET A 60 3.447 -8.256 -8.207 1.00 0.00 C ATOM 0 H MET A 60 6.348 -8.466 -7.485 1.00 0.00 H new ATOM 0 HA MET A 60 7.004 -11.306 -8.075 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.436 -9.234 -9.662 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.847 -10.825 -10.270 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.582 -10.920 -9.504 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.549 -11.840 -8.369 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.805 -7.626 -7.591 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.403 -7.757 -8.364 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.967 -8.431 -9.170 1.00 0.00 H new ATOM 666 N GLY A 61 9.210 -9.510 -8.512 1.00 0.00 N ATOM 667 CA GLY A 61 10.501 -9.076 -9.081 1.00 0.00 C ATOM 668 C GLY A 61 10.429 -8.237 -10.371 1.00 0.00 C ATOM 669 O GLY A 61 11.078 -8.571 -11.365 1.00 0.00 O ATOM 0 H GLY A 61 9.190 -9.480 -7.493 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.031 -8.497 -8.325 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.102 -9.963 -9.282 1.00 0.00 H new ATOM 673 N LEU A 62 9.638 -7.147 -10.350 1.00 0.00 N ATOM 674 CA LEU A 62 9.546 -6.181 -11.477 1.00 0.00 C ATOM 675 C LEU A 62 10.770 -5.224 -11.511 1.00 0.00 C ATOM 676 O LEU A 62 10.779 -4.263 -12.288 1.00 0.00 O ATOM 677 CB LEU A 62 8.224 -5.348 -11.413 1.00 0.00 C ATOM 678 CG LEU A 62 6.859 -6.098 -11.634 1.00 0.00 C ATOM 679 CD1 LEU A 62 6.887 -6.976 -12.897 1.00 0.00 C ATOM 680 CD2 LEU A 62 6.418 -6.892 -10.392 1.00 0.00 C ATOM 0 H LEU A 62 9.044 -6.906 -9.557 1.00 0.00 H new ATOM 0 HA LEU A 62 9.541 -6.770 -12.394 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.183 -4.864 -10.437 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.293 -4.557 -12.159 1.00 0.00 H new ATOM 0 HG LEU A 62 6.103 -5.329 -11.794 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.926 -7.477 -13.014 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.079 -6.352 -13.770 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.676 -7.722 -12.804 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.471 -7.391 -10.597 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.175 -7.637 -10.149 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.295 -6.211 -9.550 1.00 0.00 H new ATOM 692 N SER A 63 11.794 -5.512 -10.681 1.00 0.00 N ATOM 693 CA SER A 63 13.080 -4.805 -10.677 1.00 0.00 C ATOM 694 C SER A 63 13.782 -4.974 -12.043 1.00 0.00 C ATOM 695 O SER A 63 14.433 -5.994 -12.310 1.00 0.00 O ATOM 696 CB SER A 63 13.952 -5.332 -9.507 1.00 0.00 C ATOM 697 OG SER A 63 13.974 -6.752 -9.467 1.00 0.00 O ATOM 0 H SER A 63 11.744 -6.256 -9.985 1.00 0.00 H new ATOM 0 HA SER A 63 12.919 -3.738 -10.525 1.00 0.00 H new ATOM 0 HB2 SER A 63 14.969 -4.955 -9.613 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.566 -4.947 -8.563 1.00 0.00 H new ATOM 0 HG SER A 63 14.146 -7.102 -10.366 1.00 0.00 H new ATOM 703 N GLY A 64 13.583 -3.975 -12.910 1.00 0.00 N ATOM 704 CA GLY A 64 14.076 -3.996 -14.284 1.00 0.00 C ATOM 705 C GLY A 64 13.351 -2.948 -15.111 1.00 0.00 C ATOM 706 O GLY A 64 13.976 -2.156 -15.828 1.00 0.00 O ATOM 0 H GLY A 64 13.071 -3.125 -12.672 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.149 -3.804 -14.297 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.924 -4.984 -14.719 1.00 0.00 H new ATOM 710 N ARG A 65 12.011 -2.943 -14.988 1.00 0.00 N ATOM 711 CA ARG A 65 11.128 -1.926 -15.597 1.00 0.00 C ATOM 712 C ARG A 65 10.158 -1.436 -14.512 1.00 0.00 C ATOM 713 O ARG A 65 9.515 -2.263 -13.855 1.00 0.00 O ATOM 714 CB ARG A 65 10.290 -2.512 -16.776 1.00 0.00 C ATOM 715 CG ARG A 65 11.071 -3.349 -17.817 1.00 0.00 C ATOM 716 CD ARG A 65 10.152 -3.903 -18.932 1.00 0.00 C ATOM 717 NE ARG A 65 9.013 -4.687 -18.383 1.00 0.00 N ATOM 718 CZ ARG A 65 7.702 -4.380 -18.530 1.00 0.00 C ATOM 719 NH1 ARG A 65 7.326 -3.301 -19.208 1.00 0.00 N ATOM 720 NH2 ARG A 65 6.770 -5.152 -17.987 1.00 0.00 N ATOM 0 H ARG A 65 11.504 -3.651 -14.458 1.00 0.00 H new ATOM 0 HA ARG A 65 11.747 -1.120 -15.990 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.499 -3.135 -16.358 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.804 -1.686 -17.295 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.851 -2.733 -18.264 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.569 -4.178 -17.314 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.767 -3.076 -19.528 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.736 -4.534 -19.602 1.00 0.00 H new ATOM 0 HE ARG A 65 9.239 -5.527 -17.851 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.028 -2.691 -19.626 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.335 -3.083 -19.310 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.039 -5.980 -17.456 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.784 -4.917 -18.100 1.00 0.00 H new ATOM 734 N LYS A 66 10.050 -0.113 -14.306 1.00 0.00 N ATOM 735 CA LYS A 66 9.035 0.452 -13.397 1.00 0.00 C ATOM 736 C LYS A 66 7.733 0.671 -14.175 1.00 0.00 C ATOM 737 O LYS A 66 7.756 1.131 -15.320 1.00 0.00 O ATOM 738 CB LYS A 66 9.505 1.773 -12.751 1.00 0.00 C ATOM 739 CG LYS A 66 8.533 2.322 -11.675 1.00 0.00 C ATOM 740 CD LYS A 66 9.022 3.634 -11.013 1.00 0.00 C ATOM 741 CE LYS A 66 10.336 3.458 -10.231 1.00 0.00 C ATOM 742 NZ LYS A 66 10.207 2.466 -9.136 1.00 0.00 N ATOM 0 H LYS A 66 10.648 0.582 -14.752 1.00 0.00 H new ATOM 0 HA LYS A 66 8.870 -0.256 -12.585 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.484 1.617 -12.298 1.00 0.00 H new ATOM 0 HB3 LYS A 66 9.631 2.524 -13.531 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.559 2.496 -12.132 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.393 1.565 -10.903 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.162 4.393 -11.783 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.250 4.004 -10.338 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.124 3.142 -10.914 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.641 4.418 -9.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.573 2.875 -8.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.206 2.214 -9.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.752 1.613 -9.374 1.00 0.00 H new ATOM 756 N LEU A 67 6.612 0.347 -13.534 1.00 0.00 N ATOM 757 CA LEU A 67 5.278 0.345 -14.151 1.00 0.00 C ATOM 758 C LEU A 67 4.362 1.366 -13.451 1.00 0.00 C ATOM 759 O LEU A 67 4.574 1.710 -12.282 1.00 0.00 O ATOM 760 CB LEU A 67 4.662 -1.109 -14.178 1.00 0.00 C ATOM 761 CG LEU A 67 4.975 -2.119 -13.003 1.00 0.00 C ATOM 762 CD1 LEU A 67 6.427 -2.627 -13.022 1.00 0.00 C ATOM 763 CD2 LEU A 67 4.606 -1.549 -11.625 1.00 0.00 C ATOM 0 H LEU A 67 6.600 0.072 -12.552 1.00 0.00 H new ATOM 0 HA LEU A 67 5.372 0.656 -15.191 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.579 -1.002 -14.234 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.984 -1.581 -15.106 1.00 0.00 H new ATOM 0 HG LEU A 67 4.333 -2.982 -13.182 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.582 -3.317 -12.192 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.620 -3.142 -13.963 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.109 -1.783 -12.924 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.841 -2.282 -10.853 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.175 -0.637 -11.444 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.540 -1.323 -11.598 1.00 0.00 H new ATOM 775 N SER A 68 3.359 1.853 -14.194 1.00 0.00 N ATOM 776 CA SER A 68 2.422 2.886 -13.719 1.00 0.00 C ATOM 777 C SER A 68 1.276 2.250 -12.919 1.00 0.00 C ATOM 778 O SER A 68 1.042 1.049 -13.025 1.00 0.00 O ATOM 779 CB SER A 68 1.866 3.668 -14.923 1.00 0.00 C ATOM 780 OG SER A 68 2.914 4.150 -15.738 1.00 0.00 O ATOM 0 H SER A 68 3.172 1.541 -15.147 1.00 0.00 H new ATOM 0 HA SER A 68 2.954 3.572 -13.060 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.211 3.024 -15.509 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.260 4.503 -14.571 1.00 0.00 H new ATOM 0 HG SER A 68 2.538 4.642 -16.497 1.00 0.00 H new ATOM 786 N PHE A 69 0.580 3.068 -12.109 1.00 0.00 N ATOM 787 CA PHE A 69 -0.556 2.631 -11.271 1.00 0.00 C ATOM 788 C PHE A 69 -1.755 3.549 -11.531 1.00 0.00 C ATOM 789 O PHE A 69 -1.616 4.778 -11.498 1.00 0.00 O ATOM 790 CB PHE A 69 -0.169 2.630 -9.760 1.00 0.00 C ATOM 791 CG PHE A 69 0.769 1.486 -9.356 1.00 0.00 C ATOM 792 CD1 PHE A 69 2.101 1.479 -9.757 1.00 0.00 C ATOM 793 CD2 PHE A 69 0.311 0.405 -8.605 1.00 0.00 C ATOM 794 CE1 PHE A 69 2.941 0.444 -9.417 1.00 0.00 C ATOM 795 CE2 PHE A 69 1.157 -0.634 -8.269 1.00 0.00 C ATOM 796 CZ PHE A 69 2.469 -0.615 -8.680 1.00 0.00 C ATOM 0 H PHE A 69 0.791 