USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 437 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 NoAdj-H: A 141 HIS HD1 : A 141 HIS ND1 : A 191 ZNZN :(H bumps) USER MOD Set 1.1: A 160 THR OG1 : rot -80:sc= -0.588 USER MOD Set 1.2: A 169 LYS NZ :NH3+ -153:sc= 0.225 (180deg=-0.303) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot -110:sc= -0.671 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl 139:sc= -0.225 (180deg=-0.891) USER MOD Single : A 138 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0749) USER MOD Single : A 142 LYS NZ :NH3+ -157:sc= -0.058 (180deg=-0.374) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 LYS NZ :NH3+ 173:sc=-0.00582 (180deg=-0.107) USER MOD Single : A 153 SER OG : rot 180:sc= 0.00877 USER MOD Single : A 156 SER OG : rot 180:sc=-0.00165 USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 158 ASN : amide:sc= 1.48 K(o=1.5,f=-13!) USER MOD Single : A 162 LYS NZ :NH3+ 159:sc= 1.23 (180deg=1.04) USER MOD Single : A 167 TYR OH : rot 180:sc= 0 USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 174 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 ASN : amide:sc= -0.0378 X(o=-0.038,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 119 13.002 4.747 0.133 1.00 0.89 N ATOM 2 CA LYS A 119 13.524 3.411 -0.124 1.00 0.80 C ATOM 3 C LYS A 119 12.515 2.338 0.264 1.00 0.78 C ATOM 4 O LYS A 119 11.653 2.551 1.120 1.00 0.90 O ATOM 5 CB LYS A 119 14.809 3.180 0.671 1.00 0.93 C ATOM 6 CG LYS A 119 15.950 4.104 0.295 1.00 1.51 C ATOM 7 CD LYS A 119 17.153 3.877 1.187 1.00 1.54 C ATOM 8 CE LYS A 119 18.288 4.821 0.843 1.00 2.16 C ATOM 9 NZ LYS A 119 19.398 4.722 1.825 1.00 2.76 N ATOM 0 HA LYS A 119 13.726 3.342 -1.193 1.00 0.80 H new ATOM 0 HB2 LYS A 119 14.593 3.302 1.732 1.00 0.93 H new ATOM 0 HB3 LYS A 119 15.130 2.148 0.528 1.00 0.93 H new ATOM 0 HG2 LYS A 119 16.229 3.938 -0.746 1.00 1.51 H new ATOM 0 HG3 LYS A 119 15.624 5.141 0.376 1.00 1.51 H new ATOM 0 HD2 LYS A 119 16.866 4.017 2.229 1.00 1.54 H new ATOM 0 HD3 LYS A 119 17.493 2.846 1.086 1.00 1.54 H new ATOM 0 HE2 LYS A 119 18.663 4.592 -0.155 1.00 2.16 H new ATOM 0 HE3 LYS A 119 17.915 5.845 0.816 1.00 2.16 H new ATOM 0 HZ1 LYS A 119 20.157 5.381 1.559 1.00 2.76 H new ATOM 0 HZ2 LYS A 119 19.046 4.964 2.773 1.00 2.76 H new ATOM 0 HZ3 LYS A 119 19.770 3.751 1.832 1.00 2.76 H new ATOM 23 N CYS A 120 12.653 1.183 -0.369 1.00 0.70 N ATOM 24 CA CYS A 120 11.855 0.011 -0.063 1.00 0.72 C ATOM 25 C CYS A 120 12.605 -0.893 0.902 1.00 0.76 C ATOM 26 O CYS A 120 13.771 -1.230 0.667 1.00 0.80 O ATOM 27 CB CYS A 120 11.541 -0.737 -1.357 1.00 0.67 C ATOM 28 SG CYS A 120 11.201 -2.519 -1.177 1.00 0.74 S ATOM 0 H CYS A 120 13.330 1.034 -1.117 1.00 0.70 H new ATOM 0 HA CYS A 120 10.922 0.319 0.409 1.00 0.72 H new ATOM 0 HB2 CYS A 120 10.677 -0.267 -1.827 1.00 0.67 H new ATOM 0 HB3 CYS A 120 12.382 -0.613 -2.040 1.00 0.67 H new ATOM 33 N PRO A 121 11.945 -1.297 2.000 1.00 0.79 N ATOM 34 CA PRO A 121 12.549 -2.140 3.027 1.00 0.87 C ATOM 35 C PRO A 121 12.484 -3.629 2.686 1.00 0.90 C ATOM 36 O PRO A 121 12.963 -4.473 3.448 1.00 1.00 O ATOM 37 CB PRO A 121 11.687 -1.838 4.251 1.00 0.96 C ATOM 38 CG PRO A 121 10.333 -1.546 3.695 1.00 1.00 C ATOM 39 CD PRO A 121 10.546 -0.956 2.324 1.00 0.82 C ATOM 0 HA PRO A 121 13.611 -1.933 3.157 1.00 0.87 H new ATOM 0 HB2 PRO A 121 11.660 -2.686 4.936 1.00 0.96 H new ATOM 0 HB3 PRO A 121 12.077 -0.988 4.811 1.00 0.96 H new ATOM 0 HG2 PRO A 121 9.734 -2.455 3.636 1.00 1.00 H new ATOM 0 HG3 PRO A 121 9.793 -0.850 4.337 1.00 1.00 H new ATOM 0 HD2 PRO A 121 9.854 -1.379 1.596 1.00 0.82 H new ATOM 0 HD3 PRO A 121 10.388 0.123 2.325 1.00 0.82 H new ATOM 47 N ARG A 122 11.882 -3.954 1.548 1.00 0.86 N ATOM 48 CA ARG A 122 11.768 -5.343 1.129 1.00 0.94 C ATOM 49 C ARG A 122 12.966 -5.718 0.272 1.00 0.90 C ATOM 50 O ARG A 122 13.571 -6.773 0.455 1.00 1.05 O ATOM 51 CB ARG A 122 10.472 -5.570 0.348 1.00 0.98 C ATOM 52 CG ARG A 122 10.049 -7.029 0.271 1.00 0.97 C ATOM 53 CD ARG A 122 9.823 -7.604 1.660 1.00 1.11 C ATOM 54 NE ARG A 122 9.206 -8.929 1.628 1.00 1.54 N ATOM 55 CZ ARG A 122 8.580 -9.473 2.669 1.00 1.95 C ATOM 56 NH1 ARG A 122 8.537 -8.829 3.829 1.00 2.03 N ATOM 57 NH2 ARG A 122 8.017 -10.670 2.555 1.00 2.82 N ATOM 0 H ARG A 122 11.469 -3.279 0.904 1.00 0.86 H new ATOM 0 HA ARG A 122 11.746 -5.975 2.017 1.00 0.94 H new ATOM 0 HB2 ARG A 122 9.673 -4.994 0.814 1.00 0.98 H new ATOM 0 HB3 ARG A 122 10.596 -5.183 -0.664 1.00 0.98 H new ATOM 0 HG2 ARG A 122 9.135 -7.116 -0.316 1.00 0.97 H new ATOM 0 HG3 ARG A 122 10.815 -7.607 -0.246 1.00 0.97 H new ATOM 0 HD2 ARG A 122 10.777 -7.664 2.183 1.00 1.11 H new ATOM 0 HD3 ARG A 122 9.189 -6.926 2.231 1.00 1.11 H new ATOM 0 HE ARG A 122 9.258 -9.465 0.762 1.00 1.54 H new ATOM 0 HH11 ARG A 122 8.984 -7.917 3.923 1.00 2.03 H new ATOM 0 HH12 ARG A 122 8.057 -9.246 4.626 1.00 2.03 H new ATOM 0 HH21 ARG A 122 8.064 -11.173 1.669 1.00 2.82 H new ATOM 0 HH22 ARG A 122 7.537 -11.086 3.353 1.00 2.82 H new ATOM 71 N CYS A 123 13.310 -4.838 -0.657 1.00 0.76 N ATOM 72 CA CYS A 123 14.451 -5.068 -1.527 1.00 0.78 C ATOM 73 C CYS A 123 15.689 -4.342 -1.001 1.00 0.76 C ATOM 74 O CYS A 123 16.819 -4.632 -1.398 1.00 0.86 O ATOM 75 CB CYS A 123 14.123 -4.604 -2.944 1.00 0.77 C ATOM 76 SG CYS A 123 12.487 -5.153 -3.539 1.00 0.88 S ATOM 0 H CYS A 123 12.817 -3.962 -0.826 1.00 0.76 H new ATOM 0 HA CYS A 123 14.668 -6.136 -1.544 1.00 0.78 H new ATOM 0 HB2 CYS A 123 14.165 -3.515 -2.979 1.00 0.77 H new ATOM 0 HB3 CYS A 123 14.890 -4.975 -3.624 1.00 0.77 H new ATOM 81 N GLY A 124 15.454 -3.394 -0.098 1.00 0.70 N ATOM 82 CA GLY A 124 16.535 -2.627 0.492 1.00 0.73 C ATOM 83 C GLY A 124 17.114 -1.625 -0.480 1.00 0.71 C ATOM 84 O GLY A 124 18.310 -1.337 -0.446 1.00 0.85 O ATOM 0 H GLY A 124 14.524 -3.142 0.238 1.00 0.70 H new ATOM 0 HA2 GLY A 124 16.169 -2.105 1.376 1.00 0.73 H new ATOM 0 HA3 GLY A 124 17.321 -3.305 0.825 1.00 0.73 H new ATOM 88 N LYS A 125 16.263 -1.081 -1.342 1.00 0.61 N ATOM 89 CA LYS A 125 16.720 -0.200 -2.416 1.00 0.61 C ATOM 90 C LYS A 125 15.752 0.957 -2.615 1.00 0.57 C ATOM 91 O LYS A 125 14.562 0.834 -2.331 1.00 0.60 O ATOM 92 CB LYS A 125 16.878 -0.980 -3.728 1.00 0.63 C ATOM 93 CG LYS A 125 18.001 -2.009 -3.695 1.00 1.30 C ATOM 94 CD LYS A 125 18.238 -2.639 -5.060 1.00 1.71 C ATOM 95 CE LYS A 125 18.654 -1.599 -6.088 1.00 2.44 C ATOM 96 NZ LYS A 125 19.043 -2.217 -7.382 1.00 2.99 N ATOM 0 H LYS A 125 15.255 -1.232 -1.320 1.00 0.61 H new ATOM 0 HA LYS A 125 17.691 0.202 -2.127 1.00 0.61 H new ATOM 0 HB2 LYS A 125 15.940 -1.486 -3.955 1.00 0.63 H new ATOM 0 HB3 LYS A 125 17.065 -0.276 -4.539 1.00 0.63 H new ATOM 0 HG2 LYS A 125 18.919 -1.533 -3.351 1.00 1.30 H new ATOM 0 HG3 LYS A 125 17.757 -2.789 -2.973 1.00 1.30 H new ATOM 0 HD2 LYS A 125 19.011 -3.403 -4.980 1.00 1.71 H new ATOM 0 HD3 LYS A 125 17.329 -3.139 -5.394 1.00 1.71 H new ATOM 0 HE2 LYS A 125 17.832 -0.903 -6.252 1.00 2.44 H new ATOM 0 HE3 LYS A 125 19.490 -1.019 -5.698 1.00 2.44 H new ATOM 0 HZ1 LYS A 125 19.319 -1.472 -8.053 1.00 2.99 H new ATOM 0 HZ2 LYS A 125 19.845 -2.862 -7.231 1.00 2.99 H new ATOM 0 HZ3 LYS A 125 18.238 -2.750 -7.768 1.00 2.99 H new ATOM 110 N SER A 126 16.271 2.068 -3.120 1.00 0.66 N ATOM 111 CA SER A 126 15.501 3.296 -3.259 1.00 0.68 C ATOM 112 C SER A 126 14.493 3.202 -4.400 1.00 0.57 C ATOM 113 O SER A 126 14.756 2.571 -5.428 1.00 0.66 O ATOM 114 CB SER A 126 16.450 4.468 -3.500 1.00 0.89 C ATOM 115 OG SER A 126 17.519 4.452 -2.569 1.00 1.37 O ATOM 0 H SER A 126 17.235 2.143 -3.444 1.00 0.66 H new ATOM 0 HA SER A 126 14.943 3.453 -2.336 1.00 0.68 H new ATOM 0 HB2 SER A 126 16.845 4.419 -4.515 1.00 0.89 H new ATOM 0 HB3 SER A 126 15.903 5.407 -3.416 1.00 0.89 H new ATOM 0 HG SER A 126 17.419 5.200 -1.944 1.00 1.37 H new ATOM 121 N VAL A 127 13.343 3.836 -4.215 1.00 0.52 N ATOM 122 CA VAL A 127 12.292 3.832 -5.224 1.00 0.45 C ATOM 123 C VAL A 127 11.888 5.257 -5.567 1.00 0.58 C ATOM 124 O VAL A 127 11.764 6.105 -4.683 1.00 0.80 O ATOM 125 CB VAL A 127 11.038 3.073 -4.749 1.00 0.50 C ATOM 126 CG1 VAL A 127 10.043 2.912 -5.887 1.00 0.63 C ATOM 127 CG2 VAL A 127 11.407 1.722 -4.168 1.00 0.71 C ATOM 0 H VAL A 127 13.114 4.362 -3.372 1.00 0.52 H new ATOM 0 HA VAL A 127 12.697 3.326 -6.100 1.00 0.45 H new ATOM 0 HB VAL A 127 10.568 3.662 -3.962 1.00 0.50 H new ATOM 0 HG11 VAL A 127 9.165 2.373 -5.529 1.00 0.63 H new ATOM 0 HG12 VAL A 127 9.743 3.895 -6.250 1.00 0.63 H new ATOM 0 HG13 VAL A 127 10.507 2.352 -6.699 1.00 0.63 H new ATOM 0 HG21 VAL A 127 10.503 1.208 -3.841 1.00 0.71 H new ATOM 0 HG22 VAL A 127 11.910 1.124 -4.928 1.00 0.71 H new ATOM 0 HG23 VAL A 127 12.074 1.862 -3.317 1.00 0.71 H new ATOM 137 N TYR A 128 11.673 5.525 -6.844 1.00 0.60 N ATOM 138 CA TYR A 128 11.274 6.856 -7.265 1.00 0.78 C ATOM 139 C TYR A 128 9.880 6.807 -7.902 1.00 0.58 C ATOM 140 O TYR A 128 9.339 5.724 -8.108 1.00 0.48 O ATOM 141 CB TYR A 128 12.318 7.450 -8.218 1.00 1.14 C ATOM 142 CG TYR A 128 12.225 8.956 -8.355 1.00 2.06 C ATOM 143 CD1 TYR A 128 11.646 9.731 -7.361 1.00 2.80 C ATOM 144 CD2 TYR A 128 12.727 9.603 -9.480 1.00 2.76 C ATOM 145 CE1 TYR A 128 11.571 11.106 -7.481 1.00 3.75 C ATOM 146 CE2 TYR A 128 12.656 10.973 -9.609 1.00 3.69 C ATOM 147 CZ TYR A 128 12.029 11.719 -8.610 1.00 4.06 C ATOM 148 OH TYR A 128 12.003 13.094 -8.721 1.00 5.08 O ATOM 0 H TYR A 128 11.767 4.846 -7.600 1.00 0.60 H new ATOM 0 HA TYR A 128 11.220 7.510 -6.395 1.00 0.78 H new ATOM 0 HB2 TYR A 128 13.314 7.186 -7.863 1.00 1.14 H new ATOM 0 HB3 TYR A 128 12.200 6.996 -9.202 1.00 1.14 H new ATOM 0 HD1 TYR A 128 11.247 9.252 -6.479 1.00 2.80 H new ATOM 0 HD2 TYR A 128 13.181 9.020 -10.267 1.00 2.76 H new ATOM 0 HE1 TYR A 128 11.149 11.695 -6.680 1.00 3.75 H new ATOM 0 HE2 TYR A 128 13.080 11.463 -10.473 1.00 3.69 H new ATOM 0 HH TYR A 128 12.368 13.359 -9.591 1.00 5.08 H new ATOM 158 N ALA A 129 9.324 7.977 -8.224 1.00 0.69 N ATOM 159 CA ALA A 129 7.914 8.121 -8.606 1.00 0.74 C ATOM 160 C ALA A 129 7.458 7.130 -9.676 1.00 0.75 C ATOM 161 O ALA A 129 6.328 6.640 -9.620 1.00 0.87 O ATOM 162 CB ALA A 129 7.655 9.543 -9.066 1.00 0.95 C ATOM 0 H ALA A 129 9.840 8.857 -8.228 1.00 0.69 H new ATOM 0 HA ALA A 129 7.326 7.893 -7.717 1.00 0.74 H new ATOM 0 HB1 ALA A 129 6.608 9.649 -9.349 1.00 0.95 H new ATOM 0 HB2 ALA A 129 7.883 10.235 -8.255 1.00 0.95 H new ATOM 0 HB3 ALA A 129 8.288 9.769 -9.924 1.00 0.95 H new ATOM 168 N ALA A 130 8.331 6.832 -10.631 1.00 0.80 N ATOM 169 CA ALA A 130 8.005 5.935 -11.738 1.00 1.00 C ATOM 170 C ALA A 130 7.499 4.576 -11.257 1.00 0.91 C ATOM 171 O ALA A 130 6.665 3.948 -11.915 1.00 1.16 O ATOM 172 CB ALA A 130 9.217 5.748 -12.634 1.00 1.21 C ATOM 0 H ALA A 130 9.281 7.202 -10.662 1.00 0.80 H new ATOM 0 HA ALA A 130 7.198 6.402 -12.302 1.00 1.00 H new ATOM 0 HB1 ALA A 130 8.962 5.078 -13.455 1.00 1.21 H new ATOM 0 HB2 ALA A 130 9.525 6.713 -13.036 1.00 1.21 H new ATOM 0 HB3 ALA A 130 10.035 5.318 -12.055 1.00 1.21 H new ATOM 178 N GLU A 131 7.996 4.119 -10.117 1.00 0.68 N ATOM 179 CA GLU A 131 7.582 2.836 -9.569 1.00 0.65 C ATOM 180 C GLU A 131 7.129 3.005 -8.121 1.00 0.46 C ATOM 181 O GLU A 131 6.989 2.031 -7.385 1.00 0.50 O ATOM 182 CB GLU A 131 8.736 1.829 -9.640 1.00 0.87 C ATOM 183 CG GLU A 131 8.278 0.379 -9.667 1.00 1.41 C ATOM 184 CD GLU A 131 7.437 0.069 -10.887 1.00 1.70 C ATOM 185 OE1 GLU A 131 6.203 0.225 -10.818 1.00 2.44 O ATOM 186 OE2 GLU A 131 8.002 -0.341 -11.921 1.00 1.99 O ATOM 0 H GLU A 131 8.686 4.617 -9.554 1.00 0.68 H new ATOM 0 HA GLU A 131 6.748 2.458 -10.161 1.00 0.65 H new ATOM 0 HB2 GLU A 131 9.329 2.031 -10.532 1.00 0.87 H new ATOM 0 HB3 GLU A 131 9.391 1.979 -8.782 1.00 0.87 H new ATOM 0 HG2 GLU A 131 9.149 -0.276 -9.652 1.00 1.41 H new ATOM 0 HG3 GLU A 131 7.702 0.164 -8.767 1.00 1.41 H new ATOM 193 N LYS A 132 6.895 4.249 -7.721 1.00 0.44 N ATOM 194 CA LYS A 132 6.564 4.557 -6.334 1.00 0.42 C ATOM 195 C LYS A 132 5.139 4.123 -5.985 1.00 0.44 C ATOM 196 O LYS A 132 4.182 4.878 -6.161 1.00 0.58 O ATOM 197 CB LYS A 132 6.755 6.061 -6.052 1.00 0.55 C ATOM 198 CG LYS A 132 6.268 6.514 -4.684 1.00 0.65 C ATOM 199 CD LYS A 132 6.519 8.001 -4.472 1.00 1.05 C ATOM 200 CE LYS A 132 7.993 8.342 -4.614 1.00 1.58 C ATOM 201 NZ LYS A 132 8.263 9.780 -4.350 1.00 2.18 N ATOM 0 H LYS A 132 6.928 5.061 -8.337 1.00 0.44 H new ATOM 0 HA LYS A 132 7.247 3.992 -5.699 1.00 0.42 H new ATOM 0 HB2 LYS A 132 7.814 6.303 -6.145 1.00 0.55 H new ATOM 0 HB3 LYS A 132 6.229 6.631 -6.818 1.00 0.55 H new ATOM 0 HG2 LYS A 132 5.202 6.305 -4.588 1.00 0.65 H new ATOM 0 HG3 LYS A 132 6.776 5.943 -3.907 1.00 