USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 765 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 80 HIS : no HD1:sc= 0.786 K(o=-0.9,f=-9!) USER MOD Set 1.2: A 82 GLN : amide:sc= -1.69 K(o=-0.9,f=-6.9!) USER MOD Set 2.1: A 62 GLN : amide:sc= -0.238 K(o=1,f=-0.78) USER MOD Set 2.2: A 90 GLN : amide:sc= 1.25 K(o=1,f=-0.71) USER MOD Single : A 6 SER OG : rot 180:sc= 0.442 USER MOD Single : A 9 THR OG1 : rot 29:sc= 0.118 USER MOD Single : A 11 ASN : amide:sc= -0.767 K(o=-0.77,f=-1.7) USER MOD Single : A 20 TYR OH : rot 165:sc= -0.758 USER MOD Single : A 22 GLN :FLIP amide:sc= -0.23 F(o=-1.5,f=-0.23) USER MOD Single : A 24 LYS NZ :NH3+ -114:sc= -0.217 (180deg=-2.07) USER MOD Single : A 26 SER OG : rot -25:sc= 0.146 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.651 K(o=-0.65,f=-10!) USER MOD Single : A 39 LYS NZ :NH3+ -160:sc= -1.59 (180deg=-2.65!) USER MOD Single : A 43 THR OG1 : rot -55:sc= 1.11 USER MOD Single : A 50 GLN : amide:sc=-0.00353 X(o=-0.0035,f=-0.1) USER MOD Single : A 52 ASN : amide:sc= -1.95 K(o=-2,f=-4.1!) USER MOD Single : A 53 SER OG : rot 97:sc= 1.2 USER MOD Single : A 54 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.51) USER MOD Single : A 57 LYS NZ :NH3+ 127:sc= -0.101 (180deg=-0.873) USER MOD Single : A 61 LYS NZ :NH3+ 165:sc=-0.00062 (180deg=-0.235) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.813 K(o=-0.81,f=-3.8!) USER MOD Single : A 74 LYS NZ :NH3+ 163:sc= -0.072 (180deg=-0.596) USER MOD Single : A 81 LYS NZ :NH3+ 174:sc= -3.35! (180deg=-3.44!) USER MOD Single : A 84 LYS NZ :NH3+ 155:sc= -5.41! (180deg=-6.54!) USER MOD Single : A 87 ASN : amide:sc= -0.0729 K(o=-0.073,f=-2.9!) USER MOD Single : A 89 GLN : amide:sc= 0.0713 X(o=0.071,f=-0.034) USER MOD Single : A 100 ASN : amide:sc= -0.248 X(o=-0.25,f=-0.041) USER MOD ----------------------------------------------------------------- ATOM 69 N SER A 6 12.589 0.997 7.533 1.00 0.00 N ATOM 70 CA SER A 6 11.968 1.510 6.345 1.00 0.00 C ATOM 71 C SER A 6 10.529 1.028 6.255 1.00 0.00 C ATOM 72 O SER A 6 9.979 0.486 7.212 1.00 0.00 O ATOM 73 CB SER A 6 12.753 1.067 5.106 1.00 0.00 C ATOM 74 OG SER A 6 12.218 1.706 3.954 1.00 0.00 O ATOM 0 HA SER A 6 11.970 2.599 6.390 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.807 1.321 5.220 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.696 -0.016 4.994 1.00 0.00 H new ATOM 0 HG SER A 6 12.720 1.425 3.161 1.00 0.00 H new ATOM 80 N ALA A 7 9.942 1.248 5.094 1.00 0.00 N ATOM 81 CA ALA A 7 8.560 0.864 4.814 1.00 0.00 C ATOM 82 C ALA A 7 7.980 1.787 3.756 1.00 0.00 C ATOM 83 O ALA A 7 6.961 1.482 3.138 1.00 0.00 O ATOM 84 CB ALA A 7 7.695 0.955 6.073 1.00 0.00 C ATOM 0 H ALA A 7 10.409 1.701 4.309 1.00 0.00 H new ATOM 0 HA ALA A 7 8.562 -0.167 4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.672 0.663 5.834 1.00 0.00 H new ATOM 0 HB2 ALA A 7 8.093 0.287 6.837 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.702 1.979 6.446 1.00 0.00 H new ATOM 90 N VAL A 8 8.637 2.927 3.561 1.00 0.00 N ATOM 91 CA VAL A 8 8.181 3.896 2.580 1.00 0.00 C ATOM 92 C VAL A 8 9.313 4.846 2.197 1.00 0.00 C ATOM 93 O VAL A 8 10.278 5.016 2.945 1.00 0.00 O ATOM 94 CB VAL A 8 6.979 4.683 3.139 1.00 0.00 C ATOM 95 CG1 VAL A 8 7.181 4.946 4.634 1.00 0.00 C ATOM 96 CG2 VAL A 8 6.829 6.027 2.410 1.00 0.00 C ATOM 0 H VAL A 8 9.480 3.198 4.067 1.00 0.00 H new ATOM 0 HA VAL A 8 7.866 3.365 1.682 1.00 0.00 H new ATOM 0 HB VAL A 8 6.078 4.089 2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.329 5.502 5.024 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.267 3.996 5.162 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.092 5.527 4.782 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.976 6.569 2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.734 6.619 2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.671 5.848 1.346 1.00 0.00 H new ATOM 106 N THR A 9 9.184 5.455 1.023 1.00 0.00 N ATOM 107 CA THR A 9 10.194 6.382 0.528 1.00 0.00 C ATOM 108 C THR A 9 9.537 7.476 -0.313 1.00 0.00 C ATOM 109 O THR A 9 8.686 7.194 -1.156 1.00 0.00 O ATOM 110 CB THR A 9 11.226 5.607 -0.303 1.00 0.00 C ATOM 111 OG1 THR A 9 12.265 5.151 0.551 1.00 0.00 O ATOM 112 CG2 THR A 9 11.820 6.507 -1.391 1.00 0.00 C ATOM 0 H THR A 9 8.390 5.323 0.397 1.00 0.00 H new ATOM 0 HA THR A 9 10.698 6.858 1.369 1.00 0.00 H new ATOM 0 HB THR A 9 10.734 4.759 -0.779 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.909 5.010 1.453 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.550 5.943 -1.971 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.024 6.856 -2.049 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.309 7.364 -0.928 1.00 0.00 H new ATOM 120 N VAL A 10 9.939 8.722 -0.069 1.00 0.00 N ATOM 121 CA VAL A 10 9.391 9.857 -0.797 1.00 0.00 C ATOM 122 C VAL A 10 10.372 10.332 -1.861 1.00 0.00 C ATOM 123 O VAL A 10 11.373 10.985 -1.561 1.00 0.00 O ATOM 124 CB VAL A 10 9.061 11.004 0.170 1.00 0.00 C ATOM 125 CG1 VAL A 10 8.030 10.525 1.194 1.00 0.00 C ATOM 126 CG2 VAL A 10 10.331 11.463 0.901 1.00 0.00 C ATOM 0 H VAL A 10 10.642 8.968 0.628 1.00 0.00 H new ATOM 0 HA VAL A 10 8.472 9.539 -1.289 1.00 0.00 H new ATOM 0 HB VAL A 10 8.656 11.842 -0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.795 11.338 1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.122 10.212 0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.437 9.683 1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.084 12.276 1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.747 10.629 1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.064 11.810 0.173 1.00 0.00 H new ATOM 136 N ASN A 11 10.071 9.992 -3.102 1.00 0.00 N ATOM 137 CA ASN A 11 10.915 10.377 -4.228 1.00 0.00 C ATOM 138 C ASN A 11 10.512 11.759 -4.740 1.00 0.00 C ATOM 139 O ASN A 11 10.015 12.593 -3.978 1.00 0.00 O ATOM 140 CB ASN A 11 10.775 9.348 -5.358 1.00 0.00 C ATOM 141 CG ASN A 11 10.892 7.933 -4.803 1.00 0.00 C ATOM 142 OD1 ASN A 11 11.900 7.589 -4.184 1.00 0.00 O ATOM 143 ND2 ASN A 11 9.917 7.086 -4.992 1.00 0.00 N ATOM 0 H ASN A 11 9.247 9.449 -3.360 1.00 0.00 H new ATOM 0 HA ASN A 11 11.952 10.410 -3.895 1.00 0.00 H new ATOM 0 HB2 ASN A 11 9.813 9.472 -5.855 1.00 0.00 H new ATOM 0 HB3 ASN A 11 11.546 9.516 -6.110 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.988 6.136 -4.627 1.00 0.00 H new ATOM 0 HD22 ASN A 11 9.084 7.374 -5.505 1.00 0.00 H new ATOM 150 N ASP A 12 10.706 11.985 -6.036 1.00 0.00 N ATOM 151 CA ASP A 12 10.339 13.255 -6.655 1.00 0.00 C ATOM 152 C ASP A 12 9.102 13.043 -7.512 1.00 0.00 C ATOM 153 O ASP A 12 8.628 13.956 -8.188 1.00 0.00 O ATOM 154 CB ASP A 12 11.488 13.777 -7.525 1.00 0.00 C ATOM 155 CG ASP A 12 12.577 14.382 -6.644 1.00 0.00 C ATOM 156 OD1 ASP A 12 12.416 15.520 -6.232 1.00 0.00 O ATOM 157 OD2 ASP A 12 13.555 13.699 -6.393 1.00 0.00 O ATOM 0 H ASP A 12 11.115 11.306 -6.678 1.00 0.00 H new ATOM 0 HA ASP A 12 10.133 13.990 -5.877 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.902 12.964 -8.122 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.115 14.527 -8.223 1.00 0.00 H new ATOM 162 N ASP A 13 8.600 11.813 -7.475 1.00 0.00 N ATOM 163 CA ASP A 13 7.427 11.438 -8.245 1.00 0.00 C ATOM 164 C ASP A 13 6.230 11.218 -7.321 1.00 0.00 C ATOM 165 O ASP A 13 5.078 11.301 -7.749 1.00 0.00 O ATOM 166 CB ASP A 13 7.737 10.155 -9.017 1.00 0.00 C ATOM 167 CG ASP A 13 6.562 9.769 -9.913 1.00 0.00 C ATOM 168 OD1 ASP A 13 5.977 10.657 -10.514 1.00 0.00 O ATOM 169 OD2 ASP A 13 6.268 8.588 -9.992 1.00 0.00 O ATOM 0 H ASP A 13 8.993 11.057 -6.915 1.00 0.00 H new ATOM 0 HA ASP A 13 7.176 12.239 -8.941 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.632 10.296 -9.623 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.949 9.346 -8.318 1.00 0.00 H new ATOM 174 N GLY A 14 6.515 10.943 -6.050 1.00 0.00 N ATOM 175 CA GLY A 14 5.460 10.719 -5.069 1.00 0.00 C ATOM 176 C GLY A 14 5.998 9.971 -3.854 1.00 0.00 C ATOM 177 O GLY A 14 6.929 10.433 -3.192 1.00 0.00 O ATOM 0 H GLY A 14 7.462 10.871 -5.679 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.040 11.675 -4.756 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.650 10.148 -5.523 1.00 0.00 H new ATOM 181 N LEU A 15 5.401 8.817 -3.567 1.00 0.00 N ATOM 182 CA LEU A 15 5.822 8.011 -2.424 1.00 0.00 C ATOM 183 C LEU A 15 5.646 6.522 -2.703 1.00 0.00 C ATOM 184 O LEU A 15 4.718 6.114 -3.403 1.00 0.00 O ATOM 185 CB LEU A 15 5.004 8.390 -1.185 1.00 0.00 C ATOM 186 CG LEU A 15 3.532 8.591 -1.568 1.00 0.00 C ATOM 187 CD1 LEU A 15 2.651 7.686 -0.703 1.00 0.00 C ATOM 188 CD2 LEU A 15 3.141 10.055 -1.342 1.00 0.00 C ATOM 0 H LEU A 15 4.630 8.421 -4.105 1.00 0.00 H new ATOM 0 HA LEU A 15 6.879 8.211 -2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.088 7.608 -0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.401 9.304 -0.743 1.00 0.00 H new ATOM 0 HG LEU A 15 3.391 8.336 -2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.605 7.829 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.929 6.645 -0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.790 7.939 0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.095 10.198 -1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.281 10.311 -0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.768 10.698 -1.959 1.00 0.00 H new ATOM 200 N VAL A 16 6.538 5.720 -2.129 1.00 0.00 N ATOM 201 CA VAL A 16 6.486 4.272 -2.292 1.00 0.00 C ATOM 202 C VAL A 16 5.932 3.636 -1.020 1.00 0.00 C ATOM 203 O VAL A 16 6.300 4.031 0.085 1.00 0.00 O ATOM 204 CB VAL A 16 7.891 3.726 -2.582 1.00 0.00 C ATOM 205 CG1 VAL A 16 7.879 2.194 -2.534 1.00 0.00 C ATOM 206 CG2 VAL A 16 8.338 4.184 -3.974 1.00 0.00 C ATOM 0 H VAL A 16 7.307 6.050 -1.546 1.00 0.00 H new ATOM 0 HA VAL A 16 5.834 4.027 -3.131 1.00 0.00 H new ATOM 0 HB VAL A 16 8.582 4.104 -1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.880 1.816 -2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.564 1.863 -1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.185 1.812 -3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.336 3.797 -4.181 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.640 3.808 -4.722 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.357 5.273 -4.010 1.00 0.00 H new ATOM 216 N LEU A 17 5.046 2.657 -1.177 1.00 0.00 N ATOM 217 CA LEU A 17 4.452 1.990 -0.024 1.00 0.00 C ATOM 218 C LEU A 17 4.931 0.545 0.063 1.00 0.00 C ATOM 219 O LEU A 17 4.414 -0.337 -0.627 1.00 0.00 O ATOM 220 CB LEU A 17 2.920 2.031 -0.124 1.00 0.00 C ATOM 221 CG LEU A 17 2.346 2.906 0.998 1.00 0.00 C ATOM 222 CD1 LEU A 17 2.692 2.296 2.361 1.00 0.00 C ATOM 223 CD2 LEU A 17 2.932 4.321 0.904 1.00 0.00 C ATOM 0 H LEU A 17 4.726 2.311 -2.082 1.00 0.00 H new ATOM 0 HA LEU A 17 4.764 2.514 0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.621 2.427 -1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.515 1.021 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 17 1.262 2.957 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.282 2.921 3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.265 1.295 2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.775 2.237 2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.521 4.939 1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.016 4.273 1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.675 4.758 -0.061 1.00 0.00 H new ATOM 235 N ARG A 18 5.920 0.316 0.922 1.00 0.00 N ATOM 236 CA ARG A 18 6.476 -1.018 1.112 1.00 0.00 C ATOM 237 C ARG A 18 5.840 -1.674 2.329 1.00 0.00 C