4.062 -12.015 1.00 0.00 H new ATOM 0 HA PHE A 69 -0.824 1.608 -11.536 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.308 3.580 -9.517 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.079 2.568 -9.163 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.482 2.300 -10.345 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.719 0.379 -8.281 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.974 0.464 -9.730 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.787 -1.462 -7.683 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.128 -1.432 -8.424 1.00 0.00 H new ATOM 806 N PHE A 70 -2.912 2.939 -11.848 1.00 0.00 N ATOM 807 CA PHE A 70 -4.166 3.659 -12.136 1.00 0.00 C ATOM 808 C PHE A 70 -5.295 3.192 -11.191 1.00 0.00 C ATOM 809 O PHE A 70 -5.432 2.011 -10.897 1.00 0.00 O ATOM 810 CB PHE A 70 -4.580 3.480 -13.630 1.00 0.00 C ATOM 811 CG PHE A 70 -3.712 4.264 -14.632 1.00 0.00 C ATOM 812 CD1 PHE A 70 -2.407 3.870 -14.923 1.00 0.00 C ATOM 813 CD2 PHE A 70 -4.212 5.389 -15.293 1.00 0.00 C ATOM 814 CE1 PHE A 70 -1.632 4.571 -15.831 1.00 0.00 C ATOM 815 CE2 PHE A 70 -3.437 6.090 -16.199 1.00 0.00 C ATOM 816 CZ PHE A 70 -2.149 5.679 -16.470 1.00 0.00 C ATOM 0 H PHE A 70 -3.003 1.925 -11.912 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.995 4.721 -11.960 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.536 2.420 -13.882 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.618 3.792 -13.746 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.993 3.002 -14.431 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.221 5.717 -15.093 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.622 4.250 -16.039 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.841 6.960 -16.695 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.546 6.224 -17.181 1.00 0.00 H new ATOM 826 N PHE A 71 -6.060 4.162 -10.693 1.00 0.00 N ATOM 827 CA PHE A 71 -7.270 3.943 -9.873 1.00 0.00 C ATOM 828 C PHE A 71 -8.476 4.500 -10.636 1.00 0.00 C ATOM 829 O PHE A 71 -8.597 5.717 -10.772 1.00 0.00 O ATOM 830 CB PHE A 71 -7.086 4.627 -8.489 1.00 0.00 C ATOM 831 CG PHE A 71 -8.370 4.858 -7.691 1.00 0.00 C ATOM 832 CD1 PHE A 71 -9.054 3.801 -7.106 1.00 0.00 C ATOM 833 CD2 PHE A 71 -8.884 6.145 -7.529 1.00 0.00 C ATOM 834 CE1 PHE A 71 -10.208 4.023 -6.382 1.00 0.00 C ATOM 835 CE2 PHE A 71 -10.039 6.358 -6.809 1.00 0.00 C ATOM 836 CZ PHE A 71 -10.699 5.298 -6.234 1.00 0.00 C ATOM 0 H PHE A 71 -5.858 5.150 -10.847 1.00 0.00 H new ATOM 0 HA PHE A 71 -7.437 2.881 -9.692 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.411 4.017 -7.889 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.596 5.589 -8.641 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.679 2.794 -7.219 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.370 6.984 -7.974 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.727 3.191 -5.930 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -10.427 7.360 -6.696 1.00 0.00 H new ATOM 0 HZ PHE A 71 -11.602 5.467 -5.667 1.00 0.00 H new ATOM 846 N ASP A 72 -9.364 3.606 -11.117 1.00 0.00 N ATOM 847 CA ASP A 72 -10.504 3.971 -11.998 1.00 0.00 C ATOM 848 C ASP A 72 -10.017 4.798 -13.231 1.00 0.00 C ATOM 849 O ASP A 72 -10.675 5.746 -13.683 1.00 0.00 O ATOM 850 CB ASP A 72 -11.602 4.708 -11.155 1.00 0.00 C ATOM 851 CG ASP A 72 -12.953 4.878 -11.882 1.00 0.00 C ATOM 852 OD1 ASP A 72 -13.619 3.859 -12.150 1.00 0.00 O ATOM 853 OD2 ASP A 72 -13.364 6.027 -12.167 1.00 0.00 O ATOM 0 H ASP A 72 -9.315 2.609 -10.908 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.958 3.068 -12.407 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -11.767 4.154 -10.231 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.228 5.692 -10.874 1.00 0.00 H new ATOM 858 N GLY A 73 -8.848 4.390 -13.762 1.00 0.00 N ATOM 859 CA GLY A 73 -8.202 5.072 -14.896 1.00 0.00 C ATOM 860 C GLY A 73 -7.597 6.442 -14.559 1.00 0.00 C ATOM 861 O GLY A 73 -7.398 7.272 -15.454 1.00 0.00 O ATOM 0 H GLY A 73 -8.329 3.582 -13.418 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.415 4.429 -15.289 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.936 5.200 -15.692 1.00 0.00 H new ATOM 865 N THR A 74 -7.294 6.670 -13.271 1.00 0.00 N ATOM 866 CA THR A 74 -6.650 7.910 -12.776 1.00 0.00 C ATOM 867 C THR A 74 -5.168 7.631 -12.501 1.00 