USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 628 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 56 ASN : amide:sc= 0.00507 K(o=0.13,f=-2.3!) USER MOD Set 1.2: A 58 SER OG : rot 180:sc= 0.12 USER MOD Set 2.1: A 41 MET CE :methyl 165:sc= -0.0486 (180deg=-0.229) USER MOD Set 2.2: A 49 MET CE :methyl -176:sc= -2.95 (180deg=-3.04) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl -152:sc= -0.99! (180deg=-3.09!) USER MOD Single : A 18 THR OG1 : rot 71:sc= 0.972 USER MOD Single : A 19 TYR OH : rot 4:sc= 1.21 USER MOD Single : A 26 SER OG : rot 79:sc= -1.27! USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= -0.105 K(o=-0.1,f=-2!) USER MOD Single : A 33 MET CE :methyl -156:sc= -0.0248 (180deg=-1.19) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0.189 USER MOD Single : A 47 LYS NZ :NH3+ 144:sc= 0.451 (180deg=-0.755!) USER MOD Single : A 48 LYS NZ :NH3+ -125:sc= 0.115 (180deg=0) USER MOD Single : A 55 MET CE :methyl 147:sc= -0.566 (180deg=-2.61!) USER MOD Single : A 62 THR OG1 : rot 50:sc= 1.31 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.627 USER MOD Single : A 69 LYS NZ :NH3+ -173:sc= 0.828 (180deg=0.699) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0517) USER MOD Single : A 80 THR OG1 : rot -80:sc= -0.484 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N ASN A 14 11.642 -0.654 -0.639 1.00 0.88 N ATOM 50 CA ASN A 14 10.680 -0.166 0.334 1.00 0.81 C ATOM 51 C ASN A 14 9.291 -0.102 -0.287 1.00 0.64 C ATOM 52 O ASN A 14 8.312 -0.548 0.315 1.00 0.66 O ATOM 53 CB ASN A 14 11.093 1.218 0.845 1.00 0.96 C ATOM 54 CG ASN A 14 10.249 1.680 2.019 1.00 1.62 C ATOM 55 OD1 ASN A 14 9.254 2.374 1.841 1.00 2.24 O ATOM 56 ND2 ASN A 14 10.646 1.315 3.230 1.00 2.24 N ATOM 0 HA ASN A 14 10.658 -0.857 1.177 1.00 0.81 H new ATOM 0 HB2 ASN A 14 12.141 1.194 1.143 1.00 0.96 H new ATOM 0 HB3 ASN A 14 11.008 1.941 0.034 1.00 0.96 H new ATOM 0 HD21 ASN A 14 10.118 1.612 4.051 1.00 2.24 H new ATOM 0 HD22 ASN A 14 11.479 0.737 3.341 1.00 2.24 H new ATOM 63 N LEU A 15 9.210 0.432 -1.500 1.00 0.56 N ATOM 64 CA LEU A 15 7.937 0.533 -2.202 1.00 0.48 C ATOM 65 C LEU A 15 7.374 -0.862 -2.463 1.00 0.37 C ATOM 66 O LEU A 15 6.166 -1.096 -2.345 1.00 0.33 O ATOM 67 CB LEU A 15 8.116 1.281 -3.524 1.00 0.58 C ATOM 68 CG LEU A 15 7.005 2.279 -3.868 1.00 0.65 C ATOM 69 CD1 LEU A 15 7.563 3.415 -4.713 1.00 0.91 C ATOM 70 CD2 LEU A 15 5.866 1.583 -4.596 1.00 0.60 C ATOM 0 H LEU A 15 10.009 0.801 -2.016 1.00 0.56 H new ATOM 0 HA LEU A 15 7.237 1.089 -1.579 1.00 0.48 H new ATOM 0 HB2 LEU A 15 9.065 1.816 -3.494 1.00 0.58 H new ATOM 0 HB3 LEU A 15 8.187 0.550 -4.329 1.00 0.58 H new ATOM 0 HG LEU A 15 6.612 2.695 -2.940 1.00 0.65 H new ATOM 0 HD11 LEU A 15 6.764 4.118 -4.951 1.00 0.91 H new ATOM 0 HD12 LEU A 15 8.346 3.931 -4.158 1.00 0.91 H new ATOM 0 HD13 LEU A 15 7.978 3.011 -5.636 1.00 0.91 H new ATOM 0 HD21 LEU A 15 5.087 2.309 -4.831 1.00 0.60 H new ATOM 0 HD22 LEU A 15 6.241 1.141 -5.519 1.00 0.60 H new ATOM 0 HD23 LEU A 15 5.452 0.800 -3.960 1.00 0.60 H new ATOM 82 N ARG A 16 8.262 -1.796 -2.785 1.00 0.36 N ATOM 83 CA ARG A 16 7.856 -3.163 -3.033 1.00 0.33 C ATOM 84 C ARG A 16 7.368 -3.804 -1.742 1.00 0.27 C ATOM 85 O ARG A 16 6.384 -4.531 -1.745 1.00 0.28 O ATOM 86 CB ARG A 16 9.003 -3.973 -3.614 1.00 0.40 C ATOM 87 CG ARG A 16 8.534 -5.146 -4.457 1.00 0.65 C ATOM 88 CD ARG A 16 8.843 -6.475 -3.785 1.00 1.29 C ATOM 89 NE ARG A 16 9.665 -7.351 -4.622 1.00 2.05 N ATOM 90 CZ ARG A 16 9.257 -8.534 -5.079 1.00 2.78 C ATOM 91 NH1 ARG A 16 8.061 -9.002 -4.738 1.00 3.11 N ATOM 92 NH2 ARG A 16 10.050 -9.260 -5.855 1.00 3.67 N ATOM 0 H ARG A 16 9.263 -1.626 -2.879 1.00 0.36 H new ATOM 0 HA ARG A 16 7.043 -3.152 -3.758 1.00 0.33 H new ATOM 0 HB2 ARG A 16 9.628 -3.321 -4.224 1.00 0.40 H new ATOM 0 HB3 ARG A 16 9.627 -4.344 -2.801 1.00 0.40 H new ATOM 0 HG2 ARG A 16 7.461 -5.065 -4.629 1.00 0.65 H new ATOM 0 HG3 ARG A 16 9.017 -5.110 -5.433 1.00 0.65 H new ATOM 0 HD2 ARG A 16 9.359 -6.290 -2.843 1.00 1.29 H new ATOM 0 HD3 ARG A 16 7.909 -6.982 -3.543 1.00 1.29 H new ATOM 0 HE ARG A 16 10.604 -7.038 -4.869 1.00 2.05 H new ATOM 0 HH11 ARG A 16 7.455 -8.455 -4.126 1.00 3.11 H new ATOM 0 HH12 ARG A 16 7.749 -9.908 -5.088 1.00 3.11 H new ATOM 0 HH21 ARG A 16 10.976 -8.913 -6.104 1.00 3.67 H new ATOM 0 HH22 ARG A 16 9.734 -10.165 -6.203 1.00 3.67 H new ATOM 106 N MET A 17 8.053 -3.515 -0.638 1.00 0.28 N ATOM 107 CA MET A 17 7.667 -4.055 0.660 1.00 0.32 C ATOM 108 C MET A 17 6.266 -3.570 1.031 1.00 0.25 C ATOM 109 O MET A 17 5.431 -4.334 1.530 1.00 0.27 O ATOM 110 CB MET A 17 8.668 -3.630 1.735 1.00 0.45 C ATOM 111 CG MET A 17 8.438 -4.296 3.080 1.00 0.81 C ATOM 112 SD MET A 17 7.732 -3.172 4.306 1.00 1.96 S ATOM 113 CE MET A 17 8.672 -1.678 3.992 1.00 2.93 C ATOM 0 H MET A 17 8.875 -2.912 -0.618 1.00 0.28 H new ATOM 0 HA MET A 17 7.664 -5.143 0.598 1.00 0.32 H new ATOM 0 HB2 MET A 17 9.676 -3.862 1.392 1.00 0.45 H new ATOM 0 HB3 MET A 17 8.615 -2.549 1.861 1.00 0.45 H new ATOM 0 HG2 MET A 17 7.772 -5.148 2.949 1.00 0.81 H new ATOM 0 HG3 MET A 17 9.385 -4.686 3.454 1.00 0.81 H new ATOM 0 HE1 MET A 17 8.739 -1.091 4.908 1.00 2.93 H new ATOM 0 HE2 MET A 17 9.675 -1.943 3.657 1.00 2.93 H new ATOM 0 HE3 MET A 17 8.175 -1.091 3.220 1.00 2.93 H new ATOM 123 N THR A 18 6.019 -2.295 0.748 1.00 0.21 N ATOM 124 CA THR A 18 4.728 -1.677 1.003 1.00 0.20 C ATOM 125 C THR A 18 3.659 -2.341 0.144 1.00 0.19 C ATOM 126 O THR A 18 2.573 -2.658 0.620 1.00 0.23 O ATOM 127 CB THR A 18 4.769 -0.162 0.690 1.00 0.27 C ATOM 128 OG1 THR A 18 5.959 0.427 1.246 1.00 0.38 O ATOM 129 CG2 THR A 18 3.536 0.556 1.230 1.00 0.30 C ATOM 0 H THR A 18 6.708 -1.665 0.337 1.00 0.21 H new ATOM 0 HA THR A 18 4.489 -1.809 2.058 1.00 0.20 H new ATOM 0 HB THR A 18 4.778 -0.048 -0.394 1.00 0.27 H new ATOM 0 HG1 THR A 18 6.741 0.125 0.739 1.00 0.38 H new ATOM 0 HG21 THR A 18 3.600 1.618 0.992 1.00 0.30 H new ATOM 0 HG22 THR A 18 2.640 0.135 0.773 1.00 0.30 H new ATOM 0 HG23 THR A 18 3.486 0.429 2.311 1.00 0.30 H new ATOM 137 N TYR A 19 3.982 -2.560 -1.127 1.00 0.21 N ATOM 138 CA TYR A 19 3.056 -3.190 -2.056 1.00 0.28 C ATOM 139 C TYR A 19 2.799 -4.643 -1.656 1.00 0.31 C ATOM 140 O TYR A 19 1.667 -5.122 -1.706 1.00 0.36 O ATOM 141 CB TYR A 19 3.614 -3.115 -3.481 1.00 0.35 C ATOM 142 CG TYR A 19 2.737 -3.773 -4.527 1.00 0.36 C ATOM 143 CD1 TYR A 19 1.699 -3.071 -5.125 1.00 0.32 C ATOM 144 CD2 TYR A 19 2.955 -5.087 -4.917 1.00 0.52 C ATOM 145 CE1 TYR A 19 0.902 -3.658 -6.085 1.00 0.39 C ATOM 146 CE2 TYR A 19 2.156 -5.682 -5.877 1.00 0.59 C ATOM 147 CZ TYR A 19 1.126 -4.995 -6.430 1.00 0.52 C ATOM 148 OH TYR A 19 0.346 -5.550 -7.417 1.00 0.61 O ATOM 0 H TYR A 19 4.882 -2.309 -1.536 1.00 0.21 H new ATOM 0 HA TYR A 19 2.107 -2.656 -2.022 1.00 0.28 H new ATOM 0 HB2 TYR A 19 3.756 -2.068 -3.749 1.00 0.35 H new ATOM 0 HB3 TYR A 19 4.597 -3.585 -3.499 1.00 0.35 H new ATOM 0 HD1 TYR A 19 1.513 -2.048 -4.833 1.00 0.32 H new ATOM 0 HD2 TYR A 19 3.758 -5.652 -4.466 1.00 0.52 H new ATOM 0 HE1 TYR A 19 0.116 -3.093 -6.564 1.00 0.39 H new ATOM 0 HE2 TYR A 19 2.353 -6.698 -6.187 1.00 0.59 H new ATOM 0 HH TYR A 19 -0.247 -4.865 -7.789 1.00 0.61 H new ATOM 158 N GLU A 20 3.857 -5.337 -1.257 1.00 0.32 N ATOM 159 CA GLU A 20 3.759 -6.731 -0.849 1.00 0.40 C ATOM 160 C GLU A 20 2.863 -6.878 0.375 1.00 0.35 C ATOM 161 O GLU A 20 1.989 -7.745 0.414 1.00 0.35 O ATOM 162 CB GLU A 20 5.146 -7.290 -0.544 1.00 0.51 C ATOM 163 CG GLU A 20 5.928 -7.714 -1.774 1.00 1.21 C ATOM 164 CD GLU A 20 6.344 -9.165 -1.716 1.00 1.65 C ATOM 165 OE1 GLU A 20 7.026 -9.556 -0.742 1.00 2.35 O ATOM 166 OE2 GLU A 20 5.991 -9.923 -2.642 1.00 1.93 O ATOM 0 H GLU A 20 4.800 -4.952 -1.207 1.00 0.32 H new ATOM 0 HA GLU A 20 3.317 -7.294 -1.671 1.00 0.40 H new ATOM 0 HB2 GLU A 20 5.719 -6.536 -0.004 1.00 0.51 H new ATOM 0 HB3 GLU A 20 5.042 -8.148 0.121 1.00 0.51 H new ATOM 0 HG2 GLU A 20 5.320 -7.548 -2.663 1.00 1.21 H new ATOM 0 HG3 GLU A 20 6.815 -7.088 -1.872 1.00 1.21 H new ATOM 173 N ARG A 21 3.074 -6.025 1.369 1.00 0.33 N ATOM 174 CA ARG A 21 2.270 -6.070 2.580 1.00 0.32 C ATOM 175 C ARG A 21 0.814 -5.741 2.273 1.00 0.26 C ATOM 176 O ARG A 21 -0.094 -6.297 2.881 1.00 0.29 O ATOM 177 CB ARG A 21 2.808 -5.094 3.620 1.00 0.34 C ATOM 178 CG ARG A 21 2.472 -5.480 5.046 1.00 0.48 C ATOM 179 CD ARG A 21 3.731 -5.713 5.864 1.00 0.87 C ATOM 180 NE ARG A 21 3.981 -4.627 6.808 1.00 1.73 N ATOM 181 CZ ARG A 21 5.192 -4.278 7.238 1.00 2.60 C ATOM 182 NH1 ARG A 21 6.268 -4.913 6.784 1.00 2.99 N ATOM 183 NH2 ARG A 21 5.328 -3.296 8.118 1.00 3.57 N ATOM 0 H ARG A 21 3.790 -5.299 1.360 1.00 0.33 H new ATOM 0 HA ARG