USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=23 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 Set 1.1: A 147 CYS SG : rot 172:sc= 1.88 USER MOD Set 1.2: A 150 CYS SG : rot 69:sc= 0.422 USER MOD Set 1.3: A 168 CYS SG : rot 120:sc= -3.64! USER MOD Set 1.4: A 171 CYS SG : rot -106:sc= 0.732 USER MOD Set 2.1: A 120 CYS SG : rot -147:sc= -0.294! USER MOD Set 2.2: A 123 CYS SG : rot 130:sc= 0.449 USER MOD Set 2.3: A 141 HIS : no HE2:sc= -1.68 X(o=-4.6,f=-4.4) USER MOD Set 2.4: A 144 CYS SG : rot 175:sc= -3.03! 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 -172:sc= -0.768 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 163:sc= -0.126 (180deg=-0.564) USER MOD Single : A 138 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.014) USER MOD Single : A 142 LYS NZ :NH3+ -142:sc= -2.96! (180deg=-4.47!) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 LYS NZ :NH3+ 170:sc= 1.18 (180deg=0.829) USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 158 ASN : amide:sc= -0.522 K(o=-0.52,f=-1.3) USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 162 LYS NZ :NH3+ -169:sc= -0.0107 (180deg=-0.144) USER MOD Single : A 167 TYR OH : rot 180:sc= 0 USER MOD Single : A 169 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.093) 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 119 13.257 3.342 1.476 1.00 0.89 N ATOM 2 CA LYS A 119 13.807 2.128 0.902 1.00 0.80 C ATOM 3 C LYS A 119 12.825 0.979 1.065 1.00 0.78 C ATOM 4 O LYS A 119 12.213 0.819 2.121 1.00 0.90 O ATOM 5 CB LYS A 119 15.133 1.774 1.578 1.00 0.93 C ATOM 6 CG LYS A 119 16.232 2.797 1.344 1.00 1.51 C ATOM 7 CD LYS A 119 17.506 2.427 2.084 1.00 1.54 C ATOM 8 CE LYS A 119 18.631 3.401 1.774 1.00 2.16 C ATOM 9 NZ LYS A 119 19.879 3.062 2.510 1.00 2.76 N ATOM 0 HA LYS A 119 13.985 2.297 -0.160 1.00 0.80 H new ATOM 0 HB2 LYS A 119 14.967 1.671 2.650 1.00 0.93 H new ATOM 0 HB3 LYS A 119 15.469 0.804 1.213 1.00 0.93 H new ATOM 0 HG2 LYS A 119 16.439 2.872 0.276 1.00 1.51 H new ATOM 0 HG3 LYS A 119 15.892 3.779 1.672 1.00 1.51 H new ATOM 0 HD2 LYS A 119 17.316 2.419 3.157 1.00 1.54 H new ATOM 0 HD3 LYS A 119 17.810 1.418 1.806 1.00 1.54 H new ATOM 0 HE2 LYS A 119 18.829 3.397 0.702 1.00 2.16 H new ATOM 0 HE3 LYS A 119 18.318 4.412 2.036 1.00 2.16 H new ATOM 0 HZ1 LYS A 119 20.621 3.750 2.271 1.00 2.76 H new ATOM 0 HZ2 LYS A 119 19.697 3.091 3.534 1.00 2.76 H new ATOM 0 HZ3 LYS A 119 20.192 2.108 2.241 1.00 2.76 H new ATOM 23 N CYS A 120 12.676 0.195 0.009 1.00 0.70 N ATOM 24 CA CYS A 120 11.820 -0.976 0.029 1.00 0.72 C ATOM 25 C CYS A 120 12.464 -2.084 0.846 1.00 0.76 C ATOM 26 O CYS A 120 13.538 -2.585 0.491 1.00 0.80 O ATOM 27 CB CYS A 120 11.571 -1.456 -1.399 1.00 0.67 C ATOM 28 SG CYS A 120 10.719 -3.064 -1.544 1.00 0.74 S ATOM 0 H CYS A 120 13.145 0.354 -0.883 1.00 0.70 H new ATOM 0 HA CYS A 120 10.868 -0.712 0.489 1.00 0.72 H new ATOM 0 HB2 CYS A 120 10.981 -0.702 -1.920 1.00 0.67 H new ATOM 0 HB3 CYS A 120 12.529 -1.523 -1.914 1.00 0.67 H new ATOM 0 HG CYS A 120 11.153 -3.692 -2.596 1.00 0.74 H new ATOM 33 N PRO A 121 11.804 -2.489 1.941 1.00 0.79 N ATOM 34 CA PRO A 121 12.282 -3.565 2.808 1.00 0.87 C ATOM 35 C PRO A 121 12.051 -4.939 2.185 1.00 0.90 C ATOM 36 O PRO A 121 12.512 -5.959 2.702 1.00 1.00 O ATOM 37 CB PRO A 121 11.430 -3.400 4.067 1.00 0.96 C ATOM 38 CG PRO A 121 10.155 -2.803 3.580 1.00 1.00 C ATOM 39 CD PRO A 121 10.527 -1.917 2.421 1.00 0.82 C ATOM 0 HA PRO A 121 13.355 -3.507 2.992 1.00 0.87 H new ATOM 0 HB2 PRO A 121 11.258 -4.358 4.558 1.00 0.96 H new ATOM 0 HB3 PRO A 121 11.919 -2.752 4.795 1.00 0.96 H new ATOM 0 HG2 PRO A 121 9.455 -3.578 3.269 1.00 1.00 H new ATOM 0 HG3 PRO A 121 9.667 -2.230 4.368 1.00 1.00 H new ATOM 0 HD2 PRO A 121 9.763 -1.933 1.643 1.00 0.82 H new ATOM 0 HD3 PRO A 121 10.644 -0.879 2.732 1.00 0.82 H new ATOM 47 N ARG A 122 11.344 -4.953 1.065 1.00 0.86 N ATOM 48 CA ARG A 122 11.007 -6.194 0.392 1.00 0.94 C ATOM 49 C ARG A 122 12.135 -6.607 -0.548 1.00 0.90 C ATOM 50 O ARG A 122 12.659 -7.717 -0.448 1.00 1.05 O ATOM 51 CB ARG A 122 9.690 -6.030 -0.373 1.00 0.98 C ATOM 52 CG ARG A 122 9.145 -7.324 -0.958 1.00 0.97 C ATOM 53 CD ARG A 122 8.939 -8.378 0.120 1.00 1.11 C ATOM 54 NE ARG A 122 8.052 -7.925 1.196 1.00 1.54 N ATOM 55 CZ ARG A 122 7.732 -8.670 2.258 1.00 1.95 C ATOM 56 NH1 ARG A 122 8.244 -9.888 2.400 1.00 2.03 N ATOM 57 NH2 ARG A 122 6.921 -8.188 3.197 1.00 2.82 N ATOM 0 H ARG A 122 10.992 -4.114 0.603 1.00 0.86 H new ATOM 0 HA ARG A 122 10.879 -6.982 1.135 1.00 0.94 H new ATOM 0 HB2 ARG A 122 8.943 -5.605 0.298 1.00 0.98 H new ATOM 0 HB3 ARG A 122 9.838 -5.313 -1.181 1.00 0.98 H new ATOM 0 HG2 ARG A 122 8.199 -7.127 -1.462 1.00 0.97 H new ATOM 0 HG3 ARG A 122 9.835 -7.703 -1.712 1.00 0.97 H new ATOM 0 HD2 ARG A 122 8.523 -9.278 -0.333 1.00 1.11 H new ATOM 0 HD3 ARG A 122 9.905 -8.652 0.543 1.00 1.11 H new ATOM 0 HE ARG A 122 7.656 -6.987 1.130 1.00 1.54 H new ATOM 0 HH11 ARG A 122 8.884 -10.257 1.697 1.00 2.03 H new ATOM 0 HH12 ARG A 122 7.997 -10.453 3.212 1.00 2.03 H new ATOM 0 HH21 ARG A 122 6.541 -7.246 3.108 1.00 2.82 H new ATOM 0 HH22 ARG A 122 6.680 -8.761 4.006 1.00 2.82 H new ATOM 71 N CYS A 123 12.517 -5.704 -1.441 1.00 0.76 N ATOM 72 CA CYS A 123 13.577 -5.988 -2.398 1.00 0.78 C ATOM 73 C CYS A 123 14.937 -5.561 -1.852 1.00 0.76 C ATOM 74 O CYS A 123 15.981 -6.000 -2.335 1.00 0.86 O ATOM 75 CB CYS A 123 13.309 -5.268 -3.720 1.00 0.77 C ATOM 76 SG CYS A 123 11.600 -5.436 -4.321 1.00 0.88 S ATOM 0 H CYS A 123 12.110 -4.772 -1.523 1.00 0.76 H new ATOM 0 HA CYS A 123 13.591 -7.064 -2.569 1.00 0.78 H new ATOM 0 HB2 CYS A 123 13.538 -4.209 -3.598 1.00 0.77 H new ATOM 0 HB3 CYS A 123 13.990 -5.656 -4.478 1.00 0.77 H new ATOM 0 HG CYS A 123 11.128 -4.262 -4.621 1.00 0.88 