0.00 C ATOM 868 O THR A 74 -4.851 6.752 -11.694 1.00 0.00 O ATOM 869 CB THR A 74 -7.355 8.416 -11.468 1.00 0.00 C ATOM 870 OG1 THR A 74 -8.722 8.739 -11.759 1.00 0.00 O ATOM 871 CG2 THR A 74 -6.672 9.635 -10.819 1.00 0.00 C ATOM 0 H THR A 74 -7.489 5.995 -12.532 1.00 0.00 H new ATOM 0 HA THR A 74 -6.743 8.688 -13.534 1.00 0.00 H new ATOM 0 HB THR A 74 -7.284 7.602 -10.747 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.165 9.054 -10.943 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.219 9.923 -9.921 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.647 9.379 -10.553 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.667 10.467 -11.523 1.00 0.00 H new ATOM 879 N LYS A 75 -4.273 8.364 -13.186 1.00 0.00 N ATOM 880 CA LYS A 75 -2.823 8.245 -12.985 1.00 0.00 C ATOM 881 C LYS A 75 -2.437 8.747 -11.581 1.00 0.00 C ATOM 882 O LYS A 75 -2.606 9.929 -11.256 1.00 0.00 O ATOM 883 CB LYS A 75 -2.046 9.019 -14.081 1.00 0.00 C ATOM 884 CG LYS A 75 -0.506 9.001 -13.934 1.00 0.00 C ATOM 885 CD LYS A 75 0.096 7.576 -13.908 1.00 0.00 C ATOM 886 CE LYS A 75 1.629 7.591 -13.789 1.00 0.00 C ATOM 887 NZ LYS A 75 2.105 8.282 -12.556 1.00 0.00 N ATOM 0 H LYS A 75 -4.536 9.052 -13.891 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.550 7.193 -13.064 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.307 8.601 -15.053 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.383 10.056 -14.079 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.064 9.558 -14.760 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.231 9.520 -13.016 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.326 7.021 -13.070 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.190 7.047 -14.817 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.999 6.566 -13.792 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.052 8.085 -14.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.100 8.035 -12.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.020 9.311 -12.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.527 7.982 -11.745 1.00 0.00 H new ATOM 901 N LEU A 76 -1.944 7.813 -10.766 1.00 0.00 N ATOM 902 CA LEU A 76 -1.489 8.070 -9.397 1.00 0.00 C ATOM 903 C LEU A 76 -0.023 8.564 -9.462 1.00 0.00 C ATOM 904 O LEU A 76 0.838 7.869 -10.014 1.00 0.00 O ATOM 905 CB LEU A 76 -1.627 6.755 -8.576 1.00 0.00 C ATOM 906 CG LEU A 76 -3.023 6.061 -8.684 1.00 0.00 C ATOM 907 CD1 LEU A 76 -3.073 4.736 -7.897 1.00 0.00 C ATOM 908 CD2 LEU A 76 -4.157 7.032 -8.274 1.00 0.00 C ATOM 0 H LEU A 76 -1.848 6.836 -11.044 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.088 8.837 -8.906 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.861 6.054 -8.908 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.426 6.975 -7.527 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.182 5.798 -9.730 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.062 4.289 -8.000 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.322 4.051 -8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.871 4.931 -6.844 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.118 6.525 -8.358 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.005 7.354 -7.244 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.147 7.901 -8.931 1.00 0.00 H new ATOM 920 N SER A 77 0.240 9.775 -8.950 1.00 0.00 N ATOM 921 CA SER A 77 1.564 10.432 -9.029 1.00 0.00 C ATOM 922 C SER A 77 2.573 9.854 -8.011 1.00 0.00 C ATOM 923 O SER A 77 3.766 9.742 -8.313 1.00 0.00 O ATOM 924 CB SER A 77 1.392 11.952 -8.807 1.00 0.00 C ATOM 925 OG SER A 77 0.463 12.501 -9.731 1.00 0.00 O ATOM 0 H SER A 77 -0.461 10.335 -8.465 1.00 0.00 H new ATOM 0 HA SER A 77 1.973 10.240 -10.021 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.050 12.138 -7.789 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.355 12.450 -8.916 1.00 0.00 H new ATOM 0 HG SER A 77 0.370 13.463 -9.569 1.00 0.00 H new ATOM 931 N GLY A 78 2.079 9.479 -6.823 1.00 0.00 N ATOM 932 CA GLY A 78 2.913 8.961 -5.730 1.00 0.00 C ATOM 933 C GLY A 78 2.902 9.848 -4.480 1.00 0.00 C ATOM 934 O GLY A 78 3.662 9.606 -3.540 1.00 0.00 O ATOM 0 H GLY A 78 1.087 9.527 -6.592 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.567 7.963 -5.461 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.939 8.858 -6.084 1.00 0.00 H new