A 21 2.327 -7.082 2.981 1.00 0.32 H new ATOM 0 HB2 ARG A 21 3.891 -5.026 3.516 1.00 0.34 H new ATOM 0 HB3 ARG A 21 2.406 -4.102 3.417 1.00 0.34 H new ATOM 0 HG2 ARG A 21 1.876 -4.693 5.508 1.00 0.48 H new ATOM 0 HG3 ARG A 21 1.862 -6.384 5.047 1.00 0.48 H new ATOM 0 HD2 ARG A 21 3.640 -6.653 6.409 1.00 0.87 H new ATOM 0 HD3 ARG A 21 4.585 -5.814 5.194 1.00 0.87 H new ATOM 0 HE ARG A 21 3.179 -4.104 7.159 1.00 1.73 H new ATOM 0 HH11 ARG A 21 6.166 -5.668 6.106 1.00 2.99 H new ATOM 0 HH12 ARG A 21 7.195 -4.645 7.114 1.00 2.99 H new ATOM 0 HH21 ARG A 21 4.504 -2.806 8.467 1.00 3.57 H new ATOM 0 HH22 ARG A 21 6.256 -3.030 8.446 1.00 3.57 H new ATOM 197 N LEU A 22 0.598 -4.842 1.320 1.00 0.22 N ATOM 198 CA LEU A 22 -0.750 -4.457 0.940 1.00 0.20 C ATOM 199 C LEU A 22 -1.432 -5.577 0.167 1.00 0.23 C ATOM 200 O LEU A 22 -2.610 -5.848 0.372 1.00 0.24 O ATOM 201 CB LEU A 22 -0.704 -3.191 0.080 1.00 0.22 C ATOM 202 CG LEU A 22 -0.744 -1.869 0.838 1.00 0.24 C ATOM 203 CD1 LEU A 22 0.045 -0.810 0.086 1.00 0.27 C ATOM 204 CD2 LEU A 22 -2.181 -1.417 1.026 1.00 0.33 C ATOM 0 H LEU A 22 1.337 -4.369 0.800 1.00 0.22 H new ATOM 0 HA LEU A 22 -1.322 -4.262 1.847 1.00 0.20 H new ATOM 0 HB2 LEU A 22 0.205 -3.216 -0.520 1.00 0.22 H new ATOM 0 HB3 LEU A 22 -1.545 -3.215 -0.613 1.00 0.22 H new ATOM 0 HG LEU A 22 -0.291 -2.013 1.819 1.00 0.24 H new ATOM 0 HD11 LEU A 22 0.009 0.130 0.637 1.00 0.27 H new ATOM 0 HD12 LEU A 22 1.081 -1.132 -0.015 1.00 0.27 H new ATOM 0 HD13 LEU A 22 -0.389 -0.667 -0.904 1.00 0.27 H new ATOM 0 HD21 LEU A 22 -2.197 -0.472 1.569 1.00 0.33 H new ATOM 0 HD22 LEU A 22 -2.651 -1.284 0.052 1.00 0.33 H new ATOM 0 HD23 LEU A 22 -2.728 -2.170 1.593 1.00 0.33 H new ATOM 216 N ARG A 23 -0.692 -6.234 -0.712 1.00 0.27 N ATOM 217 CA ARG A 23 -1.255 -7.322 -1.501 1.00 0.32 C ATOM 218 C ARG A 23 -1.620 -8.503 -0.612 1.00 0.31 C ATOM 219 O ARG A 23 -2.671 -9.122 -0.785 1.00 0.34 O ATOM 220 CB ARG A 23 -0.268 -7.761 -2.579 1.00 0.39 C ATOM 221 CG ARG A 23 -0.844 -8.792 -3.529 1.00 0.82 C ATOM 222 CD ARG A 23 -0.536 -8.452 -4.973 1.00 1.40 C ATOM 223 NE ARG A 23 -0.270 -9.650 -5.775 1.00 1.98 N ATOM 224 CZ ARG A 23 0.958 -10.095 -6.082 1.00 2.61 C ATOM 225 NH1 ARG A 23 2.025 -9.417 -5.683 1.00 3.01 N ATOM 226 NH2 ARG A 23 1.128 -11.208 -6.788 1.00 3.33 N ATOM 0 H ARG A 23 0.291 -6.037 -0.897 1.00 0.27 H new ATOM 0 HA ARG A 23 -2.164 -6.959 -1.981 1.00 0.32 H new ATOM 0 HB2 ARG A 23 0.050 -6.888 -3.149 1.00 0.39 H new ATOM 0 HB3 ARG A 23 0.622 -8.172 -2.103 1.00 0.39 H new ATOM 0 HG2 ARG A 23 -0.437 -9.775 -3.291 1.00 0.82 H new ATOM 0 HG3 ARG A 23 -1.924 -8.852 -3.391 1.00 0.82 H new ATOM 0 HD2 ARG A 23 -1.376 -7.906 -5.404 1.00 1.40 H new ATOM 0 HD3 ARG A 23 0.329 -7.790 -5.013 1.00 1.40 H new ATOM 0 HE ARG A 23 -1.070 -10.179 -6.122 1.00 1.98 H new ATOM 0 HH11 ARG A 23 1.912 -8.559 -5.144 1.00 3.01 H new ATOM 0 HH12 ARG A 23 2.959 -9.754 -5.915 1.00 3.01 H new ATOM 0 HH21 ARG A 23 0.317 -11.739 -7.106 1.00 3.33 H new ATOM 0 HH22 ARG A 23 2.069 -11.531 -7.012 1.00 3.33 H new ATOM 240 N GLU A 24 -0.760 -8.803 0.352 1.00 0.31 N ATOM 241 CA GLU A 24 -1.011 -9.903 1.272 1.00 0.33 C ATOM 242 C GLU A 24 -2.183 -9.567 2.187 1.00 0.28 C ATOM 243 O GLU A 24 -2.967 -10.443 2.561 1.00 0.30 O ATOM 244 CB GLU A 24 0.236 -10.202 2.103 1.00 0.38 C ATOM 245 CG GLU A 24 0.300 -11.629 2.595 1.00 0.61 C ATOM 246 CD GLU A 24 0.175 -11.735 4.099 1.00 1.63 C ATOM 247 OE1 GLU A 24 1.154 -11.418 4.806 1.00 2.24 O ATOM 248 OE2 GLU A 24 -0.908 -12.130 4.588 1.00 2.36 O ATOM 0 H GLU A 24 0.113 -8.303 0.517 1.00 0.31 H new ATOM 0 HA GLU A 24 -1.261 -10.790 0.690 1.00 0.33 H new ATOM 0 HB2 GLU A 24 1.122 -9.992 1.504 1.00 0.38 H new ATOM 0 HB3 GLU A 24 0.263 -9.528 2.960 1.00 0.38 H new ATOM 0 HG2 GLU A 24 -0.497 -12.206 2.127 1.00 0.61 H new ATOM 0 HG3 GLU A 24 1.244 -12.075 2.281 1.00 0.61 H new ATOM 255 N LEU A 25 -2.297 -8.292 2.535 1.00 0.24 N ATOM 256 CA LEU A 25 -3.368 -7.832 3.400 1.00 0.22 C ATOM 257 C LEU A 25 -4.693 -7.819 2.637 1.00 0.18 C ATOM 258 O LEU A 25 -5.744 -8.112 3.202 1.00 0.20 O ATOM 259 CB LEU A 25 -3.049 -6.437 3.942 1.00 0.22 C ATOM 260 CG LEU A 25 -3.334 -6.217 5.433 1.00 0.25 C ATOM 261 CD1 LEU A 25 -3.956 -4.860 5.648 1.00 0.28 C ATOM 262 CD2 LEU A 25 -4.232 -7.307 5.996 1.00 0.28 C ATOM 0 H LEU A 25 -1.658 -7.559 2.229 1.00 0.24 H new ATOM 0 HA LEU A 25 -3.459 -8.518 4.242 1.00 0.22 H new ATOM 0 HB2 LEU A 25 -1.995 -6.229 3.759 1.00 0.22 H new ATOM 0 HB3 LEU A 25 -3.622 -5.706 3.371 1.00 0.22 H new ATOM 0 HG LEU A 25 -2.385 -6.263 5.966 1.00 0.25 H new ATOM 0 HD11 LEU A 25 -4.154 -4.715 6.710 1.00 0.28 H new ATOM 0 HD12 LEU A 25 -3.273 -4.087 5.297 1.00 0.28 H new ATOM 0 HD13 LEU A 25 -4.892 -4.796 5.092 1.00 0.28 H new ATOM 0 HD21 LEU A 25 -4.413 -7.119 7.054 1.00 0.28 H new ATOM 0 HD22 LEU A 25 -5.181 -7.309 5.460 1.00 0.28 H new ATOM 0 HD23 LEU A 25 -3.747 -8.276 5.877 1.00 0.28 H new ATOM 274 N SER A 26 -4.629 -7.499 1.348 1.00 0.17 N ATOM 275 CA SER A 26 -5.820 -7.467 0.505 1.00 0.16 C ATOM 276 C SER A 26 -6.421 -8.866 0.375 1.00 0.19 C ATOM 277 O SER A 26 -7.641 -9.035 0.347 1.00 0.22 O ATOM 278 CB SER A 26 -5.480 -6.931 -0.896 1.00 0.19 C ATOM 279 OG SER A 26 -4.926 -5.633 -0.830 1.00 0.86 O ATOM 0 H SER A 26 -3.764 -7.258 0.864 1.00 0.17 H new ATOM 0 HA SER A 26 -6.545 -6.804 0.976 1.00 0.16 H new ATOM 0 HB2 SER A 26 -4.776 -7.605 -1.384 1.00 0.19 H new ATOM 0 HB3 SER A 26 -6.381 -6.913 -1.509 1.00 0.19 H new ATOM 0 HG SER A 26 -3.981 -5.693 -0.578 1.00 0.86 H new ATOM 285 N LEU A 27 -5.551 -9.869 0.313 1.00 0.23 N ATOM 286 CA LEU A 27 -5.983 -11.251 0.194 1.00 0.28 C ATOM 287 C LEU A 27 -6.549 -11.759 1.514 1.00 0.29 C ATOM 288 O LEU A 27 -7.462 -12.580 1.536 1.00 0.34 O ATOM 289 CB LEU A 27 -4.803 -12.128 -0.228 1.00 0.33 C ATOM 290 CG LEU A 27 -4.850 -12.637 -1.668 1.00 0.42 C ATOM 291 CD1 LEU A 27 -4.309 -11.603 -2.633 1.00 0.54 C ATOM 292 CD2 LEU A 27 -4.063 -13.925 -1.789 1.00 0.60 C ATOM 0 H LEU A 27 -4.539 -9.746 0.344 1.00 0.23 H new ATOM 0 HA LEU A 27 -6.767 -11.301 -0.562 1.00 0.28 H new ATOM 0 HB2 LEU A 27 -3.882 -11.561 -0.090 1.00 0.33 H new ATOM 0 HB3 LEU A 27 -4.752 -12.986 0.442 1.00 0.33 H new ATOM 0 HG LEU A 27 -5.892 -12.827 -1.926 1.00 0.42 H new ATOM 0 HD11 LEU A 27 -4.355 -11.994 -3.649 1.00 0.54 H new ATOM 0 HD12 LEU A 27 -4.908 -10.695 -2.566 1.00 0.54 H new ATOM 0 HD13 LEU A 27 -3.274 -11.375 -2.379 1.00 0.54 H new ATOM 0 HD21 LEU A 27 -4.102 -14.280 -2.819 1.00 0.60 H new ATOM 0 HD22 LEU A 27 -3.026 -13.745 -1.506 1.00 0.60 H new ATOM 0 HD23 LEU A 27 -4.494 -14.678 -1.129 1.00 0.60 H new ATOM 304 N ASN A 28 -5.995 -11.264 2.611 1.00 0.28 N ATOM 305 CA ASN A 28 -6.435 -11.678 3.934 1.00 0.35 C ATOM 306 C ASN A 28 -7.738 -10.994 4.345 1.00 0.35 C ATOM 307 O ASN A 28 -8.711 -11.659 4.711 1.00 0.42 O ATOM 308 CB ASN A 28 -5.347 -11.386 4.968 1.00 0.41 C ATOM 309 CG ASN A 28 -5.265 -12.471 6.023 1.00 0.84 C ATOM 310 OD1 ASN A 28 -6.036 -12.477 6.982 1.00 1.14 O ATOM 311 ND2 ASN A 28 -4.317 -13.385 5.863 1.00 1.31 N ATOM 0 H ASN A 28 -5.241 -10.577 2.611 1.00 0.28 H new ATOM 0 HA ASN A 28 -6.622 -12.751 3.893 1.00 0.35 H new ATOM 0 HB2 ASN A 28 -4.384 -11.294 4.466 1.00 0.41 H new ATOM 0 HB3 ASN A 28 -5.549 -10.428 5.447 1.00 0.41 H new ATOM 0 HD21 ASN A 28 -4.206 -14.130 6.550 1.00 1.31 H new ATOM 0 HD22 ASN A 28 -3.699 -13.342 5.053 1.00 1.31 H new ATOM 318 N LEU A 29 -7.764 -9.665 4.276 1.00 0.33 N ATOM 319 CA LEU A 29 -8.949 -8.888 4.633 1.00 0.38 C ATOM 320 C LEU A 29 -10.103 -9.190 3.696 1.00 0.40 C ATOM 321 O LEU A 29 -11.262 -9.166 4.101 1.00 0.49 O ATOM 322 CB LEU A 29 -8.643 -7.385 4.606 1.00 0.40 C ATOM 323 CG LEU A 29 -7.682 -6.908 5.689 1.00 0.38 C ATOM 324 CD1 LEU A 29 -7.284 -5.471 5.426 1.00 0.36 C ATOM 325 CD2 LEU A 29 -8.320 -7.038 7.065 1.00 0.39 C ATOM 0 H LEU A 29 -6.971 -9.100 3.973 1.00 0.33 H new ATOM 0 HA LEU A 29 -9.236 -9.174 5.645 1.00 0.38 H new ATOM 0 HB2 LEU A 29 -8.225 -7.131 3.632 1.00 0.40 H new ATOM 0 HB3 LEU A 29 -9.580 -6.836 4.704 1.00 0.40 H new ATOM 0 HG LEU A 29 -6.789 -7.533 5.667 1.00 0.38 H new ATOM 0 HD11 LEU A 29 -6.597 -5.136 6.203 1.00 0.36 H new ATOM 0 HD12 LEU A 29 -6.795 -5.401 4.454 1.00 0.36 H new ATOM 0 HD13 LEU A 29 -8.173 -4.840 5.431 1.00 0.36 H new ATOM 0 HD21 LEU A 29 -7.619 -6.693 7.825 1.00 0.39 H new ATOM 0 HD22 LEU A 29 -9.226 -6.433 7.105 1.00 0.39 H new ATOM 0 HD23 LEU A 29 -8.573 -8.082 7.252 1.00 0.39 H new ATOM 337 N GLY A 30 -9.775 -9.476 2.442 1.00 0.35 N ATOM 338 CA GLY A 30 -10.791 -9.779 1.458 1.00 0.43 C ATOM 339 C GLY A 30 -11.632 -10.990 1.824 1.00 0.53 C ATOM 340 O GLY A 30 -12.822 -11.033 1.522 