0.65 H new ATOM 0 HD2 LYS A 132 5.940 8.576 -5.195 1.00 1.05 H new ATOM 0 HD3 LYS A 132 6.171 8.292 -3.481 1.00 1.05 H new ATOM 0 HE2 LYS A 132 8.574 7.732 -3.922 1.00 1.58 H new ATOM 0 HE3 LYS A 132 8.328 8.090 -5.620 1.00 1.58 H new ATOM 0 HZ1 LYS A 132 9.280 9.968 -4.458 1.00 2.18 H new ATOM 0 HZ2 LYS A 132 7.730 10.363 -5.026 1.00 2.18 H new ATOM 0 HZ3 LYS A 132 7.968 10.016 -3.381 1.00 2.18 H new ATOM 215 N VAL A 133 5.013 2.894 -5.512 1.00 0.39 N ATOM 216 CA VAL A 133 3.779 2.425 -4.904 1.00 0.44 C ATOM 217 C VAL A 133 3.915 2.526 -3.391 1.00 0.44 C ATOM 218 O VAL A 133 4.728 1.838 -2.781 1.00 0.50 O ATOM 219 CB VAL A 133 3.433 0.977 -5.325 1.00 0.49 C ATOM 220 CG1 VAL A 133 2.914 0.953 -6.752 1.00 1.02 C ATOM 221 CG2 VAL A 133 4.642 0.059 -5.199 1.00 0.88 C ATOM 0 H VAL A 133 5.758 2.198 -5.538 1.00 0.39 H new ATOM 0 HA VAL A 133 2.959 3.053 -5.252 1.00 0.44 H new ATOM 0 HB VAL A 133 2.656 0.612 -4.653 1.00 0.49 H new ATOM 0 HG11 VAL A 133 2.675 -0.072 -7.035 1.00 1.02 H new ATOM 0 HG12 VAL A 133 2.017 1.568 -6.823 1.00 1.02 H new ATOM 0 HG13 VAL A 133 3.678 1.346 -7.423 1.00 1.02 H new ATOM 0 HG21 VAL A 133 4.365 -0.951 -5.502 1.00 0.88 H new ATOM 0 HG22 VAL A 133 5.444 0.424 -5.841 1.00 0.88 H new ATOM 0 HG23 VAL A 133 4.983 0.046 -4.164 1.00 0.88 H new ATOM 231 N MET A 134 3.142 3.408 -2.786 1.00 0.54 N ATOM 232 CA MET A 134 3.380 3.779 -1.399 1.00 0.60 C ATOM 233 C MET A 134 2.754 2.799 -0.415 1.00 0.57 C ATOM 234 O MET A 134 1.583 2.927 -0.055 1.00 0.75 O ATOM 235 CB MET A 134 2.869 5.194 -1.125 1.00 0.83 C ATOM 236 CG MET A 134 3.642 6.269 -1.875 1.00 1.14 C ATOM 237 SD MET A 134 3.155 7.940 -1.400 1.00 1.65 S ATOM 238 CE MET A 134 3.619 7.954 0.330 1.00 1.78 C ATOM 0 H MET A 134 2.351 3.878 -3.226 1.00 0.54 H new ATOM 0 HA MET A 134 4.459 3.747 -1.247 1.00 0.60 H new ATOM 0 HB2 MET A 134 1.817 5.253 -1.402 1.00 0.83 H new ATOM 0 HB3 MET A 134 2.928 5.393 -0.055 1.00 0.83 H new ATOM 0 HG2 MET A 134 4.708 6.140 -1.689 1.00 1.14 H new ATOM 0 HG3 MET A 134 3.487 6.141 -2.946 1.00 1.14 H new ATOM 0 HE1 MET A 134 4.074 8.913 0.577 1.00 1.78 H new ATOM 0 HE2 MET A 134 2.732 7.803 0.946 1.00 1.78 H new ATOM 0 HE3 MET A 134 4.334 7.154 0.521 1.00 1.78 H new ATOM 248 N GLY A 135 3.542 1.819 0.013 1.00 0.50 N ATOM 249 CA GLY A 135 3.146 0.992 1.129 1.00 0.61 C ATOM 250 C GLY A 135 3.280 1.754 2.427 1.00 0.70 C ATOM 251 O GLY A 135 4.396 1.998 2.896 1.00 0.77 O ATOM 0 H GLY A 135 4.447 1.585 -0.395 1.00 0.50 H new ATOM 0 HA2 GLY A 135 2.115 0.664 0.998 1.00 0.61 H new ATOM 0 HA3 GLY A 135 3.764 0.095 1.162 1.00 0.61 H new ATOM 255 N GLY A 136 2.151 2.172 2.977 1.00 0.85 N ATOM 256 CA GLY A 136 2.168 2.990 4.170 1.00 1.03 C ATOM 257 C GLY A 136 2.583 4.412 3.856 1.00 1.08 C ATOM 258 O GLY A 136 1.759 5.232 3.448 1.00 1.72 O ATOM 0 H GLY A 136 1.221 1.958 2.617 1.00 0.85 H new ATOM 0 HA2 GLY A 136 1.179 2.990 4.628 1.00 1.03 H new ATOM 0 HA3 GLY A 136 2.856 2.560 4.898 1.00 1.03 H new ATOM 262 N GLY A 137 3.861 4.701 4.029 1.00 0.94 N ATOM 263 CA GLY A 137 4.371 6.019 3.719 1.00 0.98 C ATOM 264 C GLY A 137 5.694 5.966 2.987 1.00 0.87 C ATOM 265 O GLY A 137 6.459 6.933 3.002 1.00 1.04 O ATOM 0 H GLY A 137 4.558 4.044 4.380 1.00 0.94 H new ATOM 0 HA2 GLY A 137 3.642 6.554 3.110 1.00 0.98 H new ATOM 0 HA3 GLY A 137 4.492 6.586 4.642 1.00 0.98 H new ATOM 269 N LYS A 138 5.972 4.834 2.353 1.00 0.71 N ATOM 270 CA LYS A 138 7.224 4.649 1.623 1.00 0.71 C ATOM 271 C LYS A 138 6.964 4.031 0.255 1.00 0.53 C ATOM 272 O LYS A 138 6.108 3.160 0.121 1.00 0.52 O ATOM 273 CB LYS A 138 8.175 3.749 2.418 1.00 0.92 C ATOM 274 CG LYS A 138 8.700 4.385 3.694 1.00 1.15 C ATOM 275 CD LYS A 138 9.625 3.443 4.449 1.00 1.46 C ATOM 276 CE LYS A 138 10.344 4.156 5.586 1.00 2.11 C ATOM 277 NZ LYS A 138 9.396 4.806 6.531 1.00 2.69 N ATOM 0 H LYS A 138 5.348 4.028 2.328 1.00 0.71 H new ATOM 0 HA LYS A 138 7.684 5.628 1.487 1.00 0.71 H new ATOM 0 HB2 LYS A 138 7.658 2.824 2.671 1.00 0.92 H new ATOM 0 HB3 LYS A 138 9.019 3.479 1.784 1.00 0.92 H new ATOM 0 HG2 LYS A 138 9.235 5.303 3.450 1.00 1.15 H new ATOM 0 HG3 LYS A 138 7.863 4.664 4.334 1.00 1.15 H new ATOM 0 HD2 LYS A 138 9.048 2.609 4.849 1.00 1.46 H new ATOM 0 HD3 LYS A 138 10.358 3.023 3.761 1.00 1.46 H new ATOM 0 HE2 LYS A 138 10.962 3.440 6.129 1.00 2.11 H new ATOM 0 HE3 LYS A 138 11.016 4.908 5.173 1.00 2.11 H new ATOM 0 HZ1 LYS A 138 9.913 5.131 7.373 1.00 2.69 H new ATOM 0 HZ2 LYS A 138 8.945 5.620 6.066 1.00 2.69 H new ATOM 0 HZ3 LYS A 138 8.666 4.122 6.816 1.00 2.69 H new ATOM 291 N PRO A 139 7.664 4.509 -0.790 1.00 0.51 N ATOM 292 CA PRO A 139 7.660 3.872 -2.109 1.00 0.46 C ATOM 293 C PRO A 139 8.231 2.461 -2.083 1.00 0.39 C ATOM 294 O PRO A 139 9.345 2.234 -1.611 1.00 0.51 O ATOM 295 CB PRO A 139 8.572 4.772 -2.950 1.00 0.60 C ATOM 296 CG PRO A 139 9.394 5.500 -1.955 1.00 0.72 C ATOM 297 CD PRO A 139 8.473 5.738 -0.801 1.00 0.63 C ATOM 0 HA PRO A 139 6.645 3.773 -2.494 1.00 0.46 H new ATOM 0 HB2 PRO A 139 9.194 4.186 -3.626 1.00 0.60 H new ATOM 0 HB3 PRO A 139 7.993 5.460 -3.566 1.00 0.60 H new ATOM 0 HG2 PRO A 139 10.262 4.914 -1.654 1.00 0.72 H new ATOM 0 HG3 PRO A 139 9.769 6.439 -2.362 1.00 0.72 H new ATOM 0 HD2 PRO A 139 9.018 5.875 0.133 1.00 0.63 H new ATOM 0 HD3 PRO A 139 7.860 6.628 -0.946 1.00 0.63 H new ATOM 305 N TRP A 140 7.447 1.528 -2.578 1.00 0.34 N ATOM 306 CA TRP A 140 7.889 0.163 -2.772 1.00 0.33 C ATOM 307 C TRP A 140 8.039 -0.092 -4.264 1.00 0.31 C ATOM 308 O TRP A 140 7.885 0.824 -5.067 1.00 0.38 O ATOM 309 CB TRP A 140 6.870 -0.811 -2.177 1.00 0.40 C ATOM 310 CG TRP A 140 6.799 -0.792 -0.679 1.00 0.44 C ATOM 311 CD1 TRP A 140 6.466 0.258 0.123 1.00 0.54 C ATOM 312 CD2 TRP A 140 7.046 -1.892 0.190 1.00 0.51 C ATOM 313 NE1 TRP A 140 6.500 -0.125 1.442 1.00 0.61 N ATOM 314 CE2 TRP A 140 6.855 -1.446 1.507 1.00 0.58 C ATOM 315 CE3 TRP A 140 7.411 -3.214 -0.027 1.00 0.62 C ATOM 316 CZ2 TRP A 140 7.023 -2.280 2.608 1.00 0.69 C ATOM 317 CZ3 TRP A 140 7.578 -4.047 1.061 1.00 0.76 C ATOM 318 CH2 TRP A 140 7.385 -3.577 2.366 1.00 0.78 C ATOM 0 H TRP A 140 6.481 1.695 -2.859 1.00 0.34 H new ATOM 0 HA TRP A 140 8.845 0.011 -2.270 1.00 0.33 H new ATOM 0 HB2 TRP A 140 5.884 -0.577 -2.579 1.00 0.40 H new ATOM 0 HB3 TRP A 140 7.116 -1.821 -2.505 1.00 0.40 H new ATOM 0 HD1 TRP A 