ATOM 938 N ARG A 79 2.046 10.881 -4.471 1.00 0.00 N ATOM 939 CA ARG A 79 1.913 11.847 -3.339 1.00 0.00 C ATOM 940 C ARG A 79 0.453 11.967 -2.897 1.00 0.00 C ATOM 941 O ARG A 79 0.105 12.860 -2.121 1.00 0.00 O ATOM 942 CB ARG A 79 2.482 13.236 -3.741 1.00 0.00 C ATOM 943 CG ARG A 79 3.996 13.253 -4.033 1.00 0.00 C ATOM 944 CD ARG A 79 4.516 14.654 -4.392 1.00 0.00 C ATOM 945 NE ARG A 79 4.257 15.632 -3.316 1.00 0.00 N ATOM 946 CZ ARG A 79 4.100 16.955 -3.482 1.00 0.00 C ATOM 947 NH1 ARG A 79 4.214 17.520 -4.683 1.00 0.00 N ATOM 948 NH2 ARG A 79 3.826 17.708 -2.431 1.00 0.00 N ATOM 0 H ARG A 79 1.417 11.082 -5.248 1.00 0.00 H new ATOM 0 HA ARG A 79 2.491 11.469 -2.496 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.951 13.589 -4.625 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.272 13.945 -2.940 1.00 0.00 H new ATOM 0 HG2 ARG A 79 4.534 12.883 -3.160 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.211 12.569 -4.854 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.587 14.604 -4.587 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.040 14.993 -5.312 1.00 0.00 H new ATOM 0 HE ARG A 79 4.192 15.271 -2.364 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.424 16.945 -5.499 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.091 18.527 -4.787 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.736 17.283 -1.508 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.704 18.715 -2.543 1.00 0.00 H new ATOM 962 N GLU A 80 -0.389 11.069 -3.402 1.00 0.00 N ATOM 963 CA GLU A 80 -1.791 10.970 -3.005 1.00 0.00 C ATOM 964 C GLU A 80 -1.942 9.752 -2.102 1.00 0.00 C ATOM 965 O GLU A 80 -1.235 8.759 -2.249 1.00 0.00 O ATOM 966 CB GLU A 80 -2.743 10.868 -4.239 1.00 0.00 C ATOM 967 CG GLU A 80 -2.569 9.628 -5.149 1.00 0.00 C ATOM 968 CD GLU A 80 -1.203 9.545 -5.838 1.00 0.00 C ATOM 969 OE1 GLU A 80 -0.764 10.560 -6.404 1.00 0.00 O ATOM 970 OE2 GLU A 80 -0.532 8.502 -5.765 1.00 0.00 O ATOM 0 H GLU A 80 -0.115 10.383 -4.105 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.077 11.876 -2.471 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.771 10.884 -3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.606 11.760 -4.850 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.718 8.728 -4.552 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.348 9.637 -5.911 1.00 0.00 H new ATOM 977 N LEU A 81 -2.865 9.871 -1.178 1.00 0.00 N ATOM 978 CA LEU A 81 -3.210 8.848 -0.193 1.00 0.00 C ATOM 979 C LEU A 81 -4.463 8.099 -0.682 1.00 0.00 C ATOM 980 O LEU A 81 -5.248 8.673 -1.443 1.00 0.00 O ATOM 981 CB LEU A 81 -3.452 9.566 1.173 1.00 0.00 C ATOM 982 CG LEU A 81 -2.361 10.625 1.570 1.00 0.00 C ATOM 983 CD1 LEU A 81 -2.678 11.333 2.892 1.00 0.00 C ATOM 984 CD2 LEU A 81 -0.957 10.006 1.614 1.00 0.00 C ATOM 0 H LEU A 81 -3.426 10.717 -1.079 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.413 8.116 -0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.422 10.062 1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.507 8.812 1.958 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.378 11.381 0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.891 12.053 3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.632 11.853 2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.736 10.597 3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.231 10.770 1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.937 9.202 2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.705 9.606 0.632 1.00 0.00 H new ATOM 996 N PRO A 82 -4.689 6.812 -0.271 1.00 0.00 N ATOM 997 CA PRO A 82 -5.903 6.065 -0.678 1.00 0.00 C ATOM 998 C PRO A 82 -7.178 6.707 -0.087 1.00 0.00 C ATOM 999 O PRO A 82 -8.238 6.666 -0.700 1.00 0.00 O ATOM 1000 CB PRO A 82 -5.646 4.631 -0.148 1.00 0.00 C ATOM 1001 CG PRO A 82 -4.687 4.816 0.979 1.00 0.00 C ATOM 1002 CD PRO A 82 -3.805 5.986 0.597 1.00 0.00 C ATOM 0 HA PRO A 82 -6.075 6.071 -1.754 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.570 4.161 0.190 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.228 3.990 -0.924 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.216 5.015 1.911 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.093 3.916 1.136 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.470 6.540 1.474 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.911 