1.00 0.65 O ATOM 0 H GLY A 30 -8.818 -9.503 2.090 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -11.443 -8.914 1.339 1.00 0.43 H new ATOM 0 HA3 GLY A 30 -10.314 -9.953 0.494 1.00 0.43 H new ATOM 344 N ASN A 31 -11.028 -11.966 2.480 1.00 0.53 N ATOM 345 CA ASN A 31 -11.743 -13.165 2.886 1.00 0.66 C ATOM 346 C ASN A 31 -12.137 -13.075 4.359 1.00 0.71 C ATOM 347 O ASN A 31 -12.931 -13.874 4.849 1.00 0.84 O ATOM 348 CB ASN A 31 -10.876 -14.408 2.647 1.00 0.70 C ATOM 349 CG ASN A 31 -11.706 -15.667 2.502 1.00 1.17 C ATOM 350 OD1 ASN A 31 -12.889 -15.610 2.169 1.00 1.94 O ATOM 351 ND2 ASN A 31 -11.099 -16.816 2.736 1.00 1.52 N ATOM 0 H ASN A 31 -10.043 -11.952 2.743 1.00 0.53 H new ATOM 0 HA ASN A 31 -12.649 -13.248 2.286 1.00 0.66 H new ATOM 0 HB2 ASN A 31 -10.278 -14.264 1.747 1.00 0.70 H new ATOM 0 HB3 ASN A 31 -10.180 -14.528 3.477 1.00 0.70 H new ATOM 0 HD21 ASN A 31 -11.612 -17.692 2.642 1.00 1.52 H new ATOM 0 HD22 ASN A 31 -10.117 -16.827 3.010 1.00 1.52 H new ATOM 358 N ARG A 32 -11.583 -12.092 5.060 1.00 0.66 N ATOM 359 CA ARG A 32 -11.884 -11.902 6.477 1.00 0.77 C ATOM 360 C ARG A 32 -13.025 -10.903 6.663 1.00 0.86 C ATOM 361 O ARG A 32 -13.453 -10.632 7.788 1.00 1.01 O ATOM 362 CB ARG A 32 -10.637 -11.419 7.224 1.00 0.76 C ATOM 363 CG ARG A 32 -10.492 -12.011 8.611 1.00 0.91 C ATOM 364 CD ARG A 32 -9.104 -12.569 8.835 1.00 1.14 C ATOM 365 NE ARG A 32 -9.053 -13.400 10.037 1.00 2.09 N ATOM 366 CZ ARG A 32 -8.300 -13.122 11.100 1.00 2.75 C ATOM 367 NH1 ARG A 32 -7.508 -12.056 11.091 1.00 2.70 N ATOM 368 NH2 ARG A 32 -8.312 -13.930 12.159 1.00 3.82 N ATOM 0 H ARG A 32 -10.925 -11.416 4.673 1.00 0.66 H new ATOM 0 HA ARG A 32 -12.197 -12.861 6.889 1.00 0.77 H new ATOM 0 HB2 ARG A 32 -9.753 -11.669 6.637 1.00 0.76 H new ATOM 0 HB3 ARG A 32 -10.670 -10.332 7.304 1.00 0.76 H new ATOM 0 HG2 ARG A 32 -10.702 -11.245 9.358 1.00 0.91 H new ATOM 0 HG3 ARG A 32 -11.229 -12.802 8.749 1.00 0.91 H new ATOM 0 HD2 ARG A 32 -8.803 -13.159 7.969 1.00 1.14 H new ATOM 0 HD3 ARG A 32 -8.391 -11.750 8.926 1.00 1.14 H new ATOM 0 HE ARG A 32 -9.628 -14.242 10.063 1.00 2.09 H new ATOM 0 HH11 ARG A 32 -7.477 -11.451 10.271 1.00 2.70 H new ATOM 0 HH12 ARG A 32 -6.931 -11.842 11.905 1.00 2.70 H new ATOM 0 HH21 ARG A 32 -8.899 -14.764 12.157 1.00 3.82 H new ATOM 0 HH22 ARG A 32 -7.734 -13.714 12.972 1.00 3.82 H new ATOM 382 N MET A 33 -13.502 -10.348 5.559 1.00 0.83 N ATOM 383 CA MET A 33 -14.583 -9.368 5.593 1.00 0.96 C ATOM 384 C MET A 33 -15.938 -10.050 5.451 1.00 1.17 C ATOM 385 O MET A 33 -16.024 -11.176 4.963 1.00 1.55 O ATOM 386 CB MET A 33 -14.400 -8.334 4.478 1.00 0.80 C ATOM 387 CG MET A 33 -14.805 -6.932 4.884 1.00 0.95 C ATOM 388 SD MET A 33 -13.779 -5.661 4.120 1.00 1.18 S ATOM 389 CE MET A 33 -14.984 -4.873 3.060 1.00 1.84 C ATOM 0 H MET A 33 -13.157 -10.559 4.623 1.00 0.83 H new ATOM 0 HA MET A 33 -14.550 -8.861 6.557 1.00 0.96 H new ATOM 0 HB2 MET A 33 -13.355 -8.327 4.168 1.00 0.80 H new ATOM 0 HB3 MET A 33 -14.988 -8.637 3.612 1.00 0.80 H new ATOM 0 HG2 MET A 33 -15.847 -6.766 4.609 1.00 0.95 H new ATOM 0 HG3 MET A 33 -14.743 -6.840 5.968 1.00 0.95 H new ATOM 0 HE1 MET A 33 -14.474 -4.380 2.233 1.00 1.84 H new ATOM 0 HE2 MET A 33 -15.670 -5.624 2.668 1.00 1.84 H new ATOM 0 HE3 MET A 33 -15.544 -4.134 3.633 1.00 1.84 H new ATOM 399 N VAL A 34 -16.991 -9.367 5.879 1.00 1.22 N ATOM 400 CA VAL A 34 -18.341 -9.910 5.796 1.00 1.41 C ATOM 401 C VAL A 34 -19.244 -8.980 4.997 1.00 1.54 C ATOM 402 O VAL A 34 -19.602 -7.901 5.473 1.00 1.66 O ATOM 403 CB VAL A 34 -18.969 -10.117 7.194 1.00 1.65 C ATOM 404 CG1 VAL A 34 -20.165 -11.057 7.112 1.00 1.87 C ATOM 405 CG2 VAL A 34 -17.954 -10.648 8.202 1.00 1.64 C ATOM 0 H VAL A 34 -16.937 -8.434 6.288 1.00 1.22 H new ATOM 0 HA VAL A 34 -18.258 -10.877 5.300 1.00 1.41 H new ATOM 0 HB VAL A 34 -19.305 -9.141 7.543 1.00 1.65 H new ATOM 0 HG11 VAL A 34 -20.592 -11.190 8.106 1.00 1.87 H new ATOM 0 HG12 VAL A 34 -20.917 -10.632 6.447 1.00 1.87 H new ATOM 0 HG13 VAL A 34 -19.842 -12.023 6.724 1.00 1.87 H new ATOM 0 HG21 VAL A 34 -18.437 -10.779 9.170 1.00 1.64 H new ATOM 0 HG22 VAL A 34 -17.566 -11.607 7.857 1.00 1.64 H new ATOM 0 HG23 VAL A 34 -17.132 -9.938 8.299 1.00 1.64 H new ATOM 415 N PRO A 35 -19.630 -9.364 3.771 1.00 1.58 N ATOM 416 CA PRO A 35 -19.230 -10.629 3.144 1.00 1.51 C ATOM 417 C PRO A 35 -17.865 -10.509 2.443 1.00 1.32 C ATOM 418 O PRO A 35 -17.351 -9.396 2.286 1.00 1.30 O ATOM 419 CB PRO A 35 -20.355 -10.847 2.129 1.00 1.71 C ATOM 420 CG PRO A 35 -20.734 -9.470 1.698 1.00 1.86 C ATOM 421 CD PRO A 35 -20.507 -8.572 2.887 1.00 1.75 C ATOM 0 HA PRO A 35 -19.106 -11.447 3.853 1.00 1.51 H new ATOM 0 HB2 PRO A 35 -20.018 -11.449 1.285 1.00 1.71 H new ATOM 0 HB3 PRO A 35 -21.200 -11.370 2.577 1.00 1.71 H new ATOM 0 HG2 PRO A 35 -20.130 -9.149 0.849 1.00 1.86 H new ATOM 0 HG3 PRO A 35 -21.776 -9.436 1.379 1.00 1.86 H new ATOM 0 HD2 PRO A 35 -20.036 -7.634 2.594 1.00 1.75 H new ATOM 0 HD3 PRO A 35 -21.445 -8.317 3.380 1.00 1.75 H new ATOM 429 N PRO A 36 -17.256 -11.640 2.024 1.00 1.22 N ATOM 430 CA PRO A 36 -15.950 -11.641 1.347 1.00 1.08 C ATOM 431 C PRO A 36 -15.909 -10.685 0.154 1.00 1.17 C ATOM 432 O PRO A 36 -16.869 -10.581 -0.615 1.00 1.42 O ATOM 433 CB PRO A 36 -15.802 -13.087 0.875 1.00 1.12 C ATOM 434 CG PRO A 36 -16.581 -13.867 1.865 1.00 1.14 C ATOM 435 CD PRO A 36 -17.779 -13.011 2.183 1.00 1.27 C ATOM 0 HA PRO A 36 -15.149 -11.305 2.006 1.00 1.08 H new ATOM 0 HB2 PRO A 36 -16.192 -13.220 -0.134 1.00 1.12 H new ATOM 0 HB3 PRO A 36 -14.757 -13.396 0.856 1.00 1.12 H new ATOM 0 HG2 PRO A 36 -16.883 -14.832 1.458 1.00 1.14 H new ATOM 0 HG3 PRO A 36 -15.992 -14.069 2.760 1.00 1.14 H new ATOM 0 HD2 PRO A 36 -18.608 -13.208 1.504 1.00 1.27 H new ATOM 0 HD3 PRO A 36 -18.146 -13.189 3.194 1.00 1.27 H new ATOM 443 N VAL A 37 -14.803 -9.973 0.024 1.00 0.99 N ATOM 444 CA VAL A 37 -14.630 -9.005 -1.051 1.00 1.08 C ATOM 445 C VAL A 37 -13.946 -9.620 -2.266 1.00 1.24 C ATOM 446 O VAL A 37 -14.164 -9.187 -3.396 1.00 2.02 O ATOM 447 CB VAL A 37 -13.785 -7.802 -0.586 1.00 0.81 C ATOM 448 CG1 VAL A 37 -14.155 -6.553 -1.354 1.00 0.95 C ATOM 449 CG2 VAL A 37 -13.936 -7.584 0.907 1.00 0.81 C ATOM 0 H VAL A 37 -14.004 -10.047 0.654 1.00 0.99 H new ATOM 0 HA VAL A 37 -15.632 -8.677 -1.327 1.00 1.08 H new ATOM 0 HB VAL A 37 -12.738 -8.024 -0.792 1.00 0.81 H new ATOM 0 HG11 VAL A 37 -13.545 -5.719 -1.007 1.00 0.95 H new ATOM 0 HG12 VAL A 37 -13.979 -6.714 -2.418 1.00 0.95 H new ATOM 0 HG13 VAL A 37 -15.208 -6.324 -1.191 1.00 0.95 H new ATOM 0 HG21 VAL A 37 -13.331 -6.730 1.213 1.00 0.81 H new ATOM 0 HG22 VAL A 37 -14.983 -7.390 1.142 1.00 0.81 H new ATOM 0 HG23 VAL A 37 -13.603 -8.474 1.440 1.00 0.81 H new ATOM 459 N GLY A 38 -13.093 -10.613 -2.032 1.00 1.18 N ATOM 460 CA GLY A 38 -12.374 -11.232 -3.128 1.00 1.27 C ATOM 461 C GLY A 38 -11.233 -10.349 -3.590 1.00 1.09 C ATOM 462 O GLY A 38 -10.076 -10.576 -3.238 1.00 1.23 O ATOM 0 H GLY A 38 -12.889 -10.997 -1.109 1.00 1.18 H new ATOM 0 HA2 GLY A 38 -11.986 -12.201 -2.813 1.00 1.27 H new ATOM 0 HA3 GLY A 38 -13.056 -11.417 -3.958 1.00 1.27 H new ATOM 466 N ASN A 39 -11.565 -9.311 -4.343 1.00 0.92 N ATOM 467 CA ASN A 39 -10.565 -8.366 -4.822 1.00 0.82 C ATOM 468 C ASN A 39 -10.624 -7.103 -3.982 1.00 0.64 C ATOM 469 O ASN A 39 -11.113 -6.068 -4.432 1.00 0.74 O ATOM 470 CB ASN A 39 -10.765 -8.028 -6.308 1.00 0.99 C ATOM 471 CG ASN A 39 -9.452 -7.722 -7.018 1.00 1.44 C ATOM 472 OD1 ASN A 39 -9.179 -6.576 -7.386 1.00 2.12 O ATOM 473 ND2 ASN A 39 -8.640 -8.747 -7.236 1.00 2.13 N ATOM 0 H ASN A 39 -12.519 -9.101 -4.636 1.00 0.92 H new ATOM 0 HA ASN A 39 -9.583 -8.829 -4.725 1.00 0.82 H new ATOM 0 HB2 ASN A 39 -11.257 -8.864 -6.805 1.00 0.99 H new ATOM 0 HB3 ASN A 39 -11.431 -7.169 -6.396 1.00 0.99 H new ATOM 0 HD21 ASN A 39 -7.755 -8.602 -7.723 1.00 2.13 H new ATOM 0 HD22 ASN A 39 -8.900 -9.680 -6.917 1.00 2.13 H new ATOM 480 N PHE A 40 -10.132 -7.226 -2.752 1.00 0.46 N ATOM 481 CA PHE A 40 -10.105 -6.133 -1.774 1.00 0.32 C ATOM 482 C PHE A 40 -9.655 -4.817 -2.402 1.00 0.28 C ATOM 483 O PHE A 40 -10.467 -3.924 -2.649 1.00 0.52 O ATOM 484 CB PHE A 40 -9.172 -6.517 -0.629 1.00 0.24 C ATOM 485 CG PHE A 40 -9.276 -5.642 0.598 1.00 0.22 C ATOM 486 CD1 PHE A 40 -10.518 -5.254 1.083 1.00 0.30 C ATOM 487 CD2 PHE A 40 -8.139 -5.191 1.250 1.00 0.20 C ATOM 488 CE1 PHE A 40 -10.621 -4.435 2.190 1.00 0.37 C ATOM 489 CE2 PHE A 40 -8.238 -4.370 2.356 1.00 0.26 C ATOM 490 CZ PHE A 40 -9.458 -4.071 2.887 1.00 0.33 C ATOM 0 H PHE A 40 -9.735 -8.097 -2.399 1.00 0.46 H new ATOM 0 HA PHE A 40 -11.117 -5.980 -1.400 1.00 0.32 H new ATOM 0 HB2 PHE A 