H new ATOM 81 N GLY A 124 14.912 -4.691 -0.847 1.00 0.70 N ATOM 82 CA GLY A 124 16.137 -4.163 -0.284 1.00 0.73 C ATOM 83 C GLY A 124 16.732 -3.089 -1.169 1.00 0.71 C ATOM 84 O GLY A 124 17.949 -3.001 -1.317 1.00 0.85 O ATOM 0 H GLY A 124 14.058 -4.342 -0.412 1.00 0.70 H new ATOM 0 HA2 GLY A 124 15.937 -3.752 0.706 1.00 0.73 H new ATOM 0 HA3 GLY A 124 16.858 -4.971 -0.154 1.00 0.73 H new ATOM 88 N LYS A 125 15.868 -2.265 -1.750 1.00 0.61 N ATOM 89 CA LYS A 125 16.297 -1.263 -2.723 1.00 0.61 C ATOM 90 C LYS A 125 15.663 0.086 -2.425 1.00 0.57 C ATOM 91 O LYS A 125 14.499 0.156 -2.039 1.00 0.60 O ATOM 92 CB LYS A 125 15.910 -1.678 -4.146 1.00 0.63 C ATOM 93 CG LYS A 125 16.556 -2.959 -4.643 1.00 1.30 C ATOM 94 CD LYS A 125 16.226 -3.190 -6.111 1.00 1.71 C ATOM 95 CE LYS A 125 16.787 -4.503 -6.635 1.00 2.44 C ATOM 96 NZ LYS A 125 16.582 -4.632 -8.105 1.00 2.99 N ATOM 0 H LYS A 125 14.865 -2.270 -1.565 1.00 0.61 H new ATOM 0 HA LYS A 125 17.382 -1.185 -2.648 1.00 0.61 H new ATOM 0 HB2 LYS A 125 14.827 -1.794 -4.192 1.00 0.63 H new ATOM 0 HB3 LYS A 125 16.173 -0.869 -4.828 1.00 0.63 H new ATOM 0 HG2 LYS A 125 17.637 -2.902 -4.512 1.00 1.30 H new ATOM 0 HG3 LYS A 125 16.207 -3.803 -4.049 1.00 1.30 H new ATOM 0 HD2 LYS A 125 15.144 -3.183 -6.242 1.00 1.71 H new ATOM 0 HD3 LYS A 125 16.624 -2.366 -6.703 1.00 1.71 H new ATOM 0 HE2 LYS A 125 17.851 -4.562 -6.408 1.00 2.44 H new ATOM 0 HE3 LYS A 125 16.305 -5.336 -6.124 1.00 2.44 H new ATOM 0 HZ1 LYS A 125 16.975 -5.538 -8.432 1.00 2.99 H new ATOM 0 HZ2 LYS A 125 15.565 -4.599 -8.318 1.00 2.99 H new ATOM 0 HZ3 LYS A 125 17.063 -3.849 -8.593 1.00 2.99 H new ATOM 110 N SER A 126 16.427 1.150 -2.611 1.00 0.66 N ATOM 111 CA SER A 126 15.906 2.500 -2.462 1.00 0.68 C ATOM 112 C SER A 126 14.976 2.829 -3.626 1.00 0.57 C ATOM 113 O SER A 126 15.269 2.490 -4.777 1.00 0.66 O ATOM 114 CB SER A 126 17.064 3.496 -2.416 1.00 0.89 C ATOM 115 OG SER A 126 18.047 3.088 -1.477 1.00 1.37 O ATOM 0 H SER A 126 17.414 1.105 -2.866 1.00 0.66 H new ATOM 0 HA SER A 126 15.342 2.568 -1.532 1.00 0.68 H new ATOM 0 HB2 SER A 126 17.514 3.582 -3.405 1.00 0.89 H new ATOM 0 HB3 SER A 126 16.689 4.484 -2.149 1.00 0.89 H new ATOM 0 HG SER A 126 18.714 3.799 -1.372 1.00 1.37 H new ATOM 121 N VAL A 127 13.859 3.478 -3.329 1.00 0.52 N ATOM 122 CA VAL A 127 12.859 3.779 -4.344 1.00 0.45 C ATOM 123 C VAL A 127 12.614 5.281 -4.422 1.00 0.58 C ATOM 124 O VAL A 127 12.703 5.983 -3.420 1.00 0.80 O ATOM 125 CB VAL A 127 11.521 3.065 -4.047 1.00 0.50 C ATOM 126 CG1 VAL A 127 10.554 3.225 -5.208 1.00 0.63 C ATOM 127 CG2 VAL A 127 11.746 1.592 -3.739 1.00 0.71 C ATOM 0 H VAL A 127 13.622 3.806 -2.393 1.00 0.52 H new ATOM 0 HA VAL A 127 13.246 3.418 -5.297 1.00 0.45 H new ATOM 0 HB VAL A 127 11.080 3.533 -3.167 1.00 0.50 H new ATOM 0 HG11 VAL A 127 9.619 2.714 -4.976 1.00 0.63 H new ATOM 0 HG12 VAL A 127 10.357 4.284 -5.374 1.00 0.63 H new ATOM 0 HG13 VAL A 127 10.991 2.792 -6.108 1.00 0.63 H new ATOM 0 HG21 VAL A 127 10.789 1.113 -3.534 1.00 0.71 H new ATOM 0 HG22 VAL A 127 12.217 1.109 -4.595 1.00 0.71 H new ATOM 0 HG23 VAL A 127 12.394 1.497 -2.867 1.00 0.71 H new ATOM 137 N TYR A 128 12.317 5.773 -5.618 1.00 0.60 N ATOM 138 CA TYR A 128 12.003 7.179 -5.792 1.00 0.78 C ATOM 139 C TYR A 128 10.684 7.335 -6.555 1.00 0.58 C ATOM 140 O TYR A 128 10.098 6.343 -6.972 1.00 0.48 O ATOM 141 CB TYR A 128 13.150 7.906 -6.500 1.00 1.14 C ATOM 142 CG TYR A 128 13.085 9.411 -6.343 1.00 2.06 C ATOM 143 CD1 TYR A 128 12.714 9.994 -5.140 1.00 2.76 C ATOM 144 CD2 TYR A 128 13.412 10.249 -7.405 1.00 2.80 C ATOM 145 CE1 TYR A 128 12.666 11.366 -4.999 1.00 3.69 C ATOM 146 CE2 TYR A 128 13.369 11.621 -7.270 1.00 3.75 C ATOM 147 CZ TYR A 128 12.932 12.170 -6.046 1.00 4.06 C ATOM 148 OH TYR A 128 12.957 13.543 -5.923 1.00 5.08 O ATOM 0 H TYR A 128 12.288 5.221 -6.475 1.00 0.60 H new ATOM 0 HA TYR A 128 11.881 7.637 -4.810 1.00 0.78 H new ATOM 0 HB2 TYR A 128 14.100 7.546 -6.104 1.00 1.14 H new ATOM 0 HB3 TYR A 128 13.131 7.656 -7.561 1.00 1.14 H new ATOM 0 HD1 TYR A 128 12.459 9.364 -4.301 1.00 2.76 H new ATOM 0 HD2 TYR A 128 13.704 9.818 -8.351 1.00 2.80 H new ATOM 0 HE1 TYR A 128 12.413 11.798 -4.042 1.00 3.69 H new ATOM 0 HE2 TYR A 128 13.664 12.263 -8.086 1.00 3.75 H new ATOM 0 HH TYR A 128 13.169 13.945 -6.791 1.00 5.08 H new ATOM 158 N ALA A 129 10.247 8.584 -6.748 1.00 0.69 N ATOM 159 CA ALA A 129 8.895 8.908 -7.227 1.00 0.74 C ATOM 160 C ALA A 129 8.440 8.077 -8.428 1.00 0.75 C ATOM 161 O ALA A 129 7.315 7.579 -8.438 1.00 0.87 O ATOM 162 CB ALA A 129 8.812 10.384 -7.568 1.00 0.95 C ATOM 0 H ALA A 129 10.825 9.407 -6.575 1.00 0.69 H new ATOM 0 HA ALA A 129 8.218 8.658 -6.410 1.00 0.74 H new ATOM 0 HB1 ALA A 129 7.809 10.620 -7.923 1.00 0.95 H new ATOM 0 HB2 ALA A 129 9.031 10.976 -6.679 1.00 0.95 H new ATOM 0 HB3 ALA A 129 9.537 10.619 -8.348 1.00 0.95 H new ATOM 168 N ALA A 130 9.309 7.925 -9.421 1.00 0.80 N ATOM 169 CA ALA A 130 8.963 7.212 -10.655 1.00 1.00 C ATOM 170 C ALA A 130 8.531 5.761 -10.400 1.00 0.91 C ATOM 171 O ALA A 130 7.899 5.135 -11.250 1.00 1.16 O ATOM 172 CB ALA A 130 10.134 7.242 -11.623 1.00 1.21 C ATOM 0 H ALA A 130 10.263 8.286 -9.399 1.00 0.80 H new ATOM 0 HA ALA A 130 8.109 7.729 -11.091 1.00 1.00 H new ATOM 0 HB1 ALA A 130 9.866 6.710 -12.535 1.00 1.21 H new ATOM 0 HB2 ALA A 130 10.380 8.276 -11.865 1.00 1.21 H new ATOM 0 HB3 ALA A 130 10.998 6.762 -11.164 1.00 1.21 H new ATOM 178 N GLU A 131 8.880 5.232 -9.236 1.00 0.68 N ATOM 179 CA GLU A 131 8.521 3.868 -8.876 1.00 0.65 C ATOM 180 C GLU A 131 7.890 3.857 -7.480 1.00 0.46 C ATOM 181 O GLU A 131 7.599 2.802 -6.925 1.00 0.50 O ATOM 182 CB GLU A 131 9.778 2.992 -8.906 1.00 0.87 C ATOM 183 CG GLU A 131 9.508 1.494 -8.917 1.00 1.41 C ATOM 184 CD GLU A 131 