140 6.212 1.248 -0.227 1.00 0.54 H new ATOM 0 HE1 TRP A 140 6.295 0.475 2.241 1.00 0.61 H new ATOM 0 HE3 TRP A 140 7.562 -3.584 -1.030 1.00 0.62 H new ATOM 0 HZ2 TRP A 140 6.873 -1.918 3.614 1.00 0.69 H new ATOM 0 HZ3 TRP A 140 7.862 -5.077 0.903 1.00 0.76 H new ATOM 0 HH2 TRP A 140 7.525 -4.252 3.198 1.00 0.78 H new ATOM 329 N HIS A 141 8.323 -1.325 -4.636 1.00 0.34 N ATOM 330 CA HIS A 141 8.426 -1.688 -6.043 1.00 0.34 C ATOM 331 C HIS A 141 7.193 -2.466 -6.431 1.00 0.40 C ATOM 332 O HIS A 141 6.711 -3.278 -5.659 1.00 0.51 O ATOM 333 CB HIS A 141 9.651 -2.565 -6.303 1.00 0.42 C ATOM 334 CG HIS A 141 10.957 -1.930 -5.958 1.00 0.47 C ATOM 335 ND1 HIS A 141 11.428 -1.914 -4.674 1.00 0.68 N ATOM 336 CD2 HIS A 141 11.867 -1.331 -6.767 1.00 0.70 C ATOM 337 CE1 HIS A 141 12.608 -1.326 -4.714 1.00 0.71 C ATOM 338 NE2 HIS A 141 12.922 -0.948 -5.967 1.00 0.72 N ATOM 0 H HIS A 141 8.487 -2.095 -3.987 1.00 0.34 H new ATOM 0 HA HIS A 141 8.520 -0.774 -6.629 1.00 0.34 H new ATOM 0 HB2 HIS A 141 9.549 -3.487 -5.731 1.00 0.42 H new ATOM 0 HB3 HIS A 141 9.665 -2.843 -7.357 1.00 0.42 H new ATOM 0 HD2 HIS A 141 11.781 -1.183 -7.833 1.00 0.70 H new ATOM 0 HE1 HIS A 141 13.240 -1.168 -3.853 1.00 0.71 H new ATOM 0 HE2 HIS A 141 13.773 -0.472 -6.266 1.00 0.72 H new ATOM 346 N LYS A 142 6.691 -2.235 -7.628 1.00 0.49 N ATOM 347 CA LYS A 142 5.544 -2.986 -8.124 1.00 0.65 C ATOM 348 C LYS A 142 5.864 -4.483 -8.194 1.00 0.71 C ATOM 349 O LYS A 142 4.965 -5.316 -8.291 1.00 0.89 O ATOM 350 CB LYS A 142 5.132 -2.462 -9.497 1.00 0.85 C ATOM 351 CG LYS A 142 3.711 -2.824 -9.891 1.00 1.52 C ATOM 352 CD LYS A 142 2.718 -2.386 -8.828 1.00 1.88 C ATOM 353 CE LYS A 142 1.321 -2.232 -9.400 1.00 2.60 C ATOM 354 NZ LYS A 142 1.235 -1.074 -10.327 1.00 3.19 N ATOM 0 H LYS A 142 7.054 -1.537 -8.277 1.00 0.49 H new ATOM 0 HA LYS A 142 4.713 -2.850 -7.431 1.00 0.65 H new ATOM 0 HB2 LYS A 142 5.237 -1.377 -9.508 1.00 0.85 H new ATOM 0 HB3 LYS A 142 5.818 -2.856 -10.247 1.00 0.85 H new ATOM 0 HG2 LYS A 142 3.463 -2.351 -10.841 1.00 1.52 H new ATOM 0 HG3 LYS A 142 3.636 -3.901 -10.041 1.00 1.52 H new ATOM 0 HD2 LYS A 142 2.703 -3.117 -8.020 1.00 1.88 H new ATOM 0 HD3 LYS A 142 3.041 -1.439 -8.395 1.00 1.88 H new ATOM 0 HE2 LYS A 142 1.041 -3.143 -9.928 1.00 2.60 H new ATOM 0 HE3 LYS A 142 0.606 -2.102 -8.587 1.00 2.60 H new ATOM 0 HZ1 LYS A 142 0.247 -0.755 -10.394 1.00 3.19 H new ATOM 0 HZ2 LYS A 142 1.826 -0.297 -9.968 1.00 3.19 H new ATOM 0 HZ3 LYS A 142 1.571 -1.358 -11.269 1.00 3.19 H new ATOM 368 N THR A 143 7.153 -4.806 -8.149 1.00 0.69 N ATOM 369 CA THR A 143 7.606 -6.185 -8.181 1.00 0.84 C ATOM 370 C THR A 143 7.526 -6.836 -6.795 1.00 0.84 C ATOM 371 O THR A 143 7.283 -8.032 -6.678 1.00 1.10 O ATOM 372 CB THR A 143 9.052 -6.261 -8.700 1.00 0.95 C ATOM 373 OG1 THR A 143 9.183 -5.450 -9.875 1.00 1.38 O ATOM 374 CG2 THR A 143 9.442 -7.696 -9.025 1.00 1.47 C ATOM 0 H THR A 143 7.906 -4.121 -8.090 1.00 0.69 H new ATOM 0 HA THR A 143 6.946 -6.730 -8.856 1.00 0.84 H new ATOM 0 HB THR A 143 9.717 -5.893 -7.919 1.00 0.95 H new ATOM 0 HG1 THR A 143 10.105 -5.497 -10.204 1.00 1.38 H new ATOM 0 HG21 THR A 143 10.469 -7.720 -9.390 1.00 1.47 H new ATOM 0 HG22 THR A 143 9.362 -8.307 -8.126 1.00 1.47 H new ATOM 0 HG23 THR A 143 8.775 -8.089 -9.792 1.00 1.47 H new ATOM 382 N CYS A 144 7.731 -6.050 -5.747 1.00 0.68 N ATOM 383 CA CYS A 144 7.701 -6.578 -4.390 1.00 0.76 C ATOM 384 C CYS A 144 6.364 -6.266 -3.725 1.00 0.81 C ATOM 385 O CYS A 144 5.921 -6.984 -2.823 1.00 0.96 O ATOM 386 CB CYS A 144 8.841 -5.977 -3.576 1.00 0.73 C ATOM 387 SG CYS A 144 8.844 -4.162 -3.579 1.00 1.14 S ATOM 0 H CYS A 144 7.919 -5.049 -5.809 1.00 0.68 H new ATOM 0 HA CYS A 144 7.823 -7.660 -4.433 1.00 0.76 H new ATOM 0 HB2 CYS A 144 8.771 -6.332 -2.548 1.00 0.73 H new ATOM 0 HB3 CYS A 144 9.791 -6.336 -3.973 1.00 0.73 H new ATOM 392 N PHE A 145 5.737 -5.192 -4.183 1.00 0.80 N ATOM 393 CA PHE A 145 4.460 -4.738 -3.658 1.00 0.86 C ATOM 394 C PHE A 145 3.344 -5.633 -4.166 1.00 0.79 C ATOM 395 O PHE A 145 2.502 -5.224 -4.973 1.00 0.81 O ATOM 396 CB PHE A 145 4.211 -3.292 -4.076 1.00 0.94 C ATOM 397 CG PHE A 145 3.311 -2.544 -3.147 1.00 0.97 C ATOM 398 CD1 PHE A 145 3.746 -2.214 -1.880 1.00 1.03 C ATOM 399 CD2 PHE A 145 2.039 -2.168 -3.538 1.00 1.05 C ATOM 400 CE1 PHE A 145 2.934 -1.521 -1.016 1.00 1.10 C ATOM 401 CE2 PHE A 145 1.219 -1.472 -2.674 1.00 1.13 C ATOM 402 CZ PHE A 145 1.669 -1.148 -1.411 1.00 1.13 C ATOM 0 H PHE A 145 6.104 -4.608 -4.935 1.00 0.80 H new ATOM 0 HA PHE A 145 4.482 -4.789 -2.569 1.00 0.86 H new ATOM 0 HB2 PHE A 145 5.167 -2.772 -4.139 1.00 0.94 H new ATOM 0 HB3 PHE A 145 3.776 -3.282 -5.075 1.00 0.94 H new ATOM 0 HD1 PHE A 145 4.737 -2.504 -1.564 1.00 1.03 H new ATOM 0 HD2 PHE A 145 1.685 -2.421 -4.527 1.00 1.05 H new ATOM 0 HE1 PHE A 145 3.288 -1.269 -0.027 1.00 1.10 H new ATOM 0 HE2 PHE A 145 0.227 -1.181 -2.986 1.00 1.13 H new ATOM 0 HZ PHE A 145 1.030 -0.602 -0.733 1.00 1.13 H new ATOM 412 N ARG A 146 3.362 -6.860 -3.699 1.00 0.76 N ATOM 413 CA ARG A 146 2.393 -7.856 -4.094 1.00 0.69 C ATOM 414 C ARG A 146 2.152 -8.809 -2.943 1.00 0.66 C ATOM 415 O ARG A 146 3.098 -9.344 -2.356 1.00 0.95 O ATOM 416 CB ARG A 146 2.873 -8.618 -5.338 1.00 0.77 C ATOM 417 CG ARG A 146 4.258 -9.229 -5.205 1.00 1.08 C ATOM 418 CD ARG A 146 4.639 -10.020 -6.445 1.00 1.13 C ATOM 419 NE ARG A 146 6.026 -10.473 -6.400 1.00 1.61 N ATOM 420 CZ ARG A 146 6.588 -11.268 -7.308 1.00 1.86 C ATOM 421 NH1 ARG A 146 5.869 -11.744 -8.319 1.00 1.73 N ATOM 422 NH2 ARG A 146 7.872 -11.586 -7.197 1.00 2.78 N ATOM 0 H ARG A 146 4.054 -7.197 -3.030 1.00 0.76 H new ATOM 0 HA ARG A 146 1.456 -7.360 -4.348 1.00 0.69 H new ATOM 0 HB2 ARG A 146 2.159 -9.411 -5.561 1.00 0.77 H new ATOM 0 HB3 ARG A 146 2.870 -7.938 -6.190 1.00 0.77 H new ATOM 0 HG2 ARG A 146 4.990 -8.440 -5.036 1.00 1.08 H new ATOM 0 HG3 ARG A 146 4.287 -9.882 -4.333 1.00 1.08 H new ATOM 0 HD2 ARG A 146 3.979 -10.882 -6.542 1.00 1.13 H new ATOM 0 HD3 ARG A 146 4.488 -9.402 -7.330 1.00 1.13 H new ATOM 0 HE ARG A 146 6.604 -10.159 -5.620 1.00 1.61 H new ATOM 0 HH11 ARG A 146 4.882 -11.501 -8.402 1.00 1.73 H new ATOM 0 HH12 ARG A 146 6.304 -12.353 -9.012 1.00 1.73 H new ATOM 0 HH21 ARG A 146 8.422 -11.222 -6.419 1.00 2.78 H new ATOM 0 HH22 ARG A 146 8.308 -12.195 -7.889 1.00 2.78 H new ATOM 436 N CYS A 147 0.892 -9.001 -2.599 1.00 0.42 N ATOM 437 CA CYS A 147 0.553 -9.872 -1.500 1.00 0.43 C ATOM 438 C CYS A 147 0.803 -11.316 -1.889 1.00 0.52 C ATOM 439 O CYS A 147 0.426 -11.763 -2.986 1.00 0.53 O ATOM 440 CB CYS A 147 -0.889 -9.649 -1.056 1.00 0.43 C ATOM 441 SG CYS A 147 -1.943 -11.127 -1.103 1.00 0.68 S ATOM 0 H CYS A 147 0.095 -8.567 -3.064 1.00 0.42 H new ATOM 0 HA CYS A 147 1.192 -9.635 -0.649 1.00 0.43 H new ATOM 0 HB2 CYS A 147 -0.884 -9.257 -0.039 1.00 0.43 H new ATOM 0 HB3 CYS A 147 -1.335 -8.883 -1.691 1.00 0.43 H new ATOM 446 N ALA A 148 1.470 -12.022 -0.983 1.00 0.67 N ATOM 447 CA ALA A 148 1.881 -13.398 -1.201 1.00 0.82 C ATOM 448 C ALA A 148 0.706 -14.361 -1.111 1.00 0.84 C ATOM 449 O ALA A 148 0.840 -15.541 -1.434 1.00 0.98 O ATOM 450 CB ALA A 148 2.950 -13.782 -0.193 1.00 1.02 C ATOM 0 H ALA A 148 1.741 -11.651 -0.072 1.00 0.67 H new ATOM 0 HA ALA A 148 2.287 -13.469 -2.210 1.00 0.82 H new ATOM 0 HB1 ALA A 148 3.254 -14.815 -0.361 1.00 1.02 H new ATOM 0 HB2 ALA A 148 3.813 -13.126 -0.310 1.00 1.02 H new ATOM 0 HB3 ALA A 148 2.551 -13.681 0.816 1.00 1.02 H new ATOM 456 N ILE A 149 -0.448 -13.862 -0.677 1.00 0.76 N ATOM 457 CA ILE A 149 -1.626 -14.702 -0.541 1.00 0.84 C ATOM 458 C ILE A 149 -2.133 -15.116 -1.916 1.00 0.85 C ATOM 459 O ILE A 149 -2.489 -16.276 -2.133 1.00 1.00 O ATOM 460 CB ILE A 149 -2.759 -13.996 0.244 1.00 0.82 C ATOM 461 CG1 ILE A 149 -2.321 -13.734 1.688 1.00 0.86 C ATOM 462 CG2 ILE A 149 -4.042 -14.824 0.214 1.00 0.97 C ATOM 463 CD1 ILE A 149 -3.387 -13.074 2.538 1.00 1.02 C ATOM 0 H ILE A 149 -0.589 -12.886 -0.416 1.00 0.76 H new ATOM 0 HA ILE A 149 -1.332 -15.585 0.026 1.00 0.84 H new ATOM 0 HB ILE A 149 -2.964 -13.040 -0.237 1.00 0.82 H new ATOM 0 HG12 ILE A 149 -2.035 -14.680 2.149 1.00 0.86 H new ATOM 0 HG13 ILE A 149 -1.433 -13.102 1.680 1.00 0.86 H new ATOM 0 HG21 ILE A 149 -4.822 -14.307 0.772 1.00 0.97 H new ATOM 0 HG22 ILE A 149 -4.364 -14.959 -0.819 1.00 0.97 H new ATOM 0 HG23 ILE A 149 -3.857 -15.798 0.667 1.00 0.97 H new ATOM 0 HD11 ILE A 149 -3.004 -12.920 3.547 1.00 1.02 H new ATOM 0 HD12 ILE A 149 -3.656 -12.112 2.102 1.00 1.02 H new ATOM 0 HD13 ILE A 149 -4.268 -13.714 2.578 1.00 1.02 H new ATOM 475 N CYS A 150 -2.131 -14.177 -2.852 1.00 0.73 N ATOM 476 CA CYS A 150 -2.629 -14.452 -4.177 1.00 0.79 C ATOM 477 C CYS A 150 -1.517 -14.307 -5.209 1.00 0.75 C ATOM 478 O CYS A 150 -1.568 -14.889 -6.295 1.00 0.87 O ATOM 479 CB CYS A 150 -3.766 -13.493 -4.497 1.00 0.78 C ATOM 480 SG CYS A 150 -3.253 -11.750 -4.552 1.00 0.82 S ATOM 0 H CYS A 150 -1.791 -13.226 -2.712 1.00 0.73 H new ATOM 0 HA CYS A 150 -2.996 -15.478 -4.212 1.00 0.79 H new ATOM 0 HB2 CYS A 150 -4.201 -13.766 -5.459 1.00 0.78 H new ATOM 0 HB3 CYS A 150 -4.550 -13.609 -3.748 1.00 0.78 H new ATOM 485 N GLY A 151 -0.508 -13.524 -4.848 1.00 0.66 N ATOM 486 CA GLY A 151 0.572 -13.226 -5.759 1.00 0.70 C ATOM 487 C GLY A 151 0.242 -12.028 -6.624 1.00 0.66 C ATOM 488 O GLY A 151 0.706 -11.922 -7.758 1.00 0.76 O ATOM 0 H GLY A 151 -0.422 -13.088 -3.930 1.00 0.66 H new ATOM 0 HA2 GLY A 151 1.484 -13.031 -5.195 1.00 0.70 H new ATOM 0 HA3 GLY A 151 0.768 -14.092 -6.391 1.00 0.70 H new ATOM 492 N LYS A 152 -0.563 -11.117 -6.086 1.00 0.58 N ATOM 493 CA LYS A 152 -1.043 -9.976 -6.869 1.00 0.64 C ATOM 494 C LYS A 152 -0.382 -8.673 -6.440 1.00 0.56 C ATOM 495 O LYS A 152 -0.264 -8.388 -5.249 1.00 0.50 O ATOM 496 CB LYS A 152 -2.564 -9.837 -6.768 1.00 0.80 C ATOM 497 CG LYS A 152 -3.132 -8.595 -7.434 1.00 0.89 C ATOM 498 CD LYS A 152 -4.631 -8.491 -7.200 1.00 1.39 C ATOM 499 CE LYS A 152 -5.204 -7.195 -7.751 1.00 1.75 C ATOM 500 NZ LYS A 152 -4.965 -7.052 -9.210 1.00 2.37 N ATOM 0 H LYS A 152 -0.896 -11.142 -5.122 1.00 0.58 H new ATOM 0 HA LYS A 152 -0.770 -10.173 -7.906 1.00 0.64 H new ATOM 0 HB2 LYS A 152 -3.026 -10.717 -7.216 1.00 0.80 H new ATOM 0 HB3 LYS A 152 -2.846 -9.830 -5.715 1.00 0.80 H new ATOM 0 HG2 LYS A 152 -2.636 -7.708 -7.041 1.00 0.89 H new ATOM 0 HG3 LYS A 152 -2.928 -8.626 -8.504 1.00 0.89 H new ATOM 0 HD2 LYS A 152 -5.131 -9.338 -7.670 1.00 1.39 H new ATOM 0 HD3 LYS A 152 -4.836 -8.553 -6.131 1.00 1.39 H new ATOM 0 HE2 LYS A 152 -6.276 -7.161 -7.555 1.00 1.75 H new ATOM 0 HE3 LYS A 152 -4.757 -6.350 -7.227 1.00 1.75 H new ATOM 0 HZ1 LYS A 152 -5.472 -6.216 -9.565 1.00 2.37 H new ATOM 0 HZ2 LYS A 152 -3.946 -6.939 -9.385 1.00 2.37 H new ATOM 0 HZ3 LYS A 152 -5.309 -7.901 -9.703 1.00 2.37 H new ATOM 514 N SER A 153 0.037 -7.890 -7.426 1.00 0.67 N ATOM 515 CA SER A 153 0.657 -6.595 -7.181 1.00 0.73 C ATOM 516 C SER A 153 -0.407 -5.528 -6.927 1.00 0.76 C ATOM 517 O SER A 153 -1.472 -5.538 -7.550 1.00 0.94 O ATOM 518 CB SER A 153 1.539 -6.208 -8.372 1.00 0.91 C ATOM 519 OG SER A 153 0.831 -6.338 -9.596 1.00 1.46 O ATOM 0 H SER A 153 -0.043 -8.133 -8.413 1.00 0.67 H new ATOM 0 HA SER A 153 1.281 -6.666 -6.290 1.00 0.73 H new ATOM 0 HB2 SER A 153 1.883 -5.180 -8.255 1.00 0.91 H new ATOM 0 HB3 SER A 153 2.426 -6.841 -8.392 1.00 0.91 H new ATOM 0 HG SER A 153 1.415 -6.083 -10.340 1.00 1.46 H new ATOM 525 N LEU A 154 -0.119 -4.609 -6.019 1.00 0.71 N ATOM 526 CA LEU A 154 -1.106 -3.630 -5.590 1.00 0.76 C ATOM 527 C LEU A 154 -0.674 -2.211 -5.941 1.00 0.92 C ATOM 528 O LEU A 154 0.454 -1.986 -6.378 1.00 1.13 O ATOM 529 CB LEU A 154 -1.326 -3.758 -4.084 1.00 0.70 C ATOM 530 CG LEU A 154 -1.833 -5.126 -3.636 1.00 0.70 C ATOM 531 CD1 LEU A 154 -1.764 -5.257 -2.126 1.00 0.85 C ATOM 532 CD2 LEU A 154 -3.254 -5.349 -4.131 1.00 0.86 C ATOM 0 H LEU A 154 0.790 -4.520 -5.565 1.00 0.71 H new ATOM 0 HA LEU A 154 -2.040 -3.829 -6.116 1.00 0.76 H new ATOM 0 HB2 LEU A 154 -0.387 -3.546 -3.572 1.00 0.70 H new ATOM 0 HB3 LEU A 154 -2.040 -2.998 -3.767 1.00 0.70 H new ATOM 0 HG LEU A 154 -1.191 -5.892 -4.070 1.00 0.70 H new ATOM 0 HD11 LEU A 154 -2.130 -6.240 -1.829 1.00 0.85 H new ATOM 0 HD12 LEU A 154 -0.731 -5.140 -1.797 1.00 0.85 H new ATOM 0 HD13 LEU A 154 -2.381 -4.485 -1.665 1.00 0.85 H new ATOM 0 HD21 LEU A 154 -3.604 -6.328 -3.805 1.00 0.86 H new ATOM 0 HD22 LEU A 154 -3.907 -4.577 -3.724 1.00 0.86 H new ATOM 0 HD23 LEU A 154 -3.272 -5.302 -5.220 1.00 0.86 H new ATOM 544 N GLU A 155 -1.582 -1.259 -5.750 1.00 1.24 N ATOM 545 CA GLU A 155 -1.316 0.137 -6.072 1.00 1.53 C ATOM 546 C GLU A 155 -0.997 0.945 -4.813 1.00 1.73 C ATOM 547 O GLU A 155 0.155 1.016 -4.389 1.00 2.45 O ATOM 548 CB GLU A 155 -2.513 0.764 -6.802 1.00 1.96 C ATOM 549 CG GLU A 155 -2.589 0.447 -8.296 1.00 2.39 C ATOM 550 CD GLU A 155 -2.645 -1.037 -8.603 1.00 3.01 C ATOM 551 OE1 GLU A 155 -3.523 -1.735 -8.051 1.00 3.46 O ATOM 552 OE2 GLU A 155 -1.821 -1.505 -9.418 1.00 3.54 O ATOM 0 H GLU A 155 -2.513 -1.431 -5.372 1.00 1.24 H new ATOM 0 HA GLU A 155 -0.446 0.162 -6.729 1.00 1.53 H new ATOM 0 HB2 GLU A 155 -3.432 0.422 -6.325 1.00 1.96 H new ATOM 0 HB3 GLU A 155 -2.472 1.846 -6.676 1.00 1.96 H new ATOM 0 HG2 GLU A 155 -3.472 0.929 -8.716 1.00 2.39 H new ATOM 0 HG3 GLU A 155 -1.722 0.880 -8.795 1.00 2.39 H new ATOM 559 N SER A 156 -2.027 1.536 -4.211 1.00 1.83 N ATOM 560 CA SER A 156 -1.846 2.383 -3.035 1.00 2.22 C ATOM 561 C SER A 156 -3.076 2.323 -2.123 1.00 1.96 C ATOM 562 O SER A 156 -2.953 2.252 -0.899 1.00 2.65 O ATOM 563 CB SER A 156 -1.592 3.836 -3.455 1.00 3.04 C ATOM 564 OG SER A 156 -0.470 3.945 -4.319 1.00 3.58 O ATOM 0 H SER A 156 -2.995 1.444 -4.518 1.00 1.83 H new ATOM 0 HA SER A 156 -0.982 2.010 -2.485 1.00 2.22 H new ATOM 0 HB2 SER A 156 -2.476 4.230 -3.956 1.00 3.04 H new ATOM 0 HB3 SER A 156 -1.429 4.448 -2.568 1.00 3.04 H new ATOM 0 HG SER A 156 -0.339 4.884 -4.568 1.00 3.58 H new ATOM 570 N THR A 157 -4.259 2.364 -2.721 1.00 1.62 N ATOM 571 CA THR A 157 -5.503 2.333 -1.958 1.00 1.69 C ATOM 572 C THR A 157 -5.901 0.900 -1.614 1.00 1.51 C ATOM 573 O THR A 157 -6.437 0.628 -0.544 1.00 2.11 O ATOM 574 CB THR A 157 -6.650 2.990 -2.749 1.00 2.15 C ATOM 575 OG1 THR A 157 -6.216 4.248 -3.282 1.00 2.66 O ATOM 576 CG2 THR A 157 -7.868 3.206 -1.864 1.00 2.67 C ATOM 0 H THR A 157 -4.385 2.419 -3.732 1.00 1.62 H new ATOM 0 HA THR A 157 -5.329 2.890 -1.038 1.00 1.69 H new ATOM 0 HB THR A 157 -6.928 2.322 -3.564 1.00 2.15 H new ATOM 0 HG1 THR A 157 -6.949 4.660 -3.785 1.00 2.66 H new ATOM 0 HG21 THR A 157 -8.663 3.671 -2.447 1.00 2.67 H new ATOM 0 HG22 THR A 157 -8.213 2.246 -1.480 1.00 2.67 H new ATOM 0 HG23 THR A 157 -7.601 3.856 -1.030 1.00 2.67 H new ATOM 584 N ASN A 158 -5.590 -0.016 -2.516 1.00 1.17 N ATOM 585 CA ASN A 158 -6.062 -1.394 -2.428 1.00 1.14 C ATOM 586 C ASN A 158 -5.095 -2.285 -1.652 1.00 0.94 C ATOM 587 O ASN A 158 -5.102 -3.506 -1.807 1.00 1.16 O ATOM 588 CB ASN A 158 -6.287 -1.954 -3.838 1.00 1.38 C ATOM 589 CG ASN A 158 -5.054 -1.864 -4.732 1.00 1.61 C ATOM 590 OD1 ASN A 158 -4.182 -1.013 -4.538 1.00 2.30 O ATOM 591 ND2 ASN A 158 -4.989 -2.718 -5.739 1.00 2.09 N ATOM 0 H ASN A 158 -5.004 0.171 -3.330 1.00 1.17 H new ATOM 0 HA ASN A 158 -7.004 -1.389 -1.880 1.00 1.14 H new ATOM 0 HB2 ASN A 158 -6.595 -2.997 -3.761 1.00 1.38 H new ATOM 0 HB3 ASN A 158 -7.108 -1.413 -4.309 1.00 1.38 H new ATOM 0 HD21 ASN A 158 -4.200 -2.686 -6.385 1.00 2.09 H new ATOM 0 HD22 ASN A 158 -5.728 -3.409 -5.870 1.00 2.09 H new ATOM 598 N VAL A 159 -4.295 -1.678 -0.790 1.00 0.79 N ATOM 599 CA VAL A 159 -3.291 -2.416 -0.043 1.00 0.72 C ATOM 600 C VAL A 159 -3.397 -2.160 1.452 1.00 0.69 C ATOM 601 O VAL A 159 -3.645 -1.037 1.893 1.00 0.83 O ATOM 602 CB VAL A 159 -1.866 -2.059 -0.518 1.00 0.94 C ATOM 603 CG1 VAL A 159 -1.634 -0.557 -0.444 1.00 1.27 C ATOM 604 CG2 VAL A 159 -0.811 -2.808 0.287 1.00 1.59 C ATOM 0 H VAL A 159 -4.322 -0.678 -0.591 1.00 0.79 H new ATOM 0 HA VAL A 159 -3.480 -3.473 -0.231 1.00 0.72 H new ATOM 0 HB VAL A 159 -1.774 -2.370 -1.559 1.00 0.94 H new ATOM 0 HG11 VAL A 159 -0.624 -0.328 -0.783 1.00 1.27 H new ATOM 0 HG12 VAL A 159 -2.356 -0.046 -1.081 1.00 1.27 H new ATOM 0 HG13 VAL A 159 -1.756 -0.220 0.585 1.00 1.27 H new ATOM 0 HG21 VAL A 159 0.182 -2.535 -0.071 1.00 1.59 H new ATOM 0 HG22 VAL A 159 -0.902 -2.544 1.341 1.00 1.59 H new ATOM 0 HG23 VAL A 159 -0.957 -3.882 0.168 1.00 1.59 H new ATOM 614 N THR A 160 -3.229 -3.216 2.221 1.00 0.62 N ATOM 615 CA THR A 160 -3.097 -3.108 3.654 1.00 0.67 C ATOM 616 C THR A 160 -1.986 -4.044 4.121 1.00 0.70 C ATOM 617 O THR A 160 -2.118 -5.264 4.041 1.00 0.81 O ATOM 618 CB THR A 160 -4.416 -3.460 4.374 1.00 0.71 C ATOM 619 OG1 THR A 160 -5.479 -2.642 3.866 1.00 1.16 O ATOM 620 CG2 THR A 160 -4.289 -3.251 5.878 1.00 1.08 C ATOM 0 H THR A 160 -3.181 -4.172 1.868 1.00 0.62 H new ATOM 0 HA THR A 160 -2.851 -2.076 3.902 1.00 0.67 H new ATOM 0 HB THR A 160 -4.637 -4.511 4.187 1.00 0.71 H new ATOM 0 HG1 THR A 160 -5.440 -1.757 4.286 1.00 1.16 H new ATOM 0 HG21 THR A 160 -5.232 -3.506 6.362 1.00 1.08 H new ATOM 0 HG22 THR A 160 -3.497 -3.889 6.268 1.00 1.08 H new ATOM 0 HG23 THR A 160 -4.048 -2.208 6.081 1.00 1.08 H new ATOM 628 N ASP A 161 -0.881 -3.478 4.574 1.00 0.82 N ATOM 629 CA ASP A 161 0.262 -4.287 4.959 1.00 0.93 C ATOM 630 C ASP A 161 0.215 -4.614 6.441 1.00 0.96 C ATOM 631 O ASP A 161 -0.360 -3.870 7.239 1.00 1.06 O ATOM 632 CB ASP A 161 1.579 -3.583 4.622 1.00 1.18 C ATOM 633 CG ASP A 161 1.992 -2.564 5.664 1.00 1.61 C ATOM 634 OD1 ASP A 161 1.426 -1.454 5.671 1.00 2.13 O ATOM 635 OD2 ASP A 161 2.896 -2.871 6.472 1.00 2.27 O ATOM 0 H ASP A 161 -0.751 -2.472 4.684 1.00 0.82 H new ATOM 0 HA ASP A 161 0.213 -5.216 4.390 1.00 0.93 H new ATOM 0 HB2 ASP A 161 2.367 -4.329 4.520 1.00 1.18 H new ATOM 0 HB3 ASP A 161 1.482 -3.087 3.656 1.00 1.18 H new ATOM 640 N LYS A 162 0.812 -5.737 6.797 1.00 0.98 N ATOM 641 CA LYS A 162 0.902 -6.146 8.180 1.00 1.10 C ATOM 642 C LYS A 162 2.361 -6.379 8.546 1.00 1.22 C ATOM 643 O LYS A 162 2.965 -7.366 8.119 1.00 1.27 O ATOM 644 CB LYS A 162 0.089 -7.419 8.428 1.00 1.17 C ATOM 645 CG LYS A 162 -0.124 -7.711 9.903 1.00 1.55 C ATOM 646 CD LYS A 162 -1.085 -6.708 10.524 1.00 1.86 C ATOM 647 CE LYS A 162 -1.062 -6.766 12.043 1.00 2.36 C ATOM 648 NZ LYS A 162 0.212 -6.231 12.598 1.00 2.95 N ATOM 0 H LYS A 162 1.244 -6.385 6.138 1.00 0.98 H new ATOM 0 HA LYS A 162 0.490 -5.354 8.806 1.00 1.10 H new ATOM 0 HB2 LYS A 162 -0.880 -7.325 7.938 1.00 1.17 H new ATOM 0 HB3 LYS A 162 0.599 -8.264 7.966 1.00 1.17 H new ATOM 0 HG2 LYS A 162 -0.517 -8.720 10.024 1.00 1.55 H new ATOM 0 HG3 LYS A 162 0.832 -7.676 10.426 1.00 1.55 H new ATOM 0 HD2 LYS A 162 -0.823 -5.702 10.195 1.00 1.86 H new ATOM 0 HD3 LYS A 162 -2.096 -6.906 10.168 1.00 1.86 H new ATOM 0 HE2 LYS A 162 -1.900 -6.194 12.441 1.00 2.36 H new ATOM 0 HE3 LYS A 162 -1.196 -7.797 12.369 1.00 2.36 H new ATOM 0 