USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 460 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 73 ASN : amide:sc= 0.0143 K(o=0.092,f=-0.6) USER MOD Set 1.2: A 75 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 76 THR OG1 : rot -84:sc= 0.0777 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 70 TYR OH : rot 173:sc= 0.657 USER MOD Single : A 74 TYR OH : rot 30:sc= -0.004 USER MOD Single : A 79 ASN : amide:sc= -2.13! X(o=-2.1!,f=-1.8) USER MOD Single : A 82 LYS NZ :NH3+ 131:sc= 0.103 (180deg=-0.0567) USER MOD Single : A 83 LYS NZ :NH3+ 172:sc=-0.00578 (180deg=-0.103) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl -171:sc= -0.0658 (180deg=-0.129) USER MOD Single : A 102 GLN : amide:sc= -0.0643 X(o=-0.064,f=-0.064) USER MOD Single : A 106 GLN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 167:sc= -0.0112 (180deg=-0.181) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N ILE A 60 -4.748 -9.724 -0.032 1.00 0.00 N ATOM 28 CA ILE A 60 -5.752 -9.213 -0.945 1.00 0.00 C ATOM 29 C ILE A 60 -6.681 -8.310 -0.208 1.00 0.00 C ATOM 30 O ILE A 60 -6.791 -7.125 -0.521 1.00 0.00 O ATOM 31 CB ILE A 60 -6.658 -10.196 -1.679 1.00 0.00 C ATOM 32 CG1 ILE A 60 -7.078 -11.496 -0.934 1.00 0.00 C ATOM 33 CG2 ILE A 60 -6.035 -10.445 -3.067 1.00 0.00 C ATOM 34 CD1 ILE A 60 -5.942 -12.421 -0.527 1.00 0.00 C ATOM 0 HA ILE A 60 -5.128 -8.748 -1.709 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.637 -9.723 -1.759 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.632 -11.216 -0.038 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.764 -12.053 -1.572 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.657 -11.146 -3.624 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.972 -9.503 -3.612 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.035 -10.863 -2.947 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.349 -13.294 -0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.398 -12.741 -1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.264 -11.892 0.143 1.00 0.00 H new ATOM 46 N ALA A 61 -7.372 -8.872 0.807 1.00 0.00 N ATOM 47 CA ALA A 61 -8.301 -8.165 1.632 1.00 0.00 C ATOM 48 C ALA A 61 -7.485 -7.672 2.768 1.00 0.00 C ATOM 49 O ALA A 61 -7.969 -6.959 3.642 1.00 0.00 O ATOM 50 CB ALA A 61 -9.401 -9.070 2.206 1.00 0.00 C ATOM 0 H ALA A 61 -7.277 -9.856 1.059 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.800 -7.389 1.051 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.075 -8.476 2.823 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.962 -9.524 1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.948 -9.853 2.814 1.00 0.00 H new ATOM 56 N ARG A 62 -6.199 -8.056 2.746 1.00 0.00 N ATOM 57 CA ARG A 62 -5.203 -7.588 3.643 1.00 0.00 C ATOM 58 C ARG A 62 -4.878 -6.186 3.243 1.00 0.00 C ATOM 59 O ARG A 62 -4.769 -5.310 4.096 1.00 0.00 O ATOM 60 CB ARG A 62 -3.927 -8.429 3.512 1.00 0.00 C ATOM 61 CG ARG A 62 -4.160 -9.935 3.667 1.00 0.00 C ATOM 62 CD ARG A 62 -2.871 -10.626 4.125 1.00 0.00 C ATOM 63 NE ARG A 62 -3.110 -12.097 4.151 1.00 0.00 N ATOM 64 CZ ARG A 62 -2.110 -12.947 4.528 1.00 0.00 C ATOM 65 NH1 ARG A 62 -0.929 -12.449 4.994 1.00 0.00 N ATOM 66 NH2 ARG A 62 -2.292 -14.296 4.432 1.00 0.00 N ATOM 0 H ARG A 62 -5.840 -8.727 2.067 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.565 -7.651 4.669 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.476 -8.239 2.538 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.209 -8.103 4.264 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.955 -10.115 4.391 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.491 -10.359 2.719 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.051 -10.387 3.448 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.581 -10.271 5.114 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.022 -12.469 3.887 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.792 -11.441 5.061 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.183 -13.085 5.275 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.174 -14.668 4.079 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.546 -14.933 4.713 1.00 0.00 H new ATOM 80 N ILE A 63 -4.724 -5.954 1.920 1.00 0.00 N ATOM 81 CA ILE A 63 -4.408 -4.716 1.310 1.00 0.00 C ATOM 82 C ILE A 63 -5.578 -3.818 1.397 1.00 0.00 C ATOM 83 O ILE A 63 -5.422 -2.647 1.724 1.00 0.00 O ATOM 84 CB ILE A 63 -4.133 -4.917 -0.157 1.00 0.00 C ATOM 85 CG1 ILE A 63 -3.324 -6.208 -0.331 1.00 0.00 C ATOM 86 CG2 ILE A 63 -3.346 -3.692 -0.605 1.00 0.00 C ATOM 87 CD1 ILE A 63 -2.795 -6.478 -1.737 1.00 0.00 C ATOM 0 H ILE A 63 -4.832 -6.701 1.234 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.538 -4.298 1.816 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.040 -5.018 -0.753 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.478 -6.179 0.355 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.949 -7.049 -0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.114 -3.777 -1.667 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.941 -2.795 -0.434 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.419 -3.627 -0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.239 -7.416 -1.743 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.631 -6.547 -2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.137 -5.664 -2.041 1.00 0.00 H new ATOM 99 N ASN A 64 -6.775 -4.364 1.095 1.00 0.00 N ATOM 100 CA ASN A 64 -8.002 -3.620 1.100 1.00 0.00 C ATOM 101 C ASN A 64 -8.233 -3.057 2.456 1.00 0.00 C ATOM 102 O ASN A 64 -8.647 -1.909 2.607 1.00 0.00 O ATOM 103 CB ASN A 64 -9.207 -4.526 0.819 1.00 0.00 C ATOM 104 CG ASN A 64 -10.420 -3.662 0.485 1.00 0.00 C ATOM 105 OD1 ASN A 64 -10.426 -2.906 -0.493 1.00 0.00 O ATOM 106 ND2 ASN A 64 -11.478 -3.790 1.344 1.00 0.00 N ATOM 0 H ASN A 64 -6.892 -5.345 0.842 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.911 -2.849 0.334 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.986 -5.198 -0.010 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.418 -5.150 1.688 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.327 -3.245 1.192 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.417 -4.430 2.136 1.00 0.00 H new ATOM 113 N ALA A 65 -7.950 -3.892 3.471 1.00 0.00 N ATOM 114 CA ALA A 65 -8.190 -3.538 4.841 1.00 0.00 C ATOM 115 C ALA A 65 -7.115 -2.641 5.364 1.00 0.00 C ATOM 116 O ALA A 65 -7.342 -1.917 6.333 1.00 0.00 O ATOM 117 CB ALA A 65 -8.248 -4.739 5.793 1.00 0.00 C ATOM 0 H ALA A 65 -7.551 -4.822 3.344 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.162 -3.046 4.823 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.432 -4.389 6.809 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.053 -5.407 5.487 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.300 -5.275 5.760 1.00 0.00 H new ATOM 123 N ALA A 66 -5.916 -2.660 