ATOM 238 O ARG A 18 6.018 -1.209 3.456 1.00 0.00 O ATOM 239 CB ARG A 18 7.993 -0.916 1.305 1.00 0.00 C ATOM 240 CG ARG A 18 8.705 -1.123 -0.035 1.00 0.00 C ATOM 241 CD ARG A 18 10.142 -0.606 0.070 1.00 0.00 C ATOM 242 NE ARG A 18 10.746 -0.506 -1.255 1.00 0.00 N ATOM 243 CZ ARG A 18 11.929 0.072 -1.426 1.00 0.00 C ATOM 244 NH1 ARG A 18 13.023 -0.618 -1.254 1.00 0.00 N ATOM 245 NH2 ARG A 18 11.997 1.331 -1.763 1.00 0.00 N ATOM 0 H ARG A 18 6.353 1.038 1.498 1.00 0.00 H new ATOM 0 HA ARG A 18 6.265 -1.627 0.233 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.251 0.060 1.717 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.328 -1.664 2.024 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.705 -2.180 -0.300 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.174 -0.596 -0.827 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.149 0.370 0.554 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.731 -1.276 0.695 1.00 0.00 H new ATOM 0 HE ARG A 18 10.252 -0.886 -2.062 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.969 -1.601 -0.988 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.932 -0.174 -1.385 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.142 1.871 -1.895 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.906 1.775 -1.894 1.00 0.00 H new ATOM 259 N LEU A 19 5.093 -2.750 2.101 1.00 0.00 N ATOM 260 CA LEU A 19 4.435 -3.442 3.203 1.00 0.00 C ATOM 261 C LEU A 19 4.342 -4.942 2.950 1.00 0.00 C ATOM 262 O LEU A 19 4.780 -5.444 1.915 1.00 0.00 O ATOM 263 CB LEU A 19 3.028 -2.859 3.433 1.00 0.00 C ATOM 264 CG LEU A 19 2.107 -3.148 2.236 1.00 0.00 C ATOM 265 CD1 LEU A 19 1.477 -4.539 2.382 1.00 0.00 C ATOM 266 CD2 LEU A 19 0.991 -2.096 2.182 1.00 0.00 C ATOM 0 H LEU A 19 4.930 -3.156 1.180 1.00 0.00 H new ATOM 0 HA LEU A 19 5.040 -3.290 4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.597 -3.286 4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.098 -1.783 3.590 1.00 0.00 H new ATOM 0 HG LEU A 19 2.696 -3.112 1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.826 -4.735 1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.264 -5.293 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.893 -4.579 3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.338 -2.301 1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.410 -2.134 3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.430 -1.105 2.070 1.00 0.00 H new ATOM 278 N TYR A 20 3.758 -5.641 3.915 1.00 0.00 N ATOM 279 CA TYR A 20 3.578 -7.080 3.831 1.00 0.00 C ATOM 280 C TYR A 20 2.089 -7.388 3.746 1.00 0.00 C ATOM 281 O TYR A 20 1.395 -7.445 4.764 1.00 0.00 O ATOM 282 CB TYR A 20 4.193 -7.758 5.062 1.00 0.00 C ATOM 283 CG TYR A 20 4.887 -9.036 4.650 1.00 0.00 C ATOM 284 CD1 TYR A 20 5.969 -8.992 3.762 1.00 0.00 C ATOM 285 CD2 TYR A 20 4.450 -10.266 5.156 1.00 0.00 C ATOM 286 CE1 TYR A 20 6.614 -10.174 3.384 1.00 0.00 C ATOM 287 CE2 TYR A 20 5.094 -11.448 4.778 1.00 0.00 C ATOM 288 CZ TYR A 20 6.176 -11.402 3.891 1.00 0.00 C ATOM 289 OH TYR A 20 6.813 -12.567 3.518 1.00 0.00 O ATOM 0 H TYR A 20 3.398 -5.226 4.774 1.00 0.00 H new ATOM 0 HA TYR A 20 4.079 -7.463 2.942 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.904 -7.086 5.541 1.00 0.00 H new ATOM 0 HB3 TYR A 20 3.416 -7.975 5.795 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.306 -8.044 3.369 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.614 -10.302 5.839 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.450 -10.139 2.701 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.757 -12.396 5.170 1.00 0.00 H new ATOM 0 HH TYR A 20 6.555 -13.290 4.127 1.00 0.00 H new ATOM 299 N ILE A 21 1.599 -7.561 2.523 1.00 0.00 N ATOM 300 CA ILE A 21 0.185 -7.836 2.311 1.00 0.00 C ATOM 301 C ILE A 21 -0.134 -9.280 2.683 1.00 0.00 C ATOM 302 O ILE A 21 0.560 -10.212 2.272 1.00 0.00 O ATOM 303 CB ILE A 21 -0.191 -7.533 0.846 1.00 0.00 C ATOM 304 CG1 ILE A 21 -1.612 -6.950 0.787 1.00 0.00 C ATOM 305 CG2 ILE A 21 -0.130 -8.798 -0.013 1.00 0.00 C ATOM 306 CD1 ILE A 21 -1.566 -5.437 1.003 1.00 0.00 C ATOM 0 H ILE A 21 2.156 -7.516 1.670 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.411 -7.190 2.955 1.00 0.00 H new ATOM 0 HB ILE A 21 0.527 -6.812 0.454 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.066 -7.174 -0.178 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.237 -7.416 1.549 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.400 -8.554 -1.040 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.881 -9.205 0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.828 -9.538 0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.577 -5.032 0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.131 -5.222 1.979 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.957 -4.977 0.225 1.00 0.00 H new ATOM 318 N GLN A 22 -1.183 -9.447 3.483 1.00 0.00 N ATOM 319 CA GLN A 22 -1.602 -10.768 3.935 1.00 0.00 C ATOM 320 C GLN A 22 -3.035 -11.035 3.481 1.00 0.00 C ATOM 321 O GLN A 22 -3.995 -10.676 4.164 1.00 0.00 O ATOM 322 CB GLN A 22 -1.504 -10.839 5.467 1.00 0.00 C ATOM 323 CG GLN A 22 -0.643 -12.036 5.887 1.00 0.00 C ATOM 324 CD GLN A 22 0.712 -11.991 5.183 1.00 0.00 C ATOM 325 OE1 GLN A 22 1.229 -13.094 4.715 1.00 0.00 O flip ATOM 326 NE2 GLN A 22 1.315 -10.924 5.057 1.00 0.00 N flip ATOM 0 H GLN A 22 -1.759 -8.681 3.832 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.951 -11.528 3.503 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -1.071 -9.917 5.854 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.501 -10.929 5.899 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.499 -12.027 6.967 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.157 -12.965 5.642 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.910 -10.063 5.423 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.220 -10.902 4.586 1.00 0.00 H new ATOM 335 N PRO A 23 -3.196 -11.637 2.333 1.00 0.00 N ATOM 336 CA PRO A 23 -4.538 -11.932 1.769 1.00 0.00 C ATOM 337 C PRO A 23 -5.250 -13.044 2.525 1.00 0.00 C ATOM 338 O PRO A 23 -4.634 -13.772 3.301 1.00 0.00 O ATOM 339 CB PRO A 23 -4.271 -12.344 0.313 1.00 0.00 C ATOM 340 CG PRO A 23 -2.789 -12.267 0.093 1.00 0.00 C ATOM 341 CD PRO A 23 -2.120 -12.106 1.456 1.00 0.00 C ATOM 0 HA PRO A 23 -5.197 -11.067 1.846 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.635 -13.354 0.126 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.797 -11.683 -0.376 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.430 -13.168 -0.404 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -2.543 -11.426 -0.555 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.702 -13.049 1.808 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.300 -11.390 1.415 1.00 0.00 H new ATOM 349 N LYS A 24 -6.555 -13.155 2.281 1.00 0.00 N ATOM 350 CA LYS A 24 -7.388 -14.174 2.918 1.00 0.00 C ATOM 351 C LYS A 24 -7.728 -13.799 4.358 1.00 0.00 C ATOM 352 O LYS A 24 -7.811 -14.667 5.228 1.00 0.00 O ATOM 353 CB LYS A 24 -6.701 -15.548 2.888 1.00 0.00 C ATOM 354 CG LYS A 24 -6.363 -15.929 1.443 1.00 0.00 C ATOM 355 CD LYS A 24 -5.405 -17.124 1.439 1.00 0.00 C ATOM 356 CE LYS A 24 -3.961 -16.625 1.330 1.00 0.00 C ATOM 357 NZ LYS A 24 -3.749 -16.004 -0.008 1.00 0.00 N ATOM 0 H LYS A 24 -7.062 -12.545 1.640 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.315 -14.230 2.348 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.792 -15.523 3.489 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.354 -16.301 3.329 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.274 -16.178 0.899 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.907 -15.082 0.930 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.531 -17.707 2.351 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.636 -17.785 0.604 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.756 -15.899 2.116 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.267 -17.453 1.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.071 -16.575 -0.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.654 -15.961 -0.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.373 -15.042 0.112 1.00 0.00 H new ATOM 371 N ALA A 25 -7.957 -12.508 4.605 1.00 0.00 N ATOM 372 CA ALA A 25 -8.320 -12.052 5.921 1.00 0.00 C ATOM 373 C ALA A 25 -9.813 -11.793 5.936 1.00 0.00 C ATOM 374 O ALA A 25 -10.450 -11.750 4.881 1.00 0.00 O ATOM 375 CB ALA A 25 -7.560 -10.770 6.248 1.00 0.00 C ATOM 0 H ALA A 25 -7.894 -11.771 3.903 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.066 -12.804 6.668 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.837 -10.427 7.245 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.488 -10.964 6.216 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.812 -10.001 5.517 1.00 0.00 H new ATOM 381 N SER A 26 -10.371 -11.616 7.113 1.00 0.00 N ATOM 382 CA SER A 26 -11.798 -11.355 7.209 1.00 0.00 C ATOM 383 C SER A 26 -12.085 -9.920 6.794 1.00 0.00 C ATOM 384 O SER A 26 -13.242 -9.534 6.619 1.00 0.00 O ATOM 385 CB SER A 26 -12.285 -11.592 8.640 1.00 0.00 C ATOM 386 OG SER A 26 -13.707 -11.546 8.664 1.00 0.00 O ATOM 0 H SER A 26 -9.874 -11.646 8.003 1.00 0.00 H new ATOM 0 HA SER A 26 -12.328 -12.035 6.543 1.00 0.00 H new ATOM 0 HB2 SER A 26 -11.934 -12.559 9.001 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.873 -10.835 9.307 1.00 0.00 H new ATOM 0 HG SER A 26 -14.030 -11.006 7.912 1.00 0.00 H new ATOM 392 N ARG A 27 -11.019 -9.131 6.640 1.00 0.00 N ATOM 393 CA ARG A 27 -11.166 -7.728 6.249 1.00 0.00 C ATOM 394 C ARG A 27 -9.797 -7.074 6.061 1.00 0.00 C ATOM 395 O ARG A 27 -8.791 -7.585 6.552 1.00 0.00 O ATOM 396 CB ARG A 27 -11.956 -6.972 7.328 1.00 0.00 C ATOM 397 CG ARG A 27 -12.180 -5.518 6.896 1.00 0.00 C ATOM 398 CD ARG A 27 -13.417 -4.952 7.599 1.00 0.00 C ATOM 399 NE ARG A 27 -13.378 -5.253 9.029 1.00 0.00 N ATOM 400 CZ ARG A 27 -14.233 -4.685 9.878 1.00 0.00 C ATOM 401 NH1 ARG A 27 -14.753 -3.520 9.605 1.00 0.00 N ATOM 402 NH2 ARG A 27 -14.550 -5.294 10.989 1.00 0.00 N ATOM 0 H ARG A 27 -10.055 -9.435 6.778 1.00 0.00 H new ATOM 0 HA ARG A 27 -11.705 -7.685 5.302 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -12.915 -7.461 7.497 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.413 -6.999 8.273 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -11.304 -4.917 7.141 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -12.309 -5.466 5.815 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -13.465 -3.873 7.450 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -14.319 -5.375 7.157 1.00 0.00 H new ATOM 0 HE ARG A 27 -12.683 -5.910 9.383 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -14.505 -3.041 8.739 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -15.407 -3.088 10.257 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -14.143 -6.204 11.206 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -15.205 -4.860 11.640 1.00 0.00 H new ATOM 416 N ASP A 28 -9.772 -5.919 5.393 1.00 0.00 N ATOM 417 CA ASP A 28 -8.528 -5.186 5.202 1.00 0.00 C ATOM 418 C ASP A 28 -8.277 -4.318 6.428 1.00 0.00 C ATOM 419 O ASP A 28 -8.808 -3.213 6.548 1.00 0.00 O ATOM 420 CB ASP A 28 -8.576 -4.307 3.951 1.00 0.00 C ATOM 421 CG ASP A 28 -9.845 -4.573 3.145 1.00 0.00 C ATOM 422 OD1 ASP A 28 -10.863 -3.983 3.468 1.00 0.00 O ATOM 423 OD2 ASP A 28 -9.781 -5.362 2.216 1.00 0.00 O ATOM 0 H ASP A 28 -10.594 -5.478 4.980 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.720 -5.905 5.069 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.537 -3.256 