8.895 1.013 -10.217 1.00 1.70 C ATOM 185 OE1 GLU A 131 9.568 1.100 -11.261 1.00 1.99 O ATOM 186 OE2 GLU A 131 7.728 0.563 -10.199 1.00 2.44 O ATOM 0 H GLU A 131 9.413 5.729 -8.523 1.00 0.68 H new ATOM 0 HA GLU A 131 7.797 3.472 -9.588 1.00 0.65 H new ATOM 0 HB2 GLU A 131 10.362 3.249 -9.789 1.00 0.87 H new ATOM 0 HB3 GLU A 131 10.392 3.231 -8.037 1.00 0.87 H new ATOM 0 HG2 GLU A 131 10.442 0.961 -8.743 1.00 1.41 H new ATOM 0 HG3 GLU A 131 8.840 1.245 -8.092 1.00 1.41 H new ATOM 193 N LYS A 132 7.657 5.049 -6.936 1.00 0.44 N ATOM 194 CA LYS A 132 7.257 5.202 -5.539 1.00 0.42 C ATOM 195 C LYS A 132 5.778 4.904 -5.322 1.00 0.44 C ATOM 196 O LYS A 132 4.909 5.731 -5.607 1.00 0.58 O ATOM 197 CB LYS A 132 7.591 6.615 -5.029 1.00 0.55 C ATOM 198 CG LYS A 132 7.008 6.940 -3.660 1.00 0.65 C ATOM 199 CD LYS A 132 7.542 8.256 -3.113 1.00 1.05 C ATOM 200 CE LYS A 132 7.269 9.420 -4.055 1.00 1.58 C ATOM 201 NZ LYS A 132 7.729 10.715 -3.485 1.00 2.18 N ATOM 0 H LYS A 132 7.739 5.929 -7.445 1.00 0.44 H new ATOM 0 HA LYS A 132 7.826 4.469 -4.967 1.00 0.42 H new ATOM 0 HB2 LYS A 132 8.674 6.726 -4.986 1.00 0.55 H new ATOM 0 HB3 LYS A 132 7.224 7.345 -5.750 1.00 0.55 H new ATOM 0 HG2 LYS A 132 5.921 6.991 -3.731 1.00 0.65 H new ATOM 0 HG3 LYS A 132 7.245 6.135 -2.964 1.00 0.65 H new ATOM 0 HD2 LYS A 132 7.084 8.458 -2.145 1.00 1.05 H new ATOM 0 HD3 LYS A 132 8.616 8.170 -2.946 1.00 1.05 H new ATOM 0 HE2 LYS A 132 7.772 9.243 -5.006 1.00 1.58 H new ATOM 0 HE3 LYS A 132 6.201 9.475 -4.264 1.00 1.58 H new ATOM 0 HZ1 LYS A 132 7.525 11.482 -4.157 1.00 2.18 H new ATOM 0 HZ2 LYS A 132 7.231 10.897 -2.590 1.00 2.18 H new ATOM 0 HZ3 LYS A 132 8.753 10.673 -3.309 1.00 2.18 H new ATOM 215 N VAL A 133 5.510 3.708 -4.829 1.00 0.39 N ATOM 216 CA VAL A 133 4.205 3.361 -4.291 1.00 0.44 C ATOM 217 C VAL A 133 4.371 3.083 -2.804 1.00 0.44 C ATOM 218 O VAL A 133 4.806 2.009 -2.399 1.00 0.50 O ATOM 219 CB VAL A 133 3.575 2.150 -5.016 1.00 0.49 C ATOM 220 CG1 VAL A 133 3.024 2.571 -6.370 1.00 1.02 C ATOM 221 CG2 VAL A 133 4.589 1.030 -5.191 1.00 0.88 C ATOM 0 H VAL A 133 6.190 2.949 -4.790 1.00 0.39 H new ATOM 0 HA VAL A 133 3.519 4.193 -4.449 1.00 0.44 H new ATOM 0 HB VAL A 133 2.757 1.778 -4.400 1.00 0.49 H new ATOM 0 HG11 VAL A 133 2.584 1.707 -6.868 1.00 1.02 H new ATOM 0 HG12 VAL A 133 2.261 3.337 -6.230 1.00 1.02 H new ATOM 0 HG13 VAL A 133 3.832 2.971 -6.983 1.00 1.02 H new ATOM 0 HG21 VAL A 133 4.119 0.191 -5.704 1.00 0.88 H new ATOM 0 HG22 VAL A 133 5.431 1.391 -5.782 1.00 0.88 H new ATOM 0 HG23 VAL A 133 4.944 0.705 -4.213 1.00 0.88 H new ATOM 231 N MET A 134 4.059 4.076 -1.989 1.00 0.54 N ATOM 232 CA MET A 134 4.446 4.040 -0.587 1.00 0.60 C ATOM 233 C MET A 134 3.539 3.154 0.262 1.00 0.57 C ATOM 234 O MET A 134 2.369 3.458 0.481 1.00 0.75 O ATOM 235 CB MET A 134 4.515 5.455 -0.002 1.00 0.83 C ATOM 236 CG MET A 134 3.221 6.250 -0.109 1.00 1.14 C ATOM 237 SD MET A 134 3.315 7.834 0.741 1.00 1.65 S ATOM 238 CE MET A 134 4.653 8.621 -0.150 1.00 1.78 C ATOM 0 H MET A 134 3.544 4.910 -2.269 1.00 0.54 H new ATOM 0 HA MET A 134 5.439 3.592 -0.556 1.00 0.60 H new ATOM 0 HB2 MET A 134 4.798 5.386 1.048 1.00 0.83 H new ATOM 0 HB3 MET A 134 5.307 6.005 -0.510 1.00 0.83 H new ATOM 0 HG2 MET A 134 2.987 6.418 -1.160 1.00 1.14 H new ATOM 0 HG3 MET A 134 2.403 5.664 0.310 1.00 1.14 H new ATOM 0 HE1 MET A 134 4.637 9.694 0.042 1.00 1.78 H new ATOM 0 HE2 MET A 134 5.605 8.207 0.183 1.00 1.78 H new ATOM 0 HE3 MET A 134 4.533 8.442 -1.219 1.00 1.78 H new ATOM 248 N GLY A 135 4.102 2.051 0.732 1.00 0.50 N ATOM 249 CA GLY A 135 3.439 1.246 1.732 1.00 0.61 C ATOM 250 C GLY A 135 3.917 1.635 3.114 1.00 0.70 C ATOM 251 O GLY A 135 5.122 1.625 3.382 1.00 0.77 O ATOM 0 H GLY A 135 5.012 1.699 0.435 1.00 0.50 H new ATOM 0 HA2 GLY A 135 2.360 1.380 1.661 1.00 0.61 H new ATOM 0 HA3 GLY A 135 3.641 0.190 1.553 1.00 0.61 H new ATOM 255 N GLY A 136 2.991 2.027 3.981 1.00 0.85 N ATOM 256 CA GLY A 136 3.363 2.494 5.306 1.00 1.03 C ATOM 257 C GLY A 136 3.981 3.881 5.264 1.00 1.08 C ATOM 258 O GLY A 136 4.554 4.353 6.249 1.00 1.72 O ATOM 0 H GLY A 136 1.989 2.030 3.791 1.00 0.85 H new ATOM 0 HA2 GLY A 136 2.481 2.508 5.947 1.00 1.03 H new ATOM 0 HA3 GLY A 136 4.070 1.795 5.752 1.00 1.03 H new ATOM 262 N GLY A 137 3.870 4.529 4.113 1.00 0.94 N ATOM 263 CA GLY A 137 4.420 5.859 3.950 1.00 0.98 C ATOM 264 C GLY A 137 5.797 5.845 3.320 1.00 0.87 C ATOM 265 O GLY A 137 6.366 6.898 3.034 1.00 1.04 O ATOM 0 H GLY A 137 3.406 4.155 3.285 1.00 0.94 H new ATOM 0 HA2 GLY A 137 3.747 6.453 3.332 1.00 0.98 H new ATOM 0 HA3 GLY A 137 4.474 6.348 4.923 1.00 0.98 H new ATOM 269 N LYS A 138 6.343 4.655 3.105 1.00 0.71 N ATOM 270 CA LYS A 138 7.661 4.517 2.494 1.00 0.71 C ATOM 271 C LYS A 138 7.541 3.845 1.129 1.00 0.53 C ATOM 272 O LYS A 138 6.855 2.838 0.986 1.00 0.52 O ATOM 273 CB LYS A 138 8.614 3.732 3.412 1.00 0.92 C ATOM 274 CG LYS A 138 9.111 4.527 4.617 1.00 1.15 C ATOM 275 CD LYS A 138 8.011 4.751 5.645 1.00 1.46 C ATOM 276 CE LYS A 138 8.343 5.896 6.587 1.00 2.11 C ATOM 277 NZ LYS A 138 9.580 5.641 7.372 1.00 2.69 N ATOM 0 H LYS A 138 5.894 3.771 3.344 1.00 0.71 H new ATOM 0 HA LYS A 138 8.082 5.512 2.353 1.00 0.71 H new ATOM 0 HB2 LYS A 138 8.105 2.836 3.766 1.00 0.92 H new ATOM 0 HB3 LYS A 138 9.473 3.401 2.829 1.00 0.92 H new ATOM 0 HG2 LYS A 138 9.941 3.997 5.084 1.00 1.15 H new ATOM 0 HG3 LYS A 138 9.496 5.490 4.282 1.00 1.15 H new ATOM 0 HD2 LYS A 138 7.072 4.962 5.133 1.00 1.46 H new ATOM 0 HD3 LYS A 138 7.861 3.838 6.221 1.00 1.46 H new ATOM 0 HE2 LYS A 138 8.463 6.814 6.011 1.00 2.11 H new ATOM 0 HE3 LYS A 138 7.508 6.055 7.270 1.00 2.11 H new ATOM 0 HZ1 LYS A 138 9.728 6.417 8.048 1.00 2.69 H new ATOM 0 HZ2 LYS A 138 9.484 4.744 7.890 1.00 2.69 H new ATOM 0 HZ3 LYS