4.750 1.00 0.00 N ATOM 124 CA ALA A 66 -4.841 -1.870 5.272 1.00 0.00 C ATOM 125 C ALA A 66 -4.995 -0.441 4.863 1.00 0.00 C ATOM 126 O ALA A 66 -4.573 0.460 5.587 1.00 0.00 O ATOM 127 CB ALA A 66 -3.476 -2.322 4.749 1.00 0.00 C ATOM 0 H ALA A 66 -5.694 -3.205 3.917 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.884 -1.991 6.354 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.696 -1.691 5.175 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.301 -3.359 5.037 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.457 -2.239 3.662 1.00 0.00 H new ATOM 133 N VAL A 67 -5.585 -0.204 3.675 1.00 0.00 N ATOM 134 CA VAL A 67 -5.523 1.085 3.058 1.00 0.00 C ATOM 135 C VAL A 67 -6.707 1.899 3.453 1.00 0.00 C ATOM 136 O VAL A 67 -6.707 3.114 3.262 1.00 0.00 O ATOM 137 CB VAL A 67 -5.425 1.021 1.554 1.00 0.00 C ATOM 138 CG1 VAL A 67 -4.084 0.364 1.187 1.00 0.00 C ATOM 139 CG2 VAL A 67 -6.635 0.299 0.933 1.00 0.00 C ATOM 0 H VAL A 67 -6.103 -0.904 3.144 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.607 1.556 3.414 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.450 2.027 1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.991 0.307 0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.265 0.959 1.590 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.044 -0.641 1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.527 0.274 -0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.687 -0.720 1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.550 0.831 1.194 1.00 0.00 H new ATOM 149 N ARG A 68 -7.745 1.249 4.023 1.00 0.00 N ATOM 150 CA ARG A 68 -8.888 1.966 4.508 1.00 0.00 C ATOM 151 C ARG A 68 -8.497 2.572 5.817 1.00 0.00 C ATOM 152 O ARG A 68 -8.372 1.902 6.840 1.00 0.00 O ATOM 153 CB ARG A 68 -10.169 1.112 4.629 1.00 0.00 C ATOM 154 CG ARG A 68 -9.968 -0.254 5.296 1.00 0.00 C ATOM 155 CD ARG A 68 -11.201 -1.155 5.239 1.00 0.00 C ATOM 156 NE ARG A 68 -12.272 -0.530 6.069 1.00 0.00 N ATOM 157 CZ ARG A 68 -13.337 -1.262 6.512 1.00 0.00 C ATOM 158 NH1 ARG A 68 -13.466 -2.576 6.167 1.00 0.00 N ATOM 159 NH2 ARG A 68 -14.278 -0.674 7.308 1.00 0.00 N ATOM 0 H ARG A 68 -7.792 0.238 4.146 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.159 2.731 3.780 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.911 1.673 5.197 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.582 0.957 3.632 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.134 -0.764 4.814 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.689 -0.101 6.339 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.538 -1.274 4.209 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.962 -2.151 5.613 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.208 0.459 6.309 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -12.764 -3.019 5.574 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -14.264 -3.115 6.502 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.184 0.307 7.569 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -15.075 -1.216 7.641 1.00 0.00 H new ATOM 173 N ALA A 69 -8.247 3.894 5.767 1.00 0.00 N ATOM 174 CA ALA A 69 -7.668 4.627 6.849 1.00 0.00 C ATOM 175 C ALA A 69 -7.425 5.960 6.241 1.00 0.00 C ATOM 176 O ALA A 69 -7.726 7.000 6.826 1.00 0.00 O ATOM 177 CB ALA A 69 -6.285 4.111 7.294 1.00 0.00 C ATOM 0 H ALA A 69 -8.454 4.468 4.950 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.320 4.577 7.721 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.917 4.722 8.118 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.371 3.075 7.620 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.588 4.171 6.458 1.00 0.00 H new ATOM 183 N TYR A 70 -6.856 5.924 5.022 1.00 0.00 N ATOM 184 CA TYR A 70 -6.407 7.096 4.340 1.00 0.00 C ATOM 185 C TYR A 70 -7.552 7.645 3.562 1.00 0.00 C ATOM 186 O TYR A 70 -7.758 8.857 3.527 1.00 0.00 O ATOM 187 CB TYR A 70 -5.276 6.777 3.347 1.00 0.00 C ATOM 188 CG TYR A 70 -4.245 5.954 4.044 1.00 0.00 C ATOM 189 CD1 TYR A 70 -3.583 6.435 5.162 1.00 0.00 C ATOM 190 CD2 TYR A 70 -3.957 4.680 3.590 1.00 0.00 C ATOM 191 CE1 TYR A 70 -2.683 5.636 5.837 1.00 0.00 C ATOM 192 CE2 TYR A 70 -3.054 3.884 4.263 1.00 0.00 C ATOM 193 CZ TYR A 70 -2.429 4.357 5.393 1.00 0.00 C ATOM 194 OH TYR A 70 -1.518 3.538 6.086 1.00 0.00 O ATOM 0 H TYR A 70 -6.705 5.061 4.500 1.00 0.00 H new ATOM 0 HA TYR A 70 -6.034 7.803 5.081 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.670 6.238 2.486 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.832 7.699 2.971 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.772 7.441 5.507 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -4.443 4.305 2.701 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.178 6.013 6.714 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.838 2.889 3.903 1.00 0.00 H new ATOM 0 HH TYR A 70 -1.536 2.635 5.707 1.00 0.00 H new ATOM 204 N GLY A 71 -8.319 6.744 2.916 1.00 0.00 N ATOM 205 CA GLY A 71 -9.363 7.136 2.014 1.00 0.00 C ATOM 206 C GLY A 71 -9.146 6.326 0.782 1.00 0.00 C ATOM 207 O GLY A 71 -9.979 6.312 -0.123 1.00 0.00 O ATOM 0 H GLY A 71 -8.215 5.735 3.020 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.346 6.943 2.443 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.314 8.203 1.796 1.00 0.00 H new ATOM 211 N LEU A 72 -7.996 5.624 0.743 1.00 0.00 N ATOM 212 CA LEU A 72 -7.673 4.720 -0.315 1.00 0.00 C ATOM 213 C LEU A 72 -8.502 3.516 -0.111 1.00 0.00 C ATOM 214 O LEU A 72 -8.761 3.096 1.016 1.00 0.00 O ATOM 215 CB LEU A 72 -6.200 4.299 -0.298 1.00 0.00 C ATOM 216 CG LEU A 72 -5.222 5.467 -0.535 1.00 0.00 C ATOM 217 CD1 LEU A 72 -3.768 4.995 -0.402 1.00 0.00 C ATOM 218 CD2 LEU A 72 -5.449 6.129 -1.900 1.00 0.00 C ATOM 0 H LEU A 72 -7.277 5.688 1.463 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.859 5.211 -1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.974 3.836 0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.039 3.540 -1.063 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.417 6.216 0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.095 5.836 -0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.605 4.598 0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.570 4.216 -1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.741 6.947 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.302 5.393 -2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.466 6.518 -1.951 1.00 0.00 H new ATOM 230 N ASN A 73 -8.993 3.006 -1.249 1.00 0.00 N ATOM 231 CA ASN A 73 -9.987 1.987 -1.272 1.00 0.00 C ATOM 232 C ASN A 73 -9.506 0.825 -2.068 1.00 0.00 C ATOM 233 O ASN A 73 -10.327 0.047 -2.551 1.00 0.00 O ATOM 234 CB ASN A 73 -11.348 2.480 -1.817 1.00 0.00 C ATOM 235 CG ASN A 73 -11.250 2.913 -3.285 1.00 0.00 C ATOM 236 OD1 ASN A 73 -10.523 3.844 -3.648 1.00 0.00 O ATOM 237 ND2 ASN A 73 -12.049 2.208 -4.144 