HZ1 LYS A 162 0.069 -5.954 13.590 1.00 2.95 H new ATOM 0 HZ2 LYS A 162 0.948 -6.964 12.545 1.00 2.95 H new ATOM 0 HZ3 LYS A 162 0.510 -5.401 12.046 1.00 2.95 H new ATOM 662 N ASP A 163 2.922 -5.444 9.303 1.00 1.37 N ATOM 663 CA ASP A 163 4.294 -5.548 9.799 1.00 1.58 C ATOM 664 C ASP A 163 5.311 -5.613 8.663 1.00 1.48 C ATOM 665 O ASP A 163 6.324 -6.309 8.763 1.00 1.94 O ATOM 666 CB ASP A 163 4.455 -6.766 10.718 1.00 1.83 C ATOM 667 CG ASP A 163 3.692 -6.622 12.020 1.00 2.42 C ATOM 668 OD1 ASP A 163 4.142 -5.844 12.887 1.00 2.80 O ATOM 669 OD2 ASP A 163 2.639 -7.280 12.182 1.00 2.97 O ATOM 0 H ASP A 163 2.441 -4.592 9.592 1.00 1.37 H new ATOM 0 HA ASP A 163 4.491 -4.642 10.372 1.00 1.58 H new ATOM 0 HB2 ASP A 163 4.109 -7.658 10.196 1.00 1.83 H new ATOM 0 HB3 ASP A 163 5.513 -6.914 10.936 1.00 1.83 H new ATOM 674 N GLY A 164 5.041 -4.891 7.583 1.00 1.41 N ATOM 675 CA GLY A 164 6.002 -4.800 6.502 1.00 1.46 C ATOM 676 C GLY A 164 5.704 -5.732 5.346 1.00 1.29 C ATOM 677 O GLY A 164 6.421 -5.724 4.345 1.00 1.45 O ATOM 0 H GLY A 164 4.177 -4.369 7.437 1.00 1.41 H new ATOM 0 HA2 GLY A 164 6.026 -3.774 6.134 1.00 1.46 H new ATOM 0 HA3 GLY A 164 6.996 -5.023 6.891 1.00 1.46 H new ATOM 681 N GLU A 165 4.670 -6.545 5.474 1.00 1.10 N ATOM 682 CA GLU A 165 4.269 -7.423 4.385 1.00 1.01 C ATOM 683 C GLU A 165 2.938 -6.991 3.813 1.00 0.86 C ATOM 684 O GLU A 165 1.976 -6.780 4.545 1.00 0.92 O ATOM 685 CB GLU A 165 4.218 -8.876 4.834 1.00 1.13 C ATOM 686 CG GLU A 165 5.599 -9.444 5.055 1.00 1.48 C ATOM 687 CD GLU A 165 5.607 -10.946 5.227 1.00 1.70 C ATOM 688 OE1 GLU A 165 4.957 -11.437 6.173 1.00 2.21 O ATOM 689 OE2 GLU A 165 6.230 -11.643 4.406 1.00 2.17 O ATOM 0 H GLU A 165 4.096 -6.617 6.314 1.00 1.10 H new ATOM 0 HA GLU A 165 5.022 -7.345 3.601 1.00 1.01 H new ATOM 0 HB2 GLU A 165 3.642 -8.951 5.757 1.00 1.13 H new ATOM 0 HB3 GLU A 165 3.697 -9.470 4.084 1.00 1.13 H new ATOM 0 HG2 GLU A 165 6.233 -9.179 4.209 1.00 1.48 H new ATOM 0 HG3 GLU A 165 6.037 -8.982 5.939 1.00 1.48 H new ATOM 696 N LEU A 166 2.895 -6.875 2.500 1.00 0.77 N ATOM 697 CA LEU A 166 1.749 -6.282 1.826 1.00 0.65 C ATOM 698 C LEU A 166 0.658 -7.318 1.617 1.00 0.55 C ATOM 699 O LEU A 166 0.937 -8.450 1.224 1.00 0.63 O ATOM 700 CB LEU A 166 2.143 -5.675 0.465 1.00 0.71 C ATOM 701 CG LEU A 166 3.329 -4.697 0.466 1.00 0.86 C ATOM 702 CD1 LEU A 166 3.275 -3.758 1.662 1.00 1.25 C ATOM 703 CD2 LEU A 166 4.647 -5.449 0.419 1.00 1.21 C ATOM 0 H LEU A 166 3.640 -7.183 1.875 1.00 0.77 H new ATOM 0 HA LEU A 166 1.376 -5.483 2.467 1.00 0.65 H new ATOM 0 HB2 LEU A 166 2.375 -6.492 -0.218 1.00 0.71 H new ATOM 0 HB3 LEU A 166 1.274 -5.157 0.059 1.00 0.71 H new ATOM 0 HG LEU A 166 3.256 -4.084 -0.433 1.00 0.86 H new ATOM 0 HD11 LEU A 166 4.128 -3.080 1.631 1.00 1.25 H new ATOM 0 HD12 LEU A 166 2.351 -3.180 1.630 1.00 1.25 H new ATOM 0 HD13 LEU A 166 3.307 -4.340 2.583 1.00 1.25 H new ATOM 0 HD21 LEU A 166 5.472 -4.737 0.420 1.00 1.21 H new ATOM 0 HD22 LEU A 166 4.727 -6.099 1.291 1.00 1.21 H new ATOM 0 HD23 LEU A 166 4.690 -6.052 -0.488 1.00 1.21 H new ATOM 715 N TYR A 167 -0.575 -6.932 1.901 1.00 0.46 N ATOM 716 CA TYR A 167 -1.724 -7.782 1.638 1.00 0.38 C ATOM 717 C TYR A 167 -2.826 -6.965 0.984 1.00 0.33 C ATOM 718 O TYR A 167 -3.109 -5.847 1.413 1.00 0.45 O ATOM 719 CB TYR A 167 -2.242 -8.411 2.934 1.00 0.46 C ATOM 720 CG TYR A 167 -1.253 -9.334 3.610 1.00 0.62 C ATOM 721 CD1 TYR A 167 -0.972 -10.585 3.076 1.00 0.74 C ATOM 722 CD2 TYR A 167 -0.607 -8.959 4.780 1.00 0.79 C ATOM 723 CE1 TYR A 167 -0.076 -11.438 3.690 1.00 0.94 C ATOM 724 CE2 TYR A 167 0.294 -9.807 5.399 1.00 0.97 C ATOM 725 CZ TYR A 167 0.555 -11.045 4.851 1.00 1.03 C ATOM 726 OH TYR A 167 1.445 -11.896 5.468 1.00 1.23 O ATOM 0 H TYR A 167 -0.806 -6.030 2.316 1.00 0.46 H new ATOM 0 HA TYR A 167 -1.417 -8.583 0.966 1.00 0.38 H new ATOM 0 HB2 TYR A 167 -2.514 -7.616 3.628 1.00 0.46 H new ATOM 0 HB3 TYR A 167 -3.153 -8.969 2.716 1.00 0.46 H new ATOM 0 HD1 TYR A 167 -1.462 -10.896 2.165 1.00 0.74 H new ATOM 0 HD2 TYR A 167 -0.811 -7.991 5.213 1.00 0.79 H new ATOM 0 HE1 TYR A 167 0.129 -12.408 3.263 1.00 0.94 H new ATOM 0 HE2 TYR A 167 0.791 -9.501 6.308 1.00 0.97 H new ATOM 0 HH TYR A 167 1.803 -11.467 6.273 1.00 1.23 H new ATOM 736 N CYS A 168 -3.417 -7.502 -0.078 1.00 0.30 N ATOM 737 CA CYS A 168 -4.561 -6.865 -0.716 1.00 0.38 C ATOM 738 C CYS A 168 -5.680 -6.705 0.300 1.00 0.45 C ATOM 739 O CYS A 168 -5.897 -7.585 1.129 1.00 0.47 O ATOM 740 CB CYS A 168 -5.059 -7.719 -1.882 1.00 0.46 C ATOM 741 SG CYS A 168 -3.732 -8.418 -2.908 1.00 0.52 S ATOM 0 H CYS A 168 -3.122 -8.376 -0.514 1.00 0.30 H new ATOM 0 HA CYS A 168 -4.258 -5.888 -1.093 1.00 0.38 H new ATOM 0 HB2 CYS A 168 -5.667 -8.534 -1.488 1.00 0.46 H new ATOM 0 HB3 CYS A 168 -5.709 -7.112 -2.512 1.00 0.46 H new ATOM 746 N LYS A 169 -6.392 -5.586 0.235 1.00 0.60 N ATOM 747 CA LYS A 169 -7.517 -5.353 1.135 1.00 0.72 C ATOM 748 C LYS A 169 -8.567 -6.448 0.974 1.00 0.69 C ATOM 749 O LYS A 169 -9.338 -6.722 1.895 1.00 0.75 O ATOM 750 CB LYS A 169 -8.144 -3.981 0.891 1.00 0.94 C ATOM 751 CG LYS A 169 -7.186 -2.829 1.137 1.00 1.57 C ATOM 752 CD LYS A 169 -7.900 -1.487 1.109 1.00 1.97 C ATOM 753 CE LYS A 169 -8.756 -1.276 2.348 1.00 2.66 C ATOM 754 NZ LYS A 169 -7.936 -1.186 3.589 1.00 3.12 N ATOM 0 H LYS A 169 -6.213 -4.830 -0.426 1.00 0.60 H new ATOM 0 HA LYS A 169 -7.137 -5.377 2.156 1.00 0.72 H new ATOM 0 HB2 LYS A 169 -8.504 -3.932 -0.137 1.00 0.94 H new ATOM 0 HB3 LYS A 169 -9.013 -3.866 1.539 1.00 0.94 H new ATOM 0 HG2 LYS A 169 -6.698 -2.961 2.103 1.00 1.57 H new ATOM 0 HG3 LYS A 169 -6.402 -2.840 0.380 1.00 1.57 H new ATOM 0 HD2 LYS A 169 -7.165 -0.686 1.035 1.00 1.97 H new ATOM 0 HD3 LYS A 169 -8.527 -1.428 0.220 1.00 1.97 H new ATOM 0 HE2 LYS A 169 -9.340 -0.363 2.233 1.00 2.66 H new ATOM 0 HE3 LYS A 169 -9.465 -2.098 2.442 1.00 2.66 H new ATOM 0 HZ1 LYS A 169 -8.503 -1.496 4.403 1.00 3.12 H new ATOM 0 HZ2 LYS A 169 -7.099 -1.797 3.497 1.00 3.12 H new ATOM 0 HZ3 LYS A 169 -7.632 -0.202 3.734 1.00 3.12 H new ATOM 768 N VAL A 170 -8.593 -7.064 -0.205 1.00 0.70 N ATOM 769 CA VAL A 170 -9.488 -8.180 -0.465 1.00 0.77 C ATOM 770 C VAL A 170 -8.977 -9.443 0.228 1.00 0.69 C ATOM 771 O VAL A 170 -9.728 -10.123 0.921 1.00 0.78 O ATOM 772 CB VAL A 170 -9.622 -8.446 -1.979 