A 138 10.394 5.583 6.728 1.00 2.69 H new ATOM 291 N PRO A 139 8.180 4.431 0.104 1.00 0.51 N ATOM 292 CA PRO A 139 8.118 3.943 -1.282 1.00 0.46 C ATOM 293 C PRO A 139 8.511 2.477 -1.454 1.00 0.39 C ATOM 294 O PRO A 139 9.625 2.073 -1.123 1.00 0.51 O ATOM 295 CB PRO A 139 9.123 4.834 -2.030 1.00 0.60 C ATOM 296 CG PRO A 139 9.933 5.490 -0.966 1.00 0.72 C ATOM 297 CD PRO A 139 9.012 5.635 0.203 1.00 0.63 C ATOM 0 HA PRO A 139 7.094 3.995 -1.651 1.00 0.46 H new ATOM 0 HB2 PRO A 139 9.752 4.244 -2.696 1.00 0.60 H new ATOM 0 HB3 PRO A 139 8.611 5.573 -2.647 1.00 0.60 H new ATOM 0 HG2 PRO A 139 10.804 4.887 -0.708 1.00 0.72 H new ATOM 0 HG3 PRO A 139 10.304 6.460 -1.297 1.00 0.72 H new ATOM 0 HD2 PRO A 139 9.557 5.675 1.146 1.00 0.63 H new ATOM 0 HD3 PRO A 139 8.417 6.546 0.140 1.00 0.63 H new ATOM 305 N TRP A 140 7.576 1.699 -1.980 1.00 0.34 N ATOM 306 CA TRP A 140 7.852 0.349 -2.442 1.00 0.33 C ATOM 307 C TRP A 140 7.968 0.394 -3.958 1.00 0.31 C ATOM 308 O TRP A 140 7.906 1.473 -4.546 1.00 0.38 O ATOM 309 CB TRP A 140 6.728 -0.610 -2.024 1.00 0.40 C ATOM 310 CG TRP A 140 6.742 -0.972 -0.565 1.00 0.44 C ATOM 311 CD1 TRP A 140 6.802 -0.117 0.496 1.00 0.54 C ATOM 312 CD2 TRP A 140 6.679 -2.289 -0.013 1.00 0.51 C ATOM 313 NE1 TRP A 140 6.790 -0.822 1.673 1.00 0.61 N ATOM 314 CE2 TRP A 140 6.715 -2.158 1.388 1.00 0.58 C ATOM 315 CE3 TRP A 140 6.596 -3.568 -0.566 1.00 0.62 C ATOM 316 CZ2 TRP A 140 6.674 -3.259 2.240 1.00 0.69 C ATOM 317 CZ3 TRP A 140 6.556 -4.659 0.279 1.00 0.76 C ATOM 318 CH2 TRP A 140 6.593 -4.499 1.670 1.00 0.78 C ATOM 0 H TRP A 140 6.605 1.987 -2.098 1.00 0.34 H new ATOM 0 HA TRP A 140 8.778 -0.016 -1.997 1.00 0.33 H new ATOM 0 HB2 TRP A 140 5.768 -0.154 -2.265 1.00 0.40 H new ATOM 0 HB3 TRP A 140 6.805 -1.523 -2.615 1.00 0.40 H new ATOM 0 HD1 TRP A 140 6.852 0.959 0.421 1.00 0.54 H new ATOM 0 HE1 TRP A 140 6.830 -0.416 2.608 1.00 0.61 H new ATOM 0 HE3 TRP A 140 6.564 -3.702 -1.637 1.00 0.62 H new ATOM 0 HZ2 TRP A 140 6.705 -3.138 3.313 1.00 0.69 H new ATOM 0 HZ3 TRP A 140 6.495 -5.653 -0.140 1.00 0.76 H new ATOM 0 HH2 TRP A 140 6.557 -5.372 2.305 1.00 0.78 H new ATOM 329 N HIS A 141 8.111 -0.757 -4.589 1.00 0.34 N ATOM 330 CA HIS A 141 8.188 -0.816 -6.044 1.00 0.34 C ATOM 331 C HIS A 141 6.826 -1.181 -6.595 1.00 0.40 C ATOM 332 O HIS A 141 6.106 -1.961 -5.990 1.00 0.51 O ATOM 333 CB HIS A 141 9.197 -1.876 -6.503 1.00 0.42 C ATOM 334 CG HIS A 141 10.615 -1.592 -6.124 1.00 0.47 C ATOM 335 ND1 HIS A 141 11.115 -1.922 -4.891 1.00 0.68 N ATOM 336 CD2 HIS A 141 11.609 -1.040 -6.865 1.00 0.70 C ATOM 337 CE1 HIS A 141 12.389 -1.577 -4.900 1.00 0.71 C ATOM 338 NE2 HIS A 141 12.737 -1.037 -6.078 1.00 0.72 N ATOM 0 H HIS A 141 8.176 -1.662 -4.123 1.00 0.34 H new ATOM 0 HA HIS A 141 8.510 0.159 -6.410 1.00 0.34 H new ATOM 0 HB2 HIS A 141 8.908 -2.839 -6.082 1.00 0.42 H new ATOM 0 HB3 HIS A 141 9.137 -1.971 -7.587 1.00 0.42 H new ATOM 0 HD1 HIS A 141 10.604 -2.350 -4.119 1.00 0.68 H new ATOM 0 HD2 HIS A 141 11.530 -0.674 -7.878 1.00 0.70 H new ATOM 0 HE1 HIS A 141 13.064 -1.712 -4.067 1.00 0.71 H new ATOM 346 N LYS A 142 6.473 -0.627 -7.745 1.00 0.49 N ATOM 347 CA LYS A 142 5.240 -1.011 -8.414 1.00 0.65 C ATOM 348 C LYS A 142 5.375 -2.445 -8.920 1.00 0.71 C ATOM 349 O LYS A 142 4.388 -3.146 -9.142 1.00 0.89 O ATOM 350 CB LYS A 142 4.949 -0.049 -9.568 1.00 0.85 C ATOM 351 CG LYS A 142 3.687 -0.362 -10.352 1.00 1.52 C ATOM 352 CD LYS A 142 3.573 0.506 -11.600 1.00 1.88 C ATOM 353 CE LYS A 142 4.645 0.171 -12.635 1.00 2.60 C ATOM 354 NZ LYS A 142 5.993 0.692 -12.271 1.00 3.19 N ATOM 0 H LYS A 142 7.018 0.085 -8.231 1.00 0.49 H new ATOM 0 HA LYS A 142 4.406 -0.959 -7.714 1.00 0.65 H new ATOM 0 HB2 LYS A 142 4.871 0.962 -9.169 1.00 0.85 H new ATOM 0 HB3 LYS A 142 5.797 -0.057 -10.253 1.00 0.85 H new ATOM 0 HG2 LYS A 142 3.687 -1.414 -10.638 1.00 1.52 H new ATOM 0 HG3 LYS A 142 2.815 -0.204 -9.717 1.00 1.52 H new ATOM 0 HD2 LYS A 142 2.587 0.373 -12.045 1.00 1.88 H new ATOM 0 HD3 LYS A 142 3.657 1.556 -11.319 1.00 1.88 H new ATOM 0 HE2 LYS A 142 4.700 -0.911 -12.754 1.00 2.60 H new ATOM 0 HE3 LYS A 142 4.351 0.584 -13.600 1.00 2.60 H new ATOM 0 HZ1 LYS A 142 6.478 1.029 -13.127 1.00 3.19 H new ATOM 0 HZ2 LYS A 142 5.891 1.479 -11.599 1.00 3.19 H new ATOM 0 HZ3 LYS A 142 6.552 -0.068 -11.833 1.00 3.19 H new ATOM 368 N THR A 143 6.622 -2.872 -9.078 1.00 0.69 N ATOM 369 CA THR A 143 6.935 -4.240 -9.456 1.00 0.84 C ATOM 370 C THR A 143 6.655 -5.200 -8.302 1.00 0.84 C ATOM 371 O THR A 143 6.079 -6.269 -8.502 1.00 1.10 O ATOM 372 CB THR A 143 8.409 -4.358 -9.877 1.00 0.95 C ATOM 373 OG1 THR A 143 8.746 -3.272 -10.750 1.00 1.38 O ATOM 374 CG2 THR A 143 8.670 -5.678 -10.588 1.00 1.47 C ATOM 0 H THR A 143 7.442 -2.279 -8.947 1.00 0.69 H new ATOM 0 HA THR A 143 6.299 -4.508 -10.299 1.00 0.84 H new ATOM 0 HB THR A 143 9.027 -4.321 -8.980 1.00 0.95 H new ATOM 0 HG1 THR A 143 9.686 -3.346 -11.017 1.00 1.38 H new ATOM 0 HG21 THR A 143 9.720 -5.735 -10.875 1.00 1.47 H new ATOM 0 HG22 THR A 143 8.431 -6.505 -9.919 1.00 1.47 H new ATOM 0 HG23 THR A 143 8.046 -5.740 -11.480 1.00 1.47 H new ATOM 382 N CYS A 144 7.036 -4.803 -7.093 1.00 0.68 N ATOM 383 CA CYS A 144 6.835 -5.643 -5.924 1.00 0.76 C ATOM 384 C CYS A 144 5.562 -5.234 -5.202 1.00 0.81 C ATOM 385 O CYS A 144 5.289 -5.702 -4.094 1.00 0.96 O ATOM 386 CB CYS A 144 8.021 -5.531 -4.974 1.00 0.73 C ATOM 387 SG CYS A 144 8.201 -3.886 -4.216 1.00 1.14 S ATOM 0 H CYS A 144 7.484 -3.907 -6.900 1.00 0.68 H new ATOM 0 HA CYS A 144 6.746 -6.678 -6.255 1.00 0.76 H new ATOM 0 HB2 CYS A 144 7.914 -6.275 -4.185 1.00 0.73 H new ATOM 0 HB3 CYS A 144 8.934 -5.772 -5.518 1.00 0.73 H new ATOM 0 HG CYS A 144 9.165 -3.913 -3.344 1.00 1.14 H new ATOM 392 N PHE A 145 4.791 -4.354 -5.836 1.00 0.80 