1.00 0.00 N ATOM 0 H ASN A 73 -8.692 3.309 -2.175 1.00 0.00 H new ATOM 0 HA ASN A 73 -10.155 1.686 -0.238 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -12.088 1.685 -1.721 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -11.700 3.317 -1.214 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -12.063 2.443 -5.136 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -12.630 1.448 -3.792 1.00 0.00 H new ATOM 244 N TYR A 74 -8.163 0.708 -2.199 1.00 0.00 N ATOM 245 CA TYR A 74 -7.446 -0.313 -2.930 1.00 0.00 C ATOM 246 C TYR A 74 -7.230 0.164 -4.335 1.00 0.00 C ATOM 247 O TYR A 74 -6.187 -0.128 -4.911 1.00 0.00 O ATOM 248 CB TYR A 74 -8.041 -1.758 -2.900 1.00 0.00 C ATOM 249 CG TYR A 74 -7.255 -2.752 -3.709 1.00 0.00 C ATOM 250 CD1 TYR A 74 -7.526 -2.897 -5.061 1.00 0.00 C ATOM 251 CD2 TYR A 74 -6.318 -3.594 -3.130 1.00 0.00 C ATOM 252 CE1 TYR A 74 -6.819 -3.789 -5.838 1.00 0.00 C ATOM 253 CE2 TYR A 74 -5.607 -4.487 -3.909 1.00 0.00 C ATOM 254 CZ TYR A 74 -5.842 -4.572 -5.264 1.00 0.00 C ATOM 255 OH TYR A 74 -5.110 -5.479 -6.059 1.00 0.00 O ATOM 0 H TYR A 74 -7.530 1.377 -1.761 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.503 -0.441 -2.399 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.088 -2.101 -1.866 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.065 -1.728 -3.273 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.305 -2.301 -5.513 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.143 -3.552 -2.065 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.030 -3.874 -6.894 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.862 -5.122 -3.453 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.044 -5.133 -6.973 1.00 0.00 H new ATOM 265 N SER A 75 -8.207 0.883 -4.930 1.00 0.00 N ATOM 266 CA SER A 75 -8.174 1.162 -6.341 1.00 0.00 C ATOM 267 C SER A 75 -7.243 2.292 -6.630 1.00 0.00 C ATOM 268 O SER A 75 -6.616 2.332 -7.687 1.00 0.00 O ATOM 269 CB SER A 75 -9.545 1.483 -6.965 1.00 0.00 C ATOM 270 OG SER A 75 -10.035 2.740 -6.525 1.00 0.00 O ATOM 0 H SER A 75 -9.014 1.269 -4.440 1.00 0.00 H new ATOM 0 HA SER A 75 -7.827 0.236 -6.799 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.460 1.485 -8.052 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.258 0.701 -6.702 1.00 0.00 H new ATOM 0 HG SER A 75 -10.906 2.915 -6.940 1.00 0.00 H new ATOM 276 N THR A 76 -7.152 3.254 -5.694 1.00 0.00 N ATOM 277 CA THR A 76 -6.368 4.431 -5.902 1.00 0.00 C ATOM 278 C THR A 76 -5.002 4.174 -5.355 1.00 0.00 C ATOM 279 O THR A 76 -4.020 4.805 -5.755 1.00 0.00 O ATOM 280 CB THR A 76 -6.980 5.620 -5.227 1.00 0.00 C ATOM 281 OG1 THR A 76 -7.615 5.204 -4.027 1.00 0.00 O ATOM 282 CG2 THR A 76 -8.030 6.241 -6.163 1.00 0.00 C ATOM 0 H THR A 76 -7.623 3.216 -4.790 1.00 0.00 H new ATOM 0 HA THR A 76 -6.321 4.654 -6.968 1.00 0.00 H new ATOM 0 HB THR A 76 -6.206 6.352 -4.997 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.514 4.873 -4.231 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.481 7.108 -5.680 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.551 6.552 -7.092 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.803 5.505 -6.382 1.00 0.00 H new ATOM 290 N PHE A 77 -4.922 3.188 -4.441 1.00 0.00 N ATOM 291 CA PHE A 77 -3.679 2.716 -3.913 1.00 0.00 C ATOM 292 C PHE A 77 -2.941 2.129 -5.057 1.00 0.00 C ATOM 293 O PHE A 77 -1.767 2.423 -5.259 1.00 0.00 O ATOM 294 CB PHE A 77 -3.899 1.586 -2.893 1.00 0.00 C ATOM 295 CG PHE A 77 -2.642 1.159 -2.198 1.00 0.00 C ATOM 296 CD1 PHE A 77 -1.740 2.060 -1.654 1.00 0.00 C ATOM 297 CD2 PHE A 77 -2.421 -0.195 -2.021 1.00 0.00 C ATOM 298 CE1 PHE A 77 -0.662 1.617 -0.914 1.00 0.00 C ATOM 299 CE2 PHE A 77 -1.347 -0.640 -1.275 1.00 0.00 C ATOM 300 CZ PHE A 77 -0.469 0.266 -0.715 1.00 0.00 C ATOM 0 H PHE A 77 -5.739 2.709 -4.061 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.153 3.536 -3.424 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.624 1.915 -2.148 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.334 0.726 -3.403 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.882 3.119 -1.811 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.094 -0.910 -2.470 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.031 2.329 -0.491 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.194 -1.699 -1.130 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.365 -0.081 -0.124 1.00 0.00 H new ATOM 310 N ILE A 78 -3.676 1.311 -5.836 1.00 0.00 N ATOM 311 CA ILE A 78 -3.211 0.544 -6.957 1.00 0.00 C ATOM 312 C ILE A 78 -2.461 1.447 -7.893 1.00 0.00 C ATOM 313 O ILE A 78 -1.384 1.098 -8.375 1.00 0.00 O ATOM 314 CB ILE A 78 -4.376 -0.144 -7.656 1.00 0.00 C ATOM 315 CG1 ILE A 78 -4.273 -1.669 -7.502 1.00 0.00 C ATOM 316 CG2 ILE A 78 -4.597 0.226 -9.141 1.00 0.00 C ATOM 317 CD1 ILE A 78 -3.131 -2.334 -8.274 1.00 0.00 C ATOM 0 H ILE A 78 -4.673 1.175 -5.669 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.536 -0.239 -6.612 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.257 0.242 -7.143 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.157 -1.903 -6.444 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.214 -2.114 -7.825 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.453 -0.326 -9.530 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.786 1.296 -9.225 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.708 -0.031 -9.716 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.149 -3.409 -8.096 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.251 -2.141 -9.340 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.178 -1.926 -7.937 1.00 0.00 H new ATOM 329 N ASN A 79 -3.034 2.644 -8.152 1.00 0.00 N ATOM 330 CA ASN A 79 -2.526 3.506 -9.185 1.00 0.00 C ATOM 331 C ASN A 79 -1.292 4.209 -8.768 1.00 0.00 C ATOM 332 O ASN A 79 -0.322 4.297 -9.515 1.00 0.00 O ATOM 333 CB ASN A 79 -3.536 4.554 -9.722 1.00 0.00 C ATOM 334 CG ASN A 79 -3.641 5.943 -9.060 1.00 0.00 C ATOM 335 OD1 ASN A 79 -2.790 6.814 -9.279 1.00 0.00 O ATOM 336 ND2 ASN A 79 -4.761 6.169 -8.318 1.00 0.00 N ATOM 0 H ASN A 79 -3.842 3.012 -7.651 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.313 2.817 -10.002 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.305 4.715 -10.775 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.526 4.100 -9.679 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -4.928 7.091 -7.914 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.433 5.417 -8.167 1.00 0.00 H new ATOM 343 N GLY A 80 -1.352 4.760 -7.556 1.00 0.00 N ATOM 344 CA GLY A 80 -0.325 5.627 -7.040 1.00 0.00 C ATOM 345 C GLY A 80 0.940 4.898 -6.715 1.00 0.00 C ATOM 346 O GLY A 80 2.007 5.507 -6.648 1.00 0.00 O ATOM 0 H GLY A 80 -2.126 4.608 -6.909 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.112 6.406 -7.772 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.693 6.125 -6.143 