5.659 0.066 1.00 0.00 H new ATOM 1010 N ALA A 83 -7.028 7.350 1.088 1.00 0.00 N ATOM 1011 CA ALA A 83 -8.099 8.147 1.715 1.00 0.00 C ATOM 1012 C ALA A 83 -8.470 9.357 0.824 1.00 0.00 C ATOM 1013 O ALA A 83 -9.650 9.686 0.664 1.00 0.00 O ATOM 1014 CB ALA A 83 -7.668 8.604 3.118 1.00 0.00 C ATOM 0 H ALA A 83 -6.163 7.331 1.627 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.987 7.523 1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.467 9.191 3.571 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.463 7.731 3.738 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.768 9.214 3.041 1.00 0.00 H new ATOM 1020 N ASP A 84 -7.437 9.972 0.216 1.00 0.00 N ATOM 1021 CA ASP A 84 -7.586 11.131 -0.698 1.00 0.00 C ATOM 1022 C ASP A 84 -8.291 10.738 -2.019 1.00 0.00 C ATOM 1023 O ASP A 84 -9.093 11.508 -2.559 1.00 0.00 O ATOM 1024 CB ASP A 84 -6.193 11.750 -0.996 1.00 0.00 C ATOM 1025 CG ASP A 84 -6.230 12.873 -2.053 1.00 0.00 C ATOM 1026 OD1 ASP A 84 -6.818 13.941 -1.780 1.00 0.00 O ATOM 1027 OD2 ASP A 84 -5.700 12.678 -3.173 1.00 0.00 O ATOM 0 H ASP A 84 -6.468 9.680 0.343 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.215 11.869 -0.200 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -5.776 12.147 -0.071 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -5.520 10.963 -1.337 1.00 0.00 H new ATOM 1032 N LEU A 85 -7.972 9.542 -2.526 1.00 0.00 N ATOM 1033 CA LEU A 85 -8.549 9.001 -3.779 1.00 0.00 C ATOM 1034 C LEU A 85 -9.983 8.473 -3.558 1.00 0.00 C ATOM 1035 O LEU A 85 -10.779 8.430 -4.499 1.00 0.00 O ATOM 1036 CB LEU A 85 -7.646 7.867 -4.296 1.00 0.00 C ATOM 1037 CG LEU A 85 -6.205 8.294 -4.714 1.00 0.00 C ATOM 1038 CD1 LEU A 85 -5.315 7.064 -4.896 1.00 0.00 C ATOM 1039 CD2 LEU A 85 -6.216 9.174 -5.997 1.00 0.00 C ATOM 0 H LEU A 85 -7.303 8.912 -2.082 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.602 9.804 -4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.570 7.105 -3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.132 7.402 -5.154 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.790 8.903 -3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.313 7.380 -5.188 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.263 6.511 -3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.734 6.423 -5.672 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.194 9.452 -6.257 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.660 8.613 -6.819 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.802 10.075 -5.815 1.00 0.00 H new ATOM 1051 N GLY A 86 -10.310 8.090 -2.308 1.00 0.00 N ATOM 1052 CA GLY A 86 -11.628 7.518 -1.986 1.00 0.00 C ATOM 1053 C GLY A 86 -11.647 5.988 -2.042 1.00 0.00 C ATOM 1054 O GLY A 86 -12.700 5.383 -2.268 1.00 0.00 O ATOM 0 H GLY A 86 -9.681 8.167 -1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -11.925 7.843 -0.989 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -12.368 7.911 -2.683 1.00 0.00 H new ATOM 1058 N MET A 87 -10.465 5.376 -1.850 1.00 0.00 N ATOM 1059 CA MET A 87 -10.299 3.913 -1.688 1.00 0.00 C ATOM 1060 C MET A 87 -10.765 3.461 -0.291 1.00 0.00 C ATOM 1061 O MET A 87 -11.011 4.291 0.596 1.00 0.00 O ATOM 1062 CB MET A 87 -8.814 3.498 -1.878 1.00 0.00 C ATOM 1063 CG MET A 87 -8.230 3.758 -3.264 1.00 0.00 C ATOM 1064 SD MET A 87 -6.483 3.308 -3.347 1.00 0.00 S ATOM 1065 CE MET A 87 -6.110 3.608 -5.067 1.00 0.00 C ATOM 0 H MET A 87 -9.584 5.887 -1.802 1.00 0.00 H new ATOM 0 HA MET A 87 -10.910 3.431 -2.451 1.00 0.00 H new ATOM 0 HB2 MET A 87 -8.210 4.030 -1.143 1.00 0.00 H new ATOM 0 HB3 MET A 87 -8.721 2.435 -1.658 1.00 0.00 H new ATOM 0 HG2 MET A 87 -8.788 3.188 -4.007 1.00 0.00 H new ATOM 0 HG3 MET A 87 -8.347 4.812 -3.516 1.00 0.00 H new ATOM 0 HE1 MET A 87 -5.044 3.457 -5.240 1.00 0.00 H new ATOM 0 HE2 MET A 87 -6.680 2.918 -5.689 1.00 0.00 H new ATOM 0 HE3 MET A 87 -6.378 4.633 -5.324 1.00 0.00 H new ATOM 1075 N GLU A 88 -10.842 2.136 -0.107 1.00 0.00 N ATOM 1076 CA GLU A 88 -11.194 1.506 1.180 1.00 0.00 C ATOM 1077 C GLU A 88 -10.604 0.071 1.207 1.00 0.00 C ATOM 1078 O GLU A 88 -10.064 -0.381 0.193 1.00 0.00 O ATOM 1079 CB GLU A 88 -12.747 1.533 1.370 1.00 0.00 C ATOM 1080 CG GLU A 88 -13.258 1.176 2.784 1.00 0.00 C ATOM 1081 CD GLU A 88 -12.576 1.986 3.903 1.00 0.00 C ATOM 1082 OE1 