N ATOM 393 CA PHE A 145 3.527 -3.900 -5.281 1.00 0.86 C ATOM 394 C PHE A 145 2.491 -4.994 -5.449 1.00 0.79 C ATOM 395 O PHE A 145 1.428 -4.808 -6.042 1.00 0.81 O ATOM 396 CB PHE A 145 3.068 -2.609 -5.959 1.00 0.94 C ATOM 397 CG PHE A 145 2.308 -1.693 -5.047 1.00 0.97 C ATOM 398 CD1 PHE A 145 2.572 -1.679 -3.691 1.00 1.03 C ATOM 399 CD2 PHE A 145 1.308 -0.869 -5.545 1.00 1.05 C ATOM 400 CE1 PHE A 145 1.861 -0.857 -2.844 1.00 1.10 C ATOM 401 CE2 PHE A 145 0.591 -0.049 -4.704 1.00 1.13 C ATOM 402 CZ PHE A 145 0.938 0.041 -3.375 1.00 1.13 C ATOM 0 H PHE A 145 5.025 -3.942 -6.739 1.00 0.80 H new ATOM 0 HA PHE A 145 3.656 -3.685 -4.220 1.00 0.86 H new ATOM 0 HB2 PHE A 145 3.940 -2.082 -6.347 1.00 0.94 H new ATOM 0 HB3 PHE A 145 2.441 -2.860 -6.814 1.00 0.94 H new ATOM 0 HD1 PHE A 145 3.344 -2.319 -3.290 1.00 1.03 H new ATOM 0 HD2 PHE A 145 1.091 -0.871 -6.603 1.00 1.05 H new ATOM 0 HE1 PHE A 145 2.018 -0.909 -1.777 1.00 1.10 H new ATOM 0 HE2 PHE A 145 -0.242 0.523 -5.086 1.00 1.13 H new ATOM 0 HZ PHE A 145 0.498 0.803 -2.748 1.00 1.13 H new ATOM 412 N ARG A 146 2.848 -6.144 -4.934 1.00 0.76 N ATOM 413 CA ARG A 146 2.044 -7.323 -5.019 1.00 0.69 C ATOM 414 C ARG A 146 2.117 -8.041 -3.691 1.00 0.66 C ATOM 415 O ARG A 146 3.206 -8.279 -3.159 1.00 0.95 O ATOM 416 CB ARG A 146 2.536 -8.219 -6.167 1.00 0.77 C ATOM 417 CG ARG A 146 3.981 -8.677 -6.040 1.00 1.08 C ATOM 418 CD ARG A 146 4.397 -9.506 -7.243 1.00 1.13 C ATOM 419 NE ARG A 146 5.724 -10.095 -7.076 1.00 1.61 N ATOM 420 CZ ARG A 146 6.095 -11.259 -7.609 1.00 1.86 C ATOM 421 NH1 ARG A 146 5.234 -11.970 -8.330 1.00 1.73 N ATOM 422 NH2 ARG A 146 7.329 -11.710 -7.418 1.00 2.78 N ATOM 0 H ARG A 146 3.726 -6.283 -4.434 1.00 0.76 H new ATOM 0 HA ARG A 146 1.007 -7.063 -5.232 1.00 0.69 H new ATOM 0 HB2 ARG A 146 1.894 -9.098 -6.225 1.00 0.77 H new ATOM 0 HB3 ARG A 146 2.421 -7.678 -7.107 1.00 0.77 H new ATOM 0 HG2 ARG A 146 4.634 -7.809 -5.948 1.00 1.08 H new ATOM 0 HG3 ARG A 146 4.101 -9.264 -5.130 1.00 1.08 H new ATOM 0 HD2 ARG A 146 3.667 -10.299 -7.405 1.00 1.13 H new ATOM 0 HD3 ARG A 146 4.389 -8.879 -8.134 1.00 1.13 H new ATOM 0 HE ARG A 146 6.408 -9.584 -6.518 1.00 1.61 H new ATOM 0 HH11 ARG A 146 4.285 -11.625 -8.477 1.00 1.73 H new ATOM 0 HH12 ARG A 146 5.522 -12.860 -8.736 1.00 1.73 H new ATOM 0 HH21 ARG A 146 7.991 -11.166 -6.864 1.00 2.78 H new ATOM 0 HH22 ARG A 146 7.615 -12.600 -7.825 1.00 2.78 H new ATOM 436 N CYS A 147 0.966 -8.345 -3.130 1.00 0.42 N ATOM 437 CA CYS A 147 0.924 -9.002 -1.849 1.00 0.43 C ATOM 438 C CYS A 147 1.554 -10.375 -1.956 1.00 0.52 C ATOM 439 O CYS A 147 1.384 -11.083 -2.966 1.00 0.53 O ATOM 440 CB CYS A 147 -0.491 -9.110 -1.351 1.00 0.43 C ATOM 441 SG CYS A 147 -1.086 -10.805 -1.168 1.00 0.68 S ATOM 0 H CYS A 147 0.054 -8.147 -3.541 1.00 0.42 H new ATOM 0 HA CYS A 147 1.489 -8.407 -1.132 1.00 0.43 H new ATOM 0 HB2 CYS A 147 -0.564 -8.605 -0.388 1.00 0.43 H new ATOM 0 HB3 CYS A 147 -1.148 -8.579 -2.040 1.00 0.43 H new ATOM 0 HG CYS A 147 -2.245 -10.797 -0.578 1.00 0.68 H new ATOM 446 N ALA A 148 2.282 -10.730 -0.913 1.00 0.67 N ATOM 447 CA ALA A 148 3.050 -11.967 -0.879 1.00 0.82 C ATOM 448 C ALA A 148 2.166 -13.198 -0.689 1.00 0.84 C ATOM 449 O ALA A 148 2.633 -14.326 -0.835 1.00 0.98 O ATOM 450 CB ALA A 148 4.103 -11.898 0.215 1.00 1.02 C ATOM 0 H ALA A 148 2.359 -10.170 -0.064 1.00 0.67 H new ATOM 0 HA ALA A 148 3.538 -12.072 -1.848 1.00 0.82 H new ATOM 0 HB1 ALA A 148 4.672 -12.828 0.232 1.00 1.02 H new ATOM 0 HB2 ALA A 148 4.777 -11.064 0.019 1.00 1.02 H new ATOM 0 HB3 ALA A 148 3.617 -11.753 1.180 1.00 1.02 H new ATOM 456 N ILE A 149 0.893 -12.989 -0.367 1.00 0.76 N ATOM 457 CA ILE A 149 -0.009 -14.108 -0.122 1.00 0.84 C ATOM 458 C ILE A 149 -0.636 -14.598 -1.422 1.00 0.85 C ATOM 459 O ILE A 149 -0.678 -15.803 -1.681 1.00 1.00 O ATOM 460 CB ILE A 149 -1.118 -13.751 0.894 1.00 0.82 C ATOM 461 CG1 ILE A 149 -0.499 -13.489 2.270 1.00 0.86 C ATOM 462 CG2 ILE A 149 -2.150 -14.870 0.975 1.00 0.97 C ATOM 463 CD1 ILE A 149 -1.517 -13.284 3.368 1.00 1.02 C ATOM 0 H ILE A 149 0.467 -12.067 -0.271 1.00 0.76 H new ATOM 0 HA ILE A 149 0.594 -14.908 0.308 1.00 0.84 H new ATOM 0 HB ILE A 149 -1.625 -12.846 0.558 1.00 0.82 H new ATOM 0 HG12 ILE A 149 0.143 -14.329 2.535 1.00 0.86 H new ATOM 0 HG13 ILE A 149 0.139 -12.607 2.209 1.00 0.86 H new ATOM 0 HG21 ILE A 149 -2.923 -14.601 1.695 1.00 0.97 H new ATOM 0 HG22 ILE A 149 -2.603 -15.019 -0.005 1.00 0.97 H new ATOM 0 HG23 ILE A 149 -1.663 -15.792 1.293 1.00 0.97 H new ATOM 0 HD11 ILE A 149 -1.003 -13.104 4.312 1.00 1.02 H new ATOM 0 HD12 ILE A 149 -2.144 -12.426 3.127 1.00 1.02 H new ATOM 0 HD13 ILE A 149 -2.139 -14.174 3.458 1.00 1.02 H new ATOM 475 N CYS A 150 -1.105 -13.675 -2.251 1.00 0.73 N ATOM 476 CA CYS A 150 -1.682 -14.050 -3.526 1.00 0.79 C ATOM 477 C CYS A 150 -0.596 -14.050 -4.589 1.00 0.75 C ATOM 478 O CYS A 150 -0.715 -14.693 -5.633 1.00 0.87 O ATOM 479 CB CYS A 150 -2.799 -13.079 -3.925 1.00 0.78 C ATOM 480 SG CYS A 150 -3.968 -12.672 -2.585 1.00 0.82 S ATOM 0 H CYS A 150 -1.096 -12.673 -2.063 1.00 0.73 H new ATOM 0 HA CYS A 150 -2.112 -15.048 -3.437 1.00 0.79 H new ATOM 0 HB2 CYS A 150 -2.347 -12.156 -4.288 1.00 0.78 H new ATOM 0 HB3 CYS A 150 -3.356 -13.509 -4.757 1.00 0.78 H new ATOM 0 HG CYS A 150 -3.366 -11.947 -1.690 1.00 0.82 H new ATOM 485 N GLY A 151 0.483 -13.338 -4.286 1.00 0.66 N ATOM 486 CA GLY A 151 1.504 -13.081 -5.273 1.00 0.70 C ATOM 487 C GLY A 151 0.970 -12.140 -6.321 1.00 0.66 C ATOM 488 O GLY A 151 1.462 -12.097 -7.449 1.00 0.76 O ATOM 0 H GLY A 151 0.666 -12.934 -3.368 1.00 0.66 H new ATOM 0 HA2 GLY A 151 2.384 -12.649 -4.796 1.00 0.70 H new ATOM 0 HA3 GLY A 151 1.819 -14.016 -5.736 1.00 0.70 H new ATOM 492 N LYS A 152 -0.031 -11.362 -5.929 1.00 0.58 N