4.239 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.700 -4.501 3.332 1.00 0.00 H new ATOM 428 N SER A 29 -7.489 -4.854 7.342 1.00 0.00 N ATOM 429 CA SER A 29 -7.177 -4.159 8.591 1.00 0.00 C ATOM 430 C SER A 29 -5.672 -4.054 8.818 1.00 0.00 C ATOM 431 O SER A 29 -4.936 -5.029 8.649 1.00 0.00 O ATOM 432 CB SER A 29 -7.810 -4.908 9.765 1.00 0.00 C ATOM 433 OG SER A 29 -9.151 -4.467 9.938 1.00 0.00 O ATOM 0 H SER A 29 -7.050 -5.770 7.249 1.00 0.00 H new ATOM 0 HA SER A 29 -7.582 -3.149 8.521 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.790 -5.982 9.579 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.237 -4.731 10.675 1.00 0.00 H new ATOM 0 HG SER A 29 -9.559 -4.947 10.689 1.00 0.00 H new ATOM 439 N ILE A 30 -5.232 -2.867 9.232 1.00 0.00 N ATOM 440 CA ILE A 30 -3.818 -2.626 9.518 1.00 0.00 C ATOM 441 C ILE A 30 -3.553 -2.922 10.997 1.00 0.00 C ATOM 442 O ILE A 30 -3.450 -2.011 11.823 1.00 0.00 O ATOM 443 CB ILE A 30 -3.435 -1.173 9.173 1.00 0.00 C ATOM 444 CG1 ILE A 30 -4.705 -0.322 9.004 1.00 0.00 C ATOM 445 CG2 ILE A 30 -2.636 -1.155 7.865 1.00 0.00 C ATOM 446 CD1 ILE A 30 -4.331 1.098 8.564 1.00 0.00 C ATOM 0 H ILE A 30 -5.834 -2.057 9.377 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.204 -3.284 8.903 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.831 -0.761 9.981 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.363 -0.779 8.265 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.257 -0.287 9.943 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.364 -0.129 7.619 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.732 -1.752 7.983 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.244 -1.572 7.062 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.237 1.693 8.447 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.691 1.556 9.318 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.799 1.056 7.614 1.00 0.00 H new ATOM 458 N VAL A 31 -3.490 -4.213 11.315 1.00 0.00 N ATOM 459 CA VAL A 31 -3.286 -4.677 12.690 1.00 0.00 C ATOM 460 C VAL A 31 -1.882 -5.240 12.903 1.00 0.00 C ATOM 461 O VAL A 31 -1.639 -5.971 13.866 1.00 0.00 O ATOM 462 CB VAL A 31 -4.311 -5.754 13.034 1.00 0.00 C ATOM 463 CG1 VAL A 31 -5.536 -5.111 13.690 1.00 0.00 C ATOM 464 CG2 VAL A 31 -4.741 -6.493 11.761 1.00 0.00 C ATOM 0 H VAL A 31 -3.578 -4.966 10.632 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.409 -3.813 13.344 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.860 -6.465 13.726 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.265 -5.883 13.934 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.233 -4.597 14.602 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.983 -4.394 13.001 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.473 -7.260 12.015 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.186 -5.785 11.062 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.871 -6.960 11.300 1.00 0.00 H new ATOM 474 N GLY A 32 -0.971 -4.919 12.003 1.00 0.00 N ATOM 475 CA GLY A 32 0.394 -5.420 12.101 1.00 0.00 C ATOM 476 C GLY A 32 1.382 -4.357 11.666 1.00 0.00 C ATOM 477 O GLY A 32 2.525 -4.653 11.317 1.00 0.00 O ATOM 0 H GLY A 32 -1.147 -4.317 11.199 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.604 -5.722 13.127 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.508 -6.307 11.478 1.00 0.00 H new ATOM 481 N LEU A 33 0.936 -3.110 11.721 1.00 0.00 N ATOM 482 CA LEU A 33 1.787 -1.992 11.361 1.00 0.00 C ATOM 483 C LEU A 33 3.032 -2.005 12.235 1.00 0.00 C ATOM 484 O LEU A 33 2.968 -1.714 13.431 1.00 0.00 O ATOM 485 CB LEU A 33 1.017 -0.686 11.550 1.00 0.00 C ATOM 486 CG LEU A 33 -0.057 -0.565 10.468 1.00 0.00 C ATOM 487 CD1 LEU A 33 -0.634 0.853 10.481 1.00 0.00 C ATOM 488 CD2 LEU A 33 0.563 -0.859 9.098 1.00 0.00 C ATOM 0 H LEU A 33 -0.007 -2.851 12.011 1.00 0.00 H new ATOM 0 HA LEU A 33 2.087 -2.075 10.317 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.557 -0.663 12.538 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.700 0.162 11.496 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.855 -1.281 10.663 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.400 0.941 9.710 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.076 1.057 11.456 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.162 1.572 10.285 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.202 -0.773 8.326 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.361 -0.144 8.899 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.971 -1.870 9.093 1.00 0.00 H new ATOM 500 N HIS A 34 4.158 -2.377 11.638 1.00 0.00 N ATOM 501 CA HIS A 34 5.406 -2.463 12.384 1.00 0.00 C ATOM 502 C HIS A 34 6.222 -1.173 12.266 1.00 0.00 C ATOM 503 O HIS A 34 6.045 -0.391 11.334 1.00 0.00 O ATOM 504 CB HIS A 34 6.208 -3.672 11.882 1.00 0.00 C ATOM 505 CG HIS A 34 7.424 -3.878 12.744 1.00 0.00 C ATOM 506 ND1 HIS A 34 8.706 -3.616 12.290 1.00 0.00 N ATOM 507 CD2 HIS A 34 7.569 -4.324 14.035 1.00 0.00 C ATOM 508 CE1 HIS A 34 9.558 -3.901 13.292 1.00 0.00 C ATOM 509 NE2 HIS A 34 8.916 -4.336 14.379 1.00 0.00 N ATOM 0 H HIS A 34 4.232 -2.621 10.650 1.00 0.00 H new ATOM 0 HA HIS A 34 5.177 -2.595 13.441 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.584 -4.565 11.900 1.00 0.00 H new ATOM 0 HB3 HIS A 34 6.509 -3.514 10.846 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.759 -4.621 14.685 1.00 0.00 H new ATOM 0 HE1 HIS A 34 10.630 -3.791 13.225 1.00 0.00 H new ATOM 0 HE2 HIS A 34 9.326 -4.617 15.270 1.00 0.00 H new ATOM 517 N GLY A 35 7.107 -0.952 13.236 1.00 0.00 N ATOM 518 CA GLY A 35 7.940 0.248 13.244 1.00 0.00 C ATOM 519 C GLY A 35 8.919 0.234 12.075 1.00 0.00 C ATOM 520 O GLY A 35 9.313 1.284 11.568 1.00 0.00 O ATOM 0 H GLY A 35 7.265 -1.583 14.021 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.309 1.135 13.185 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.489 0.309 14.184 1.00 0.00 H new ATOM 524 N ASP A 36 9.301 -0.969 11.656 1.00 0.00 N ATOM 525 CA ASP A 36 10.232 -1.134 10.544 1.00 0.00 C ATOM 526 C ASP A 36 9.527 -1.763 9.347 1.00 0.00 C ATOM 527 O ASP A 36 10.088 -1.828 8.253 1.00 0.00 O ATOM 528 CB ASP A 36 11.407 -2.035 10.951 1.00 0.00 C ATOM 529 CG ASP A 36 11.968 -1.641 12.322 1.00 0.00 C ATOM 530 OD1 ASP A 36 11.616 -0.582 12.816 1.00 0.00 O ATOM 531 OD2 ASP A 36 12.751 -2.410 12.858 1.00 0.00 O ATOM 0 H ASP A 36 8.980 -1.844 12.070 1.00 0.00 H new ATOM 0 HA ASP A 36 10.605 -0.146 10.274 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.079 -3.074 10.976 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.195 -1.968 10.201 1.00 0.00 H new ATOM 536 N GLU A 37 8.301 -2.237 9.562 1.00 0.00 N ATOM 537 CA GLU A 37 7.540 -2.870 8.487 1.00 0.00 C ATOM 538 C GLU A 37 6.068 -2.472 8.560 1.00 0.00 C ATOM 539 O GLU A 37 5.670 -1.679 9.406 1.00 0.00 O ATOM 540 CB GLU A 37 7.656 -4.398 8.580 1.00 0.00 C ATOM 541 CG GLU A 37 9.044 -4.792 9.103 1.00 0.00 C ATOM 542 CD GLU A 37 9.260 -6.302 8.985 1.00 0.00 C ATOM 543 OE1 GLU A 37 8.305 -7.004 8.688 1.00 0.00 O ATOM 544 OE2 GLU A 37 10.381 -6.734 9.199 1.00 0.00 O ATOM 0 H GLU A 37 7.818 -2.196 10.460 1.00 0.00 H new ATOM 0 HA GLU A 37 7.954 -2.531 7.537 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.885 -4.789 9.243 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.489 -4.843 7.599 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.813 -4.265 8.539 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.146 -4.486 10.144 1.00 0.00 H new ATOM 551 N VAL A 38 5.268 -3.040 7.671 1.00 0.00 N ATOM 552 CA VAL A 38 3.837 -2.754 7.640 1.00 0.00 C ATOM 553 C VAL A 38 3.074 -4.024 7.293 1.00 0.00 C ATOM 554 O VAL A 38 3.184 -4.527 6.181 1.00 0.00 O ATOM 555 CB VAL A 38 3.537 -1.666 6.599 1.00 0.00 C ATOM 556 CG1 VAL A 38 2.024 -1.575 6.348 1.00 0.00 C ATOM 557 CG2 VAL A 38 4.048 -0.314 7.108 1.00 0.00 C ATOM 0 H VAL A 38 5.582 -3.701 6.961 1.00 0.00 H new ATOM 0 HA VAL A 38 3.523 -2.397 8.621 1.00 0.00 H new ATOM 0 HB VAL A 38 4.039 -1.923 5.666 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.824 -0.800 5.608 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.658 -2.533 5.978 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.515 -1.327 7.279 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.835 0.458 6.368 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.550 -0.066 8.045 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.124 -0.370 7.273 1.00 0.00 H new ATOM 567 N LYS A 39 2.305 -4.541 8.244 1.00 0.00 N ATOM 568 CA LYS A 39 1.537 -5.753 8.001 1.00 0.00 C ATOM 569 C LYS A 39 0.056 -5.437 7.964 1.00 0.00 C ATOM 570 O LYS A 39 -0.463 -4.732 8.832 1.00 0.00 O ATOM 571 CB LYS A 39 1.827 -6.787 9.084 1.00 0.00 C ATOM 572 CG LYS A 39 2.952 -7.706 8.612 1.00 0.00 C ATOM 573 CD LYS A 39 2.389 -9.069 8.184 1.00 0.00 C ATOM 574 CE LYS A 39 1.623 -9.724 9.345 1.00 0.00 C ATOM 575 NZ LYS A 39 2.160 -9.243 10.651 1.00 0.00 N ATOM 0 H LYS A 39 2.198 -4.145 9.178 1.00 0.00 H new ATOM 0 HA LYS A 39 1.831 -6.165 7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.112 -6.290 10.011 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.931 -7.369 9.297 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.480 -7.245 7.777 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.679 -7.841 9.413 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.726 -8.943 7.328 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.202 -9.720 7.864 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.562 -9.487 9.270 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.712 -10.809 9.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.895 -9.911 11.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.196 -9.177 10.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.764 -8.306 10.865 1.00 0.00 H new ATOM 589 N VAL A 40 -0.618 -5.957 6.949 1.00 0.00 N ATOM 590 CA VAL A 40 -2.043 -5.720 6.798 1.00 0.00 C ATOM 591 C VAL A 40 -2.722 -6.922 6.160 1.00 0.00 C ATOM 592 O VAL A 40 -2.354 -7.347 5.063 1.00 0.00 O ATOM 593 CB VAL A 40 -2.274 -4.472 5.932 1.00 0.00 C ATOM 594 CG1 VAL A 40 -1.844 -4.746 4.487 1.00 0.00 C ATOM 595 CG2 VAL A 40 -3.760 -4.095 5.957 1.00 0.00 C ATOM 0 H VAL A 40 -0.203 -6.542 6.223 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.475 -5.561 7.786 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.680 -3.650 6.332 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.012 -3.855 3.882 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.785 -5.005 4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.428 -5.573 4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.921 -3.210 5.342 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.352 -4.922 5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.065 -3.885 6.982 1.00 0.00 H new ATOM 605 N ALA A 41 -3.730 -7.453 6.838 1.00 0.00 N ATOM 606 CA ALA A 41 -4.463 -8.583 6.300 1.00 0.00 C ATOM 607 C ALA A 41 -5.572 -8.056 5.410 1.00 0.00 C ATOM 608 O ALA A 41 -6.406 -7.280 5.863 1.00 0.00 O ATOM 609 CB ALA A 41 -5.065 -9.436 7.420 1.00 0.00 C ATOM 0 H ALA A 41 -4.053 -7.124 7.748 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.779 -9.212 5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.608 -10.275 6.986 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.267 -9.812 8.060 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.749 -8.828 8.013 1.00 0.00 H new ATOM 615 N ILE A 42 -5.571 -8.472 4.151 1.00 0.00 N ATOM 616 CA ILE A 42 -6.589 -8.019 3.212 1.00 0.00 C ATOM 617 C ILE A 42 -7.528 -9.173 2.890 1.00 