1.00 0.00 H new ATOM 350 N LEU A 81 0.852 3.578 -6.481 1.00 0.00 N ATOM 351 CA LEU A 81 2.019 2.746 -6.341 1.00 0.00 C ATOM 352 C LEU A 81 2.810 2.725 -7.603 1.00 0.00 C ATOM 353 O LEU A 81 4.029 2.670 -7.550 1.00 0.00 O ATOM 354 CB LEU A 81 1.664 1.286 -6.085 1.00 0.00 C ATOM 355 CG LEU A 81 1.043 1.048 -4.698 1.00 0.00 C ATOM 356 CD1 LEU A 81 0.254 -0.261 -4.695 1.00 0.00 C ATOM 357 CD2 LEU A 81 2.098 1.050 -3.577 1.00 0.00 C ATOM 0 H LEU A 81 -0.032 3.077 -6.387 1.00 0.00 H new ATOM 0 HA LEU A 81 2.572 3.171 -5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.966 0.949 -6.851 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.563 0.678 -6.183 1.00 0.00 H new ATOM 0 HG LEU A 81 0.365 1.877 -4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.182 -0.421 -3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.541 -0.208 -5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.921 -1.089 -4.935 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.610 0.878 -2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.826 0.259 -3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.607 2.014 -3.558 1.00 0.00 H new ATOM 369 N LYS A 82 2.137 2.746 -8.771 1.00 0.00 N ATOM 370 CA LYS A 82 2.803 2.705 -10.043 1.00 0.00 C ATOM 371 C LYS A 82 3.412 4.043 -10.309 1.00 0.00 C ATOM 372 O LYS A 82 4.459 4.139 -10.950 1.00 0.00 O ATOM 373 CB LYS A 82 1.827 2.354 -11.186 1.00 0.00 C ATOM 374 CG LYS A 82 2.468 2.287 -12.580 1.00 0.00 C ATOM 375 CD LYS A 82 1.488 1.780 -13.648 1.00 0.00 C ATOM 376 CE LYS A 82 2.052 1.849 -15.072 1.00 0.00 C ATOM 377 NZ LYS A 82 3.269 1.019 -15.193 1.00 0.00 N ATOM 0 H LYS A 82 1.120 2.792 -8.835 1.00 0.00 H new ATOM 0 HA LYS A 82 3.569 1.930 -10.006 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.364 1.392 -10.967 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.028 3.095 -11.204 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.827 3.277 -12.860 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.337 1.630 -12.547 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.217 0.749 -13.422 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.572 2.368 -13.599 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.300 1.507 -15.783 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.284 2.883 -15.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.192 0.410 -16.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.102 1.635 -15.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.371 0.426 -14.344 1.00 0.00 H new ATOM 391 N LYS A 83 2.768 5.107 -9.786 1.00 0.00 N ATOM 392 CA LYS A 83 3.225 6.457 -9.938 1.00 0.00 C ATOM 393 C LYS A 83 4.536 6.605 -9.216 1.00 0.00 C ATOM 394 O LYS A 83 5.420 7.330 -9.670 1.00 0.00 O ATOM 395 CB LYS A 83 2.189 7.464 -9.389 1.00 0.00 C ATOM 396 CG LYS A 83 2.465 8.939 -9.724 1.00 0.00 C ATOM 397 CD LYS A 83 2.389 9.276 -11.220 1.00 0.00 C ATOM 398 CE LYS A 83 2.509 10.780 -11.491 1.00 0.00 C ATOM 399 NZ LYS A 83 3.805 11.298 -10.998 1.00 0.00 N ATOM 0 H LYS A 83 1.908 5.026 -9.244 1.00 0.00 H new ATOM 0 HA LYS A 83 3.357 6.673 -10.998 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.206 7.198 -9.778 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.142 7.357 -8.305 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.748 9.561 -9.187 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.456 9.203 -9.355 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.185 8.751 -11.748 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.444 8.912 -11.623 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.419 10.970 -12.560 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.691 11.309 -11.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.926 12.283 -11.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.822 11.259 -9.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.579 10.717 -11.379 1.00 0.00 H new ATOM 413 N ALA A 84 4.699 5.879 -8.091 1.00 0.00 N ATOM 414 CA ALA A 84 5.935 5.844 -7.366 1.00 0.00 C ATOM 415 C ALA A 84 6.925 4.986 -8.090 1.00 0.00 C ATOM 416 O ALA A 84 7.958 5.473 -8.547 1.00 0.00 O ATOM 417 CB ALA A 84 5.761 5.280 -5.953 1.00 0.00 C ATOM 0 H ALA A 84 3.961 5.308 -7.679 1.00 0.00 H new ATOM 0 HA ALA A 84 6.288 6.873 -7.291 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.724 5.273 -5.443 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.060 5.902 -5.397 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.375 4.262 -6.012 1.00 0.00 H new ATOM 423 N GLY A 85 6.615 3.682 -8.200 1.00 0.00 N ATOM 424 CA GLY A 85 7.482 2.701 -8.791 1.00 0.00 C ATOM 425 C GLY A 85 7.618 1.539 -7.856 1.00 0.00 C ATOM 426 O GLY A 85 8.646 0.864 -7.839 1.00 0.00 O ATOM 0 H GLY A 85 5.732 3.294 -7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.077 2.369 -9.747 1.00 0.00 H new ATOM 0 HA3 GLY A 85 8.460 3.137 -8.993 1.00 0.00 H new ATOM 430 N ILE A 86 6.568 1.287 -7.056 1.00 0.00 N ATOM 431 CA ILE A 86 6.494 0.227 -6.113 1.00 0.00 C ATOM 432 C ILE A 86 5.990 -0.947 -6.903 1.00 0.00 C ATOM 433 O ILE A 86 6.757 -1.872 -7.169 1.00 0.00 O ATOM 434 CB ILE A 86 5.614 0.618 -4.960 1.00 0.00 C ATOM 435 CG1 ILE A 86 6.233 1.840 -4.242 1.00 0.00 C ATOM 436 CG2 ILE A 86 5.421 -0.557 -3.991 1.00 0.00 C ATOM 437 CD1 ILE A 86 7.589 1.628 -3.562 1.00 0.00 C ATOM 0 H ILE A 86 5.724 1.860 -7.072 1.00 0.00 H new ATOM 0 HA ILE A 86 7.449 -0.020 -5.649 1.00 0.00 H new ATOM 0 HB ILE A 86 4.627 0.888 -5.336 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.340 2.644 -4.971 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.525 2.185 -3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.780 -0.247 -3.166 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.956 -1.390 -4.518 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.390 -0.869 -3.600 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.912 2.559 -3.097 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.497 0.854 -2.800 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.324 1.320 -4.305 1.00 0.00 H new ATOM 449 N GLU A 87 4.698 -0.893 -7.325 1.00 0.00 N ATOM 450 CA GLU A 87 4.032 -1.871 -8.161 1.00 0.00 C ATOM 451 C GLU A 87 4.159 -3.241 -7.581 1.00 0.00 C ATOM 452 O GLU A 87 4.518 -4.187 -8.280 1.00 0.00 O ATOM 453 CB GLU A 87 4.562 -1.939 -9.608 1.00 0.00 C ATOM 454 CG GLU A 87 4.437 -0.623 -10.373 1.00 0.00 C ATOM 455 CD GLU A 87 4.964 -0.868 -11.778 1.00 0.00 C ATOM 456 OE1 GLU A 87 6.205 -1.040 -11.923 1.00 0.00 O ATOM 457 OE2 GLU A 87 4.134 -0.894 -12.725 1.00 0.00 O ATOM 0 H GLU A 87 4.083 -0.121 -7.067 1.00 0.00 H new ATOM 0 HA GLU A 87 2.995 -1.537 -8.193 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.610 -2.238 -9.587 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.019 -2.715 -10.148 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.399 -0.293 -10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.007 0.164 -9.880 1.00 0.00 H new ATOM 464 N LEU A 88 3.902 -3.356 -6.268 1.00 0.00 N ATOM 465 CA LEU A 88 4.348 -4.500 -5.539 1.00 0.00 C ATOM 466 C LEU A 88 3.154 -5.107 -4.859 1.00 0.00 C ATOM 467 O LEU A 88 3.214 -6.229 -4.358 1.00 0.00 O ATOM 468 CB LEU A 88 5.445 -4.039 -4.566 1.00 0.00 C ATOM 469 CG LEU A 88 6.690 -4.945 -4.475 1.00 0.00 C ATOM 470 CD1 LEU A 88 7.823 -4.208 -3.741 1.00 0.00 C ATOM 471 CD2 LEU A 88 6.418 -6.309 -3.817 1.00 0.00 C ATOM 0 H LEU A 88 3.392 -2.666 -5.716 1.00 0.00 H new ATOM 0 HA LEU A 88 4.783 -5.271 -6.175 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.767 -3.040 -4.860 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.008 -3.954 -3.571 1.00 0.00 H new ATOM 0 HG LEU A 88 6.990 -5.163 -5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.699 -4.854 -3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.079 -3.300 -4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.495 -3.947 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.340 -6.890 -3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.054 -6.157 -2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.667 -6.848 -4.394 1.00 0.00 H new ATOM 483 N ASP A 89 2.014 -4.380 -4.869 1.00 0.00 N ATOM 484 CA ASP A 89 0.782 -4.875 -4.304 1.00 0.00 C ATOM 485 C ASP A 89 0.157 -5.837 -5.242 1.00 0.00 C ATOM 486 O ASP A 89 0.658 -6.093 -6.336 1.00 0.00 O ATOM 487 CB ASP A 89 -0.300 -3.793 -4.065 1.00 0.00 C ATOM 488 CG ASP A 89 -0.981 -3.345 -5.359 1.00 0.00 C ATOM 489 OD1 ASP A 89 -0.275 -2.930 -6.317 1.00 0.00 O ATOM 490 OD2 ASP A 89 -2.238 -3.415 -5.390 1.00 0.00 O ATOM 0 H ASP A 89 1.943 -3.445 -5.270 1.00 0.00 H new ATOM 0 HA ASP A 89 1.075 -5.307 -3.347 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.052 -4.182 -3.379 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.156 -2.929 -3.581 1.00 0.00 H new ATOM 495 N ARG A 90 -0.987 -6.353 -4.751 1.00 0.00 N ATOM 496 CA ARG A 90 -1.974 -7.169 -5.379 1.00 0.00 C ATOM 497 C ARG A 90 -1.933 -8.370 -4.518 1.00 0.00 C ATOM 498 O ARG A 90 -2.951 -9.014 -4.267 1.00 0.00 O ATOM 499 CB ARG A 90 -1.789 -7.581 -6.858 1.00 0.00 C ATOM 500 CG ARG A 90 -2.949 -8.418 -7.412 1.00 0.00 C ATOM 501 CD ARG A 90 -2.781 -8.756 -8.894 1.00 0.00 C ATOM 502 NE ARG A 90 -3.947 -9.594 -9.296 1.00 0.00 N ATOM 503 CZ ARG A 90 -4.063 -10.055 -10.577 1.00 0.00 C ATOM 504 NH1 ARG A 90 -3.115 -9.747 -11.507 1.00 0.00 N ATOM 505 NH2 ARG A 90 -5.132 -10.829 -10.924 1.00 0.00 N ATOM 0 H ARG A 90 -1.246 -6.167 -3.782 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.905 -6.607 -5.453 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.678 -6.683 -7.465 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.864 -8.149 -6.955 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.030 -9.342 -6.840 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.883 -7.874 -7.272 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.738 -7.846 -9.493 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.847 -9.292 -9.062 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.664 -9.825 -8.609 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.315 -9.170 -11.248 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.206 -10.093 -12.462 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.841 -11.061 -10.228 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.222 -11.175 -11.879 1.00 0.00 H new ATOM 519 N LYS A 91 -0.713 -8.654 -4.020 1.00 0.00 N ATOM 520 CA LYS A 91 -0.405 -9.698 -3.136 1.00 0.00 C ATOM 521 C LYS A 91 1.045 -9.491 -2.904 1.00 0.00 C ATOM 522 O LYS A 91 1.835 -9.369 -3.840 1.00 0.00 O ATOM 523 CB LYS A 91 -0.716 -11.140 -3.608 1.00 0.00 C ATOM 524 CG LYS A 91 -0.431 -11.454 -5.084 1.00 0.00 C ATOM 525 CD LYS A 91 -1.108 -12.751 -5.561 1.00 0.00 C ATOM 526 CE LYS A 91 -2.643 -12.673 -5.599 1.00 0.00 C ATOM 527 NZ LYS A 91 -3.205 -13.928 -6.148 1.00 0.00 N ATOM 0 H LYS A 91 0.108 -8.100 -4.266 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.039 -9.645 -2.251 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.139 -11.832 -2.994 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.769 -11.343 -3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.774 -10.623 -5.700 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.646 -11.537 -5.231 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.741 -12.996 -6.558 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.811 -13.568 -4.903 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.031 -12.501 -4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.956 -11.827 -6.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.243 -13.864 -6.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.848 -14.075 -7.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.920 -14.728 -5.548 1.00 0.00 H new ATOM 541 N ILE A 92 1.380 -9.438 -1.603 1.00 0.00 N ATOM 542 CA ILE A 92 2.685 -9.554 -1.045 1.00 0.00 C ATOM 543 C ILE A 92 3.368 -8.234 -1.195 1.00 0.00 C ATOM 544 O ILE A 92 4.227 -8.000 -2.042 1.00 0.00 O ATOM 545 CB ILE A 92 3.445 -10.750 -1.552 1.00 0.00 C ATOM 546 CG1 ILE A 92 2.558 -12.024 -1.482 1.00 0.00 C ATOM 547 CG2 ILE A 92 4.799 -10.861 -0.822 1.00 0.00 C ATOM 548 CD1 ILE A 92 3.172 -13.226 -0.762 1.00 0.00 C ATOM 0 H ILE A 92 0.671 -9.302 -0.882 1.00 0.00 H new ATOM 0 HA ILE A 92 2.626 -9.773 0.021 1.00 0.00 H new ATOM 0 HB ILE A 92 3.689 -10.630 -2.608 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.623 -11.766 -0.985 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.306 -12.324 -2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.343 -11.729 -1.194 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.385 -9.960 -1.003 1.00 0.00 H new ATOM 0 HG23 ILE A 92 4.627 -10.973 0.249 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.466 -14.057 -0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.091 -13.523 -1.268 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.397 -12.956 0.270 1.00 0.00 H new ATOM 560 N LEU A 93 2.917 -7.346 -0.300 1.00 0.00 N ATOM 561 CA LEU A 93 3.375 -6.012 -0.045 1.00 0.00 C ATOM 562 C LEU A 93 2.398 -5.662 0.976 1.00 0.00 C ATOM 563 O LEU A 93 2.659 -4.967 1.945 1.00 0.00 O ATOM 564 CB LEU A 93 3.076 -5.062 -1.162 1.00 0.00 C ATOM 565 CG LEU A 93 2.730 -3.581 -0.835 1.00 0.00 C ATOM 566 CD1 LEU A 93 3.380 -2.623 -1.840 1.00 0.00 C ATOM 567 CD2 LEU A 93 1.229 -3.251 -0.705 1.00 0.00 C ATOM 0 H LEU A 93 2.142 -7.589 0.317 1.00 0.00 H new ATOM 0 HA LEU A 93 4.445 -5.962 0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.940 -5.057 -1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.241 -5.475 -1.728 1.00 0.00 H new ATOM 0 HG LEU A 93 3.147 -3.437 0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.119 -1.596 -1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.463 -2.741 -1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.020 -2.850 -2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.108 -2.192 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.724 -3.480 -1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.793 -3.848 0.097 1.00 0.00 H new ATOM 579 N ALA A 94 1.214 -6.221 0.724 1.00 0.00 N ATOM 580 CA ALA A 94 0.196 -6.529 1.661 1.00 0.00 C ATOM 581 C ALA A 94 0.762 -7.136 2.890 1.00 0.00 C ATOM 582 O ALA A 94 0.242 -6.916 3.977 1.00 0.00 O ATOM 583 CB ALA A 94 -0.590 -7.670 1.063 1.00 0.00 C ATOM 0 H ALA A 94 0.946 -6.481 -0.225 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.360 -5.618 1.881 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -1.393 -7.954 1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.015 -7.358 0.109 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.070 -8.523 0.905 1.00 0.00 H new ATOM 589 N ASP A 95 1.841 -7.928 2.726 1.00 0.00 N ATOM 590 CA ASP A 95 2.544 -8.516 3.804 1.00 0.00 C ATOM 591 C ASP A 95 3.068 -7.438 4.656 1.00 0.00 C ATOM 592 O ASP A 95 2.832 -7.427 5.855 1.00 0.00 O ATOM 593 CB ASP A 95 3.693 -9.437 3.348 1.00 0.00 C ATOM 594 CG ASP A 95 4.979 -8.811 2.798 1.00 0.00 C ATOM 595 OD1 ASP A 95 4.950 -8.233 1.685 1.00 0.00 O ATOM 596 OD2 ASP A 95 6.020 -8.930 3.500 1.00 0.00 O ATOM 0 H ASP A 95 2.228 -8.160 1.811 1.00 0.00 H new ATOM 0 HA ASP A 95 1.848 -9.150 4.354 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.969 -10.062 4.197 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.296 -10.101 2.580 1.00 0.00 H new ATOM 601 N MET A 96 3.763 -6.481 4.039 1.00 0.00 N ATOM 602 CA MET A 96 4.308 -5.390 4.805 1.00 0.00 C ATOM 603 C MET A 96 3.195 -4.548 5.363 1.00 0.00 C ATOM 604 O MET A 96 3.341 -3.963 6.430 1.00 0.00 O ATOM 605 CB MET A 96 5.376 -4.543 4.070 1.00 0.00 C ATOM 606 CG MET A 96 5.167 -3.024 3.970 1.00 0.00 C ATOM 607 SD MET A 96 4.273 -2.402 2.521 1.00 0.00 S ATOM 608 CE MET A 96 5.674 -2.582 1.380 1.00 0.00 C ATOM 0 H MET A 96 3.952 -6.449 3.037 1.00 0.00 H new ATOM 0 HA MET A 96 4.863 -5.842 5.627 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.332 -4.714 4.564 1.00 0.00 H new ATOM 0 HB3 MET A 96 5.467 -4.932 3.056 1.00 0.00 H new ATOM 0 HG2 MET A 96 4.632 -2.698 4.862 1.00 0.00 H new ATOM 0 HG3 MET A 96 6.147 -2.546 3.993 1.00 0.00 H new ATOM 0 HE1 MET A 96 5.431 -2.110 0.428 1.00 0.00 H new ATOM 0 HE2 MET A 96 6.555 -2.104 1.808 1.00 0.00 H new ATOM 0 HE3 MET A 96 5.878 -3.640 1.218 1.00 0.00 H new ATOM 618 N ALA A 97 2.039 -4.483 4.678 1.00 0.00 N ATOM 619 CA ALA A 97 0.976 -3.606 5.054 1.00 0.00 C ATOM 620 C ALA A 97 0.404 -3.968 6.391 1.00 0.00 C ATOM 621 O ALA A 97 -0.075 -3.090 7.105 1.00 0.00 O ATOM 622 CB ALA A 97 -0.157 -3.566 4.020 1.00 0.00 C ATOM 0 H ALA A 97 1.840 -5.047 3.852 1.00 0.00 H new ATOM 0 HA ALA A 97 1.425 -2.614 5.108 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.936 -2.883 4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.236 -3.221 3.063 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.577 -4.565 3.901 1.00 0.00 H new ATOM 628 N VAL A 98 0.469 -5.266 6.768 1.00 0.00 N ATOM 629 CA VAL A 98 -0.005 -5.700 8.052 1.00 0.00 C ATOM 630 C VAL A 98 1.187 -5.843 8.954 1.00 0.00 C ATOM 631 O VAL A 98 1.236 -5.269 10.040 1.00 0.00 O ATOM 632 CB VAL A 98 -0.720 -7.040 8.042 1.00 0.00 C ATOM 633 CG1 VAL A 98 -1.585 -7.133 9.313 1.00 0.00 C ATOM 634 CG2 VAL A 98 -1.555 -7.209 6.760 1.00 0.00 C ATOM 0 H VAL A 98 0.849 -6.011 6.184 1.00 0.00 H new ATOM 0 HA VAL A 98 -0.727 -4.954 8.384 1.00 0.00 H new ATOM 0 HB VAL A 98 0.004 -7.854 8.043 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.109 -8.089 9.327 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.947 -7.055 10.194 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.312 -6.321 9.319 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.057 -8.176 6.778 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.300 -6.415 6.703 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.901 -7.155 5.890 1.00 0.00 H new ATOM 644 N ARG A 99 2.164 -6.659 8.506 1.00 0.00 N ATOM 645 CA ARG A 99 3.173 -7.247 9.341 1.00 0.00 C ATOM 646 C ARG A 99 4.321 -6.314 9.607 1.00 0.00 C ATOM 647 O ARG A 99 4.943 -6.419 10.662 1.00 0.00 O ATOM 648 CB ARG A 99 3.805 -8.526 8.733 1.00 0.00 C ATOM 649 CG ARG A 99 2.899 -9.776 8.658 1.00 0.00 C ATOM 650 CD ARG A 99 2.148 -10.024 7.336 1.00 0.00 C ATOM 651 NE ARG A 99 1.811 -11.481 7.277 1.00 0.00 N ATOM 652 CZ ARG A 99 0.701 -12.009 7.874 1.00 0.00 C ATOM 653 NH1 ARG A 99 -0.226 -11.207 8.470 1.00 0.00 N ATOM 654 NH2 ARG A 99 0.514 -13.364 7.861 1.00 0.00 N ATOM 0 H ARG A 99 2.255 -6.919 7.524 1.00 0.00 H new ATOM 0 HA ARG A 99 2.634 -7.484 10.258 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.146 -8.291 7.725 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.689 -8.780 9.318 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.514 -10.652 8.866 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.161 -9.707 9.458 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.243 -9.419 7.290 1.00 0.00 H new ATOM 0 HD3 ARG A 99 2.766 -9.739 6.485 1.00 0.00 H new ATOM 0 HE ARG A 99 2.437 -12.107 6.769 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.097 -10.195 8.475 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -1.049 -11.619 8.911 1.00 0.00 H new ATOM 0 HH21 ARG A 99 1.199 -13.969 7.409 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -0.311 -13.769 8.303 1.00 0.00 H new ATOM 668 N ASP A 100 4.639 -5.392 8.666 1.00 0.00 N ATOM 669 CA ASP A 100 5.755 -4.488 8.788 1.00 0.00 C ATOM 670 C ASP A 100 5.270 -3.064 8.669 1.00 0.00 C ATOM 671 O ASP A 100 5.387 -2.481 7.597 1.00 0.00 O ATOM 672 CB ASP A 100 6.769 -4.714 7.653 1.00 0.00 C ATOM 673 CG ASP A 100 8.140 -4.135 7.990 1.00 0.00 C ATOM 674 OD1 ASP A 100 8.311 -3.564 9.098 1.00 0.00 O ATOM 675 OD2 ASP A 100 9.045 -4.266 7.122 1.00 0.00 O ATOM 0 H ASP A 100 4.109 -5.273 7.803 1.00 0.00 H new ATOM 0 HA ASP A 100 6.224 -4.670 9.755 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.864 -5.782 7.459 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.397 -4.255 6.737 1.00 0.00 H new ATOM 680 N PRO A 101 4.742 -2.445 9.693 1.00 0.00 N ATOM 681 CA PRO A 101 4.101 -1.161 9.579 1.00 0.00 C ATOM 682 C PRO A 101 5.134 -0.075 9.491 1.00 0.00 C ATOM 683 O PRO A 101 4.753 1.069 9.252 1.00 0.00 O ATOM 684 CB PRO A 101 3.252 -1.016 10.847 1.00 0.00 C ATOM 685 CG PRO A 101 3.785 -2.080 11.813 1.00 0.00 C ATOM 686 CD PRO A 101 4.355 -3.145 10.886 1.00 0.00 C ATOM 0 HA PRO A 101 3.488 -1.083 8.681 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.346 -0.016 11.272 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.195 -1.173 10.633 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.549 -1.674 12.476 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.993 -2.480 12.446 1.00 0.00 H new ATOM 0 HD2 PRO A 101 5.209 -3.646 11.342 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.613 -3.913 10.668 1.00 0.00 H new ATOM 694 N GLN A 102 6.430 -0.402 9.665 1.00 0.00 N ATOM 695 CA GLN A 102 7.484 0.541 9.456 1.00 0.00 C ATOM 696 C GLN A 102 7.552 0.786 7.984 1.00 0.00 C ATOM 697 O GLN A 102 7.437 1.926 7.541 1.00 0.00 O ATOM 698 CB GLN A 102 8.849 0.011 9.945 1.00 0.00 C ATOM 699 CG GLN A 102 10.050 0.919 9.625 1.00 0.00 C ATOM 700 CD GLN A 102 9.826 2.309 10.225 1.00 0.00 C ATOM 701 OE1 GLN A 102 9.629 2.461 11.435 1.00 0.00 O ATOM 702 NE2 GLN A 102 9.869 3.344 9.332 1.00 0.00 N ATOM 0 H GLN A 102 6.747 -1.328 9.953 1.00 0.00 H new ATOM 0 HA GLN A 102 7.276 1.449 10.022 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.800 -0.135 11.024 1.00 0.00 H new ATOM 0 HB3 GLN A 102 9.023 -0.968 9.498 1.00 0.00 H new ATOM 0 HG2 GLN A 102 10.964 0.483 10.027 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.182 0.996 8.546 1.00 0.00 H new ATOM 0 HE21 GLN A 102 10.036 3.158 8.343 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.735 4.302 9.655 1.00 0.00 H new ATOM 711 N ALA A 103 7.728 -0.296 7.199 1.00 0.00 N ATOM 712 CA ALA A 103 7.887 -0.191 5.781 1.00 0.00 C ATOM 713 C ALA A 103 6.584 0.203 5.159 1.00 0.00 C ATOM 714 O ALA A 103 6.581 0.950 4.184 1.00 0.00 O ATOM 715 CB ALA A 103 8.373 -1.503 5.156 1.00 0.00 C ATOM 0 H ALA A 103 7.760 -1.252 7.553 1.00 0.00 H new ATOM 0 HA ALA A 103 8.645 0.569 5.590 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.479 -1.375 4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.337 -1.776 5.586 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.649 -2.292 5.358 1.00 0.00 H new ATOM 721 N PHE A 104 5.449 -0.280 5.715 1.00 0.00 N ATOM 722 CA PHE A 104 4.151 0.161 5.252 1.00 0.00 C ATOM 723 C PHE A 104 4.006 1.649 5.247 1.00 0.00 C ATOM 724 O PHE A 104 3.597 2.209 4.234 1.00 0.00 O ATOM 725 CB PHE A 104 2.967 -0.366 6.081 1.00 0.00 C ATOM 726 CG PHE A 104 1.634 -0.054 5.453 1.00 0.00 C ATOM 727 CD1 PHE A 104 1.389 -0.139 4.088 1.00 0.00 C ATOM 728 CD2 PHE A 104 0.575 0.244 6.290 1.00 0.00 C ATOM 729 CE1 PHE A 104 0.126 0.086 3.579 1.00 0.00 C ATOM 730 CE2 PHE A 104 -0.691 0.464 5.785 1.00 0.00 C ATOM 731 CZ PHE A 104 -0.918 0.394 4.426 1.00 0.00 C ATOM 0 H PHE A 104 5.424 -0.964 6.472 1.00 0.00 H new ATOM 0 HA PHE A 104 4.115 -0.249 4.243 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.064 -1.445 6.201 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.005 0.070 7.079 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.198 -0.385 3.416 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.740 0.306 7.355 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -0.045 0.021 2.515 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.506 0.692 6.456 1.00 0.00 H new ATOM 0 HZ PHE A 104 -1.905 0.579 4.029 1.00 0.00 H new ATOM 741 N GLU A 105 4.332 2.328 6.364 1.00 0.00 N ATOM 742 CA GLU A 105 4.098 3.742 6.449 1.00 0.00 C ATOM 743 C GLU A 105 5.093 4.521 5.642 1.00 0.00 C ATOM 744 O GLU A 105 4.863 5.696 5.377 1.00 0.00 O ATOM 745 CB GLU A 105 4.150 4.287 7.890 1.00 0.00 C ATOM 746 CG GLU A 105 2.989 3.806 8.772 1.00 0.00 C ATOM 747 CD GLU A 105 1.667 4.264 8.169 1.00 0.00 C ATOM 748 OE1 GLU A 105 1.466 5.499 8.021 1.00 0.00 O ATOM 749 OE2 GLU A 105 0.841 3.370 7.848 1.00 0.00 O ATOM 0 H GLU A 105 4.750 1.909 7.195 1.00 0.00 H new ATOM 0 HA GLU A 105 3.091 3.873 6.054 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.092 3.987 8.349 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.143 5.377 7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 105 3.006 2.719 8.853 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.097 4.203 9.781 1.00 0.00 H new ATOM 756 N GLN A 106 6.206 3.895 5.210 1.00 0.00 N ATOM 757 CA GLN A 106 7.158 4.550 4.357 1.00 0.00 C ATOM 758 C GLN A 106 6.649 4.593 2.952 1.00 0.00 C ATOM 759 O GLN A 106 6.885 5.563 2.239 1.00 0.00 O ATOM 760 CB GLN A 106 8.496 3.803 4.265 1.00 0.00 C ATOM 761 CG GLN A 106 9.393 4.026 5.482 1.00 0.00 C ATOM 762 CD GLN A 106 10.680 3.237 5.258 1.00 0.00 C ATOM 763 OE1 GLN A 106 11.504 3.593 4.407 1.00 0.00 O ATOM 764 NE2 GLN A 106 10.841 2.136 6.051 1.00 0.00 N ATOM 0 H GLN A 106 6.448 2.934 5.451 1.00 0.00 H new ATOM 0 HA GLN A 106 7.300 5.538 4.796 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.303 2.736 4.155 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.024 4.126 3.368 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.611 5.087 5.608 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.893 3.693 6.392 1.00 0.00 H new ATOM 0 HE21 GLN A 106 10.126 1.892 6.736 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.676 1.558 5.958 1.00 0.00 H new ATOM 773 N VAL A 107 5.957 3.520 2.527 1.00 0.00 N ATOM 774 CA VAL A 107 5.499 3.365 1.169 1.00 0.00 C ATOM 775 C VAL A 107 4.290 4.228 0.988 1.00 0.00 C ATOM 776 O VAL A 107 4.076 4.801 -0.077 1.00 0.00 O ATOM 777 CB VAL A 107 5.165 1.917 0.851 1.00 0.00 C ATOM 778 CG1 VAL A 107 4.417 1.789 -0.492 1.00 0.00 C ATOM 779 CG2 VAL A 107 6.494 1.141 0.806 1.00 0.00 C ATOM 0 H VAL A 107 5.707 2.740 3.135 1.00 0.00 H new ATOM 0 HA VAL A 107 6.293 3.665 0.485 1.00 0.00 H new ATOM 0 HB VAL A 107 4.503 1.512 1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.195 0.740 -0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.486 2.354 -0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 107 5.041 2.182 -1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 107 6.296 0.093 0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 107 7.136 1.564 0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 107 6.992 1.215 1.773 1.00 0.00 H new ATOM 789 N VAL A 108 3.477 4.349 2.048 1.00 0.00 N ATOM 790 CA VAL A 108 2.287 5.149 2.029 1.00 0.00 C ATOM 791 C VAL A 108 2.682 6.593 2.022 1.00 0.00 C ATOM 792 O VAL A 108 2.081 7.396 1.311 1.00 0.00 O ATOM 793 CB VAL A 108 1.441 4.842 3.244 1.00 0.00 C ATOM 794 CG1 VAL A 108 0.409 5.946 3.517 1.00 0.00 C ATOM 795 CG2 VAL A 108 0.770 3.482 2.994 1.00 0.00 C ATOM 0 H VAL A 108 3.646 3.883 2.939 1.00 0.00 H new ATOM 0 HA VAL A 108 1.701 4.925 1.138 1.00 0.00 H new ATOM 0 HB VAL A 108 2.063 4.800 4.138 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.178 5.686 4.398 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.924 6.891 3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.253 6.046 2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.147 3.221 3.850 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.151 3.541 2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.536 2.719 2.856 1.00 0.00 H new ATOM 805 N ASN A 109 3.723 6.947 2.801 1.00 0.00 N ATOM 806 CA ASN A 109 4.207 8.300 2.884 1.00 0.00 C ATOM 807 C ASN A 109 4.776 8.695 1.557 1.00 0.00 C ATOM 808 O ASN A 109 4.699 