40 -9.379 -7.548 -0.341 1.00 0.24 H new ATOM 0 HB3 PHE A 40 -8.145 -6.488 -0.992 1.00 0.24 H new ATOM 0 HD1 PHE A 40 -11.415 -5.597 0.588 1.00 0.30 H new ATOM 0 HD2 PHE A 40 -7.165 -5.485 0.889 1.00 0.20 H new ATOM 0 HE1 PHE A 40 -11.587 -4.078 2.516 1.00 0.37 H new ATOM 0 HE2 PHE A 40 -7.344 -3.962 2.803 1.00 0.26 H new ATOM 0 HZ PHE A 40 -9.529 -3.559 3.835 1.00 0.33 H new ATOM 500 N MET A 41 -8.364 -4.699 -2.654 1.00 0.22 N ATOM 501 CA MET A 41 -7.817 -3.502 -3.258 1.00 0.18 C ATOM 502 C MET A 41 -7.201 -3.852 -4.605 1.00 0.20 C ATOM 503 O MET A 41 -6.459 -4.829 -4.710 1.00 0.24 O ATOM 504 CB MET A 41 -6.768 -2.867 -2.338 1.00 0.17 C ATOM 505 CG MET A 41 -6.730 -1.348 -2.384 1.00 0.21 C ATOM 506 SD MET A 41 -8.376 -0.614 -2.431 1.00 0.28 S ATOM 507 CE MET A 41 -8.472 0.098 -0.794 1.00 0.25 C ATOM 0 H MET A 41 -7.674 -5.422 -2.448 1.00 0.22 H new ATOM 0 HA MET A 41 -8.618 -2.778 -3.407 1.00 0.18 H new ATOM 0 HB2 MET A 41 -6.963 -3.183 -1.313 1.00 0.17 H new ATOM 0 HB3 MET A 41 -5.785 -3.251 -2.609 1.00 0.17 H new ATOM 0 HG2 MET A 41 -6.195 -0.975 -1.511 1.00 0.21 H new ATOM 0 HG3 MET A 41 -6.169 -1.029 -3.262 1.00 0.21 H new ATOM 0 HE1 MET A 41 -9.300 0.806 -0.753 1.00 0.25 H new ATOM 0 HE2 MET A 41 -8.634 -0.693 -0.062 1.00 0.25 H new ATOM 0 HE3 MET A 41 -7.540 0.616 -0.567 1.00 0.25 H new ATOM 517 N PRO A 42 -7.510 -3.076 -5.655 1.00 0.20 N ATOM 518 CA PRO A 42 -6.980 -3.317 -6.996 1.00 0.24 C ATOM 519 C PRO A 42 -5.497 -2.976 -7.081 1.00 0.21 C ATOM 520 O PRO A 42 -5.028 -2.058 -6.398 1.00 0.20 O ATOM 521 CB PRO A 42 -7.788 -2.378 -7.901 1.00 0.29 C ATOM 522 CG PRO A 42 -8.884 -1.833 -7.045 1.00 0.27 C ATOM 523 CD PRO A 42 -8.396 -1.907 -5.626 1.00 0.23 C ATOM 0 HA PRO A 42 -7.068 -4.366 -7.281 1.00 0.24 H new ATOM 0 HB2 PRO A 42 -7.161 -1.576 -8.292 1.00 0.29 H new ATOM 0 HB3 PRO A 42 -8.192 -2.914 -8.760 1.00 0.29 H new ATOM 0 HG2 PRO A 42 -9.117 -0.805 -7.322 1.00 0.27 H new ATOM 0 HG3 PRO A 42 -9.799 -2.412 -7.171 1.00 0.27 H new ATOM 0 HD2 PRO A 42 -7.864 -1.002 -5.332 1.00 0.23 H new ATOM 0 HD3 PRO A 42 -9.217 -2.037 -4.921 1.00 0.23 H new ATOM 531 N ASP A 43 -4.773 -3.726 -7.912 1.00 0.23 N ATOM 532 CA ASP A 43 -3.331 -3.542 -8.111 1.00 0.23 C ATOM 533 C ASP A 43 -2.974 -2.076 -8.359 1.00 0.22 C ATOM 534 O ASP A 43 -1.985 -1.570 -7.829 1.00 0.23 O ATOM 535 CB ASP A 43 -2.872 -4.412 -9.289 1.00 0.29 C ATOM 536 CG ASP A 43 -1.565 -3.951 -9.900 1.00 0.78 C ATOM 537 OD1 ASP A 43 -0.519 -4.062 -9.237 1.00 1.51 O ATOM 538 OD2 ASP A 43 -1.569 -3.495 -11.064 1.00 1.08 O ATOM 0 H ASP A 43 -5.170 -4.482 -8.470 1.00 0.23 H new ATOM 0 HA ASP A 43 -2.815 -3.847 -7.201 1.00 0.23 H new ATOM 0 HB2 ASP A 43 -2.763 -5.442 -8.950 1.00 0.29 H new ATOM 0 HB3 ASP A 43 -3.645 -4.409 -10.057 1.00 0.29 H new ATOM 543 N SER A 44 -3.797 -1.399 -9.149 1.00 0.23 N ATOM 544 CA SER A 44 -3.583 0.005 -9.458 1.00 0.25 C ATOM 545 C SER A 44 -3.578 0.862 -8.191 1.00 0.23 C ATOM 546 O SER A 44 -2.677 1.677 -7.981 1.00 0.26 O ATOM 547 CB SER A 44 -4.684 0.475 -10.403 1.00 0.32 C ATOM 548 OG SER A 44 -5.623 -0.566 -10.622 1.00 0.57 O ATOM 0 H SER A 44 -4.623 -1.804 -9.589 1.00 0.23 H new ATOM 0 HA SER A 44 -2.608 0.115 -9.932 1.00 0.25 H new ATOM 0 HB2 SER A 44 -5.187 1.345 -9.982 1.00 0.32 H new ATOM 0 HB3 SER A 44 -4.249 0.787 -11.352 1.00 0.32 H new ATOM 0 HG SER A 44 -6.325 -0.251 -11.229 1.00 0.57 H new ATOM 554 N ILE A 45 -4.589 0.670 -7.345 1.00 0.21 N ATOM 555 CA ILE A 45 -4.701 1.431 -6.108 1.00 0.21 C ATOM 556 C ILE A 45 -3.621 1.027 -5.117 1.00 0.17 C ATOM 557 O ILE A 45 -3.088 1.865 -4.392 1.00 0.18 O ATOM 558 CB ILE A 45 -6.095 1.260 -5.452 1.00 0.24 C ATOM 559 CG1 ILE A 45 -7.201 1.636 -6.451 1.00 0.30 C ATOM 560 CG2 ILE A 45 -6.208 2.092 -4.175 1.00 0.25 C ATOM 561 CD1 ILE A 45 -7.226 3.105 -6.823 1.00 0.34 C ATOM 0 H ILE A 45 -5.339 -0.005 -7.496 1.00 0.21 H new ATOM 0 HA ILE A 45 -4.570 2.480 -6.372 1.00 0.21 H new ATOM 0 HB ILE A 45 -6.218 0.213 -5.175 1.00 0.24 H new ATOM 0 HG12 ILE A 45 -7.073 1.045 -7.358 1.00 0.30 H new ATOM 0 HG13 ILE A 45 -8.167 1.363 -6.026 1.00 0.30 H new ATOM 0 HG21 ILE A 45 -7.196 1.953 -3.736 1.00 0.25 H new ATOM 0 HG22 ILE A 45 -5.447 1.772 -3.464 1.00 0.25 H new ATOM 0 HG23 ILE A 45 -6.062 3.146 -4.413 1.00 0.25 H new ATOM 0 HD11 ILE A 45 -8.034 3.287 -7.531 1.00 0.34 H new ATOM 0 HD12 ILE A 45 -7.386 3.705 -5.927 1.00 0.34 H new ATOM 0 HD13 ILE A 45 -6.275 3.381 -7.279 1.00 0.34 H new ATOM 573 N LEU A 46 -3.280 -0.251 -5.107 1.00 0.16 N ATOM 574 CA LEU A 46 -2.249 -0.742 -4.209 1.00 0.16 C ATOM 575 C LEU A 46 -0.904 -0.091 -4.519 1.00 0.16 C ATOM 576 O LEU A 46 -0.132 0.209 -3.611 1.00 0.19 O ATOM 577 CB LEU A 46 -2.111 -2.261 -4.311 1.00 0.18 C ATOM 578 CG LEU A 46 -3.316 -3.076 -3.836 1.00 0.18 C ATOM 579 CD1 LEU A 46 -3.316 -4.457 -4.473 1.00 0.26 C ATOM 580 CD2 LEU A 46 -3.313 -3.201 -2.322 1.00 0.19 C ATOM 0 H LEU A 46 -3.699 -0.963 -5.706 1.00 0.16 H new ATOM 0 HA LEU A 46 -2.548 -0.480 -3.194 1.00 0.16 H new ATOM 0 HB2 LEU A 46 -1.910 -2.519 -5.351 1.00 0.18 H new ATOM 0 HB3 LEU A 46 -1.239 -2.567 -3.732 1.00 0.18 H new ATOM 0 HG LEU A 46 -4.221 -2.551 -4.142 1.00 0.18 H new ATOM 0 HD11 LEU A 46 -4.181 -5.020 -4.122 1.00 0.26 H new ATOM 0 HD12 LEU A 46 -3.364 -4.357 -5.557 1.00 0.26 H new ATOM 0 HD13 LEU A 46 -2.403 -4.985 -4.197 1.00 0.26 H new ATOM 0 HD21 LEU A 46 -4.177 -3.784 -2.003 1.00 0.19 H new ATOM 0 HD22 LEU A 46 -2.400 -3.701 -2.000 1.00 0.19 H new ATOM 0 HD23 LEU A 46 -3.360 -2.208 -1.875 1.00 0.19 H new ATOM 592 N LYS A 47 -0.632 0.123 -5.804 1.00 0.17 N ATOM 593 CA LYS A 47 0.627 0.730 -6.226 1.00 0.19 C ATOM 594 C LYS A 47 0.721 2.199 -5.825 1.00 0.18 C ATOM 595 O LYS A 47 1.709 2.616 -5.214 1.00 0.20 O ATOM 596 CB LYS A 47 0.795 0.610 -7.738 1.00 0.24 C ATOM 597 CG LYS A 47 1.366 -0.720 -8.169 1.00 0.31 C ATOM 598 CD LYS A 47 1.126 -0.962 -9.639 1.00 0.44 C ATOM 599 CE LYS A 47 1.959 -2.112 -10.138 1.00 0.88 C ATOM 600 NZ LYS A 47 1.189 -2.970 -11.067 1.00 0.97 N ATOM 0 H LYS A 47 -1.264 -0.114 -6.569 1.00 0.17 H new ATOM 0 HA LYS A 47 1.425 0.188 -5.719 1.00 0.19 H new ATOM 0 HB2 LYS A 47 -0.173 0.755 -8.217 1.00 0.24 H new ATOM 0 HB3 LYS A 47 1.448 1.409 -8.089 1.00 0.24 H new ATOM 0 HG2 LYS A 47 2.436 -0.744 -7.963 1.00 0.31 H new ATOM 0 HG3 LYS A 47 0.911 -1.521 -7.586 1.00 0.31 H new ATOM 0 HD2 LYS A 47 0.070 -1.172 -9.809 1.00 0.44 H new ATOM 0 HD3 LYS A 47 1.367 -0.061 -10.204 1.00 0.44 H new ATOM 0 HE2 LYS A 47 2.846 -1.729 -10.643 1.00 0.88 H new ATOM 0 HE3 LYS A 47 2.305 -2.707 -9.293 1.00 0.88 H new ATOM 0 HZ1 LYS A 47 1.818 -3.321 -11.817 1.00 0.97 H new ATOM 0 HZ2 LYS A 47 0.789 -3.776 -10.545 1.00 0.97 H new ATOM 0 HZ3 LYS A 47 0.418 -2.417 -11.492 1.00 0.97 H new ATOM 614 N LYS A 48 -0.301 2.982 -6.177 1.00 0.17 N ATOM 615 CA LYS A 48 -0.308 4.413 -5.857 1.00 0.18 C ATOM 616 C LYS A 48 -0.334 4.636 -4.353 1.00 0.18 C ATOM 617 O LYS A 48 0.368 5.501 -3.830 1.00 0.20 O ATOM 618 CB LYS A 48 -1.512 5.125 -6.503 1.00 0.20 C ATOM 619 CG LYS A 48 -2.856 4.468 -6.222 1.00 0.31 C ATOM 620 CD LYS A 48 -3.957 5.015 -7.117 1.00 0.32 C ATOM 621 CE LYS A 48 -3.779 4.573 -8.557 1.00 0.45 C ATOM 622 NZ LYS A 48 -4.350 5.557 -9.508 1.00 0.77 N ATOM 0 H LYS A 48 -1.127 2.655 -6.678 1.00 0.17 H new ATOM 0 HA LYS A 48 0.610 4.838 -6.264 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -1.543 6.155 -6.147 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -1.359 5.165 -7.582 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -2.771 3.391 -6.369 1.00 0.31 H new ATOM 0 HG3 LYS A 48 -3.126 4.627 -5.178 1.00 0.31 H new ATOM 0 HD2 LYS A 48 -4.926 4.678 -6.750 1.00 0.32 H new ATOM 0 HD3 LYS A 48 -3.959 6.104 -7.068 1.00 0.32 H new ATOM 0 HE2 LYS A 48 -2.718 4.437 -8.767 1.00 0.45 H new ATOM 0 HE3 LYS A 48 -4.259 3.605 -8.703 1.00 0.45 H new ATOM 0 HZ1 LYS A 48 -5.033 5.081 -10.132 1.00 0.77 H new ATOM 0 HZ2 LYS A 48 -4.832 6.312 -8.979 1.00 0.77 H new ATOM 0 HZ3 LYS A 48 -3.586 5.969 -10.081 1.00 0.77 H new ATOM 636 N MET A 49 -1.143 3.852 -3.662 1.00 0.17 N ATOM 637 CA MET A 49 -1.261 3.972 -2.219 1.00 0.17 C ATOM 638 C MET A 49 0.053 3.598 -1.533 1.00 0.17 C ATOM 639 O MET A 49 0.373 4.129 -0.477 1.00 0.19 O ATOM 640 CB MET A 49 -2.443 3.131 -1.707 1.00 0.17 C ATOM 641 CG MET A 49 -2.071 1.945 -0.832 1.00 0.19 C ATOM 642 SD MET A 49 -3.260 1.669 0.492 1.00 1.07 S ATOM 643 CE MET A 49 -4.557 0.807 -0.396 1.00 0.22 C ATOM 0 H MET A 49 -1.728 3.126 -4.076 1.00 0.17 H new ATOM 0 HA MET A 49 -1.466 5.012 -1.967 1.00 0.17 H new ATOM 0 HB2 MET A 49 -3.112 3.781 -1.143 1.00 0.17 H new ATOM 0 HB3 MET A 49 -3.005 2.765 -2.566 1.00 0.17 H new ATOM 0 HG2 