0.00 C ATOM 618 O ILE A 42 -7.124 -10.336 2.893 1.00 0.00 O ATOM 619 CB ILE A 42 -5.925 -7.490 1.927 1.00 0.00 C ATOM 620 CG1 ILE A 42 -6.991 -6.855 1.028 1.00 0.00 C ATOM 621 CG2 ILE A 42 -5.244 -8.639 1.175 1.00 0.00 C ATOM 622 CD1 ILE A 42 -6.317 -6.077 -0.105 1.00 0.00 C ATOM 0 H ILE A 42 -4.884 -9.116 3.759 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.162 -7.208 3.661 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.176 -6.745 2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.639 -7.628 0.615 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.623 -6.188 1.614 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.778 -8.254 0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.483 -9.090 1.812 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.987 -9.391 0.910 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.079 -5.627 -0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.687 -5.293 0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.704 -6.756 -0.698 1.00 0.00 H new ATOM 634 N THR A 43 -8.787 -8.842 2.636 1.00 0.00 N ATOM 635 CA THR A 43 -9.793 -9.858 2.338 1.00 0.00 C ATOM 636 C THR A 43 -9.873 -10.123 0.835 1.00 0.00 C ATOM 637 O THR A 43 -10.956 -10.334 0.286 1.00 0.00 O ATOM 638 CB THR A 43 -11.157 -9.409 2.883 1.00 0.00 C ATOM 639 OG1 THR A 43 -12.147 -10.371 2.543 1.00 0.00 O ATOM 640 CG2 THR A 43 -11.537 -8.045 2.294 1.00 0.00 C ATOM 0 H THR A 43 -9.137 -7.884 2.630 1.00 0.00 H new ATOM 0 HA THR A 43 -9.505 -10.790 2.824 1.00 0.00 H new ATOM 0 HB THR A 43 -11.095 -9.321 3.968 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.145 -10.513 1.573 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.506 -7.736 2.687 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.782 -7.308 2.568 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.593 -8.121 1.208 1.00 0.00 H new ATOM 648 N ALA A 44 -8.716 -10.119 0.180 1.00 0.00 N ATOM 649 CA ALA A 44 -8.653 -10.370 -1.256 1.00 0.00 C ATOM 650 C ALA A 44 -8.113 -11.776 -1.530 1.00 0.00 C ATOM 651 O ALA A 44 -7.178 -12.227 -0.866 1.00 0.00 O ATOM 652 CB ALA A 44 -7.755 -9.329 -1.931 1.00 0.00 C ATOM 0 H ALA A 44 -7.812 -9.945 0.619 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.660 -10.295 -1.666 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.714 -9.524 -3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.161 -8.332 -1.759 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.750 -9.389 -1.512 1.00 0.00 H new ATOM 658 N PRO A 45 -8.685 -12.468 -2.488 1.00 0.00 N ATOM 659 CA PRO A 45 -8.252 -13.848 -2.854 1.00 0.00 C ATOM 660 C PRO A 45 -6.764 -13.921 -3.218 1.00 0.00 C ATOM 661 O PRO A 45 -6.094 -12.896 -3.357 1.00 0.00 O ATOM 662 CB PRO A 45 -9.119 -14.239 -4.055 1.00 0.00 C ATOM 663 CG PRO A 45 -10.030 -13.090 -4.354 1.00 0.00 C ATOM 664 CD PRO A 45 -9.810 -11.998 -3.306 1.00 0.00 C ATOM 0 HA PRO A 45 -8.376 -14.525 -2.009 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.495 -14.467 -4.919 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.696 -15.137 -3.834 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.830 -12.700 -5.352 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -11.069 -13.420 -4.343 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.582 -11.042 -3.776 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.703 -11.850 -2.699 1.00 0.00 H new ATOM 672 N PRO A 46 -6.244 -15.119 -3.367 1.00 0.00 N ATOM 673 CA PRO A 46 -4.809 -15.355 -3.711 1.00 0.00 C ATOM 674 C PRO A 46 -4.487 -15.100 -5.190 1.00 0.00 C ATOM 675 O PRO A 46 -3.523 -15.654 -5.717 1.00 0.00 O ATOM 676 CB PRO A 46 -4.572 -16.834 -3.355 1.00 0.00 C ATOM 677 CG PRO A 46 -5.870 -17.372 -2.827 1.00 0.00 C ATOM 678 CD PRO A 46 -6.966 -16.385 -3.219 1.00 0.00 C ATOM 0 HA PRO A 46 -4.163 -14.666 -3.167 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.250 -17.395 -4.232 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.783 -16.929 -2.609 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.075 -18.358 -3.244 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.826 -17.486 -1.744 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.458 -16.678 -4.146 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.740 -16.319 -2.454 1.00 0.00 H new ATOM 686 N VAL A 47 -5.285 -14.263 -5.849 1.00 0.00 N ATOM 687 CA VAL A 47 -5.055 -13.947 -7.262 1.00 0.00 C ATOM 688 C VAL A 47 -4.825 -12.447 -7.435 1.00 0.00 C ATOM 689 O VAL A 47 -5.508 -11.635 -6.810 1.00 0.00 O ATOM 690 CB VAL A 47 -6.257 -14.398 -8.102 1.00 0.00 C ATOM 691 CG1 VAL A 47 -7.504 -13.619 -7.674 1.00 0.00 C ATOM 692 CG2 VAL A 47 -5.977 -14.138 -9.587 1.00 0.00 C ATOM 0 H VAL A 47 -6.090 -13.794 -5.435 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.167 -14.479 -7.603 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.423 -15.464 -7.947 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.357 -13.941 -8.272 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.707 -13.808 -6.620 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.337 -12.553 -7.825 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.833 -14.460 -10.180 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.806 -13.073 -9.744 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.093 -14.696 -9.894 1.00 0.00 H new ATOM 702 N ASP A 48 -3.854 -12.081 -8.276 1.00 0.00 N ATOM 703 CA ASP A 48 -3.546 -10.666 -8.502 1.00 0.00 C ATOM 704 C ASP A 48 -4.792 -9.892 -8.908 1.00 0.00 C ATOM 705 O ASP A 48 -5.171 -8.935 -8.246 1.00 0.00 O ATOM 706 CB ASP A 48 -2.492 -10.493 -9.601 1.00 0.00 C ATOM 707 CG ASP A 48 -1.456 -11.608 -9.539 1.00 0.00 C ATOM 708 OD1 ASP A 48 -1.781 -12.720 -9.925 1.00 0.00 O ATOM 709 OD2 ASP A 48 -0.349 -11.330 -9.115 1.00 0.00 O ATOM 0 H ASP A 48 -3.275 -12.734 -8.805 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.159 -10.276 -7.561 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.976 -10.494 -10.578 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.000 -9.527 -9.490 1.00 0.00 H new ATOM 714 N GLY A 49 -5.416 -10.303 -10.006 1.00 0.00 N ATOM 715 CA GLY A 49 -6.613 -9.624 -10.495 1.00 0.00 C ATOM 716 C GLY A 49 -7.473 -9.102 -9.345 1.00 0.00 C ATOM 717 O GLY A 49 -7.827 -7.921 -9.304 1.00 0.00 O ATOM 0 H GLY A 49 -5.117 -11.097 -10.572 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.323 -8.794 -11.139 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.199 -10.312 -11.105 1.00 0.00 H new ATOM 721 N GLN A 50 -7.803 -9.989 -8.413 1.00 0.00 N ATOM 722 CA GLN A 50 -8.629 -9.619 -7.266 1.00 0.00 C ATOM 723 C GLN A 50 -7.818 -8.872 -6.204 1.00 0.00 C ATOM 724 O GLN A 50 -8.311 -7.918 -5.599 1.00 0.00 O ATOM 725 CB GLN A 50 -9.245 -10.877 -6.651 1.00 0.00 C ATOM 726 CG GLN A 50 -10.064 -11.624 -7.712 1.00 0.00 C ATOM 727 CD GLN A 50 -11.476 -11.050 -7.787 1.00 0.00 C ATOM 728 OE1 GLN A 50 -12.196 -11.042 -6.789 1.00 0.00 O ATOM 729 NE2 GLN A 50 -11.917 -10.569 -8.917 1.00 0.00 N ATOM 0 H GLN A 50 -7.513 -10.967 -8.427 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.415 -8.952 -7.619 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.460 -11.525 -6.261 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.883 -10.607 -5.809 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.577 -11.540 -8.684 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.107 -12.685 -7.468 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.318 -10.577 -9.743 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.860 -10.185 -8.974 1.00 0.00 H new ATOM 738 N ALA A 51 -6.580 -9.308 -5.979 1.00 0.00 N ATOM 739 CA ALA A 51 -5.720 -8.667 -4.983 1.00 0.00 C ATOM 740 C ALA A 51 -5.336 -7.260 -5.434 1.00 0.00 C ATOM 741 O ALA A 51 -5.689 -6.272 -4.789 1.00 0.00 O ATOM 742 CB ALA A 51 -4.452 -9.499 -4.772 1.00 0.00 C ATOM 0 H ALA A 51 -6.152 -10.095 -6.467 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.271 -8.600 -4.045 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.818 -9.014 -4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -4.724 -10.495 -4.422 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.910 -9.581 -5.714 1.00 0.00 H new ATOM 748 N ASN A 52 -4.621 -7.192 -6.553 1.00 0.00 N ATOM 749 CA ASN A 52 -4.181 -5.927 -7.127 1.00 0.00 C ATOM 750 C ASN A 52 -5.308 -4.893 -7.096 1.00 0.00 C ATOM 751 O ASN A 52 -5.097 -3.749 -6.692 1.00 0.00 O ATOM 752 CB ASN A 52 -3.727 -6.166 -8.574 1.00 0.00 C ATOM 753 CG ASN A 52 -3.071 -4.913 -9.155 1.00 0.00 C ATOM 754 OD1 ASN A 52 -3.465 -3.791 -8.830 1.00 0.00 O ATOM 755 ND2 ASN A 52 -2.091 -5.038 -10.008 1.00 0.00 N ATOM 0 H ASN A 52 -4.331 -8.012 -7.086 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.351 -5.538 -6.537 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.023 -6.998 -8.606 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.583 -6.450 -9.186 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.652 -4.208 -10.405 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.765 -5.966 -10.277 1.00 0.00 H new ATOM 762 N SER A 53 -6.504 -5.302 -7.528 1.00 0.00 N ATOM 763 CA SER A 53 -7.656 -4.401 -7.547 1.00 0.00 C ATOM 764 C SER A 53 -7.877 -3.753 -6.180 1.00 0.00 C ATOM 765 O SER A 53 -7.880 -2.528 -6.062 1.00 0.00 O ATOM 766 CB SER A 53 -8.914 -5.167 -7.960 1.00 0.00 C ATOM 767 OG SER A 53 -8.883 -5.393 -9.364 1.00 0.00 O ATOM 0 H SER A 53 -6.698 -6.244 -7.867 1.00 0.00 H new ATOM 0 HA SER A 53 -7.452 -3.613 -8.272 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.967 -6.117 -7.428 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.805 -4.600 -7.690 1.00 0.00 H new ATOM 0 HG SER A 53 -8.533 -6.291 -9.543 1.00 0.00 H new ATOM 773 N HIS A 54 -8.059 -4.580 -5.151 1.00 0.00 N ATOM 774 CA HIS A 54 -8.280 -4.069 -3.796 1.00 0.00 C ATOM 775 C HIS A 54 -7.201 -3.063 -3.418 1.00 0.00 C ATOM 776 O HIS A 54 -7.499 -1.965 -2.962 1.00 0.00 O ATOM 777 CB HIS A 54 -8.251 -5.215 -2.785 1.00 0.00 C ATOM 778 CG HIS A 54 -9.646 -5.574 -2.355 1.00 0.00 C ATOM 779 ND1 HIS A 54 -10.756 -5.356 -3.159 1.00 0.00 N ATOM 780 CD2 HIS A 54 -10.124 -6.144 -1.201 1.00 0.00 C ATOM 781 CE1 HIS A 54 -11.836 -5.789 -2.482 1.00 0.00 C ATOM 782 NE2 HIS A 54 -11.506 -6.279 -1.282 1.00 0.00 N ATOM 0 H HIS A 54 -8.058 -5.597 -5.227 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.255 -3.583 -3.779 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -7.765 -6.085 -3.227 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.659 -4.926 -1.916 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.519 -6.442 -0.358 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -12.846 -5.746 -2.862 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -12.133 -6.668 -0.578 1.00 0.00 H new ATOM 790 N LEU A 55 -5.945 -3.452 -3.605 1.00 0.00 N ATOM 791 CA LEU A 55 -4.828 -2.574 -3.274 1.00 0.00 C ATOM 792 C LEU A 55 -5.029 -1.201 -3.913 1.00 0.00 C ATOM 793 O LEU A 55 -4.818 -0.171 -3.272 1.00 0.00 O ATOM 794 CB LEU A 55 -3.514 -3.191 -3.769 1.00 0.00 C ATOM 795 CG LEU A 55 -2.813 -3.944 -2.631 1.00 0.00 C ATOM 796 CD1 LEU A 55 -2.556 -2.997 -1.454 1.00 0.00 C ATOM 797 CD2 LEU A 55 -3.686 -5.116 -2.168 1.00 0.00 C ATOM 0 H LEU A 55 -5.675 -4.361 -3.981 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.783 -2.456 -2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.714 -3.873 -4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.860 -2.408 -4.153 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.860 -4.326 -2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.058 -3.541 -0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.922 -2.173 -1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.505 -2.602 -1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.183 -5.647 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.644 -4.738 -1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.852 -5.798 -3.002 1.00 0.00 H new ATOM 809 N VAL A 56 -5.451 -1.198 -5.177 1.00 0.00 N ATOM 810 CA VAL A 56 -5.693 0.050 -5.892 1.00 0.00 C ATOM 811 C VAL A 56 -6.917 0.755 -5.312 1.00 0.00 C ATOM 812 O VAL A 56 -7.035 1.978 -5.385 1.00 0.00 O ATOM 813 CB VAL A 56 -5.895 -0.233 -7.395 1.00 0.00 C ATOM 814 CG1 VAL A 56 -7.353 0.021 -7.804 1.00 0.00 C ATOM 815 CG2 VAL A 56 -4.981 0.684 -8.213 1.00 0.00 C ATOM 0 H VAL A 56 -5.631 -2.041 -5.722 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.827 0.702 -5.774 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.650 -1.278 -7.587 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.474 -0.185 -8.868 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.011 -0.633 -7.231 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.611 1.061 -7.604 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.123 0.485 -9.275 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.227 1.725 -8.003 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.942 0.496 -7.944 1.00 0.00 H new ATOM 825 N LYS A 57 -7.825 -0.035 -4.742 1.00 0.00 N ATOM 826 CA LYS A 57 -9.047 0.505 -4.152 1.00 0.00 C ATOM 827 C LYS A 57 -8.771 1.086 -2.768 1.00 0.00 C ATOM 828 O LYS A 57 -8.991 2.275 -2.536 1.00 0.00 O ATOM 829 CB LYS A 57 -10.108 -0.598 -4.045 1.00 0.00 C ATOM 830 CG LYS A 57 -11.411 -0.003 -3.505 1.00 0.00 C ATOM 831 CD LYS A 57 -12.533 -1.046 -3.577 1.00 0.00 C ATOM 832 CE LYS A 57 -12.430 -2.003 -2.386 1.00 0.00 C ATOM 833 NZ LYS A 57 -12.683 -1.257 -1.122 1.00 0.00 N ATOM 0 H LYS A 57 -7.737 -1.049 -4.677 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.414 1.303 -4.797 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.279 -1.049 -5.023 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.757 -1.392 -3.385 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.272 0.323 -2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.685 0.879 -4.084 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.504 -0.550 -3.574 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.464 -1.604 -4.511 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.152 -2.812 -2.493 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.441 -2.460 -2.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.429 -1.737 -0.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.810 -1.224 -0.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.987 -0.288 -1.346 1.00 0.00 H new ATOM 847 N PHE A 58 -8.299 0.240 -1.853 1.00 0.00 N ATOM 848 CA PHE A 58 -8.005 0.674 -0.488 1.00 0.00 C ATOM 849 C PHE A 58 -7.206 1.976 -0.481 1.00 0.00 C ATOM 850 O PHE A 58 -7.634 2.973 0.101 1.00 0.00 O ATOM 851 CB PHE A 58 -7.211 -0.415 0.244 1.00 0.00 C ATOM 852 CG PHE A 58 -7.478 -0.334 1.731 1.00 0.00 C ATOM 853 CD1 PHE A 58 -8.711 -0.758 2.242 1.00 0.00 C ATOM 854 CD2 PHE A 58 -6.496 0.164 2.599 1.00 0.00 C ATOM 855 CE1 PHE A 58 -8.962 -0.688 3.617 1.00 0.00 C ATOM 856 CE2 PHE A 58 -6.748 0.234 3.974 1.00 0.00 C ATOM 857 CZ PHE A 58 -7.981 -0.192 4.484 1.00 0.00 C ATOM 0 H PHE A 58 -8.113 -0.747 -2.031 1.00 0.00 H new ATOM 0 HA PHE A 58 -8.953 0.848 0.022 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -7.493 -1.398 -0.132 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.145 -0.293 0.050 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.469 -1.139 1.574 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.545 0.494 2.207 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -9.913 -1.017 4.009 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.991 0.617 4.642 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.175 -0.138 5.545 1.00 0.00 H new ATOM 867 N LEU A 59 -6.041 1.953 -1.121 1.00 0.00 N ATOM 868 CA LEU A 59 -5.184 3.131 -1.171 1.00 0.00 C ATOM 869 C LEU A 59 -5.781 4.206 -2.071 1.00 0.00 C ATOM 870 O LEU A 59 -5.751 5.385 -1.732 1.00 0.00 O ATOM 871 CB LEU A 59 -3.789 2.741 -1.672 1.00 0.00 C ATOM 872 CG LEU A 59 -2.832 2.615 -0.480 1.00 0.00 C ATOM 873 CD1 LEU A 59 -3.444 1.699 0.587 1.00 0.00 C ATOM 874 CD2 LEU A 59 -1.502 2.023 -0.954 1.00 0.00 C ATOM 0 H LEU A 59 -5.671 1.137 -1.609 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.105 3.539 -0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.837 1.797 -2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.419 3.492 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.663 3.603 -0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.759 1.614 1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.390 2.120 0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.619 0.711 0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.821 1.933 -0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.676 1.037 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.061 2.676 -1.707 1.00 0.00 H new ATOM 886 N GLY A 60 -6.330 3.801 -3.212 1.00 0.00 N ATOM 887 CA GLY A 60 -6.931 4.760 -4.135 1.00 0.00 C ATOM 888 C GLY A 60 -7.920 5.662 -3.408 1.00 0.00 C ATOM 889 O GLY A 60 -8.047 6.845 -3.727 1.00 0.00 O ATOM 0 H GLY A 60 -6.372 2.829 -3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.151 5.365 -4.597 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.440 4.228 -4.939 1.00 0.00 H new ATOM 893 N LYS A 61 -8.619 5.091 -2.430 1.00 0.00 N ATOM 894 CA LYS A 61 -9.598 5.843 -1.654 1.00 0.00 C ATOM 895 C LYS A 61 -8.917 6.663 -0.560 1.00 0.00 C ATOM 896 O LYS A 61 -9.063 7.885 -0.508 1.00 0.00 O ATOM 897 CB LYS A 61 -10.612 4.879 -1.028 1.00 0.00 C ATOM 898 CG LYS A 61 -12.006 5.180 -1.584 1.00 0.00 C ATOM 899 CD LYS A 61 -12.961 4.033 -1.240 1.00 0.00 C ATOM 900 CE LYS A 61 -14.407 4.491 -1.447 1.00 0.00 C ATOM 901 NZ LYS A 61 -14.596 4.921 -2.862 1.00 0.00 N ATOM 0 H LYS A 61 -8.525 4.113 -2.158 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.114 6.531 -2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.335 3.848 -1.248 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.610 4.985 0.057 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.380 6.115 -1.166 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.956 5.312 -2.665 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.749 3.168 -1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.812 3.720 -0.207 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -15.094 3.679 -1.208 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -14.639 5.315 -0.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.612 4.988 -3.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.151 5.850 -3.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.157 4.225 -3.498 1.00 0.00 H new ATOM 915 N GLN A 62 -8.186 5.981 0.319 1.00 0.00 N ATOM 916 CA GLN A 62 -7.498 6.650 1.420 1.00 0.00 C ATOM 917 C GLN A 62 -6.567 7.747 0.902 1.00 0.00 C ATOM 918 O GLN A 62 -6.529 8.846 1.453 1.00 0.00 O ATOM 919 CB GLN A 62 -6.695 5.623 2.230 1.00 0.00 C ATOM 920 CG GLN A 62 -5.753 6.336 3.208 1.00 0.00 C ATOM 921 CD GLN A 62 -6.546 7.257 4.134 1.00 0.00 C ATOM 922 OE1 GLN A 62 -6.425 8.479 4.050 1.00 0.00 O ATOM 923 NE2 GLN A 62 -7.352 6.739 5.019 1.00 0.00 N ATOM 0 H GLN A 62 -8.055 4.970 0.291 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.248 7.115 2.061 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.374 4.971 2.779 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.119 4.989 1.556 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.206 5.600 3.797 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.014 6.915 2.654 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.451 5.726 5.087 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.883 7.347 5.643 1.00 0.00 H new ATOM 932 N PHE A 63 -5.821 7.446 -0.156 1.00 0.00 N ATOM 933 CA PHE A 63 -4.902 8.426 -0.727 1.00 0.00 C ATOM 934 C PHE A 63 -5.651 9.362 -1.663 1.00 0.00 C ATOM 935 O PHE A 63 -5.175 10.455 -1.976 1.00 0.00 O ATOM 936 CB PHE A 63 -3.774 7.723 -1.491 1.00 0.00 C ATOM 937 CG PHE A 63 -2.515 7.758 -0.662 1.00 0.00 C ATOM 938 CD1 PHE A 63 -2.291 6.778 0.311 1.00 0.00 C ATOM 939 CD2 PHE A 63 -1.574 8.777 -0.862 1.00 0.00 C ATOM 940 CE1 PHE A 63 -1.126 6.812 1.086 1.00 0.00 C ATOM 941 CE2 PHE A 63 -0.409 8.812 -0.086 1.00 0.00 C ATOM 942 CZ PHE A 63 -0.185 7.829 0.888 1.00 0.00 C ATOM 0 H PHE A 63 -5.833 6.543 -0.631 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.467 9.006 0.087 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.053 6.692 -1.707 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.606 8.215 -2.449 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -3.018 5.994 0.464 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.747 9.534 -1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -0.953 6.054 1.836 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.317 9.597 -0.238 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.714 7.856 1.486 1.00 0.00 H new ATOM 952 N ARG A 64 -6.831 8.926 -2.092 1.00 0.00 N ATOM 953 CA ARG A 64 -7.665 9.723 -2.979 1.00 0.00 C ATOM 954 C ARG A 64 -6.965 9.997 -4.313 1.00 0.00 C ATOM 955 O ARG A 64 -7.464 10.772 -5.131 1.00 0.00 O ATOM 956 CB ARG A 64 -8.027 11.041 -2.293 1.00 0.00 C ATOM 957 CG ARG A 64 -9.468 10.974 -1.773 1.00 0.00 C ATOM 958 CD ARG A 64 -9.799 12.255 -1.002 1.00 0.00 C ATOM 959 NE ARG A 64 -10.855 11.998 -0.027 1.00 0.00 N ATOM 960 CZ ARG A 64 -12.142 12.042 -0.369 1.00 0.00 C ATOM 961 NH1 ARG A 64 -12.486 12.176 -1.623 1.00 0.00 N ATOM 962 NH2 ARG A 64 -13.062 11.948 0.553 1.00 0.00 N ATOM 0 H ARG A 64 -7.230 8.022 -1.838 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.573 9.159 -3.193 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.341 11.233 -1.468 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.921 11.868 -2.995 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.160 10.850 -2.606 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.591 10.106 -1.125 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.907 12.623 -0.495 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.116 13.034 -1.695 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.602 11.780 0.937 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.768 12.247 -2.344 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -13.472 12.209 -1.880 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.794 11.841 1.531 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -14.048 11.981 0.295 1.00 0.00 H new ATOM 976 N VAL A 65 -5.821 9.348 -4.538 1.00 0.00 N ATOM 977 CA VAL A 65 -5.091 9.534 -5.793 1.00 0.00 C ATOM 978 C VAL A 65 -5.686 8.634 -6.872 1.00 0.00 C ATOM 979 O VAL A 65 -6.422 7.692 -6.571 1.00 0.00 O ATOM 980 CB VAL A 65 -3.593 9.219 -5.618 1.00 0.00 C ATOM 981 CG1 VAL A 65 -2.997 10.096 -4.515 1.00 0.00 C ATOM 982 CG2 VAL A 65 -3.396 7.742 -5.255 1.00 0.00 C ATOM 0 H VAL A 65 -5.386 8.700 -3.881 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.186 10.578 -6.092 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.086 9.426 -6.560 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.938 9.866 -4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.113 11.146 -4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.515 9.902 -3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.332 7.536 -5.135 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.916 7.524 -4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.800 7.115 -6.050 1.00 0.00 H new ATOM 992 N ALA A 66 -5.370 8.935 -8.127 1.00 0.00 N ATOM 993 CA ALA A 66 -5.885 8.156 -9.248 1.00 0.00 C ATOM 994 C ALA A 66 -5.341 6.731 -9.213 1.00 0.00 C ATOM 995 O ALA A 66 -4.284 6.475 -8.635 1.00 0.00 O ATOM 996 CB ALA A 66 -5.490 8.829 -10.563 1.00 0.00 C ATOM 0 H ALA A 66 -4.762 9.710 -8.393 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.971 8.111 -9.171 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.875 8.246 -11.400 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.909 9.835 -10.597 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.404 8.886 -10.630 1.00 0.00 H new ATOM 1002 N LYS A 67 -6.062 5.808 -9.846 1.00 0.00 N ATOM 1003 CA LYS A 67 -5.629 4.414 -9.889 1.00 0.00 C ATOM 1004 C LYS A 67 -4.414 4.291 -10.796 1.00 0.00 C ATOM 1005 O LYS A 67 -3.561 3.422 -10.610 1.00 0.00 O ATOM 1006 CB LYS A 67 -6.757 3.510 -10.398 1.00 0.00 C ATOM 1007 CG LYS A 67 -7.367 4.097 -11.677 1.00 0.00 C ATOM 1008 CD LYS A 67 -8.085 2.989 -12.455 1.00 0.00 C ATOM 1009 CE LYS A 67 -9.009 3.613 -13.502 1.00 0.00 C ATOM 1010 NZ LYS A 67 -9.682 2.531 -14.277 1.00 0.00 N ATOM 0 H LYS A 67 -6.939 5.997 -10.331 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.367 4.095 -8.880 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.371 2.510 -10.596 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.526 3.409 -9.632 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.068 4.893 -11.426 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.586 4.542 -12.294 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.356 2.340 -12.940 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.662 2.366 -11.771 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.753 4.244 -13.016 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.436 4.254 -14.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.311 2.954 -14.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.965 1.946 -14.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.241 1.937 -13.631 1.00 0.00 H new ATOM 1024 N SER A 68 -4.344 5.191 -11.772 1.00 0.00 N ATOM 1025 CA SER A 68 -3.234 5.220 -12.711 1.00 0.00 C ATOM 1026 C SER A 68 -1.973 5.714 -12.010 1.00 0.00 C ATOM 1027 O SER A 68 -0.868 5.613 -12.544 1.00 0.00 O ATOM 1028 CB SER A 68 -3.580 6.153 -13.874 1.00 0.00 C ATOM 1029 OG SER A 68 -3.851 5.381 -15.034 1.00 0.00 O ATOM 0 H SER A 68 -5.048 5.912 -11.931 1.00 0.00 H new ATOM 0 HA SER A 68 -3.055 4.214 -13.091 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.446 6.763 -13.619 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.753 6.837 -14.064 1.00 0.00 H new ATOM 0 HG SER A 68 -4.074 5.977 -15.779 1.00 0.00 H new ATOM 1035 N GLN A 69 -2.157 6.247 -10.804 1.00 0.00 N ATOM 1036 CA GLN A 69 -1.044 6.758 -10.014 1.00 0.00 C ATOM 1037 C GLN A 69 -0.633 5.740 -8.958 1.00 0.00 C ATOM 1038 O GLN A 69 0.383 5.911 -8.293 1.00 0.00 O ATOM 1039 CB GLN A 69 -1.445 8.073 -9.343 1.00 0.00 C ATOM 1040 CG GLN A 69 -1.700 9.132 -10.419 1.00 0.00 C ATOM 1041 CD GLN A 69 -2.357 10.367 -9.810 1.00 0.00 C ATOM 1042 OE1 GLN A 69 -2.472 10.480 -8.588 1.00 0.00 O ATOM 1043 NE2 GLN A 69 -2.802 11.305 -10.598 1.00 0.00 N ATOM 0 H GLN A 69 -3.068 6.335 -10.354 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.196 6.937 -10.675 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.341 7.928 -8.739 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.656 8.406 -8.668 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.759 9.410 -10.894 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.340 8.720 -11.199 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.706 11.210 -11.609 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.246 12.134 -10.204 1.00 0.00 H new ATOM 1052 N VAL A 70 -1.428 4.677 -8.824 1.00 0.00 N ATOM 1053 CA VAL A 70 -1.143 3.615 -7.862 1.00 0.00 C ATOM 1054 C VAL A 70 -0.589 2.398 -8.598 1.00 0.00 C ATOM 1055 O VAL A 70 -1.347 1.610 -9.166 1.00 0.00 O ATOM 1056 CB VAL A 70 -2.422 3.223 -7.110 1.00 0.00 C ATOM 1057 CG1 VAL A 70 -2.078 2.221 -6.004 1.00 0.00 C ATOM 1058 CG2 VAL A 70 -3.056 4.468 -6.484 1.00 0.00 C ATOM 0 H VAL A 70 -2.276 4.530 -9.372 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.407 3.975 -7.143 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.125 2.771 -7.810 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.986 1.943 -5.470 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.630 1.331 -6.446 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.373 2.675 -5.308 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.964 4.185 -5.951 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.353 4.923 -5.787 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.304 5.184 -7.268 1.00 0.00 H new ATOM 1068 N VAL A 71 0.734 2.263 -8.609 1.00 0.00 N ATOM 1069 CA VAL A 71 1.372 1.146 -9.310 1.00 0.00 C ATOM 1070 C VAL A 71 2.134 0.227 -8.354 1.00 0.00 C ATOM 1071 O VAL A 71 3.046 0.662 -7.650 1.00 0.00 O ATOM 1072 CB VAL A 71 2.345 1.683 -10.366 1.00 0.00 C ATOM 1073 CG1 VAL A 71 2.686 0.570 -11.363 1.00 0.00 C ATOM 1074 CG2 VAL A 71 1.703 2.856 -11.115 1.00 0.00 C ATOM 0 H VAL A 71 1.381 2.903 -8.148 1.00 0.00 H new ATOM 0 HA VAL A 71 0.580 0.564 -9.781 1.00 0.00 H new ATOM 0 HB VAL A 71 3.255 2.024 -9.873 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.378 0.953 -12.113 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.149 -0.263 -10.834 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.774 0.227 -11.852 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.399 3.234 -11.864 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.790 2.519 -11.605 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.463 3.651 -10.409 1.00 0.00 H new ATOM 1084 N ILE A 72 1.769 -1.057 -8.370 1.00 0.00 N ATOM 1085 CA ILE A 72 2.436 -2.057 -7.539 1.00 0.00 C ATOM 1086 C ILE A 72 3.713 -2.512 -8.241 1.00 0.00 C ATOM 1087 O ILE A 72 3.719 -3.519 -8.951 1.00 0.00 O ATOM 1088 CB ILE A 72 1.506 -3.258 -7.317 1.00 0.00 C ATOM 1089 CG1 ILE A 72 0.156 -2.766 -6.774 1.00 0.00 C ATOM 1090 CG2 ILE A 72 2.141 -4.224 -6.310 1.00 0.00 C ATOM 1091 CD1 ILE A 72 -0.859 -3.913 -6.797 1.00 0.00 C ATOM 0 H ILE A 72 1.015 -1.427 -8.950 1.00 0.00 H new ATOM 0 HA ILE A 72 2.683 -1.623 -6.570 1.00 0.00 H new ATOM 0 HB ILE A 72 1.352 -3.775 -8.264 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.276 -2.394 -5.756 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.208 -1.934 -7.377 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.478 -5.075 -6.155 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.098 -4.575 -6.696 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.299 -3.710 -5.362 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.815 -3.560 -6.411 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.988 -4.264 -7.821 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.497 -4.732 -6.175 1.00 0.00 H new ATOM 1103 N GLU A 73 4.788 -1.752 -8.046 1.00 0.00 N ATOM 1104 CA GLU A 73 6.070 -2.070 -8.672 1.00 0.00 C ATOM 1105 C GLU A 73 6.570 -3.448 -8.231 1.00 0.00 C ATOM 1106 O GLU A 73 7.596 -3.930 -8.714 1.00 0.00 O ATOM 1107 CB GLU A 73 7.101 -0.990 -8.309 1.00 0.00 C ATOM 1108 CG GLU A 73 7.273 -0.025 -9.489 1.00 0.00 C ATOM 1109 CD GLU A 73 8.078 -0.675 -10.618 1.00 0.00 C ATOM 1110 OE1 GLU A 73 8.441 -1.834 -10.486 1.00 0.00 O ATOM 1111 OE2 GLU A 73 8.317 0.001 -11.605 1.00 0.00 O ATOM 0 H GLU A 73 4.798 -0.915 -7.463 1.00 0.00 H new ATOM 0 HA GLU A 73 5.933 -2.093 -9.753 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.774 -0.444 -7.424 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.056 -1.453 -8.063 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.294 0.276 -9.862 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.778 0.880 -9.152 1.00 0.00 H new ATOM 1118 N LYS A 74 5.822 -4.076 -7.321 1.00 0.00 N ATOM 1119 CA LYS A 74 6.156 -5.401 -6.805 1.00 0.00 C ATOM 1120 C LYS A 74 5.281 -5.691 -5.591 1.00 0.00 C ATOM 1121 O LYS A 74 5.352 -4.995 -4.580 1.00 0.00 O ATOM 1122 CB LYS A 74 7.641 -5.491 -6.417 1.00 0.00 C ATOM 1123 CG LYS A 74 8.332 -6.551 -7.281 1.00 0.00 C ATOM 1124 CD LYS A 74 9.846 -6.518 -7.032 1.00 0.00 C ATOM 1125 CE LYS A 74 10.500 -7.772 -7.623 1.00 0.00 C ATOM 1126 NZ LYS A 74 9.813 -8.152 -8.891 1.00 0.00 N ATOM 0 H LYS A 74 4.970 -3.680 -6.923 1.00 0.00 H new ATOM 0 HA LYS A 74 5.973 -6.140 -7.585 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.123 -4.523 -6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.737 -5.747 -5.362 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.937 -7.539 -7.046 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.123 -6.367 -8.335 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.278 -5.625 -7.483 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.046 -6.463 -5.962 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.557 -7.586 -7.813 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.444 -8.593 -6.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.416 -8.805 -9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.910 -8.618 -8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.633 -7.299 -9.458 1.00 0.00 H new ATOM 1140 N GLY A 75 4.443 -6.711 -5.711 1.00 0.00 N ATOM 1141 CA GLY A 75 3.532 -7.089 -4.635 1.00 0.00 C ATOM 1142 C GLY A 75 2.247 -7.678 -5.201 1.00 0.00 C ATOM 1143 O GLY A 75 1.428 -8.228 -4.463 1.00 0.00 O ATOM 0 H GLY A 75 4.374 -7.294 -6.545 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.014 -7.816 -3.982 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.300 -6.216 -4.024 1.00 0.00 H new ATOM 1147 N GLU A 76 2.083 -7.548 -6.519 1.00 0.00 N ATOM 1148 CA GLU A 76 0.900 -8.059 -7.217 1.00 0.00 C ATOM 1149 C GLU A 76 0.372 -9.354 -6.586 1.00 0.00 C ATOM 1150 O GLU A 76 -0.840 -9.535 -6.462 1.00 0.00 O ATOM 1151 CB GLU A 76 1.236 -8.319 -8.693 1.00 0.00 C ATOM 1152 CG GLU A 76 2.031 -7.139 -9.265 1.00 0.00 C ATOM 1153 CD GLU A 76 1.955 -7.146 -10.791 1.00 0.00 C ATOM 1154 OE1 GLU A 76 0.878 -6.912 -11.314 1.00 0.00 O ATOM 1155 OE2 GLU A 76 2.976 -7.391 -11.414 1.00 0.00 O ATOM 0 H GLU A 76 2.760 -7.090 -7.129 1.00 0.00 H new ATOM 0 HA GLU A 76 0.122 -7.300 -7.133 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.815 -9.238 -8.786 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.318 -8.461 -9.264 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.634 -6.201 -8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.071 -7.201 -8.945 1.00 0.00 H new ATOM 1162 N LEU A 77 1.284 -10.253 -6.199 1.00 0.00 N ATOM 1163 CA LEU A 77 0.883 -11.528 -5.592 1.00 0.00 C ATOM 1164 C LEU A 77 1.670 -11.807 -4.313 1.00 0.00 C ATOM 1165 O LEU A 77 1.108 -12.261 -3.315 1.00 0.00 O ATOM 1166 CB LEU A 77 1.126 -12.675 -6.581 1.00 0.00 C ATOM 1167 CG LEU A 77 0.419 -13.946 -6.094 1.00 0.00 C ATOM 1168 CD1 LEU A 77 -1.047 -13.922 -6.536 1.00 0.00 C ATOM 1169 CD2 LEU A 77 1.113 -15.176 -6.690 1.00 0.00 C ATOM 0 H LEU A 77 2.292 -10.125 -6.293 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.176 -11.459 -5.345 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.756 -12.399 -7.569 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.196 -12.860 -6.681 1.00 0.00 H new ATOM 0 HG LEU A 77 0.467 -13.992 -5.006 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.547 -14.826 -6.189 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.541 -13.048 -6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.098 -13.874 -7.624 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.611 -16.080 -6.344 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.067 -15.128 -7.778 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.155 -15.195 -6.372 1.00 0.00 H new ATOM 1181 N GLY A 78 2.973 -11.548 -4.358 1.00 0.00 N ATOM 1182 CA GLY A 78 3.837 -11.794 -3.206 1.00 0.00 C ATOM 1183 C GLY A 78 3.439 -10.939 -2.007 1.00 0.00 C ATOM 1184 O GLY A 78 2.946 -9.821 -2.165 1.00 0.00 O ATOM 0 H GLY A 78 3.453 -11.170 -5.175 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.788 -12.848 -2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.872 -11.583 -3.476 1.00 0.00 H new ATOM 1188 N ARG A 79 3.671 -11.474 -0.808 1.00 0.00 N ATOM 1189 CA ARG A 79 3.349 -10.755 0.422 1.00 0.00 C ATOM 1190 C ARG A 79 4.146 -9.465 0.480 1.00 0.00 C ATOM 1191 O ARG A 79 3.686 -8.467 1.035 1.00 0.00 O ATOM 1192 CB ARG A 79 3.671 -11.619 1.641 1.00 0.00 C ATOM 1193 CG ARG A 79 2.951 -12.968 1.527 1.00 0.00 C ATOM 1194 CD ARG A 79 3.952 -14.061 1.135 1.00 0.00 C ATOM 1195 NE ARG A 79 5.090 -14.056 2.047 1.00 0.00 N ATOM 1196 CZ ARG A 79 6.189 -14.756 1.785 1.00 0.00 C ATOM 1197 NH1 ARG A 79 6.751 -14.674 0.609 1.00 0.00 N ATOM 1198 NH2 ARG A 79 6.705 -15.526 2.702 1.00 0.00 N ATOM 0 H ARG A 79 4.079 -12.398 -0.664 1.00 0.00 H new ATOM 0 HA ARG A 79 2.284 -10.524 0.429 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.747 -11.776 1.713 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.362 -11.107 2.553 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.478 -13.219 2.476 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.158 -12.905 0.782 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.464 -15.035 1.157 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.295 -13.900 0.113 1.00 0.00 H new ATOM 0 HE ARG A 79 5.042 -13.504 2.903 1.00 0.00 H new ATOM 0 HH11 ARG A 79 6.347 -14.073 -0.109 1.00 0.00 H new ATOM 0 HH12 ARG A 79 7.594 -15.211 0.408 1.00 0.00 H new ATOM 0 HH21 ARG A 79 6.265 -15.591 3.620 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.548 -16.063 2.501 1.00 0.00 H new ATOM 1212 N HIS A 80 5.327 -9.476 -0.136 1.00 0.00 N ATOM 1213 CA HIS A 80 6.150 -8.280 -0.180 1.00 0.00 C ATOM 1214 C HIS A 80 5.419 -7.270 -1.045 1.00 0.00 C ATOM 1215 O HIS A 80 4.715 -7.657 -1.975 1.00 0.00 O ATOM 1216 CB HIS A 80 7.525 -8.598 -0.775 1.00 0.00 C ATOM 1217 CG HIS A 80 8.278 -7.319 -1.024 1.00 0.00 C ATOM 1218 ND1 HIS A 80 8.832 -6.574 0.006 1.00 0.00 N ATOM 1219 CD2 HIS A 80 8.572 -6.637 -2.179 1.00 0.00 C ATOM 1220 CE1 HIS A 80 9.425 -5.499 -0.545 1.00 0.00 C ATOM 1221 NE2 HIS A 80 9.297 -5.488 -1.874 1.00 0.00 N ATOM 0 H HIS A 80 5.727 -10.290 -0.604 1.00 0.00 H new ATOM 0 HA HIS A 80 6.313 -7.885 0.823 1.00 0.00 H new ATOM 0 HB2 HIS A 80 8.088 -9.236 -0.094 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.410 -9.151 -1.707 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.284 -6.945 -3.173 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.942 -4.737 0.020 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.653 -4.789 -2.525 1.00 0.00 H new ATOM 1229 N LYS A 81 5.532 -5.992 -0.724 1.00 0.00 N ATOM 1230 CA LYS A 81 4.804 -4.994 -1.482 1.00 0.00 C ATOM 1231 C LYS A 81 5.598 -3.710 -1.618 1.00 0.00 C ATOM 1232 O LYS A 81 6.436 -3.393 -0.778 1.00 0.00 O ATOM 1233 CB LYS A 81 3.487 -4.723 -0.754 1.00 0.00 C ATOM 1234 CG LYS A 81 2.631 -3.712 -1.518 1.00 0.00 C ATOM 1235 CD LYS A 81 1.160 -3.934 -1.146 1.00 0.00 C ATOM 1236 CE LYS A 81 0.458 -4.739 -2.245 1.00 0.00 C ATOM 1237 NZ LYS A 81 1.318 -5.882 -2.663 1.00 0.00 N ATOM 0 H LYS A 81 6.106 -5.629 0.037 1.00 0.00 H new ATOM 0 HA LYS A 81 4.621 -5.366 -2.490 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.935 -5.655 -0.636 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.693 -4.346 0.248 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.935 -2.695 -1.269 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.772 -3.833 -2.592 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.092 -4.464 -0.196 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.661 -2.974 -1.012 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.501 -5.108 -1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.249 -4.097 -3.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.796 -6.482 -3.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.179 -5.520 -3.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.579 -6.443 -1.828 1.00 0.00 H new ATOM 1251 N GLN A 82 5.306 -2.971 -2.681 1.00 0.00 N ATOM 1252 CA GLN A 82 5.959 -1.698 -2.932 1.00 0.00 C ATOM 1253 C GLN A 82 5.129 -0.930 -3.943 1.00 0.00 C ATOM 1254 O GLN A 82 5.444 -0.893 -5.134 1.00 0.00 O ATOM 1255 CB GLN A 82 7.403 -1.874 -3.433 1.00 0.00 C ATOM 1256 CG GLN A 82 7.577 -3.229 -4.115 1.00 0.00 C ATOM 1257 CD GLN A 82 9.035 -3.415 -4.534 1.00 0.00 C ATOM 1258 OE1 GLN A 82 9.607 -4.488 -4.337 1.00 0.00 O ATOM 1259 NE2 GLN A 82 9.678 -2.429 -5.104 1.00 0.00 N ATOM 0 H GLN A 82 4.617 -3.236 -3.385 1.00 0.00 H new ATOM 0 HA GLN A 82 6.026 -1.144 -1.995 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.650 -1.075 -4.132 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.096 -1.791 -2.596 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.279 -4.029 -3.437 1.00 0.00 H new ATOM 0 HG3 GLN A 82 6.927 -3.293 -4.988 1.00 0.00 H new ATOM 0 HE21 GLN A 82 9.206 -1.540 -5.268 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.651 -2.549 -5.385 1.00 0.00 H new ATOM 1268 N ILE A 83 4.048 -0.331 -3.453 1.00 0.00 N ATOM 1269 CA ILE A 83 3.153 0.423 -4.310 1.00 0.00 C ATOM 1270 C ILE A 83 3.734 1.802 -4.556 1.00 0.00 C ATOM 1271 O ILE A 83 4.512 2.313 -3.752 1.00 0.00 O ATOM 1272 CB ILE A 83 1.769 0.547 -3.655 1.00 0.00 C ATOM 1273 CG1 ILE A 83 1.272 -0.840 -3.230 1.00 0.00 C ATOM 1274 CG2 ILE A 83 0.775 1.153 -4.650 1.00 0.00 C ATOM 1275 CD1 ILE A 83 0.008 -0.696 -2.377 1.00 0.00 C ATOM 0 H ILE A 83 3.775 -0.355 -2.470 1.00 0.00 H new ATOM 0 HA ILE A 83 3.043 -0.100 -5.260 1.00 0.00 H new ATOM 0 HB ILE A 83 1.848 1.192 -2.780 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.061 -1.447 -4.110 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.047 -1.357 -2.665 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.205 1.238 -4.180 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.120 2.142 -4.952 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.701 0.511 -5.528 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.343 -1.683 -2.077 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.234 -0.105 -1.489 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.768 -0.197 -2.957 1.00 0.00 H new ATOM 1287 N LYS A 84 3.367 2.386 -5.681 1.00 0.00 N ATOM 1288 CA LYS A 84 3.866 3.697 -6.051 1.00 0.00 C ATOM 1289 C LYS A 84 2.706 4.668 -6.212 1.00 0.00 C ATOM 1290 O LYS A 84 1.905 4.532 -7.130 1.00 0.00 O ATOM 1291 CB LYS A 84 4.656 3.570 -7.360 1.00 0.00 C ATOM 1292 CG LYS A 84 4.903 4.947 -7.981 1.00 0.00 C ATOM 1293 CD LYS A 84 5.740 5.806 -7.029 1.00 0.00 C ATOM 1294 CE LYS A 84 4.936 7.035 -6.593 1.00 0.00 C ATOM 1295 NZ LYS A 84 5.846 8.210 -6.508 1.00 0.00 N ATOM 0 H LYS A 84 2.724 1.972 -6.356 1.00 0.00 H new ATOM 0 HA LYS A 84 4.522 4.083 -5.271 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.609 3.076 -7.169 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.107 2.943 -8.062 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.419 4.838 -8.935 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.952 5.438 -8.187 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.029 5.221 -6.156 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.661 6.119 -7.522 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.134 7.231 -7.305 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.466 6.853 -5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.297 9.084 -6.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.309 8.224 -5.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.569 8.144 -7.253 1.00 0.00 H new ATOM 1309 N ILE A 85 2.623 5.641 -5.305 1.00 0.00 N ATOM 1310 CA ILE A 85 1.554 6.636 -5.345 1.00 0.00 C ATOM 1311 C ILE A 85 2.068 7.938 -5.960 1.00 0.00 C ATOM 1312 O ILE A 85 2.775 8.710 -5.309 1.00 0.00 O ATOM 1313 CB ILE A 85 1.023 6.892 -3.921 1.00 0.00 C ATOM 1314 CG1 ILE A 85 -0.019 5.823 -3.552 1.00 0.00 C ATOM 1315 CG2 ILE A 85 0.358 8.274 -3.854 1.00 0.00 C ATOM 1316 CD1 ILE A 85 0.538 4.421 -3.822 1.00 0.00 C ATOM 0 H ILE A 85 3.282 5.761 -4.536 1.00 0.00 H new ATOM 0 HA ILE A 85 0.740 6.257 -5.963 1.00 0.00 H new ATOM 0 HB ILE A 85 1.859 6.849 -3.223 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.290 5.918 -2.501 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.929 5.978 -4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.015 8.450 -2.845 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.088 9.042 -4.109 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.472 8.313 -4.560 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.211 3.675 -3.556 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.786 4.325 -4.879 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.435 4.264 -3.223 1.00 0.00 H new ATOM 1328 N ILE A 86 1.713 8.169 -7.223 1.00 0.00 N ATOM 1329 CA ILE A 86 2.143 9.375 -7.929 1.00 0.00 C ATOM 1330 C ILE A 86 1.181 10.530 -7.653 1.00 0.00 C ATOM 1331 O ILE A 86 0.005 10.305 -7.365 1.00 0.00 O ATOM 1332 CB ILE A 86 2.194 9.107 -9.438 1.00 0.00 C ATOM 1333 CG1 ILE A 86 3.046 7.861 -9.711 1.00 0.00 C ATOM 1334 CG2 ILE A 86 2.802 10.318 -10.154 1.00 0.00 C ATOM 1335 CD1 ILE A 86 2.944 7.475 -11.189 1.00 0.00 C ATOM 0 H ILE A 86 1.131 7.540 -7.776 1.00 0.00 H new ATOM 0 HA ILE A 86 3.136 9.647 -7.571 1.00 0.00 H new ATOM 0 HB ILE A 86 1.184 8.939 -9.811 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.086 8.056 -9.448 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.708 7.034 -9.086 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.838 10.126 -11.226 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.189 11.199 -9.963 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.812 10.491 -9.782 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.551 6.589 -11.377 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.905 7.262 -11.438 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.303 8.299 -11.806 1.00 0.00 H new ATOM 1347 N ASN A 87 1.690 11.761 -7.749 1.00 0.00 N ATOM 1348 CA ASN A 87 0.866 12.952 -7.514 1.00 0.00 C ATOM 1349 C ASN A 87 -0.083 12.729 -6.333 1.00 0.00 C ATOM 1350 O ASN A 87 -1.263 12.426 -6.519 1.00 0.00 O ATOM 1351 CB ASN A 87 0.060 13.284 -8.777 1.00 0.00 C ATOM 1352 CG ASN A 87 0.980 13.830 -9.866 1.00 0.00 C ATOM 1353 OD1 ASN A 87 2.204 13.709 -9.772 1.00 0.00 O ATOM 1354 ND2 ASN A 87 0.462 14.427 -10.906 1.00 0.00 N ATOM 0 H ASN A 87 2.662 11.960 -7.986 1.00 0.00 H new ATOM 0 HA ASN A 87 1.524 13.788 -7.275 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -0.449 12.390 -9.137 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -0.711 14.017 -8.542 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.069 14.793 -11.639 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -0.550 14.528 -10.985 1.00 0.00 H new ATOM 1361 N PRO A 88 0.417 12.860 -5.128 1.00 0.00 N ATOM 1362 CA PRO A 88 -0.386 12.656 -3.889 1.00 0.00 C ATOM 1363 C PRO A 88 -1.326 13.823 -3.599 1.00 0.00 C ATOM 1364 O PRO A 88 -1.001 14.979 -3.872 1.00 0.00 O ATOM 1365 CB PRO A 88 0.660 12.514 -2.771 1.00 0.00 C ATOM 1366 CG PRO A 88 2.010 