9.862 1.170 1.00 0.00 O ATOM 809 CB ASN A 109 5.316 8.461 3.943 1.00 0.00 C ATOM 810 CG ASN A 109 5.805 9.910 4.002 1.00 0.00 C ATOM 811 OD1 ASN A 109 5.054 10.825 4.355 1.00 0.00 O ATOM 812 ND2 ASN A 109 7.114 10.097 3.653 1.00 0.00 N ATOM 0 H ASN A 109 4.239 6.287 3.383 1.00 0.00 H new ATOM 0 HA ASN A 109 3.365 8.931 3.168 1.00 0.00 H new ATOM 0 HB2 ASN A 109 4.938 8.160 4.920 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.150 7.800 3.706 1.00 0.00 H new ATOM 0 HD21 ASN A 109 7.519 11.033 3.676 1.00 0.00 H new ATOM 0 HD22 ASN A 109 7.685 9.301 3.370 1.00 0.00 H new ATOM 819 N LYS A 110 5.347 7.714 0.828 1.00 0.00 N ATOM 820 CA LYS A 110 5.893 7.953 -0.469 1.00 0.00 C ATOM 821 C LYS A 110 4.781 8.349 -1.383 1.00 0.00 C ATOM 822 O LYS A 110 4.850 9.433 -1.934 1.00 0.00 O ATOM 823 CB LYS A 110 6.646 6.751 -1.072 1.00 0.00 C ATOM 824 CG LYS A 110 7.372 7.095 -2.381 1.00 0.00 C ATOM 825 CD LYS A 110 8.213 5.931 -2.918 1.00 0.00 C ATOM 826 CE LYS A 110 8.995 6.287 -4.186 1.00 0.00 C ATOM 827 NZ LYS A 110 9.996 7.340 -3.906 1.00 0.00 N ATOM 0 H LYS A 110 5.429 6.748 1.144 1.00 0.00 H new ATOM 0 HA LYS A 110 6.634 8.745 -0.359 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.371 6.382 -0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.940 5.942 -1.256 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.638 7.384 -3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 110 8.017 7.958 -2.217 1.00 0.00 H new ATOM 0 HD2 LYS A 110 8.912 5.610 -2.146 1.00 0.00 H new ATOM 0 HD3 LYS A 110 7.559 5.085 -3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.494 5.398 -4.573 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.307 6.629 -4.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 10.657 7.412 -4.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 9.513 8.251 -3.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 10.523 7.098 -3.043 1.00 0.00 H new ATOM 841 N VAL A 111 3.735 7.505 -1.527 1.00 0.00 N ATOM 842 CA VAL A 111 2.615 7.606 -2.446 1.00 0.00 C ATOM 843 C VAL A 111 1.595 8.565 -1.937 1.00 0.00 C ATOM 844 O VAL A 111 0.567 8.785 -2.562 1.00 0.00 O ATOM 845 CB VAL A 111 2.047 6.192 -2.605 1.00 0.00 C ATOM 846 CG1 VAL A 111 0.750 6.100 -3.430 1.00 0.00 C ATOM 847 CG2 VAL A 111 3.130 5.338 -3.287 1.00 0.00 C ATOM 0 H VAL A 111 3.661 6.670 -0.947 1.00 0.00 H new ATOM 0 HA VAL A 111 2.931 7.994 -3.414 1.00 0.00 H new ATOM 0 HB VAL A 111 1.782 5.841 -1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.427 5.060 -3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.028 6.696 -2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.931 6.478 -4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.762 4.320 -3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.371 5.765 -4.261 1.00 0.00 H new ATOM 0 HG23 VAL A 111 4.026 5.323 -2.666 1.00 0.00 H new ATOM 857 N LYS A 112 1.868 9.248 -0.829 1.00 0.00 N ATOM 858 CA LYS A 112 1.074 10.389 -0.526 1.00 0.00 C ATOM 859 C LYS A 112 1.536 11.514 -1.388 1.00 0.00 C ATOM 860 O LYS A 112 0.744 12.086 -2.135 1.00 0.00 O ATOM 861 CB LYS A 112 1.171 10.691 0.985 1.00 0.00 C ATOM 862 CG LYS A 112 0.498 11.975 1.475 1.00 0.00 C ATOM 863 CD LYS A 112 1.506 13.010 1.997 1.00 0.00 C ATOM 864 CE LYS A 112 2.197 12.612 3.303 1.00 0.00 C ATOM 865 NZ LYS A 112 3.137 13.677 3.716 1.00 0.00 N ATOM 0 H LYS A 112 2.607 9.028 -0.162 1.00 0.00 H new ATOM 0 HA LYS A 112 0.018 10.221 -0.739 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.737 9.851 1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 112 2.226 10.735 1.256 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.077 12.413 0.659 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -0.209 11.730 2.268 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.266 13.177 1.234 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.991 13.959 2.147 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.454 12.447 4.083 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.733 11.672 3.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.604 13.403 4.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 3.854 13.814 2.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.614 14.565 3.860 1.00 0.00 H new ATOM 879 N GLU A 113 2.829 11.848 -1.343 1.00 0.00 N ATOM 880 CA GLU A 113 3.309 12.952 -2.113 1.00 0.00 C ATOM 881 C GLU A 113 3.493 12.524 -3.532 1.00 0.00 C ATOM 882 O GLU A 113 3.177 13.235 -4.478 1.00 0.00 O ATOM 883 CB GLU A 113 4.689 13.375 -1.618 1.00 0.00 C ATOM 884 CG GLU A 113 5.150 14.691 -2.241 1.00 0.00 C ATOM 885 CD GLU A 113 6.492 15.067 -1.636 1.00 0.00 C ATOM 886 OE1 GLU A 113 6.545 15.276 -0.395 1.00 0.00 O ATOM 887 OE2 GLU A 113 7.483 15.153 -2.408 1.00 0.00 O ATOM 0 H GLU A 113 3.535 11.367 -0.786 1.00 0.00 H new ATOM 0 HA GLU A 113 2.589 13.766 -2.023 1.00 0.00 H new ATOM 0 HB2 GLU A 113 4.668 13.477 -0.533 1.00 0.00 H new ATOM 0 HB3 GLU A 113 5.412 12.593 -1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 113 5.238 14.588 -3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 113 4.417 15.476 -2.054 1.00 0.00 H new ATOM 894 N ALA A 114 4.037 11.319 -3.702 1.00 0.00 N ATOM 895 CA ALA A 114 4.357 10.775 -4.993 1.00 0.00 C ATOM 896 C ALA A 114 3.121 10.437 -5.751 1.00 0.00 C ATOM 897 O ALA A 114 3.207 10.291 -6.968 1.00 0.00 O ATOM 898 CB ALA A 114 5.213 9.496 -4.971 1.00 0.00 C ATOM 0 H ALA A 114 4.265 10.696 -2.927 1.00 0.00 H new ATOM 0 HA ALA A 114 4.937 11.568 -5.464 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.399 9.165 -5.993 1.00 0.00 H new ATOM 0 HB2 ALA A 114 6.163 9.702 -4.477 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.684 8.713 -4.427 1.00 0.00 H new ATOM 904 N LEU A 115 1.943 10.327 -5.089 1.00 0.00 N ATOM 905 CA LEU A 115 0.743 10.265 -5.879 1.00 0.00 C ATOM 906 C LEU A 115 0.529 11.622 -6.444 1.00 0.00 C ATOM 907 O LEU A 115 0.735 11.863 -7.634 1.00 0.00 O ATOM 908 CB LEU A 115 -0.500 9.846 -5.079 1.00 0.00 C ATOM 909 CG LEU A 115 -1.812 9.905 -5.880 1.00 0.00 C ATOM 910 CD1 LEU A 115 -1.912 8.861 -7.001 1.00 0.00 C ATOM 911 CD2 LEU A 115 -3.038 9.825 -4.956 1.00 0.00 C ATOM 0 H LEU A 115 1.823 10.284 -4.077 1.00 0.00 H new ATOM 0 HA LEU A 115 0.875 9.503 -6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.357 8.830 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -0.591 10.491 -4.205 1.00 0.00 H new ATOM 0 HG LEU A 115 -1.800 10.877 -6.374 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.866 8.971 -7.516 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.098 9.009 -7.710 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.843 7.861 -6.574 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -3.948 9.869 -5.554 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -3.014 8.888 -4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.022 10.661 -4.257 1.00 0.00 H new