MET A 49 -2.004 1.049 -1.449 1.00 0.19 H new ATOM 0 HG3 MET A 49 -1.083 2.110 -0.401 1.00 0.19 H new ATOM 0 HE1 MET A 49 -5.399 0.629 0.273 1.00 0.22 H new ATOM 0 HE2 MET A 49 -4.886 1.414 -1.240 1.00 0.22 H new ATOM 0 HE3 MET A 49 -4.176 -0.147 -0.762 1.00 0.22 H new ATOM 653 N ALA A 50 0.814 2.693 -2.142 1.00 0.16 N ATOM 654 CA ALA A 50 2.089 2.268 -1.581 1.00 0.17 C ATOM 655 C ALA A 50 3.187 3.287 -1.861 1.00 0.18 C ATOM 656 O ALA A 50 4.126 3.431 -1.080 1.00 0.22 O ATOM 657 CB ALA A 50 2.488 0.910 -2.140 1.00 0.19 C ATOM 0 H ALA A 50 0.569 2.241 -3.023 1.00 0.16 H new ATOM 0 HA ALA A 50 1.965 2.189 -0.501 1.00 0.17 H new ATOM 0 HB1 ALA A 50 3.443 0.606 -1.711 1.00 0.19 H new ATOM 0 HB2 ALA A 50 1.726 0.174 -1.886 1.00 0.19 H new ATOM 0 HB3 ALA A 50 2.582 0.976 -3.224 1.00 0.19 H new ATOM 663 N ALA A 51 3.069 3.983 -2.979 1.00 0.18 N ATOM 664 CA ALA A 51 4.062 4.973 -3.360 1.00 0.22 C ATOM 665 C ALA A 51 3.835 6.295 -2.636 1.00 0.24 C ATOM 666 O ALA A 51 4.784 6.948 -2.213 1.00 0.30 O ATOM 667 CB ALA A 51 4.041 5.197 -4.862 1.00 0.25 C ATOM 0 H ALA A 51 2.297 3.881 -3.638 1.00 0.18 H new ATOM 0 HA ALA A 51 5.039 4.588 -3.069 1.00 0.22 H new ATOM 0 HB1 ALA A 51 4.791 5.941 -5.129 1.00 0.25 H new ATOM 0 HB2 ALA A 51 4.262 4.260 -5.373 1.00 0.25 H new ATOM 0 HB3 ALA A 51 3.055 5.551 -5.163 1.00 0.25 H new ATOM 673 N ILE A 52 2.578 6.694 -2.511 1.00 0.24 N ATOM 674 CA ILE A 52 2.246 7.952 -1.853 1.00 0.28 C ATOM 675 C ILE A 52 2.064 7.765 -0.352 1.00 0.26 C ATOM 676 O ILE A 52 2.403 8.655 0.442 1.00 0.31 O ATOM 677 CB ILE A 52 0.953 8.554 -2.450 1.00 0.31 C ATOM 678 CG1 ILE A 52 1.243 9.185 -3.811 1.00 0.36 C ATOM 679 CG2 ILE A 52 0.331 9.582 -1.518 1.00 0.35 C ATOM 680 CD1 ILE A 52 0.747 8.359 -4.968 1.00 0.37 C ATOM 0 H ILE A 52 1.774 6.169 -2.854 1.00 0.24 H new ATOM 0 HA ILE A 52 3.079 8.634 -2.022 1.00 0.28 H new ATOM 0 HB ILE A 52 0.237 7.742 -2.576 1.00 0.31 H new ATOM 0 HG12 ILE A 52 0.780 10.171 -3.853 1.00 0.36 H new ATOM 0 HG13 ILE A 52 2.318 9.333 -3.914 1.00 0.36 H new ATOM 0 HG21 ILE A 52 -0.575 9.983 -1.972 1.00 0.35 H new ATOM 0 HG22 ILE A 52 0.083 9.109 -0.568 1.00 0.35 H new ATOM 0 HG23 ILE A 52 1.039 10.392 -1.345 1.00 0.35 H new ATOM 0 HD11 ILE A 52 0.985 8.864 -5.904 1.00 0.37 H new ATOM 0 HD12 ILE A 52 1.229 7.381 -4.950 1.00 0.37 H new ATOM 0 HD13 ILE A 52 -0.333 8.233 -4.888 1.00 0.37 H new ATOM 692 N LEU A 53 1.524 6.610 0.025 1.00 0.21 N ATOM 693 CA LEU A 53 1.263 6.278 1.423 1.00 0.21 C ATOM 694 C LEU A 53 0.431 7.380 2.088 1.00 0.23 C ATOM 695 O LEU A 53 0.913 8.103 2.960 1.00 0.27 O ATOM 696 CB LEU A 53 2.578 6.036 2.176 1.00 0.24 C ATOM 697 CG LEU A 53 3.068 4.582 2.164 1.00 0.26 C ATOM 698 CD1 LEU A 53 4.438 4.463 2.818 1.00 0.41 C ATOM 699 CD2 LEU A 53 2.065 3.682 2.865 1.00 0.35 C ATOM 0 H LEU A 53 1.254 5.876 -0.631 1.00 0.21 H new ATOM 0 HA LEU A 53 0.686 5.354 1.461 1.00 0.21 H new ATOM 0 HB2 LEU A 53 3.351 6.669 1.741 1.00 0.24 H new ATOM 0 HB3 LEU A 53 2.451 6.353 3.211 1.00 0.24 H new ATOM 0 HG LEU A 53 3.160 4.262 1.126 1.00 0.26 H new ATOM 0 HD11 LEU A 53 4.762 3.423 2.796 1.00 0.41 H new ATOM 0 HD12 LEU A 53 5.155 5.078 2.275 1.00 0.41 H new ATOM 0 HD13 LEU A 53 4.378 4.803 3.852 1.00 0.41 H new ATOM 0 HD21 LEU A 53 2.426 2.653 2.849 1.00 0.35 H new ATOM 0 HD22 LEU A 53 1.944 4.008 3.898 1.00 0.35 H new ATOM 0 HD23 LEU A 53 1.105 3.738 2.352 1.00 0.35 H new ATOM 711 N PRO A 54 -0.839 7.521 1.665 1.00 0.24 N ATOM 712 CA PRO A 54 -1.754 8.531 2.184 1.00 0.30 C ATOM 713 C PRO A 54 -2.346 8.140 3.523 1.00 0.40 C ATOM 714 O PRO A 54 -3.031 7.123 3.645 1.00 0.48 O ATOM 715 CB PRO A 54 -2.851 8.619 1.111 1.00 0.36 C ATOM 716 CG PRO A 54 -2.433 7.688 0.016 1.00 0.25 C ATOM 717 CD PRO A 54 -1.491 6.706 0.641 1.00 0.23 C ATOM 0 HA PRO A 54 -1.248 9.479 2.365 1.00 0.30 H new ATOM 0 HB2 PRO A 54 -3.820 8.331 1.519 1.00 0.36 H new ATOM 0 HB3 PRO A 54 -2.952 9.639 0.739 1.00 0.36 H new ATOM 0 HG2 PRO A 54 -3.296 7.180 -0.414 1.00 0.25 H new ATOM 0 HG3 PRO A 54 -1.947 8.232 -0.794 1.00 0.25 H new ATOM 0 HD2 PRO A 54 -2.016 5.853 1.071 1.00 0.23 H new ATOM 0 HD3 PRO A 54 -0.777 6.309 -0.081 1.00 0.23 H new ATOM 725 N MET A 55 -2.066 8.949 4.529 1.00 0.49 N ATOM 726 CA MET A 55 -2.561 8.685 5.865 1.00 0.64 C ATOM 727 C MET A 55 -3.848 9.456 6.140 1.00 0.72 C ATOM 728 O MET A 55 -4.604 9.105 7.048 1.00 1.02 O ATOM 729 CB MET A 55 -1.505 9.042 6.908 1.00 0.80 C ATOM 730 CG MET A 55 -0.519 7.922 7.167 1.00 1.07 C ATOM 731 SD MET A 55 -0.037 7.831 8.903 1.00 1.66 S ATOM 732 CE MET A 55 -1.645 7.726 9.694 1.00 1.52 C ATOM 0 H MET A 55 -1.499 9.793 4.445 1.00 0.49 H new ATOM 0 HA MET A 55 -2.780 7.619 5.933 1.00 0.64 H new ATOM 0 HB2 MET A 55 -0.961 9.927 6.577 1.00 0.80 H new ATOM 0 HB3 MET A 55 -2.001 9.304 7.843 1.00 0.80 H new ATOM 0 HG2 MET A 55 -0.961 6.973 6.864 1.00 1.07 H new ATOM 0 HG3 MET A 55 0.368 8.071 6.552 1.00 1.07 H new ATOM 0 HE1 MET A 55 -1.570 7.112 10.591 1.00 1.52 H new ATOM 0 HE2 MET A 55 -1.983 8.726 9.966 1.00 1.52 H new ATOM 0 HE3 MET A 55 -2.360 7.276 9.006 1.00 1.52 H new ATOM 742 N ASN A 56 -4.090 10.507 5.365 1.00 0.66 N ATOM 743 CA ASN A 56 -5.288 11.324 5.539 1.00 0.84 C ATOM 744 C ASN A 56 -6.103 11.410 4.252 1.00 0.69 C ATOM 745 O ASN A 56 -5.639 11.027 3.175 1.00 0.59 O ATOM 746 CB ASN A 56 -4.931 12.735 6.057 1.00 1.13 C ATOM 747 CG ASN A 56 -4.231 13.611 5.020 1.00 1.94 C ATOM 748 OD1 ASN A 56 -3.476 13.120 4.191 1.00 2.68 O ATOM 749 ND2 ASN A 56 -4.466 14.921 5.070 1.00 2.34 N ATOM 0 H ASN A 56 -3.475 10.814 4.611 1.00 0.66 H new ATOM 0 HA ASN A 56 -5.907 10.833 6.290 1.00 0.84 H new ATOM 0 HB2 ASN A 56 -5.843 13.234 6.385 1.00 1.13 H new ATOM 0 HB3 ASN A 56 -4.288 12.639 6.932 1.00 1.13 H new ATOM 0 HD21 ASN A 56 -4.011 15.546 4.405 1.00 2.34 H new ATOM 0 HD22 ASN A 56 -5.101 15.299 5.773 1.00 2.34 H new ATOM 756 N ASP A 57 -7.333 11.895 4.392 1.00 0.76 N ATOM 757 CA ASP A 57 -8.277 12.024 3.277 1.00 0.76 C ATOM 758 C ASP A 57 -7.725 12.870 2.133 1.00 0.73 C ATOM 759 O ASP A 57 -7.855 12.497 0.970 1.00 1.11 O ATOM 760 CB ASP A 57 -9.598 12.630 3.773 1.00 0.96 C ATOM 761 CG ASP A 57 -10.723 12.508 2.761 1.00 1.69 C ATOM 762 OD1 ASP A 57 -11.005 11.377 2.318 1.00 1.77 O ATOM 763 OD2 ASP A 57 -11.330 13.539 2.400 1.00 2.68 O ATOM 0 H ASP A 57 -7.709 12.212 5.285 1.00 0.76 H new ATOM 0 HA ASP A 57 -8.446 11.020 2.888 1.00 0.76 H new ATOM 0 HB2 ASP A 57 -9.894 12.135 4.698 1.00 0.96 H new ATOM 0 HB3 ASP A 57 -9.442 13.682 4.010 1.00 0.96 H new ATOM 768 N SER A 58 -7.126 14.009 2.458 1.00 0.67 N ATOM 769 CA SER A 58 -6.580 14.906 1.442 1.00 0.72 C ATOM 770 C SER A 58 -5.566 14.196 0.550 1.00 0.66 C ATOM 771 O SER A 58 -5.524 14.425 -0.660 1.00 0.77 O ATOM 772 CB SER A 58 -5.934 16.110 2.115 1.00 0.87 C ATOM 773 OG SER A 58 -6.485 16.310 3.405 1.00 1.02 O ATOM 0 H SER A 58 -7.005 14.335 3.417 1.00 0.67 H new ATOM 0 HA SER A 58 -7.402 15.238 0.807 1.00 0.72 H new ATOM 0 HB2 SER A 58 -4.858 15.957 2.192 1.00 0.87 H new ATOM 0 HB3 SER A 58 -6.087 17.001 1.505 1.00 0.87 H new ATOM 0 HG SER A 58 -6.059 17.086 3.826 1.00 1.02 H new ATOM 779 N ALA A 59 -4.759 13.329 1.152 1.00 0.58 N ATOM 780 CA ALA A 59 -3.750 12.578 0.415 1.00 0.59 C ATOM 781 C ALA A 59 -4.392 11.502 -0.445 1.00 0.51 C ATOM 782 O ALA A 59 -3.863 11.119 -1.487 1.00 0.59 O ATOM 783 CB ALA A 59 -2.741 11.959 1.368 1.00 0.62 C ATOM 0 H ALA A 59 -4.785 13.129 2.152 1.00 0.58 H new ATOM 0 HA ALA A 59 -3.228 13.274 -0.242 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -1.996 11.403 0.799 1.00 0.62 H new ATOM 0 HB2 ALA A 59 -2.248 12.747 1.938 1.00 0.62 H new ATOM 0 HB3 ALA A 59 -3.254 11.283 2.052 1.00 0.62 H new ATOM 789 N PHE A 60 -5.537 11.010 -0.012 1.00 0.40 N ATOM 790 CA PHE A 60 -6.232 9.981 -0.763 1.00 0.37 C ATOM 791 C PHE A 60 -6.738 10.530 -2.088 1.00 0.42 C ATOM 792 O PHE A 60 -6.912 9.787 -3.054 1.00 0.46 O ATOM 793 CB PHE A 60 -7.387 9.402 0.053 1.00 0.33 C ATOM 794 CG PHE A 60 -6.996 8.159 0.804 1.00 0.26 C ATOM 795 CD1 PHE A 60 -5.907 7.414 0.392 1.00 0.23 C ATOM 796 CD2 PHE A 60 -7.713 7.734 1.910 1.00 0.37 C ATOM 797 CE1 PHE A 60 -5.536 6.273 1.060 1.00 0.22 C ATOM 798 CE2 PHE A 60 -7.344 6.581 2.584 1.00 0.37 C ATOM 799 CZ PHE A 60 -6.251 5.853 2.153 1.00 0.24 C ATOM 0 H PHE A 60 -6.002 11.302 0.847 1.00 0.40 H new ATOM 0 HA PHE A 60 -5.524 9.179 -0.972 1.00 0.37 H new ATOM 0 HB2 PHE A 60 -7.741 10.153 0.759 1.00 0.33 H new ATOM 0 HB3 PHE A 60 -8.219 9.174 -0.613 1.00 0.33 H new ATOM 0 HD1 PHE A 60 -5.339 7.734 -0.469 1.00 0.23 H new ATOM 0 HD2 PHE A 60 -8.565 8.305 2.249 1.00 0.37 H new ATOM 0 HE1 PHE A 60 -4.680 5.706 0.725 1.00 0.22 H new ATOM 0 HE2 PHE A 