12.637 -3.418 1.00 0.00 C ATOM 1367 CD PRO A 88 1.800 13.221 -4.812 1.00 0.00 C ATOM 0 HA PRO A 88 -1.035 11.785 -3.981 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.523 13.286 -2.014 1.00 0.00 H new ATOM 0 HB3 PRO A 88 0.559 11.552 -2.268 1.00 0.00 H new ATOM 0 HG2 PRO A 88 2.661 13.281 -2.827 1.00 0.00 H new ATOM 0 HG3 PRO A 88 2.496 11.663 -3.480 1.00 0.00 H new ATOM 0 HD2 PRO A 88 1.945 14.301 -4.821 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.500 12.800 -5.534 1.00 0.00 H new ATOM 1375 N GLN A 89 -2.487 13.502 -3.031 1.00 0.00 N ATOM 1376 CA GLN A 89 -3.480 14.516 -2.685 1.00 0.00 C ATOM 1377 C GLN A 89 -3.829 14.422 -1.201 1.00 0.00 C ATOM 1378 O GLN A 89 -4.192 15.418 -0.574 1.00 0.00 O ATOM 1379 CB GLN A 89 -4.753 14.318 -3.517 1.00 0.00 C ATOM 1380 CG GLN A 89 -4.410 14.326 -5.010 1.00 0.00 C ATOM 1381 CD GLN A 89 -4.063 15.741 -5.461 1.00 0.00 C ATOM 1382 OE1 GLN A 89 -4.940 16.601 -5.545 1.00 0.00 O ATOM 1383 NE2 GLN A 89 -2.827 16.035 -5.760 1.00 0.00 N ATOM 0 H GLN A 89 -2.763 12.547 -2.801 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.059 15.499 -2.898 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.229 13.374 -3.250 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -5.469 15.110 -3.296 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -3.570 13.659 -5.201 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -5.254 13.949 -5.587 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -2.102 15.321 -5.690 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -2.586 16.979 -6.064 1.00 0.00 H new ATOM 1392 N GLN A 90 -3.716 13.215 -0.650 1.00 0.00 N ATOM 1393 CA GLN A 90 -4.019 12.982 0.757 1.00 0.00 C ATOM 1394 C GLN A 90 -3.107 11.892 1.318 1.00 0.00 C ATOM 1395 O GLN A 90 -3.146 10.747 0.868 1.00 0.00 O ATOM 1396 CB GLN A 90 -5.488 12.561 0.904 1.00 0.00 C ATOM 1397 CG GLN A 90 -5.726 11.966 2.296 1.00 0.00 C ATOM 1398 CD GLN A 90 -7.221 11.915 2.596 1.00 0.00 C ATOM 1399 OE1 GLN A 90 -7.874 12.955 2.693 1.00 0.00 O ATOM 1400 NE2 GLN A 90 -7.807 10.758 2.752 1.00 0.00 N ATOM 0 H GLN A 90 -3.416 12.383 -1.159 1.00 0.00 H new ATOM 0 HA GLN A 90 -3.850 13.903 1.315 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.139 13.422 0.751 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.743 11.829 0.138 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -5.302 10.963 2.349 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.216 12.567 3.049 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.266 9.897 2.672 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.806 10.715 2.954 1.00 0.00 H new ATOM 1409 N ILE A 91 -2.288 12.259 2.301 1.00 0.00 N ATOM 1410 CA ILE A 91 -1.367 11.305 2.921 1.00 0.00 C ATOM 1411 C ILE A 91 -1.744 11.067 4.390 1.00 0.00 C ATOM 1412 O ILE A 91 -1.771 12.001 5.191 1.00 0.00 O ATOM 1413 CB ILE A 91 0.078 11.822 2.823 1.00 0.00 C ATOM 1414 CG1 ILE A 91 1.011 10.901 3.623 1.00 0.00 C ATOM 1415 CG2 ILE A 91 0.172 13.250 3.381 1.00 0.00 C ATOM 1416 CD1 ILE A 91 2.393 10.865 2.964 1.00 0.00 C ATOM 0 H ILE A 91 -2.242 13.203 2.684 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.441 10.358 2.387 1.00 0.00 H new ATOM 0 HB ILE A 91 0.378 11.829 1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.096 11.257 4.650 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.593 9.895 3.668 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.200 13.603 3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.481 13.908 2.808 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.137 13.253 4.426 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.051 10.210 3.535 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.301 10.488 1.945 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.812 11.871 2.942 1.00 0.00 H new ATOM 1428 N PRO A 92 -2.040 9.836 4.749 1.00 0.00 N ATOM 1429 CA PRO A 92 -2.425 9.479 6.147 1.00 0.00 C ATOM 1430 C PRO A 92 -1.310 9.787 7.156 1.00 0.00 C ATOM 1431 O PRO A 92 -0.129 9.589 6.870 1.00 0.00 O ATOM 1432 CB PRO A 92 -2.728 7.974 6.111 1.00 0.00 C ATOM 1433 CG PRO A 92 -2.518 7.497 4.707 1.00 0.00 C ATOM 1434 CD PRO A 92 -2.038 8.671 3.852 1.00 0.00 C ATOM 0 HA PRO A 92 -3.282 10.067 6.476 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.075 7.437 6.799 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.753 7.783 6.430 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -1.784 6.692 4.688 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.446 7.091 4.304 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.041 8.484 3.453 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -2.698 8.831 2.999 1.00 0.00 H new ATOM 1442 N PRO A 93 -1.674 10.270 8.325 1.00 0.00 N ATOM 1443 CA PRO A 93 -0.702 10.624 9.405 1.00 0.00 C ATOM 1444 C PRO A 93 0.288 9.498 9.697 1.00 0.00 C ATOM 1445 O PRO A 93 1.445 9.747 10.041 1.00 0.00 O ATOM 1446 CB PRO A 93 -1.569 10.890 10.645 1.00 0.00 C ATOM 1447 CG PRO A 93 -2.996 10.670 10.250 1.00 0.00 C ATOM 1448 CD PRO A 93 -3.058 10.535 8.731 1.00 0.00 C ATOM 0 HA PRO A 93 -0.096 11.481 9.110 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.289 10.222 11.459 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.423 11.909 11.004 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.388 9.772 10.727 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.615 11.503 10.583 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.721 9.723 8.432 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.440 11.445 8.268 1.00 0.00 H new ATOM 1456 N GLU A 94 -0.182 8.263 9.569 1.00 0.00 N ATOM 1457 CA GLU A 94 0.653 7.096 9.831 1.00 0.00 C ATOM 1458 C GLU A 94 1.951 7.158 9.032 1.00 0.00 C ATOM 1459 O GLU A 94 3.042 7.067 9.594 1.00 0.00 O ATOM 1460 CB GLU A 94 -0.112 5.832 9.450 1.00 0.00 C ATOM 1461 CG GLU A 94 0.549 4.611 10.096 1.00 0.00 C ATOM 1462 CD GLU A 94 0.228 4.567 11.588 1.00 0.00 C ATOM 1463 OE1 GLU A 94 -0.853 4.115 11.930 1.00 0.00 O ATOM 1464 OE2 GLU A 94 1.068 4.985 12.369 1.00 0.00 O ATOM 0 H GLU A 94 -1.137 8.043 9.285 1.00 0.00 H new ATOM 0 HA GLU A 94 0.901 7.082 10.892 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.149 5.911 9.777 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.127 5.718 8.366 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.197 3.699 9.613 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.628 4.652 9.950 1.00 0.00 H new ATOM 1471 N VAL A 95 1.824 7.317 7.718 1.00 0.00 N ATOM 1472 CA VAL A 95 2.992 7.394 6.849 1.00 0.00 C ATOM 1473 C VAL A 95 3.690 8.729 7.056 1.00 0.00 C ATOM 1474 O VAL A 95 4.864 8.893 6.721 1.00 0.00 O ATOM 1475 CB VAL A 95 2.571 7.250 5.381 1.00 0.00 C ATOM 1476 CG1 VAL A 95 3.817 7.081 4.504 1.00 0.00 C ATOM 1477 CG2 VAL A 95 1.671 6.020 5.223 1.00 0.00 C ATOM 0 H VAL A 95 0.929 7.395 7.234 1.00 0.00 H new ATOM 0 HA VAL A 95 3.676 6.583 7.098 1.00 0.00 H new ATOM 0 HB VAL A 95 2.026 8.143 5.074 1.00 0.00 H new ATOM 0 HG11 VAL A 95 3.517 6.979 3.461 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.460 7.955 4.613 1.00 0.00 H new ATOM 0 HG13 VAL A 95 4.362 6.189 4.814 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.373 5.919 4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.216 5.128 5.533 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.783 6.137 5.844 1.00 0.00 H new ATOM 1487 N ALA A 96 2.949 9.678 7.615 1.00 0.00 N ATOM 1488 CA ALA A 96 3.484 11.007 7.876 1.00 0.00 C ATOM 1489 C ALA A 96 4.422 10.987 9.079 1.00 0.00 C ATOM 1490 O ALA A 96 5.308 11.831 9.198 1.00 0.00 O ATOM 1491 CB ALA A 96 2.340 11.991 8.133 1.00 0.00 C ATOM 0 H ALA A 96 1.977 9.551 7.896 1.00 0.00 H new ATOM 0 HA ALA A 96 4.048 11.326 6.999 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.749 12.982 8.327 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.691 12.031 7.258 1.00 0.00 H new ATOM 0 HB3 ALA A 96 1.763 11.661 8.997 1.00 0.00 H new ATOM 1497 N ALA A 97 4.217 10.020 9.971 1.00 0.00 N ATOM 1498 CA ALA A 97 5.050 9.903 11.166 1.00 0.00 C ATOM 1499 C ALA A 97 6.505 9.635 10.791 1.00 0.00 C ATOM 1500 O ALA A 97 7.421 9.975 11.543 1.00 0.00 O ATOM 1501 CB ALA A 97 4.532 8.768 12.052 1.00 0.00 C ATOM 0 H ALA A 97 3.488 9.312 9.891 1.00 0.00 H new ATOM 0 HA ALA A 97 5.000 10.845 11.711 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.157 8.686 12.941 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.505 8.978 12.349 1.00 0.00 H new ATOM 0 HB3 ALA A 97 4.565 7.830 11.498 1.00 0.00 H new ATOM 1507 N LEU A 98 6.713 9.030 9.623 1.00 0.00 N ATOM 1508 CA LEU A 98 8.063 8.725 9.156 1.00 0.00 C ATOM 1509 C LEU A 98 8.573 9.831 8.236 1.00 0.00 C ATOM 1510 O LEU A 98 9.754 9.868 7.889 1.00 0.00 O ATOM 1511 CB LEU A 98 8.074 7.389 8.401 1.00 0.00 C ATOM 1512 CG LEU A 98 7.264 6.342 9.173 1.00 0.00 C ATOM 1513 CD1 LEU A 98 7.264 5.022 8.397 1.00 0.00 C ATOM 1514 CD2 LEU A 98 7.887 6.122 10.555 1.00 0.00 C ATOM 0 H LEU A 98 5.969 8.743 8.987 1.00 0.00 H new ATOM 0 HA LEU A 98 8.717 8.655 10.025 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.654 7.522 7.404 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.100 7.044 8.272 1.00 0.00 H new ATOM 0 HG LEU A 98 6.240 6.695 9.292 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.688 4.277 8.946 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.815 5.177 7.416 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.289 4.671 8.276 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.308 5.377 11.101 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.913 5.772 10.440 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.884 7.061 11.109 1.00 0.00 H new ATOM 1526 N ILE A 99 7.670 10.726 7.840 1.00 0.00 N ATOM 1527 CA ILE A 99 8.030 11.829 6.953 1.00 0.00 C ATOM 1528 C ILE A 99 8.176 13.135 7.736 1.00 0.00 C ATOM 1529 O ILE A 99 8.970 14.002 7.368 1.00 0.00 O ATOM 1530 CB ILE A 99 6.962 11.986 5.863 1.00 0.00 C ATOM 1531 CG1 ILE A 99 6.927 10.716 5.002 1.00 0.00 C ATOM 1532 CG2 ILE A 99 7.300 13.192 4.979 1.00 0.00 C ATOM 1533 CD1 ILE A 99 5.720 10.759 4.063 1.00 0.00 C ATOM 0 H ILE A 99 6.689 10.709 8.118 1.00 0.00 H new ATOM 0 HA ILE A 99 8.990 11.601 6.490 1.00 0.00 H new ATOM 0 HB ILE A 99 5.989 12.142 6.328 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.847 10.633 4.423 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.871 9.834 5.640 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.540 13.301 4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.328 14.094 5.590 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.273 13.040 4.512 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.700 9.855 3.454 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.804 10.821 4.651 1.00 0.00 H new ATOM 0 HD13 ILE A 99 5.795 11.632 3.414 1.00 0.00 H new ATOM 1545 N ASN A 100 7.405 13.271 8.815 1.00 0.00 N ATOM 1546 CA ASN A 100 7.455 14.479 9.637 1.00 0.00 C ATOM 1547 C ASN A 100 8.679 14.464 10.550 1.00 0.00 C ATOM 1548 O ASN A 100 9.349 15.483 10.713 1.00 0.00 O ATOM 1549 CB ASN A 100 6.187 14.589 10.489 1.00 0.00 C ATOM 1550 CG ASN A 100 5.840 16.055 10.735 1.00 0.00 C ATOM 1551 OD1 ASN A 100 5.658 16.467 11.881 1.00 0.00 O ATOM 1552 ND2 ASN A 100 5.737 16.872 9.724 1.00 0.00 N ATOM 0 H ASN A 100 6.743 12.565 9.138 1.00 0.00 H new ATOM 0 HA ASN A 100 7.523 15.339 8.971 1.00 0.00 H new ATOM 0 HB2 ASN A 100 5.358 14.091 9.986 1.00 0.00 H new ATOM 0 HB3 ASN A 100 6.335 14.078 11.441 1.00 0.00 H new ATOM 0 HD21 ASN A 100 5.506 17.853 9.882 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.888 16.530 8.775 1.00 0.00 H new