GLU A 88 -12.957 3.153 4.126 1.00 0.00 O ATOM 1083 OE2 GLU A 88 -11.640 1.460 4.547 1.00 0.00 O ATOM 0 H GLU A 88 -10.661 1.463 -0.851 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.767 2.056 2.019 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.108 2.529 1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.193 0.840 0.657 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -14.334 1.345 2.827 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -13.095 0.113 2.964 1.00 0.00 H new ATOM 1090 N SER A 89 -10.718 -0.648 2.348 1.00 0.00 N ATOM 1091 CA SER A 89 -10.065 -1.970 2.590 1.00 0.00 C ATOM 1092 C SER A 89 -10.528 -3.139 1.647 1.00 0.00 C ATOM 1093 O SER A 89 -10.261 -4.312 1.934 1.00 0.00 O ATOM 1094 CB SER A 89 -10.266 -2.338 4.087 1.00 0.00 C ATOM 1095 OG SER A 89 -9.466 -3.450 4.477 1.00 0.00 O ATOM 0 H SER A 89 -11.273 -0.327 3.142 1.00 0.00 H new ATOM 0 HA SER A 89 -9.010 -1.853 2.344 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.017 -1.477 4.708 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.317 -2.567 4.266 1.00 0.00 H new ATOM 0 HG SER A 89 -9.621 -3.648 5.424 1.00 0.00 H new ATOM 1101 N GLY A 90 -11.208 -2.822 0.534 1.00 0.00 N ATOM 1102 CA GLY A 90 -11.487 -3.779 -0.537 1.00 0.00 C ATOM 1103 C GLY A 90 -11.686 -3.062 -1.857 1.00 0.00 C ATOM 1104 O GLY A 90 -12.717 -3.226 -2.518 1.00 0.00 O ATOM 0 H GLY A 90 -11.580 -1.889 0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.663 -4.487 -0.623 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -12.379 -4.356 -0.293 1.00 0.00 H new ATOM 1108 N ASP A 91 -10.680 -2.257 -2.249 1.00 0.00 N ATOM 1109 CA ASP A 91 -10.727 -1.463 -3.505 1.00 0.00 C ATOM 1110 C ASP A 91 -9.774 -2.101 -4.543 1.00 0.00 C ATOM 1111 O ASP A 91 -9.193 -3.172 -4.287 1.00 0.00 O ATOM 1112 CB ASP A 91 -10.385 0.043 -3.235 1.00 0.00 C ATOM 1113 CG ASP A 91 -11.221 1.015 -4.100 1.00 0.00 C ATOM 1114 OD1 ASP A 91 -11.011 1.083 -5.331 1.00 0.00 O ATOM 1115 OD2 ASP A 91 -12.127 1.682 -3.554 1.00 0.00 O ATOM 0 H ASP A 91 -9.819 -2.135 -1.716 1.00 0.00 H new ATOM 0 HA ASP A 91 -11.739 -1.479 -3.909 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -10.554 0.265 -2.181 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -9.326 0.210 -3.430 1.00 0.00 H new ATOM 1120 N LEU A 92 -9.578 -1.436 -5.698 1.00 0.00 N ATOM 1121 CA LEU A 92 -8.889 -2.025 -6.851 1.00 0.00 C ATOM 1122 C LEU A 92 -7.970 -0.971 -7.516 1.00 0.00 C ATOM 1123 O LEU A 92 -8.349 0.187 -7.716 1.00 0.00 O ATOM 1124 CB LEU A 92 -9.917 -2.609 -7.864 1.00 0.00 C ATOM 1125 CG LEU A 92 -9.322 -3.422 -9.064 1.00 0.00 C ATOM 1126 CD1 LEU A 92 -8.469 -4.624 -8.579 1.00 0.00 C ATOM 1127 CD2 LEU A 92 -10.438 -3.872 -10.040 1.00 0.00 C ATOM 0 H LEU A 92 -9.894 -0.479 -5.853 1.00 0.00 H new ATOM 0 HA LEU A 92 -8.264 -2.849 -6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.605 -3.256 -7.319 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.506 -1.785 -8.267 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.652 -2.757 -9.610 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -8.075 -5.162 -9.441 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.642 -4.261 -7.969 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.090 -5.295 -7.986 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.997 -4.434 -10.863 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.151 -4.504 -9.511 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.952 -2.995 -10.434 1.00 0.00 H new ATOM 1139 N ILE A 93 -6.754 -1.421 -7.819 1.00 0.00 N ATOM 1140 CA ILE A 93 -5.672 -0.625 -8.429 1.00 0.00 C ATOM 1141 C ILE A 93 -5.150 -1.374 -9.659 1.00 0.00 C ATOM 1142 O ILE A 93 -5.217 -2.608 -9.719 1.00 0.00 O ATOM 1143 CB ILE A 93 -4.502 -0.346 -7.400 1.00 0.00 C ATOM 1144 CG1 ILE A 93 -5.076 0.260 -6.080 1.00 0.00 C ATOM 1145 CG2 ILE A 93 -3.410 0.590 -7.996 1.00 0.00 C ATOM 1146 CD1 ILE A 93 -4.061 0.507 -4.988 1.00 0.00 C ATOM 0 H ILE A 93 -6.477 -2.387 -7.642 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.067 0.347 -8.726 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.026 -1.301 -7.179 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.568 1.204 -6.317 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.843 -0.412 -5.695 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.627 0.754 -7.255 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.979 0.127 -8.883 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.859 1.546 -8.267 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.560 0.928 -4.115 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.585 -0.434 -4.714 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.305 1.206 -5.346 1.00 0.00 H new ATOM 1158 N GLU A 94 -4.630 -0.625 -10.631 1.00 0.00 N ATOM 1159 CA GLU A 94 -4.213 -1.135 -11.937 1.00 0.00 C ATOM 1160 C GLU A 94 -2.706 -0.923 -12.083 1.00 0.00 C ATOM 1161 O GLU A 94 -2.109 -0.150 -11.332 1.00 0.00 O ATOM 1162 CB GLU A 94 -4.960 -0.383 -13.065 1.00 0.00 C ATOM 1163 CG GLU A 94 -6.492 -0.449 -12.966 1.00 0.00 C ATOM 1164 CD GLU A 94 -7.186 0.417 -14.022 1.00 0.00 C ATOM 1165 OE1 GLU A 94 -7.267 -0.021 -15.191 1.00 0.00 O ATOM 1166 OE2 GLU A 94 -7.644 1.543 -13.698 1.00 0.00 O ATOM 0 H GLU A 94 -4.483 0.379 -10.529 1.00 0.00 H new ATOM 0 HA GLU A 94 -4.451 -2.196 -12.012 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.652 0.663 -13.054 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.652 -0.796 -14.026 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.816 -1.484 -13.079 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.803 -0.124 -11.973 1.00 0.00 H new ATOM 1173 N VAL A 95 -2.115 -1.601 -13.068 1.00 0.00 N ATOM 1174 CA VAL A 95 -0.678 -1.549 -13.362 1.00 0.00 C ATOM 1175 C VAL A 95 -0.484 -1.549 -14.886 1.00 0.00 C ATOM 1176 O VAL A 95 -0.806 -2.522 -15.565 1.00 0.00 O ATOM 1177 CB VAL A 95 0.107 -2.737 -12.672 1.00 0.00 C ATOM 1178 CG1 VAL A 95 1.499 -2.981 -13.299 1.00 0.00 C ATOM 1179 CG2 VAL A 95 0.223 -2.495 -11.151 1.00 0.00 C ATOM 0 H VAL A 95 -2.631 -2.215 -13.698 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.262 -0.631 -12.947 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.473 -3.644 -12.845 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.990 -3.807 -12.785 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.384 -3.227 -14.355 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.105 -2.081 -13.200 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.766 -3.321 -10.691 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.760 -1.564 -10.971 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.774 -2.429 -10.716 1.00 0.00 H new ATOM 1189 N TRP A 96 0.005 -0.422 -15.405 1.00 0.00 N ATOM 1190 CA TRP A 96 0.207 -0.187 -16.838 1.00 0.00 C ATOM 1191 C TRP A 96 1.711 -0.025 -17.110 1.00 0.00 C ATOM 1192 O TRP A 96 2.278 1.048 -16.885 1.00 0.00 O ATOM 1193 CB TRP A 96 -0.607 1.067 -17.272 1.00 0.00 C ATOM 1194 CG TRP A 96 -2.111 0.846 -17.259 1.00 0.00 C ATOM 1195 CD1 TRP A 96 -2.934 0.737 -16.165 1.00 0.00 C ATOM 1196 CD2 TRP A 96 -2.959 0.687 -18.404 1.00 0.00 C ATOM 1197 NE1 TRP A 96 -4.231 0.536 -16.566 1.00 0.00 N ATOM 1198 CE2 TRP A 96 -4.272 0.502 -17.936 1.00 0.00 C ATOM 1199 CE3 TRP A 96 -2.729 0.698 -19.784 1.00 0.00 C ATOM 1200 CZ2 TRP A 96 -5.349 0.316 -18.799 1.00 0.00 C ATOM 1201 CZ3 TRP A 96 -3.798 0.512 -20.641 1.00 0.00 C ATOM 1202 CH2 TRP A 96 -5.097 0.329 -20.145 1.00 0.00 C ATOM 0 H TRP A 96 0.279 0.373 -14.828 1.00 0.00 H new ATOM 0 HA TRP A 96 -0.151 -1.032 -17.426 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -0.364 1.896 -16.608 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -0.299 1.361 -18.275 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -2.608 0.800 -15.137 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -5.034 0.429 -15.946 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -1.733 0.849 -20.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -6.349 0.167 -18.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -3.630 0.508 -21.708 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -5.915 0.196 -20.838 1.00 0.00 H new ATOM 1213 N GLY A 97 2.344 -1.120 -17.557 1.00 0.00 N ATOM 1214 CA GLY A 97 3.777 -1.163 -17.809 1.00 0.00 C ATOM 1215 C GLY A 97 4.124 -2.244 -18.826 1.00 0.00 C ATOM 1216 O GLY A 97 4.150 -1.946 -20.040 1.00 0.00 O ATOM 1217 OXT GLY A 97 4.349 -3.408 -18.430 1.00 0.00 O ATOM 0 H GLY A 97 1.867 -2.000 -17.752 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.114 -0.193 -18.175 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.308 -1.353 -16.876 1.00 0.00 H new TER 1221 GLY A 97