ATOM 493 CA LYS A 152 -0.823 -10.617 -6.891 1.00 0.64 C ATOM 494 C LYS A 152 -0.511 -9.142 -6.862 1.00 0.56 C ATOM 495 O LYS A 152 -0.512 -8.518 -5.802 1.00 0.50 O ATOM 496 CB LYS A 152 -2.308 -10.804 -6.627 1.00 0.80 C ATOM 497 CG LYS A 152 -3.180 -10.085 -7.643 1.00 0.89 C ATOM 498 CD LYS A 152 -4.630 -10.088 -7.217 1.00 1.39 C ATOM 499 CE LYS A 152 -4.909 -9.063 -6.122 1.00 1.75 C ATOM 500 NZ LYS A 152 -4.626 -7.669 -6.565 1.00 2.37 N ATOM 0 H LYS A 152 -0.310 -11.233 -4.957 1.00 0.58 H new ATOM 0 HA LYS A 152 -0.565 -11.010 -7.874 1.00 0.64 H new ATOM 0 HB2 LYS A 152 -2.544 -11.868 -6.640 1.00 0.80 H new ATOM 0 HB3 LYS A 152 -2.544 -10.438 -5.628 1.00 0.80 H new ATOM 0 HG2 LYS A 152 -2.835 -9.058 -7.760 1.00 0.89 H new ATOM 0 HG3 LYS A 152 -3.083 -10.567 -8.616 1.00 0.89 H new ATOM 0 HD2 LYS A 152 -5.261 -9.877 -8.080 1.00 1.39 H new ATOM 0 HD3 LYS A 152 -4.900 -11.082 -6.860 1.00 1.39 H new ATOM 0 HE2 LYS A 152 -5.952 -9.139 -5.814 1.00 1.75 H new ATOM 0 HE3 LYS A 152 -4.301 -9.294 -5.248 1.00 1.75 H new ATOM 0 HZ1 LYS A 152 -4.987 -6.999 -5.856 1.00 2.37 H new ATOM 0 HZ2 LYS A 152 -3.600 -7.540 -6.672 1.00 2.37 H new ATOM 0 HZ3 LYS A 152 -5.094 -7.493 -7.477 1.00 2.37 H new ATOM 514 N SER A 153 -0.283 -8.586 -8.038 1.00 0.67 N ATOM 515 CA SER A 153 -0.004 -7.175 -8.170 1.00 0.73 C ATOM 516 C SER A 153 -1.247 -6.367 -7.829 1.00 0.76 C ATOM 517 O SER A 153 -2.357 -6.712 -8.245 1.00 0.94 O ATOM 518 CB SER A 153 0.456 -6.868 -9.592 1.00 0.91 C ATOM 519 OG SER A 153 1.626 -7.600 -9.914 1.00 1.46 O ATOM 0 H SER A 153 -0.287 -9.099 -8.920 1.00 0.67 H new ATOM 0 HA SER A 153 0.792 -6.900 -7.478 1.00 0.73 H new ATOM 0 HB2 SER A 153 -0.338 -7.115 -10.297 1.00 0.91 H new ATOM 0 HB3 SER A 153 0.651 -5.800 -9.693 1.00 0.91 H new ATOM 0 HG SER A 153 1.902 -7.389 -10.830 1.00 1.46 H new ATOM 525 N LEU A 154 -1.065 -5.319 -7.055 1.00 0.71 N ATOM 526 CA LEU A 154 -2.170 -4.471 -6.658 1.00 0.76 C ATOM 527 C LEU A 154 -2.518 -3.514 -7.789 1.00 0.92 C ATOM 528 O LEU A 154 -1.695 -2.712 -8.228 1.00 1.13 O ATOM 529 CB LEU A 154 -1.812 -3.740 -5.366 1.00 0.70 C ATOM 530 CG LEU A 154 -1.487 -4.682 -4.202 1.00 0.70 C ATOM 531 CD1 LEU A 154 -0.996 -3.919 -2.984 1.00 0.85 C ATOM 532 CD2 LEU A 154 -2.709 -5.514 -3.842 1.00 0.86 C ATOM 0 H LEU A 154 -0.158 -5.032 -6.686 1.00 0.71 H new ATOM 0 HA LEU A 154 -3.057 -5.073 -6.461 1.00 0.76 H new ATOM 0 HB2 LEU A 154 -0.955 -3.093 -5.550 1.00 0.70 H new ATOM 0 HB3 LEU A 154 -2.643 -3.095 -5.080 1.00 0.70 H new ATOM 0 HG LEU A 154 -0.684 -5.344 -4.526 1.00 0.70 H new ATOM 0 HD11 LEU A 154 -0.776 -4.621 -2.180 1.00 0.85 H new ATOM 0 HD12 LEU A 154 -0.092 -3.366 -3.241 1.00 0.85 H new ATOM 0 HD13 LEU A 154 -1.767 -3.222 -2.656 1.00 0.85 H new ATOM 0 HD21 LEU A 154 -2.465 -6.179 -3.014 1.00 0.86 H new ATOM 0 HD22 LEU A 154 -3.525 -4.854 -3.549 1.00 0.86 H new ATOM 0 HD23 LEU A 154 -3.013 -6.106 -4.705 1.00 0.86 H new ATOM 544 N GLU A 155 -3.743 -3.642 -8.267 1.00 1.24 N ATOM 545 CA GLU A 155 -4.193 -2.968 -9.476 1.00 1.53 C ATOM 546 C GLU A 155 -5.053 -1.758 -9.142 1.00 1.73 C ATOM 547 O GLU A 155 -5.361 -0.937 -10.007 1.00 2.45 O ATOM 548 CB GLU A 155 -4.989 -3.949 -10.352 1.00 1.96 C ATOM 549 CG GLU A 155 -6.266 -4.492 -9.702 1.00 2.39 C ATOM 550 CD GLU A 155 -6.003 -5.419 -8.523 1.00 3.01 C ATOM 551 OE1 GLU A 155 -5.869 -4.922 -7.384 1.00 3.46 O ATOM 552 OE2 GLU A 155 -5.946 -6.652 -8.727 1.00 3.54 O ATOM 0 H GLU A 155 -4.459 -4.219 -7.826 1.00 1.24 H new ATOM 0 HA GLU A 155 -3.315 -2.621 -10.021 1.00 1.53 H new ATOM 0 HB2 GLU A 155 -5.255 -3.450 -11.284 1.00 1.96 H new ATOM 0 HB3 GLU A 155 -4.344 -4.788 -10.613 1.00 1.96 H new ATOM 0 HG2 GLU A 155 -6.877 -3.654 -9.366 1.00 2.39 H new ATOM 0 HG3 GLU A 155 -6.846 -5.028 -10.453 1.00 2.39 H new ATOM 559 N SER A 156 -5.454 -1.668 -7.889 1.00 1.83 N ATOM 560 CA SER A 156 -6.272 -0.563 -7.423 1.00 2.22 C ATOM 561 C SER A 156 -5.865 -0.198 -6.007 1.00 1.96 C ATOM 562 O SER A 156 -4.980 -0.837 -5.430 1.00 2.65 O ATOM 563 CB SER A 156 -7.750 -0.951 -7.475 1.00 3.04 C ATOM 564 OG SER A 156 -8.124 -1.350 -8.782 1.00 3.58 O ATOM 0 H SER A 156 -5.225 -2.353 -7.169 1.00 1.83 H new ATOM 0 HA SER A 156 -6.121 0.302 -8.069 1.00 2.22 H new ATOM 0 HB2 SER A 156 -7.941 -1.764 -6.774 1.00 3.04 H new ATOM 0 HB3 SER A 156 -8.363 -0.107 -7.159 1.00 3.04 H new ATOM 0 HG SER A 156 -9.073 -1.595 -8.790 1.00 3.58 H new ATOM 570 N THR A 157 -6.516 0.808 -5.438 1.00 1.62 N ATOM 571 CA THR A 157 -6.163 1.292 -4.111 1.00 1.69 C ATOM 572 C THR A 157 -6.700 0.371 -3.011 1.00 1.51 C ATOM 573 O THR A 157 -7.313 0.820 -2.045 1.00 2.11 O ATOM 574 CB THR A 157 -6.674 2.731 -3.892 1.00 2.15 C ATOM 575 OG1 THR A 157 -8.075 2.816 -4.194 1.00 2.66 O ATOM 576 CG2 THR A 157 -5.898 3.707 -4.763 1.00 2.67 C ATOM 0 H THR A 157 -7.292 1.305 -5.876 1.00 1.62 H new ATOM 0 HA THR A 157 -5.075 1.293 -4.050 1.00 1.69 H new ATOM 0 HB THR A 157 -6.522 2.993 -2.845 1.00 2.15 H new ATOM 0 HG1 THR A 157 -8.386 3.734 -4.049 1.00 2.66 H new ATOM 0 HG21 THR A 157 -6.270 4.718 -4.597 1.00 2.67 H new ATOM 0 HG22 THR A 157 -4.840 3.663 -4.505 1.00 2.67 H new ATOM 0 HG23 THR A 157 -6.027 3.440 -5.812 1.00 2.67 H new ATOM 584 N ASN A 158 -6.463 -0.927 -3.169 1.00 1.17 N ATOM 585 CA ASN A 158 -6.816 -1.903 -2.152 1.00 1.14 C ATOM 586 C ASN A 158 -5.554 -2.348 -1.431 1.00 0.94 C ATOM 587 O ASN A 158 -5.428 -3.491 -0.995 1.00 1.16 O ATOM 588 CB ASN A 158 -7.561 -3.104 -2.758 1.00 1.38 C ATOM 589 CG ASN A 158 -6.792 -3.834 -3.851 1.00 1.61 C ATOM 590 OD1 ASN A 158 -6.008 -4.742 -3.577 1.00 2.30 O ATOM 591 ND2 ASN A 158 -7.053 -3.475 -5.101 1.00 2.09 N ATOM 0 H ASN A 158 -6.025 -1.327 -3.999 1.00 1.17 H new ATOM 0 HA ASN A 158 -7.495 -1.439 -1.437 1.00 1.14 H new ATOM 0 HB2 ASN A 158 -7.795 -3.810 -1.962 