1.00 0.88 C ATOM 773 CG1 VAL A 170 -10.578 -9.603 -2.243 1.00 1.02 C ATOM 774 CG2 VAL A 170 -10.081 -7.189 -2.706 1.00 1.02 C ATOM 0 H VAL A 170 -8.002 -6.806 -0.995 1.00 0.70 H new ATOM 0 HA VAL A 170 -10.469 -7.917 -0.068 1.00 0.77 H new ATOM 0 HB VAL A 170 -8.641 -8.724 -2.364 1.00 0.88 H new ATOM 0 HG11 VAL A 170 -10.657 -9.772 -3.317 1.00 1.02 H new ATOM 0 HG12 VAL A 170 -10.200 -10.504 -1.760 1.00 1.02 H new ATOM 0 HG13 VAL A 170 -11.562 -9.361 -1.841 1.00 1.02 H new ATOM 0 HG21 VAL A 170 -10.169 -7.397 -3.772 1.00 1.02 H new ATOM 0 HG22 VAL A 170 -11.050 -6.876 -2.316 1.00 1.02 H new ATOM 0 HG23 VAL A 170 -9.353 -6.393 -2.551 1.00 1.02 H new ATOM 784 N CYS A 171 -7.688 -9.732 0.066 1.00 0.58 N ATOM 785 CA CYS A 171 -7.081 -10.908 0.681 1.00 0.59 C ATOM 786 C CYS A 171 -7.033 -10.762 2.199 1.00 0.57 C ATOM 787 O CYS A 171 -7.104 -11.750 2.936 1.00 0.66 O ATOM 788 CB CYS A 171 -5.678 -11.131 0.116 1.00 0.58 C ATOM 789 SG CYS A 171 -5.654 -11.410 -1.684 1.00 0.80 S ATOM 0 H CYS A 171 -7.044 -9.167 -0.487 1.00 0.58 H new ATOM 0 HA CYS A 171 -7.695 -11.778 0.446 1.00 0.59 H new ATOM 0 HB2 CYS A 171 -5.059 -10.265 0.349 1.00 0.58 H new ATOM 0 HB3 CYS A 171 -5.226 -11.989 0.614 1.00 0.58 H new ATOM 794 N TYR A 172 -6.922 -9.524 2.660 1.00 0.51 N ATOM 795 CA TYR A 172 -6.926 -9.232 4.085 1.00 0.59 C ATOM 796 C TYR A 172 -8.322 -9.466 4.661 1.00 0.67 C ATOM 797 O TYR A 172 -8.469 -9.870 5.809 1.00 0.76 O ATOM 798 CB TYR A 172 -6.485 -7.789 4.331 1.00 0.65 C ATOM 799 CG TYR A 172 -6.076 -7.515 5.760 1.00 0.89 C ATOM 800 CD1 TYR A 172 -4.785 -7.777 6.198 1.00 1.29 C ATOM 801 CD2 TYR A 172 -6.988 -6.997 6.670 1.00 1.24 C ATOM 802 CE1 TYR A 172 -4.412 -7.527 7.504 1.00 1.57 C ATOM 803 CE2 TYR A 172 -6.624 -6.744 7.976 1.00 1.45 C ATOM 804 CZ TYR A 172 -5.308 -7.017 8.382 1.00 1.48 C ATOM 805 OH TYR A 172 -4.969 -6.760 9.690 1.00 1.78 O ATOM 0 H TYR A 172 -6.828 -8.702 2.063 1.00 0.51 H new ATOM 0 HA TYR A 172 -6.223 -9.899 4.584 1.00 0.59 H new ATOM 0 HB2 TYR A 172 -5.649 -7.556 3.672 1.00 0.65 H new ATOM 0 HB3 TYR A 172 -7.300 -7.118 4.060 1.00 0.65 H new ATOM 0 HD1 TYR A 172 -4.061 -8.183 5.507 1.00 1.29 H new ATOM 0 HD2 TYR A 172 -7.998 -6.789 6.350 1.00 1.24 H new ATOM 0 HE1 TYR A 172 -3.403 -7.739 7.826 1.00 1.57 H new ATOM 0 HE2 TYR A 172 -7.341 -6.342 8.676 1.00 1.45 H new ATOM 0 HH TYR A 172 -5.746 -6.396 10.164 1.00 1.78 H new ATOM 815 N ALA A 173 -9.343 -9.220 3.848 1.00 0.72 N ATOM 816 CA ALA A 173 -10.722 -9.469 4.248 1.00 0.87 C ATOM 817 C ALA A 173 -11.015 -10.966 4.256 1.00 0.91 C ATOM 818 O ALA A 173 -11.933 -11.429 4.930 1.00 1.05 O ATOM 819 CB ALA A 173 -11.684 -8.739 3.325 1.00 1.05 C ATOM 0 H ALA A 173 -9.240 -8.847 2.904 1.00 0.72 H new ATOM 0 HA ALA A 173 -10.862 -9.088 5.260 1.00 0.87 H new ATOM 0 HB1 ALA A 173 -12.709 -8.936 3.638 1.00 1.05 H new ATOM 0 HB2 ALA A 173 -11.490 -7.667 3.371 1.00 1.05 H new ATOM 0 HB3 ALA A 173 -11.544 -9.089 2.302 1.00 1.05 H new ATOM 825 N LYS A 174 -10.244 -11.712 3.477 1.00 0.89 N ATOM 826 CA LYS A 174 -10.402 -13.159 3.403 1.00 1.06 C ATOM 827 C LYS A 174 -9.631 -13.856 4.521 1.00 1.08 C ATOM 828 O LYS A 174 -10.208 -14.562 5.344 1.00 1.27 O ATOM 829 CB LYS A 174 -9.886 -13.680 2.055 1.00 1.17 C ATOM 830 CG LYS A 174 -10.533 -13.044 0.834 1.00 1.67 C ATOM 831 CD LYS A 174 -11.803 -13.763 0.406 1.00 2.21 C ATOM 832 CE LYS A 174 -12.947 -13.555 1.383 1.00 2.63 C ATOM 833 NZ LYS A 174 -14.177 -14.260 0.939 1.00 3.36 N ATOM 0 H LYS A 174 -9.501 -11.339 2.886 1.00 0.89 H new ATOM 0 HA LYS A 174 -11.464 -13.379 3.510 1.00 1.06 H new ATOM 0 HB2 LYS A 174 -8.810 -13.515 2.006 1.00 1.17 H new ATOM 0 HB3 LYS A 174 -10.045 -14.757 2.013 1.00 1.17 H new ATOM 0 HG2 LYS A 174 -10.765 -12.002 1.052 1.00 1.67 H new ATOM 0 HG3 LYS A 174 -9.822 -13.046 0.008 1.00 1.67 H new ATOM 0 HD2 LYS A 174 -12.103 -13.408 -0.580 1.00 2.21 H new ATOM 0 HD3 LYS A 174 -11.599 -14.830 0.312 1.00 2.21 H new ATOM 0 HE2 LYS A 174 -12.655 -13.916 2.369 1.00 2.63 H new ATOM 0 HE3 LYS A 174 -13.153 -12.489 1.482 1.00 2.63 H new ATOM 0 HZ1 LYS A 174 -14.938 -14.097 1.628 1.00 3.36 H new ATOM 0 HZ2 LYS A 174 -14.469 -13.897 0.009 1.00 3.36 H new ATOM 0 HZ3 LYS A 174 -13.986 -15.280 0.868 1.00 3.36 H new ATOM 847 N ASN A 175 -8.318 -13.662 4.525 1.00 1.04 N ATOM 848 CA ASN A 175 -7.425 -14.390 5.425 1.00 1.24 C ATOM 849 C ASN A 175 -7.067 -13.608 6.683 1.00 1.33 C ATOM 850 O ASN A 175 -6.771 -14.198 7.721 1.00 1.56 O ATOM 851 CB ASN A 175 -6.147 -14.750 4.691 1.00 1.47 C ATOM 852 CG ASN A 175 -6.349 -15.822 3.640 1.00 1.90 C ATOM 853 OD1 ASN A 175 -6.258 -17.013 3.927 1.00 2.65 O ATOM 854 ND2 ASN A 175 -6.609 -15.407 2.408 1.00 2.25 N ATOM 0 H ASN A 175 -7.843 -13.001 3.910 1.00 1.04 H new ATOM 0 HA ASN A 175 -7.964 -15.283 5.741 1.00 1.24 H new ATOM 0 HB2 ASN A 175 -5.743 -13.856 4.217 1.00 1.47 H new ATOM 0 HB3 ASN A 175 -5.404 -15.092 5.412 1.00 1.47 H new ATOM 0 HD21 ASN A 175 -6.741 -16.086 1.658 1.00 2.25 H new ATOM 0 HD22 ASN A 175 -6.677 -14.409 2.210 1.00 2.25 H new ATOM 861 N PHE A 176 -7.069 -12.274 6.567 1.00 1.30 N ATOM 862 CA PHE A 176 -6.690 -11.370 7.667 1.00 1.58 C ATOM 863 C PHE A 176 -5.215 -11.523 8.009 1.00 2.55 C ATOM 864 O PHE A 176 -4.763 -11.102 9.074 1.00 3.04 O ATOM 865 CB PHE A 176 -7.549 -11.614 8.919 1.00 1.55 C ATOM 866 CG PHE A 176 -9.023 -11.527 8.658 1.00 2.24 C ATOM 867 CD1 PHE A 176 -9.694 -12.534 7.987 1.00 2.85 C ATOM 868 CD2 PHE A 176 -9.736 -10.433 9.101 1.00 2.73 C ATOM 869 CE1 PHE A 176 -11.056 -12.442 7.767 1.00 3.93 C ATOM 870 CE2 PHE A 176 -11.083 -10.333 8.892 1.00 3.72 C ATOM 871 CZ PHE A 176 -11.739 -11.390 8.130 1.00 4.32 C ATOM 0 H PHE A 176 -7.333 -11.789 5.710 1.00 1.30 H new ATOM 0 HA PHE A 176 -6.869 -10.350 7.326 1.00 1.58 H new ATOM 0 HB2 PHE A 176 -7.317 -12.599 9.323 1.00 1.55 H new ATOM 0 HB3 PHE A 176 -7.279 -10.885 9.683 1.00 1.55 H new ATOM 0 HD1 PHE A 176 -9.150 -13.397 7.633 1.00 2.85 H new ATOM 0 HD2 PHE A 176 -9.220 -9.640 9.623 1.00 2.73 H new ATOM 0 HE1 PHE A 176 -11.568 -13.261 7.283 1.00 3.93 H new ATOM 0 HE2 PHE A 176 -11.645 -9.496 9.280 1.00 3.72 H new ATOM 0 HZ PHE A 176 -12.783 -11.303 7.868 1.00 4.32 H new TER 881 PHE A 176 HETATM 882 ZN ZN A 190 -3.646 -10.683 -2.557 1.00 0.51 ZN HETATM 883 ZN ZN A 191 10.998 -3.387 -3.316 1.00 0.75 ZN