60 -7.909 6.252 3.444 1.00 0.37 H new ATOM 0 HZ PHE A 60 -5.960 4.954 2.676 1.00 0.24 H new ATOM 809 N ALA A 61 -6.962 11.838 -2.134 1.00 0.47 N ATOM 810 CA ALA A 61 -7.438 12.484 -3.346 1.00 0.56 C ATOM 811 C ALA A 61 -6.348 12.502 -4.414 1.00 0.58 C ATOM 812 O ALA A 61 -6.646 12.506 -5.607 1.00 0.64 O ATOM 813 CB ALA A 61 -7.912 13.897 -3.042 1.00 0.67 C ATOM 0 H ALA A 61 -6.821 12.470 -1.346 1.00 0.47 H new ATOM 0 HA ALA A 61 -8.281 11.911 -3.732 1.00 0.56 H new ATOM 0 HB1 ALA A 61 -8.265 14.368 -3.960 1.00 0.67 H new ATOM 0 HB2 ALA A 61 -8.725 13.860 -2.317 1.00 0.67 H new ATOM 0 HB3 ALA A 61 -7.086 14.478 -2.631 1.00 0.67 H new ATOM 819 N THR A 62 -5.087 12.485 -3.987 1.00 0.57 N ATOM 820 CA THR A 62 -3.974 12.485 -4.931 1.00 0.64 C ATOM 821 C THR A 62 -3.739 11.094 -5.518 1.00 0.53 C ATOM 822 O THR A 62 -2.862 10.909 -6.358 1.00 0.57 O ATOM 823 CB THR A 62 -2.674 13.022 -4.314 1.00 0.78 C ATOM 824 OG1 THR A 62 -2.692 12.897 -2.886 1.00 1.03 O ATOM 825 CG2 THR A 62 -2.476 14.478 -4.696 1.00 1.13 C ATOM 0 H THR A 62 -4.813 12.471 -3.005 1.00 0.57 H new ATOM 0 HA THR A 62 -4.261 13.163 -5.735 1.00 0.64 H new ATOM 0 HB THR A 62 -1.847 12.429 -4.703 1.00 0.78 H new ATOM 0 HG1 THR A 62 -2.951 11.984 -2.641 1.00 1.03 H new ATOM 0 HG21 THR A 62 -1.551 14.848 -4.253 1.00 1.13 H new ATOM 0 HG22 THR A 62 -2.419 14.565 -5.781 1.00 1.13 H new ATOM 0 HG23 THR A 62 -3.316 15.068 -4.329 1.00 1.13 H new ATOM 833 N LEU A 63 -4.556 10.127 -5.101 1.00 0.44 N ATOM 834 CA LEU A 63 -4.459 8.761 -5.623 1.00 0.40 C ATOM 835 C LEU A 63 -5.230 8.654 -6.937 1.00 0.48 C ATOM 836 O LEU A 63 -5.644 7.567 -7.342 1.00 0.68 O ATOM 837 CB LEU A 63 -5.049 7.738 -4.641 1.00 0.34 C ATOM 838 CG LEU A 63 -4.260 7.466 -3.359 1.00 0.27 C ATOM 839 CD1 LEU A 63 -4.923 6.343 -2.581 1.00 0.28 C ATOM 840 CD2 LEU A 63 -2.816 7.107 -3.662 1.00 0.27 C ATOM 0 H LEU A 63 -5.290 10.262 -4.406 1.00 0.44 H new ATOM 0 HA LEU A 63 -3.401 8.544 -5.773 1.00 0.40 H new ATOM 0 HB2 LEU A 63 -6.046 8.076 -4.359 1.00 0.34 H new ATOM 0 HB3 LEU A 63 -5.171 6.793 -5.170 1.00 0.34 H new ATOM 0 HG LEU A 63 -4.258 8.377 -2.760 1.00 0.27 H new ATOM 0 HD11 LEU A 63 -4.359 6.151 -1.668 1.00 0.28 H new ATOM 0 HD12 LEU A 63 -5.942 6.631 -2.324 1.00 0.28 H new ATOM 0 HD13 LEU A 63 -4.944 5.440 -3.192 1.00 0.28 H new ATOM 0 HD21 LEU A 63 -2.284 6.920 -2.729 1.00 0.27 H new ATOM 0 HD22 LEU A 63 -2.786 6.211 -4.282 1.00 0.27 H new ATOM 0 HD23 LEU A 63 -2.340 7.932 -4.192 1.00 0.27 H new ATOM 852 N GLY A 64 -5.452 9.795 -7.582 1.00 0.63 N ATOM 853 CA GLY A 64 -6.207 9.814 -8.815 1.00 0.76 C ATOM 854 C GLY A 64 -7.690 9.754 -8.530 1.00 0.91 C ATOM 855 O GLY A 64 -8.460 9.190 -9.309 1.00 1.61 O ATOM 0 H GLY A 64 -5.120 10.707 -7.269 1.00 0.63 H new ATOM 0 HA2 GLY A 64 -5.975 10.719 -9.376 1.00 0.76 H new ATOM 0 HA3 GLY A 64 -5.916 8.969 -9.439 1.00 0.76 H new ATOM 859 N THR A 65 -8.083 10.347 -7.393 1.00 1.22 N ATOM 860 CA THR A 65 -9.476 10.383 -6.942 1.00 1.52 C ATOM 861 C THR A 65 -10.063 8.980 -6.815 1.00 1.28 C ATOM 862 O THR A 65 -10.763 8.502 -7.709 1.00 1.56 O ATOM 863 CB THR A 65 -10.382 11.242 -7.847 1.00 2.09 C ATOM 864 OG1 THR A 65 -9.703 11.604 -9.054 1.00 2.14 O ATOM 865 CG2 THR A 65 -10.841 12.498 -7.115 1.00 2.55 C ATOM 0 H THR A 65 -7.437 10.817 -6.759 1.00 1.22 H new ATOM 0 HA THR A 65 -9.450 10.852 -5.958 1.00 1.52 H new ATOM 0 HB THR A 65 -11.257 10.645 -8.104 1.00 2.09 H new ATOM 0 HG1 THR A 65 -10.297 12.147 -9.613 1.00 2.14 H new ATOM 0 HG21 THR A 65 -11.479 13.089 -7.772 1.00 2.55 H new ATOM 0 HG22 THR A 65 -11.401 12.215 -6.223 1.00 2.55 H new ATOM 0 HG23 THR A 65 -9.972 13.089 -6.826 1.00 2.55 H new ATOM 873 N VAL A 66 -9.776 8.338 -5.687 1.00 0.89 N ATOM 874 CA VAL A 66 -10.276 6.995 -5.419 1.00 0.69 C ATOM 875 C VAL A 66 -11.795 7.005 -5.283 1.00 0.68 C ATOM 876 O VAL A 66 -12.367 7.908 -4.658 1.00 0.72 O ATOM 877 CB VAL A 66 -9.672 6.384 -4.129 1.00 0.50 C ATOM 878 CG1 VAL A 66 -8.361 5.668 -4.419 1.00 0.58 C ATOM 879 CG2 VAL A 66 -9.465 7.446 -3.057 1.00 0.58 C ATOM 0 H VAL A 66 -9.198 8.728 -4.942 1.00 0.89 H new ATOM 0 HA VAL A 66 -9.973 6.381 -6.267 1.00 0.69 H new ATOM 0 HB VAL A 66 -10.388 5.653 -3.753 1.00 0.50 H new ATOM 0 HG11 VAL A 66 -7.962 5.250 -3.495 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -8.536 4.864 -5.134 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -7.644 6.376 -4.836 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -9.040 6.985 -2.165 1.00 0.58 H new ATOM 0 HG22 VAL A 66 -8.784 8.211 -3.429 1.00 0.58 H new ATOM 0 HG23 VAL A 66 -10.423 7.903 -2.808 1.00 0.58 H new ATOM 889 N GLU A 67 -12.438 6.002 -5.872 1.00 0.72 N ATOM 890 CA GLU A 67 -13.890 5.879 -5.820 1.00 0.79 C ATOM 891 C GLU A 67 -14.360 5.801 -4.376 1.00 0.63 C ATOM 892 O GLU A 67 -13.669 5.238 -3.525 1.00 0.49 O ATOM 893 CB GLU A 67 -14.351 4.631 -6.573 1.00 0.94 C ATOM 894 CG GLU A 67 -15.429 4.914 -7.607 1.00 1.19 C ATOM 895 CD GLU A 67 -16.827 4.629 -7.091 1.00 1.70 C ATOM 896 OE1 GLU A 67 -17.017 4.627 -5.857 1.00 2.42 O ATOM 897 OE2 GLU A 67 -17.745 4.419 -7.914 1.00 2.16 O ATOM 0 H GLU A 67 -11.973 5.259 -6.394 1.00 0.72 H new ATOM 0 HA GLU A 67 -14.323 6.760 -6.294 1.00 0.79 H new ATOM 0 HB2 GLU A 67 -13.493 4.177 -7.068 1.00 0.94 H new ATOM 0 HB3 GLU A 67 -14.728 3.902 -5.856 1.00 0.94 H new ATOM 0 HG2 GLU A 67 -15.366 5.958 -7.915 1.00 1.19 H new ATOM 0 HG3 GLU A 67 -15.243 4.308 -8.494 1.00 1.19 H new ATOM 904 N ASP A 68 -15.530 6.358 -4.107 1.00 0.71 N ATOM 905 CA ASP A 68 -16.101 6.357 -2.766 1.00 0.67 C ATOM 906 C ASP A 68 -16.231 4.937 -2.220 1.00 0.54 C ATOM 907 O ASP A 68 -16.036 4.699 -1.029 1.00 0.55 O ATOM 908 CB ASP A 68 -17.464 7.052 -2.765 1.00 0.85 C ATOM 909 CG ASP A 68 -17.774 7.712 -1.436 1.00 1.26 C ATOM 910 OD1 ASP A 68 -17.027 7.481 -0.464 1.00 1.61 O ATOM 911 OD2 ASP A 68 -18.765 8.468 -1.353 1.00 1.72 O ATOM 0 H ASP A 68 -16.109 6.822 -4.807 1.00 0.71 H new ATOM 0 HA ASP A 68 -15.423 6.908 -2.114 1.00 0.67 H new ATOM 0 HB2 ASP A 68 -17.487 7.803 -3.555 1.00 0.85 H new ATOM 0 HB3 ASP A 68 -18.241 6.323 -2.996 1.00 0.85 H new ATOM 916 N LYS A 69 -16.537 3.994 -3.102 1.00 0.55 N ATOM 917 CA LYS A 69 -16.675 2.597 -2.700 1.00 0.58 C ATOM 918 C LYS A 69 -15.332 2.019 -2.250 1.00 0.51 C ATOM 919 O LYS A 69 -15.280 1.094 -1.434 1.00 0.60 O ATOM 920 CB LYS A 69 -17.277 1.764 -3.838 1.00 0.71 C ATOM 921 CG LYS A 69 -16.262 1.017 -4.693 1.00 0.82 C ATOM 922 CD LYS A 69 -16.398 1.373 -6.166 1.00 1.15 C ATOM 923 CE LYS A 69 -17.694 0.844 -6.771 1.00 1.53 C ATOM 924 NZ LYS A 69 -18.185 1.698 -7.890 1.00 1.97 N ATOM 0 H LYS A 69 -16.694 4.168 -4.095 1.00 0.55 H new ATOM 0 HA LYS A 69 -17.356 2.555 -1.850 1.00 0.58 H new ATOM 0 HB2 LYS A 69 -17.972 1.041 -3.411 1.00 0.71 H new ATOM 0 HB3 LYS A 69 -17.858 2.423 -4.483 1.00 0.71 H new ATOM 0 HG2 LYS A 69 -15.254 1.255 -4.353 1.00 0.82 H new ATOM 0 HG3 LYS A 69 -16.397 -0.057 -4.564 1.00 0.82 H new ATOM 0 HD2 LYS A 69 -16.362 2.456 -6.281 1.00 1.15 H new ATOM 0 HD3 LYS A 69 -15.550 0.965 -6.716 1.00 1.15 H new ATOM 0 HE2 LYS A 69 -17.535 -0.171 -7.134 1.00 1.53 H new ATOM 0 HE3 LYS A 69 -18.459 0.789 -5.996 1.00 1.53 H new ATOM 0 HZ1 LYS A 69 -19.125 1.369 -8.191 1.00 1.97 H new ATOM 0 HZ2 LYS A 69 -18.249 2.686 -7.570 1.00 1.97 H new ATOM 0 HZ3 LYS A 69 -17.524 1.636 -8.690 1.00 1.97 H new ATOM 938 N TYR A 70 -14.246 2.580 -2.770 1.00 0.43 N ATOM 939 CA TYR A 70 -12.906 2.133 -2.411 1.00 0.39 C ATOM 940 C TYR A 70 -12.468 2.787 -1.109 1.00 0.33 C ATOM 941 O TYR A 70 -11.754 2.187 -0.312 1.00 0.34 O ATOM 942 CB TYR A 70 -11.915 2.466 -3.531 1.00 0.47 C ATOM 943 CG TYR A 70 -12.057 1.579 -4.748 1.00 0.60 C ATOM 944 CD1 TYR A 70 -12.432 0.250 -4.615 1.00 1.05 C ATOM 945 CD2 TYR A 70 -11.810 2.066 -6.024 1.00 1.18 C ATOM 946 CE1 TYR A 70 -12.565 -0.566 -5.718 1.00 1.16 C ATOM 947 CE2 TYR A 70 -11.938 1.255 -7.134 1.00 1.29 C ATOM 948 CZ TYR A 70 -12.325 -0.042 -6.988 1.00 0.94 C ATOM 949 OH TYR A 70 -12.437 -0.873 -8.084 1.00 1.11 O ATOM 0 H TYR A 70 -14.268 3.346 -3.443 1.00 0.43 H new ATOM 0 HA TYR A 70 -12.923 1.052 -2.273 1.00 0.39 H new ATOM 0 HB2 TYR A 70 -12.054 3.505 -3.831 1.00 0.47 H new ATOM 0 HB3 TYR A 70 -10.900 2.379 -3.144 1.00 0.47 H new ATOM 0 HD1 TYR A 70 -12.623 -0.152 -3.631 1.00 1.05 H new ATOM 0 HD2 TYR A 70 -11.513 3.097 -6.151 1.00 1.18 H new ATOM 0 HE1 TYR A 70 -12.852 -1.600 -5.600 1.00 1.16 H new ATOM 0 HE2 TYR A 70 -11.731 1.649 -8.118 1.00 1.29 H new ATOM 0 HH TYR A 70 -12.242 -0.366 -8.900 1.00 1.11 H new ATOM 959 N ARG A 71 -12.922 4.017 -0.901 1.00 0.37 N ATOM 960 CA ARG A 71 -12.604 4.777 0.307 1.00 0.46 C ATOM 961 C ARG A 71 -13.277 4.159 1.536 1.00 0.52 C ATOM 962 O ARG A 71 -12.745 4.207 2.643 1.00 0.59 O ATOM 963 CB ARG A 71 -13.049 6.229 0.148 1.00 0.60 C ATOM 964 CG ARG A 71 -12.572 6.888 -1.135 1.00 0.81 C ATOM 965 CD ARG A 71 -12.215 8.343 -0.904 1.00 0.97 C ATOM 966 NE ARG A 71 -13.388 9.139 -0.538 1.00 1.39 N ATOM 967 CZ ARG A 71 -14.281 9.606 -1.416 1.00 1.96 C ATOM 968 NH1 ARG A 71 -14.156 9.331 -2.713 1.00 2.55 N ATOM 969 NH2 ARG A 71 -15.308 10.330 -0.996 1.00 2.53 N ATOM 0 H ARG A 71 -13.519 4.516 -1.561 1.00 0.37 H new ATOM 0 HA ARG A 71 -11.524 4.746 0.452 1.00 0.46 H new ATOM 0 HB2 ARG A 71 -14.138 6.270 0.181 1.00 0.60 H new ATOM 0 HB3 ARG A 71 -12.682 6.805 0.998 1.00 0.60 H new ATOM 0 HG2 ARG A 71 -11.703 6.354 -1.520 1.00 0.81 H new ATOM 0 HG3 ARG A 71 -13.351 6.818 -1.894 1.00 0.81 H new ATOM 0 HD2 ARG A 71 -11.467 8.413 -0.114 1.00 0.97 H new ATOM 0 HD3 ARG A 71 -11.764 8.754 -1.807 1.00 0.97 H new ATOM 0 HE ARG A 71 -13.533 9.351 0.449 1.00 1.39 H new ATOM 0 HH11 ARG A 71 -13.376 8.761 -3.041 1.00 2.55 H new ATOM 0 HH12 ARG A 71 -14.840 9.690 -3.379 1.00 2.55 H new ATOM 0 HH21 ARG A 71 -15.418 10.531 -0.002 1.00 2.53 H new ATOM 0 HH22 ARG A 71 -15.989 10.686 -1.667 1.00 2.53 H new ATOM 983 N ARG A 72 -14.467 3.607 1.336 1.00 0.57 N ATOM 984 CA ARG A 72 -15.234 3.007 2.425 1.00 0.72 C ATOM 985 C ARG A 72 -14.483 1.888 3.119 1.00 0.68 C ATOM 986 O ARG A 72 -14.326 1.901 4.330 1.00 0.82 O ATOM 987 CB ARG A 72 -16.545 2.466 1.901 1.00 0.87 C ATOM 988 CG ARG A 72 -17.722 3.321 2.284 1.00 1.22 C ATOM 989 CD ARG A 72 -18.371 3.887 1.043 1.00 1.78 C ATOM 990 NE ARG A 72 -18.301 5.350 0.973 1.00 2.63 N ATOM 991 CZ ARG A 72 -19.051 6.193 1.691 1.00 3.47 C ATOM 992 NH1 ARG A 72 -19.873 5.747 2.628 1.00 3.77 N ATOM 993 NH2 ARG A 72 -18.954 7.493 1.472 1.00 4.38 N ATOM 0 H ARG A 72 -14.925 3.561 0.426 1.00 0.57 H new ATOM 0 HA ARG A 72 -15.411 3.796 3.156 1.00 0.72 H new ATOM 0 HB2 ARG A 72 -16.494 2.391 0.815 1.00 0.87 H new ATOM 0 HB3 ARG A 72 -16.695 1.456 2.283 1.00 0.87 H new ATOM 0 HG2 ARG A 72 -18.445 2.729 2.846 1.00 1.22 H new ATOM 0 HG3 ARG A 72 -17.397 4.131 2.937 1.00 1.22 H new ATOM 0 HD2 ARG A 72 -17.888 3.464 0.162 1.00 1.78 H new ATOM 0 HD3 ARG A 72 -19.416 3.577 1.013 1.00 1.78 H new ATOM 0 HE ARG A 72 -17.627 5.757 0.325 1.00 2.63 H new ATOM 0 HH11 ARG A 72 -19.942 4.746 2.812 1.00 3.77 H new ATOM 0 HH12 ARG A 72 -20.438 6.404 3.166 1.00 3.77 H new ATOM 0 HH21 ARG A 72 -18.312 7.844 0.761 1.00 4.38 H new ATOM 0 HH22 ARG A 72 -19.521 8.145 2.014 1.00 4.38 H new ATOM 1007 N ARG A 73 -14.029 0.911 2.353 1.00 0.63 N ATOM 1008 CA ARG A 73 -13.300 -0.212 2.926 1.00 0.70 C ATOM 1009 C ARG A 73 -11.823 0.141 3.047 1.00 0.53 C ATOM 1010 O ARG A 73 -11.013 -0.655 3.519 1.00 0.59 O ATOM 1011 CB ARG A 73 -13.507 -1.486 2.089 1.00 0.88 C ATOM 1012 CG ARG A 73 -12.443 -1.743 1.034 1.00 0.59 C ATOM 1013 CD ARG A 73 -12.743 -0.979 -0.238 1.00 0.71 C ATOM 1014 NE ARG A 73 -12.421 -1.769 -1.425 1.00 1.08 N ATOM 1015 CZ ARG A 73 -13.323 -2.155 -2.329 1.00 0.92 C ATOM 1016 NH1 ARG A 73 -14.576 -1.714 -2.256 1.00 1.42 N ATOM 1017 NH2 ARG A 73 -12.963 -2.965 -3.320 1.00 1.44 N ATOM 0 H ARG A 73 -14.150 0.870 1.341 1.00 0.63 H new ATOM 0 HA ARG A 73 -13.689 -0.415 3.924 1.00 0.70 H new ATOM 0 HB2 ARG A 73 -13.544 -2.343 2.762 1.00 0.88 H new ATOM 0 HB3 ARG A 73 -14.478 -1.425 1.597 1.00 0.88 H new ATOM 0 HG2 ARG A 73 -11.467 -1.448 1.418 1.00 0.59 H new ATOM 0 HG3 ARG A 73 -12.391 -2.810 0.818 1.00 0.59 H new ATOM 0 HD2 ARG A 73 -13.797 -0.703 -0.258 1.00 0.71 H new ATOM 0 HD3 ARG A 73 -12.171 -0.052 -0.250 1.00 0.71 H new ATOM 0 HE ARG A 73 -11.449 -2.041 -1.571 1.00 1.08 H new ATOM 0 HH11 ARG A 73 -14.850 -1.078 -1.507 1.00 1.42 H new ATOM 0 HH12 ARG A 73 -15.263 -2.012 -2.949 1.00 1.42 H new ATOM 0 HH21 ARG A 73 -11.999 -3.290 -3.388 1.00 1.44 H new ATOM 0 HH22 ARG A 73 -13.651 -3.261 -4.012 1.00 1.44 H new ATOM 1031 N PHE A 74 -11.490 1.355 2.613 1.00 0.36 N ATOM 1032 CA PHE A 74 -10.095 1.843 2.665 1.00 0.26 C ATOM 1033 C PHE A 74 -9.567 1.817 4.101 1.00 0.22 C ATOM 1034 O PHE A 74 -8.386 1.575 4.335 1.00 0.30 O ATOM 1035 CB PHE A 74 -9.985 3.267 2.104 1.00 0.27 C ATOM 1036 CG PHE A 74 -8.886 3.447 1.108 1.00 0.25 C ATOM 1037 CD1 PHE A 74 -7.621 2.963 1.370 1.00 0.28 C ATOM 1038 CD2 PHE A 74 -9.117 4.108 -0.086 1.00 0.29 C ATOM 1039 CE1 PHE A 74 -6.604 3.129 0.462 1.00 0.31 C ATOM 1040 CE2 PHE A 74 -8.101 4.281 -1.001 1.00 0.32 C ATOM 1041 CZ PHE A 74 -6.840 3.789 -0.727 1.00 0.30 C ATOM 0 H PHE A 74 -12.155 2.022 2.222 1.00 0.36 H new ATOM 0 HA PHE A 74 -9.491 1.177 2.049 1.00 0.26 H new ATOM 0 HB2 PHE A 74 -10.932 3.536 1.636 1.00 0.27 H new ATOM 0 HB3 PHE A 74 -9.829 3.961 2.930 1.00 0.27 H new ATOM 0 HD1 PHE A 74 -7.428 2.448 2.299 1.00 0.28 H new ATOM 0 HD2 PHE A 74 -10.103 4.492 -0.303 1.00 0.29 H new ATOM 0 HE1 PHE A 74 -5.619 2.743 0.679 1.00 0.31 H new ATOM 0 HE2 PHE A 74 -8.290 4.800 -1.929 1.00 0.32 H new ATOM 0 HZ PHE A 74 -6.041 3.920 -1.441 1.00 0.30 H new ATOM 1051 N LYS A 75 -10.457 2.097 5.048 1.00 0.23 N ATOM 1052 CA LYS A 75 -10.121 2.143 6.478 1.00 0.30 C ATOM 1053 C LYS A 75 -9.454 0.865 6.977 1.00 0.28 C ATOM 1054 O LYS A 75 -8.728 0.886 7.969 1.00 0.37 O ATOM 1055 CB LYS A 75 -11.380 2.402 7.305 1.00 0.41 C ATOM 1056 CG LYS A 75 -12.647 1.944 6.621 1.00 0.37 C ATOM 1057 CD LYS A 75 -13.559 1.190 7.570 1.00 0.82 C ATOM 1058 CE LYS A 75 -14.947 1.811 7.586 1.00 1.28 C ATOM 1059 NZ LYS A 75 -15.990 0.842 8.010 1.00 1.72 N ATOM 0 H LYS A 75 -11.437 2.300 4.850 1.00 0.23 H new ATOM 0 HA LYS A 75 -9.406 2.956 6.600 1.00 0.30 H new ATOM 0 HB2 LYS A 75 -11.288 1.892 8.264 1.00 0.41 H new ATOM 0 HB3 LYS A 75 -11.455 3.469 7.517 1.00 0.41 H new ATOM 0 HG2 LYS A 75 -13.176 2.808 6.219 1.00 0.37 H new ATOM 0 HG3 LYS A 75 -12.393 1.304 5.776 1.00 0.37 H new ATOM 0 HD2 LYS A 75 -13.626 0.145 7.266 1.00 0.82 H new ATOM 0 HD3 LYS A 75 -13.137 1.203 8.575 1.00 0.82 H new ATOM 0 HE2 LYS A 75 -14.953 2.667 8.261 1.00 1.28 H new ATOM 0 HE3 LYS A 75 -15.186 2.188 6.592 1.00 1.28 H new ATOM 0 HZ1 LYS A 75 -16.919 1.309 8.006 1.00 1.72 H new ATOM 0 HZ2 LYS A 75 -16.004 0.037 7.352 1.00 1.72 H new ATOM 0 HZ3 LYS A 75 -15.778 0.501 8.969 1.00 1.72 H new ATOM 1073 N TYR A 76 -9.691 -0.249 6.299 1.00 0.21 N ATOM 1074 CA TYR A 76 -9.092 -1.515 6.708 1.00 0.22 C ATOM 1075 C TYR A 76 -7.599 -1.546 6.361 1.00 0.20 C ATOM 1076 O TYR A 76 -6.871 -2.431 6.805 1.00 0.23 O ATOM 1077 CB TYR A 76 -9.812 -2.681 6.026 1.00 0.24 C ATOM 1078 CG TYR A 76 -11.229 -2.896 6.506 1.00 0.40 C ATOM 1079 CD1 TYR A 76 -11.482 -3.623 7.659 1.00 0.74 C ATOM 1080 CD2 TYR A 76 -12.309 -2.367 5.814 1.00 0.44 C ATOM 1081 CE1 TYR A 76 -12.771 -3.821 8.114 1.00 0.92 C ATOM 1082 CE2 TYR A 76 -13.603 -2.557 6.261 1.00 0.61 C ATOM 1083 CZ TYR A 76 -13.843 -3.297 7.367 1.00 0.79 C ATOM 1084 OH TYR A 76 -15.120 -3.486 7.857 1.00 0.99 O ATOM 0 H TYR A 76 -10.286 -0.305 5.473 1.00 0.21 H new ATOM 0 HA TYR A 76 -9.197 -1.612 7.789 1.00 0.22 H new ATOM 0 HB2 TYR A 76 -9.827 -2.506 4.950 1.00 0.24 H new ATOM 0 HB3 TYR A 76 -9.241 -3.594 6.192 1.00 0.24 H new ATOM 0 HD1 TYR A 76 -10.655 -4.043 8.212 1.00 0.74 H new ATOM 0 HD2 TYR A 76 -12.136 -1.798 4.912 1.00 0.44 H new ATOM 0 HE1 TYR A 76 -12.953 -4.368 9.027 1.00 0.92 H new ATOM 0 HE2 TYR A 76 -14.427 -2.112 5.724 1.00 0.61 H new ATOM 0 HH TYR A 76 -15.768 -3.075 7.248 1.00 0.99 H new ATOM 1094 N PHE A 77 -7.155 -0.565 5.587 1.00 0.18 N ATOM 1095 CA PHE A 77 -5.760 -0.466 5.179 1.00 0.21 C ATOM 1096 C PHE A 77 -5.047 0.649 5.933 1.00 0.24 C ATOM 1097 O PHE A 77 -3.822 0.759 5.886 1.00 0.27 O ATOM 1098 CB PHE A 77 -5.680 -0.172 3.691 1.00 0.20 C ATOM 1099 CG PHE A 77 -5.435 -1.386 2.851 1.00 0.16 C ATOM 1100 CD1 PHE A 77 -4.569 -2.385 3.271 1.00 0.17 C ATOM 1101 CD2 PHE A 77 -6.066 -1.526 1.629 1.00 0.22 C ATOM 1102 CE1 PHE A 77 -4.342 -3.495 2.486 1.00 0.19 C ATOM 1103 CE2 PHE A 77 -5.838 -2.635 0.842 1.00 0.26 C ATOM 1104 CZ PHE A 77 -4.976 -3.618 1.271 1.00 0.24 C ATOM 0 H PHE A 77 -7.749 0.182 5.226 1.00 0.18 H new ATOM 0 HA PHE A 77 -5.276 -1.416 5.406 1.00 0.21 H new ATOM 0 HB2 PHE A 77 -6.610 0.298 3.372 1.00 0.20 H new ATOM 0 HB3 PHE A 77 -4.882 0.549 3.514 1.00 0.20 H new ATOM 0 HD1 PHE A 77 -4.067 -2.292 4.223 1.00 0.17 H new ATOM 0 HD2 PHE A 77 -6.745 -0.759 1.287 1.00 0.22 H new ATOM 0 HE1 PHE A 77 -3.667 -4.267 2.824 1.00 0.19 H new ATOM 0 HE2 PHE A 77 -6.336 -2.732 -0.111 1.00 0.26 H new ATOM 0 HZ PHE A 77 -4.797 -4.486 0.654 1.00 0.24 H new ATOM 1114 N LYS A 78 -5.819 1.498 6.603 1.00 0.27 N ATOM 1115 CA LYS A 78 -5.255 2.628 7.337 1.00 0.34 C ATOM 1116 C LYS A 78 -4.246 2.178 8.393 1.00 0.37 C ATOM 1117 O LYS A 78 -3.262 2.866 8.650 1.00 0.42 O ATOM 1118 CB LYS A 78 -6.368 3.451 7.982 1.00 0.43 C ATOM 1119 CG LYS A 78 -6.547 4.818 7.345 1.00 0.68 C ATOM 1120 CD LYS A 78 -7.999 5.093 6.996 1.00 0.82 C ATOM 1121 CE LYS A 78 -8.601 6.118 7.938 1.00 0.98 C ATOM 1122 NZ LYS A 78 -10.084 6.074 7.923 1.00 1.37 N ATOM 0 H LYS A 78 -6.835 1.426 6.654 1.00 0.27 H new ATOM 0 HA LYS A 78 -4.720 3.250 6.619 1.00 0.34 H new ATOM 0 HB2 LYS A 78 -7.306 2.899 7.913 1.00 0.43 H new ATOM 0 HB3 LYS A 78 -6.150 3.577 9.042 1.00 0.43 H new ATOM 0 HG2 LYS A 78 -6.186 5.587 8.028 1.00 0.68 H new ATOM 0 HG3 LYS A 78 -5.938 4.881 6.443 1.00 0.68 H new ATOM 0 HD2 LYS A 78 -8.068 5.453 5.969 1.00 0.82 H new ATOM 0 HD3 LYS A 78 -8.571 4.166 7.048 1.00 0.82 H new ATOM 0 HE2 LYS A 78 -8.242 5.936 8.951 1.00 0.98 H new ATOM 0 HE3 LYS A 78 -8.264 7.115 7.654 1.00 0.98 H new ATOM 0 HZ1 LYS A 78 -10.461 6.873 8.471 1.00 1.37 H new ATOM 0 HZ2 LYS A 78 -10.423 6.137 6.942 1.00 1.37 H new ATOM 0 HZ3 LYS A 78 -10.409 5.181 8.345 1.00 1.37 H new ATOM 1136 N ALA A 79 -4.474 1.006 8.978 1.00 0.37 N ATOM 1137 CA ALA A 79 -3.566 0.460 9.985 1.00 0.46 C ATOM 1138 C ALA A 79 -2.238 0.070 9.348 1.00 0.41 C ATOM 1139 O ALA A 79 -1.180 0.152 9.970 1.00 0.49 O ATOM 1140 CB ALA A 79 -4.199 -0.739 10.681 1.00 0.56 C ATOM 0 H ALA A 79 -5.280 0.415 8.773 1.00 0.37 H new ATOM 0 HA ALA A 79 -3.376 1.230 10.733 1.00 0.46 H new ATOM 0 HB1 ALA A 79 -3.509 -1.133 11.427 1.00 0.56 H new ATOM 0 HB2 ALA A 79 -5.124 -0.430 11.169 1.00 0.56 H new ATOM 0 HB3 ALA A 79 -4.418 -1.513 9.945 1.00 0.56 H new ATOM 1146 N THR A 80 -2.309 -0.357 8.101 1.00 0.31 N ATOM 1147 CA THR A 80 -1.140 -0.770 7.359 1.00 0.30 C ATOM 1148 C THR A 80 -0.403 0.428 6.768 1.00 0.24 C ATOM 1149 O THR A 80 0.819 0.531 6.887 1.00 0.27 O ATOM 1150 CB THR A 80 -1.563 -1.724 6.235 1.00 0.36 C ATOM 1151 OG1 THR A 80 -2.945 -2.079 6.416 1.00 0.53 O ATOM 1152 CG2 THR A 80 -0.696 -2.978 6.228 1.00 0.46 C ATOM 0 H THR A 80 -3.181 -0.426 7.577 1.00 0.31 H new ATOM 0 HA THR A 80 -0.460 -1.277 8.044 1.00 0.30 H new ATOM 0 HB THR A 80 -1.432 -1.222 5.276 1.00 0.36 H new ATOM 0 HG1 THR A 80 -3.016 -2.780 7.097 1.00 0.53 H new ATOM 0 HG21 THR A 80 -1.017 -3.638 5.422 1.00 0.46 H new ATOM 0 HG22 THR A 80 0.347 -2.699 6.075 1.00 0.46 H new ATOM 0 HG23 THR A 80 -0.797 -3.496 7.182 1.00 0.46 H new ATOM 1160 N ILE A 81 -1.155 1.334 6.148 1.00 0.21 N ATOM 1161 CA ILE A 81 -0.590 2.532 5.540 1.00 0.24 C ATOM 1162 C ILE A 81 0.160 3.354 6.576 1.00 0.28 C ATOM 1163 O ILE A 81 1.259 3.843 6.318 1.00 0.34 O ATOM 1164 CB ILE A 81 -1.690 3.407 4.884 1.00 0.30 C ATOM 1165 CG1 ILE A 81 -2.492 2.598 3.863 1.00 0.37 C ATOM 1166 CG2 ILE A 81 -1.091 4.628 4.212 1.00 0.34 C ATOM 1167 CD1 ILE A 81 -3.803 3.245 3.477 1.00 0.55 C ATOM 0 H ILE A 81 -2.168 1.258 6.054 1.00 0.21 H new ATOM 0 HA ILE A 81 0.103 2.207 4.764 1.00 0.24 H new ATOM 0 HB ILE A 81 -2.359 3.740 5.678 1.00 0.30 H new ATOM 0 HG12 ILE A 81 -1.888 2.457 2.967 1.00 0.37 H new ATOM 0 HG13 ILE A 81 -2.691 1.607 4.272 1.00 0.37 H new ATOM 0 HG21 ILE A 81 -1.886 5.222 3.761 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -0.564 5.229 4.953 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.392 4.311 3.438 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.319 2.617 2.750 1.00 0.55 H new ATOM 0 HD12 ILE A 81 -4.426 3.361 4.364 1.00 0.55 H new ATOM 0 HD13 ILE A 81 -3.610 4.224 3.038 1.00 0.55 H new ATOM 1179 N ALA A 82 -0.435 3.490 7.757 1.00 0.31 N ATOM 1180 CA ALA A 82 0.183 4.246 8.837 1.00 0.39 C ATOM 1181 C ALA A 82 1.522 3.633 9.250 1.00 0.41 C ATOM 1182 O ALA A 82 2.533 4.331 9.354 1.00 0.53 O ATOM 1183 CB ALA A 82 -0.748 4.315 10.039 1.00 0.46 C ATOM 0 H ALA A 82 -1.343 3.087 7.989 1.00 0.31 H new ATOM 0 HA ALA A 82 0.368 5.255 8.470 1.00 0.39 H new ATOM 0 HB1 ALA A 82 -0.270 4.884 10.837 1.00 0.46 H new ATOM 0 HB2 ALA A 82 -1.678 4.805 9.751 1.00 0.46 H new ATOM 0 HB3 ALA A 82 -0.963 3.306 10.391 1.00 0.46 H new ATOM 1189 N ASP A 83 1.513 2.323 9.489 1.00 0.37 N ATOM 1190 CA ASP A 83 2.714 1.599 9.906 1.00 0.42 C ATOM 1191 C ASP A 83 3.786 1.624 8.823 1.00 0.39 C ATOM 1192 O ASP A 83 4.961 1.844 9.114 1.00 0.46 O ATOM 1193 CB ASP A 83 2.366 0.149 10.257 1.00 0.47 C ATOM 1194 CG ASP A 83 3.584 -0.643 10.690 1.00 0.80 C ATOM 1195 OD1 ASP A 83 4.227 -0.240 11.686 1.00 1.37 O ATOM 1196 OD2 ASP A 83 3.909 -1.658 10.031 1.00 1.40 O ATOM 0 H ASP A 83 0.682 1.738 9.401 1.00 0.37 H new ATOM 0 HA ASP A 83 3.111 2.100 10.789 1.00 0.42 H new ATOM 0 HB2 ASP A 83 1.625 0.138 11.056 1.00 0.47 H new ATOM 0 HB3 ASP A 83 1.910 -0.333 9.392 1.00 0.47 H new ATOM 1201 N LEU A 84 3.380 1.399 7.576 1.00 0.32 N ATOM 1202 CA LEU A 84 4.323 1.392 6.463 1.00 0.31 C ATOM 1203 C LEU A 84 4.902 2.788 6.210 1.00 0.35 C ATOM 1204 O LEU A 84 6.047 2.919 5.781 1.00 0.42 O ATOM 1205 CB LEU A 84 3.649 0.857 5.200 1.00 0.29 C ATOM 1206 CG LEU A 84 3.344 -0.642 5.222 1.00 0.36 C ATOM 1207 CD1 LEU A 84 2.271 -0.985 4.204 1.00 0.40 C ATOM 1208 CD2 LEU A 84 4.608 -1.435 4.935 1.00 0.48 C ATOM 0 H LEU A 84 2.411 1.220 7.313 1.00 0.32 H new ATOM 0 HA LEU A 84 5.149 0.733 6.729 1.00 0.31 H new ATOM 0 HB2 LEU A 84 2.717 1.401 5.044 1.00 0.29 H new ATOM 0 HB3 LEU A 84 4.290 1.071 4.345 1.00 0.29 H new ATOM 0 HG LEU A 84 2.976 -0.905 6.214 1.00 0.36 H new ATOM 0 HD11 LEU A 84 2.069 -2.056 4.235 1.00 0.40 H new ATOM 0 HD12 LEU A 84 1.359 -0.436 4.438 1.00 0.40 H new ATOM 0 HD13 LEU A 84 2.614 -0.710 3.207 1.00 0.40 H new ATOM 0 HD21 LEU A 84 4.381 -2.501 4.953 1.00 0.48 H new ATOM 0 HD22 LEU A 84 4.993 -1.163 3.952 1.00 0.48 H new ATOM 0 HD23 LEU A 84 5.358 -1.211 5.694 1.00 0.48 H new ATOM 1220 N SER A 85 4.126 3.827 6.498 1.00 0.37 N ATOM 1221 CA SER A 85 4.597 5.196 6.311 1.00 0.50 C ATOM 1222 C SER A 85 5.501 5.598 7.473 1.00 0.61 C ATOM 1223 O SER A 85 6.435 6.385 7.304 1.00 0.73 O ATOM 1224 CB SER A 85 3.411 6.156 6.194 1.00 0.57 C ATOM 1225 OG SER A 85 3.733 7.285 5.397 1.00 1.37 O ATOM 0 H SER A 85 3.175 3.750 6.859 1.00 0.37 H new ATOM 0 HA SER A 85 5.172 5.250 5.386 1.00 0.50 H new ATOM 0 HB2 SER A 85 2.560 5.633 5.759 1.00 0.57 H new ATOM 0 HB3 SER A 85 3.109 6.485 7.188 1.00 0.57 H new ATOM 0 HG SER A 85 2.955 7.878 5.340 1.00 1.37 H new ATOM 1231 N LYS A 86 5.226 5.035 8.641 1.00 0.60 N ATOM 1232 CA LYS A 86 6.014 5.308 9.833 1.00 0.74 C ATOM 1233 C LYS A 86 7.367 4.615 9.731 1.00 0.78 C ATOM 1234 O LYS A 86 8.409 5.211 10.005 1.00 0.98 O ATOM 1235 CB LYS A 86 5.279 4.823 11.082 1.00 0.75 C ATOM 1236 CG LYS A 86 4.528 5.913 11.822 1.00 1.29 C ATOM 1237 CD LYS A 86 3.503 5.326 12.780 1.00 1.79 C ATOM 1238 CE LYS A 86 3.574 5.985 14.150 1.00 2.34 C ATOM 1239 NZ LYS A 86 2.702 5.302 15.138 1.00 3.07 N ATOM 0 H LYS A 86 4.457 4.381 8.788 1.00 0.60 H new ATOM 0 HA LYS A 86 6.165 6.385 9.910 1.00 0.74 H new ATOM 0 HB2 LYS A 86 4.575 4.042 10.796 1.00 0.75 H new ATOM 0 HB3 LYS A 86 6.000 4.368 11.761 1.00 0.75 H new ATOM 0 HG2 LYS A 86 5.234 6.532 12.376 1.00 1.29 H new ATOM 0 HG3 LYS A 86 4.028 6.564 11.105 1.00 1.29 H new ATOM 0 HD2 LYS A 86 2.503 5.453 12.366 1.00 1.79 H new ATOM 0 HD3 LYS A 86 3.672 4.254 12.882 1.00 1.79 H new ATOM 0 HE2 LYS A 86 4.604 5.973 14.506 1.00 2.34 H new ATOM 0 HE3 LYS A 86 3.278 7.031 14.066 1.00 2.34 H new ATOM 0 HZ1 LYS A 86 2.779 5.781 16.058 1.00 3.07 H new ATOM 0 HZ2 LYS A 86 1.715 5.335 14.811 1.00 3.07 H new ATOM 0 HZ3 LYS A 86 3.000 4.311 15.238 1.00 3.07 H new ATOM 1253 N LYS A 87 7.345 3.350 9.328 1.00 0.75 N ATOM 1254 CA LYS A 87 8.551 2.570 9.188 1.00 0.86 C ATOM 1255 C LYS A 87 9.372 3.023 7.984 1.00 0.93 C ATOM 1256 O LYS A 87 10.584 2.822 7.948 1.00 1.11 O ATOM 1257 CB LYS A 87 8.170 1.108 9.043 1.00 0.91 C ATOM 1258 CG LYS A 87 7.726 0.474 10.343 1.00 1.01 C ATOM 1259 CD LYS A 87 8.891 -0.186 11.057 1.00 1.35 C ATOM 1260 CE LYS A 87 8.642 -0.273 12.545 1.00 2.18 C ATOM 1261 NZ LYS A 87 9.208 0.894 13.282 1.00 2.78 N ATOM 0 H LYS A 87 6.491 2.845 9.092 1.00 0.75 H new ATOM 0 HA LYS A 87 9.169 2.712 10.075 1.00 0.86 H new ATOM 0 HB2 LYS A 87 7.367 1.020 8.311 1.00 0.91 H new ATOM 0 HB3 LYS A 87 9.023 0.555 8.649 1.00 0.91 H new ATOM 0 HG2 LYS A 87 7.283 1.233 10.988 1.00 1.01 H new ATOM 0 HG3 LYS A 87 6.951 -0.267 10.144 1.00 1.01 H new ATOM 0 HD2 LYS A 87 9.049 -1.186 10.653 1.00 1.35 H new ATOM 0 HD3 LYS A 87 9.803 0.381 10.871 1.00 1.35 H new ATOM 0 HE2 LYS A 87 7.569 -0.331 12.729 1.00 2.18 H new ATOM 0 HE3 LYS A 87 9.082 -1.192 12.932 1.00 2.18 H new ATOM 0 HZ1 LYS A 87 9.013 0.791 14.298 1.00 2.78 H new ATOM 0 HZ2 LYS A 87 10.236 0.936 13.129 1.00 2.78 H new ATOM 0 HZ3 LYS A 87 8.770 1.770 12.933 1.00 2.78 H new