1.00 1.38 H new ATOM 0 HB3 ASN A 158 -8.510 -2.759 -3.167 1.00 1.38 H new ATOM 0 HD21 ASN A 158 -6.597 -3.957 -5.876 1.00 2.09 H new ATOM 0 HD22 ASN A 158 -7.709 -2.717 -5.287 1.00 2.09 H new ATOM 598 N VAL A 159 -4.634 -1.405 -1.290 1.00 0.79 N ATOM 599 CA VAL A 159 -3.345 -1.661 -0.671 1.00 0.72 C ATOM 600 C VAL A 159 -3.480 -1.668 0.842 1.00 0.69 C ATOM 601 O VAL A 159 -3.928 -0.687 1.436 1.00 0.83 O ATOM 602 CB VAL A 159 -2.310 -0.583 -1.060 1.00 0.94 C ATOM 603 CG1 VAL A 159 -0.927 -0.964 -0.559 1.00 1.27 C ATOM 604 CG2 VAL A 159 -2.299 -0.349 -2.564 1.00 1.59 C ATOM 0 H VAL A 159 -4.761 -0.442 -1.602 1.00 0.79 H new ATOM 0 HA VAL A 159 -3.003 -2.633 -1.026 1.00 0.72 H new ATOM 0 HB VAL A 159 -2.601 0.352 -0.582 1.00 0.94 H new ATOM 0 HG11 VAL A 159 -0.212 -0.192 -0.843 1.00 1.27 H new ATOM 0 HG12 VAL A 159 -0.947 -1.059 0.527 1.00 1.27 H new ATOM 0 HG13 VAL A 159 -0.629 -1.915 -1.001 1.00 1.27 H new ATOM 0 HG21 VAL A 159 -1.561 0.415 -2.808 1.00 1.59 H new ATOM 0 HG22 VAL A 159 -2.043 -1.277 -3.075 1.00 1.59 H new ATOM 0 HG23 VAL A 159 -3.285 -0.017 -2.888 1.00 1.59 H new ATOM 614 N THR A 160 -3.108 -2.773 1.462 1.00 0.62 N ATOM 615 CA THR A 160 -3.158 -2.880 2.908 1.00 0.67 C ATOM 616 C THR A 160 -1.869 -3.499 3.440 1.00 0.70 C ATOM 617 O THR A 160 -1.536 -4.635 3.111 1.00 0.81 O ATOM 618 CB THR A 160 -4.363 -3.727 3.360 1.00 0.71 C ATOM 619 OG1 THR A 160 -5.549 -3.289 2.679 1.00 1.16 O ATOM 620 CG2 THR A 160 -4.570 -3.610 4.862 1.00 1.08 C ATOM 0 H THR A 160 -2.768 -3.609 0.987 1.00 0.62 H new ATOM 0 HA THR A 160 -3.269 -1.874 3.313 1.00 0.67 H new ATOM 0 HB THR A 160 -4.162 -4.770 3.114 1.00 0.71 H new ATOM 0 HG1 THR A 160 -6.312 -3.832 2.969 1.00 1.16 H new ATOM 0 HG21 THR A 160 -5.426 -4.216 5.160 1.00 1.08 H new ATOM 0 HG22 THR A 160 -3.678 -3.962 5.381 1.00 1.08 H new ATOM 0 HG23 THR A 160 -4.754 -2.568 5.124 1.00 1.08 H new ATOM 628 N ASP A 161 -1.130 -2.743 4.236 1.00 0.82 N ATOM 629 CA ASP A 161 0.101 -3.244 4.832 1.00 0.93 C ATOM 630 C ASP A 161 -0.150 -3.614 6.286 1.00 0.96 C ATOM 631 O ASP A 161 -1.083 -3.104 6.910 1.00 1.06 O ATOM 632 CB ASP A 161 1.227 -2.204 4.746 1.00 1.18 C ATOM 633 CG ASP A 161 1.115 -1.113 5.797 1.00 1.61 C ATOM 634 OD1 ASP A 161 0.397 -0.117 5.552 1.00 2.27 O ATOM 635 OD2 ASP A 161 1.735 -1.250 6.874 1.00 2.13 O ATOM 0 H ASP A 161 -1.360 -1.781 4.485 1.00 0.82 H new ATOM 0 HA ASP A 161 0.415 -4.127 4.275 1.00 0.93 H new ATOM 0 HB2 ASP A 161 2.187 -2.708 4.855 1.00 1.18 H new ATOM 0 HB3 ASP A 161 1.217 -1.748 3.756 1.00 1.18 H new ATOM 640 N LYS A 162 0.676 -4.502 6.817 1.00 0.98 N ATOM 641 CA LYS A 162 0.551 -4.919 8.205 1.00 1.10 C ATOM 642 C LYS A 162 1.849 -5.546 8.696 1.00 1.22 C ATOM 643 O LYS A 162 2.213 -6.646 8.280 1.00 1.27 O ATOM 644 CB LYS A 162 -0.613 -5.902 8.382 1.00 1.17 C ATOM 645 CG LYS A 162 -0.790 -6.390 9.814 1.00 1.55 C ATOM 646 CD LYS A 162 -1.995 -7.306 9.947 1.00 1.86 C ATOM 647 CE LYS A 162 -3.303 -6.560 9.721 1.00 2.36 C ATOM 648 NZ LYS A 162 -3.572 -5.569 10.794 1.00 2.95 N ATOM 0 H LYS A 162 1.440 -4.948 6.308 1.00 0.98 H new ATOM 0 HA LYS A 162 0.343 -4.032 8.803 1.00 1.10 H new ATOM 0 HB2 LYS A 162 -1.535 -5.422 8.054 1.00 1.17 H new ATOM 0 HB3 LYS A 162 -0.453 -6.762 7.732 1.00 1.17 H new ATOM 0 HG2 LYS A 162 0.108 -6.920 10.132 1.00 1.55 H new ATOM 0 HG3 LYS A 162 -0.907 -5.534 10.479 1.00 1.55 H new ATOM 0 HD2 LYS A 162 -1.913 -8.121 9.228 1.00 1.86 H new ATOM 0 HD3 LYS A 162 -2.001 -7.756 10.940 1.00 1.86 H new ATOM 0 HE2 LYS A 162 -3.268 -6.051 8.758 1.00 2.36 H new ATOM 0 HE3 LYS A 162 -4.124 -7.275 9.674 1.00 2.36 H new ATOM 0 HZ1 LYS A 162 -4.548 -5.219 10.707 1.00 2.95 H new ATOM 0 HZ2 LYS A 162 -3.447 -6.020 11.723 1.00 2.95 H new ATOM 0 HZ3 LYS A 162 -2.910 -4.772 10.705 1.00 2.95 H new ATOM 662 N ASP A 163 2.548 -4.813 9.554 1.00 1.37 N ATOM 663 CA ASP A 163 3.763 -5.301 10.211 1.00 1.58 C ATOM 664 C ASP A 163 4.809 -5.743 9.184 1.00 1.48 C ATOM 665 O ASP A 163 5.267 -6.886 9.182 1.00 1.94 O ATOM 666 CB ASP A 163 3.419 -6.455 11.164 1.00 1.83 C ATOM 667 CG ASP A 163 4.554 -6.790 12.108 1.00 2.42 C ATOM 668 OD1 ASP A 163 4.872 -5.964 12.990 1.00 2.80 O ATOM 669 OD2 ASP A 163 5.146 -7.878 11.960 1.00 2.97 O ATOM 0 H ASP A 163 2.291 -3.861 9.817 1.00 1.37 H new ATOM 0 HA ASP A 163 4.192 -4.482 10.789 1.00 1.58 H new ATOM 0 HB2 ASP A 163 2.535 -6.191 11.744 1.00 1.83 H new ATOM 0 HB3 ASP A 163 3.164 -7.339 10.580 1.00 1.83 H new ATOM 674 N GLY A 164 5.151 -4.836 8.282 1.00 1.41 N ATOM 675 CA GLY A 164 6.170 -5.121 7.289 1.00 1.46 C ATOM 676 C GLY A 164 5.620 -5.847 6.078 1.00 1.29 C ATOM 677 O GLY A 164 6.191 -5.775 4.987 1.00 1.45 O ATOM 0 H GLY A 164 4.741 -3.904 8.218 1.00 1.41 H new ATOM 0 HA2 GLY A 164 6.631 -4.187 6.969 1.00 1.46 H new ATOM 0 HA3 GLY A 164 6.956 -5.725 7.744 1.00 1.46 H new ATOM 681 N GLU A 165 4.508 -6.547 6.260 1.00 1.10 N ATOM 682 CA GLU A 165 3.902 -7.293 5.171 1.00 1.01 C ATOM 683 C GLU A 165 3.078 -6.399 4.272 1.00 0.86 C ATOM 684 O GLU A 165 2.912 -5.205 4.529 1.00 0.92 O ATOM 685 CB GLU A 165 3.019 -8.421 5.686 1.00 1.13 C ATOM 686 CG GLU A 165 3.785 -9.615 6.199 1.00 1.48 C ATOM 687 CD GLU A 165 4.830 -10.111 5.219 1.00 1.70 C ATOM 688 OE1 GLU A 165 5.972 -9.617 5.270 1.00 2.17 O ATOM 689 OE2 GLU A 165 4.512 -10.989 4.390 1.00 2.21 O ATOM 0 H GLU A 165 4.011 -6.612 7.148 1.00 1.10 H new ATOM 0 HA GLU A 165 4.726 -7.717 4.597 1.00 1.01 H new ATOM 0 HB2 GLU A 165 2.387 -8.037 6.486 1.00 1.13 H new ATOM 0 HB3 GLU A 165 2.356 -8.745 4.884 1.00 1.13 H new ATOM 0 HG2 GLU A 165 4.271 -9.352 7.139 1.00 1.48 H new ATOM 0 HG3 GLU A 165 3.086 -10.423 6.417 1.00 1.48 H new ATOM 696 N LEU A 166 2.528 -7.011 3.244 1.00 0.77 N ATOM 697 CA LEU A 166 1.780 -6.298 2.224 1.00 0.65 C ATOM 698 C LEU A 166 0.705 -7.231 1.684 1.00 0.55 C ATOM 699 O LEU A 166 0.996 -8.379 1.348 1.00 0.63 O ATOM 700 CB LEU A 166 2.730 -5.834 1.103 1.00 0.71 C ATOM 701 CG LEU A 166 2.372 -4.506 0.416 1.00 0.86 C ATOM 702 CD1 LEU A 166 1.056 -4.619 -0.334 1.00 1.25 C ATOM 703 CD2 LEU A 166 2.313 -3.377 1.439 1.00 1.21 C ATOM 0 H LEU A 166 2.586 -8.018 3.090 1.00 0.77 H new ATOM 0 HA LEU A 166 1.309 -5.409 2.644 1.00 0.65 H new ATOM 0 HB2 LEU A 166 3.733 -5.745 1.519 1.00 0.71 H new ATOM 0 HB3 LEU A 166 2.769 -6.614 0.342 1.00 0.71 H new ATOM 0 HG LEU A 166 3.153 -4.276 -0.309 1.00 0.86 H new ATOM 0 HD11 LEU A 166 0.826 -3.666 -0.811 1.00 1.25 H new ATOM 0 HD12 LEU A 166 1.136 -5.395 -1.095 1.00 1.25 H new ATOM 0 HD13 LEU A 166 0.260 -4.877 0.365 1.00 1.25 H new ATOM 0 HD21 LEU A 166 2.058 -2.444 0.937 1.00 1.21 H new ATOM 0 HD22 LEU A 166 1.555 -3.604 2.188 1.00 1.21 H new ATOM 0 HD23 LEU A 166 3.284 -3.275 1.924 1.00 1.21 H new ATOM 715 N TYR A 167 -0.529 -6.751 1.641 1.00 0.46 N ATOM 716 CA TYR A 167 -1.670 -7.574 1.250 1.00 0.38 C ATOM 717 C TYR A 167 -2.552 -6.835 0.248 1.00 0.33 C ATOM 718 O TYR A 167 -2.393 -5.626 0.039 1.00 0.45 O ATOM 719 CB TYR A 167 -2.541 -7.899 2.464 1.00 0.46 C ATOM 720 CG TYR A 167 -1.827 -8.464 3.674 1.00 0.62 C ATOM 721 CD1 TYR A 167 -1.187 -7.630 4.578 1.00 0.79 C ATOM 722 CD2 TYR A 167 -1.761 -9.837 3.887 1.00 0.74 C ATOM 723 CE1 TYR A 167 -0.506 -8.145 5.664 1.00 0.97 C ATOM 724 CE2 TYR A 167 -1.075 -10.358 4.966 1.00 0.94 C ATOM 725 CZ TYR A 167 -0.584 -9.494 5.937 1.00 1.03 C ATOM 726 OH TYR A 167 0.242 -10.027 6.921 1.00 1.23 O ATOM 0 H TYR A 167 -0.770 -5.787 1.874 1.00 0.46 H new ATOM 0 HA TYR A 167 -1.270 -8.486 0.808 1.00 0.38 H new ATOM 0 HB2 TYR A 167 -3.058 -6.988 2.767 1.00 0.46 H new ATOM 0 HB3 TYR A 167 -3.305 -8.612 2.155 1.00 0.46 H new ATOM 0 HD1 TYR A 167 -1.221 -6.561 4.431 1.00 0.79 H new ATOM 0 HD2 TYR A 167 -2.254 -10.506 3.197 1.00 0.74 H new ATOM 0 HE1 TYR A 167 0.083 -7.496 6.294 1.00 0.97 H new ATOM 0 HE2 TYR A 167 -0.922 -11.423 5.054 1.00 0.94 H new ATOM 0 HH TYR A 167 0.075 -10.989 7.003 1.00 1.23 H new ATOM 736 N CYS A 168 -3.495 -7.566 -0.345 1.00 0.30 N ATOM 737 CA CYS A 168 -4.535 -6.961 -1.162 1.00 0.38 C ATOM 738 C CYS A 168 -5.749 -6.698 -0.272 1.00 0.45 C ATOM 739 O CYS A 168 -5.684 -6.874 0.943 1.00 0.47 O ATOM 740 CB CYS A 168 -4.972 -7.878 -2.317 1.00 0.46 C ATOM 741 SG CYS A 168 -3.665 -8.926 -3.038 1.00 0.52 S ATOM 0 H CYS A 168 -3.556 -8.582 -0.272 1.00 0.30 H new ATOM 0 HA CYS A 168 -4.137 -6.042 -1.592 1.00 0.38 H new ATOM 0 HB2 CYS A 168 -5.773 -8.524 -1.959 1.00 0.46 H new ATOM 0 HB3 CYS A 168 -5.392 -7.258 -3.109 1.00 0.46 H new ATOM 0 HG CYS A 168 -3.987 -10.178 -2.900 1.00 0.52 H new ATOM 746 N LYS A 169 -6.855 -6.295 -0.874 1.00 0.60 N ATOM 747 CA LYS A 169 -8.103 -6.131 -0.135 1.00 0.72 C ATOM 748 C LYS A 169 -8.655 -7.483 0.332 1.00 0.69 C ATOM 749 O LYS A 169 -9.098 -7.632 1.475 1.00 0.75 O ATOM 750 CB LYS A 169 -9.141 -5.425 -1.012 1.00 0.94 C ATOM 751 CG LYS A 169 -10.497 -5.244 -0.351 1.00 1.57 C ATOM 752 CD LYS A 169 -11.434 -4.434 -1.234 1.00 1.97 C ATOM 753 CE LYS A 169 -12.817 -4.300 -0.615 1.00 2.66 C ATOM 754 NZ LYS A 169 -13.538 -5.598 -0.571 1.00 3.12 N ATOM 0 H LYS A 169 -6.918 -6.075 -1.868 1.00 0.60 H new ATOM 0 HA LYS A 169 -7.895 -5.524 0.746 1.00 0.72 H new ATOM 0 HB2 LYS A 169 -8.754 -4.446 -1.296 1.00 0.94 H new ATOM 0 HB3 LYS A 169 -9.271 -5.995 -1.932 1.00 0.94 H new ATOM 0 HG2 LYS A 169 -10.938 -6.220 -0.146 1.00 1.57 H new ATOM 0 HG3 LYS A 169 -10.373 -4.743 0.609 1.00 1.57 H new ATOM 0 HD2 LYS A 169 -11.012 -3.443 -1.399 1.00 1.97 H new ATOM 0 HD3 LYS A 169 -11.517 -4.912 -2.210 1.00 1.97 H new ATOM 0 HE2 LYS A 169 -12.724 -3.903 0.396 1.00 2.66 H new ATOM 0 HE3 LYS A 169 -13.402 -3.580 -1.188 1.00 2.66 H new ATOM 0 HZ1 LYS A 169 -14.529 -5.435 -0.302 1.00 3.12 H new ATOM 0 HZ2 LYS A 169 -13.503 -6.047 -1.509 1.00 3.12 H new ATOM 0 HZ3 LYS A 169 -13.087 -6.222 0.129 1.00 3.12 H new ATOM 768 N VAL A 170 -8.601 -8.469 -0.557 1.00 0.70 N ATOM 769 CA VAL A 170 -9.286 -9.740 -0.342 1.00 0.77 C ATOM 770 C VAL A 170 -8.606 -10.595 0.727 1.00 0.69 C ATOM 771 O VAL A 170 -9.259 -11.081 1.651 1.00 0.78 O ATOM 772 CB VAL A 170 -9.360 -10.552 -1.655 1.00 0.88 C ATOM 773 CG1 VAL A 170 -10.146 -11.838 -1.449 1.00 1.02 C ATOM 774 CG2 VAL A 170 -9.976 -9.714 -2.767 1.00 1.02 C ATOM 0 H VAL A 170 -8.088 -8.413 -1.437 1.00 0.70 H new ATOM 0 HA VAL A 170 -10.290 -9.492 0.003 1.00 0.77 H new ATOM 0 HB VAL A 170 -8.346 -10.820 -1.951 1.00 0.88 H new ATOM 0 HG11 VAL A 170 -10.186 -12.394 -2.386 1.00 1.02 H new ATOM 0 HG12 VAL A 170 -9.657 -12.445 -0.687 1.00 1.02 H new ATOM 0 HG13 VAL A 170 -11.159 -11.598 -1.127 1.00 1.02 H new ATOM 0 HG21 VAL A 170 -10.020 -10.302 -3.684 1.00 1.02 H new ATOM 0 HG22 VAL A 170 -10.984 -9.413 -2.480 1.00 1.02 H new ATOM 0 HG23 VAL A 170 -9.366 -8.826 -2.934 1.00 1.02 H new ATOM 784 N CYS A 171 -7.296 -10.756 0.617 1.00 0.58 N ATOM 785 CA CYS A 171 -6.554 -11.612 1.529 1.00 0.59 C ATOM 786 C CYS A 171 -6.500 -10.995 2.920 1.00 0.57 C ATOM 787 O CYS A 171 -6.604 -11.694 3.924 1.00 0.66 O ATOM 788 CB CYS A 171 -5.153 -11.826 0.979 1.00 0.58 C ATOM 789 SG CYS A 171 -4.421 -10.294 0.345 1.00 0.80 S ATOM 0 H CYS A 171 -6.724 -10.304 -0.096 1.00 0.58 H new ATOM 0 HA CYS A 171 -7.058 -12.575 1.614 1.00 0.59 H new ATOM 0 HB2 CYS A 171 -4.515 -12.233 1.764 1.00 0.58 H new ATOM 0 HB3 CYS A 171 -5.188 -12.567 0.180 1.00 0.58 H new ATOM 0 HG CYS A 171 -4.409 -10.324 -0.955 1.00 0.80 H new ATOM 794 N TYR A 172 -6.339 -9.679 2.966 1.00 0.51 N ATOM 795 CA TYR A 172 -6.339 -8.941 4.219 1.00 0.59 C ATOM 796 C TYR A 172 -7.655 -9.138 4.972 1.00 0.67 C ATOM 797 O TYR A 172 -7.656 -9.340 6.186 1.00 0.76 O ATOM 798 CB TYR A 172 -6.065 -7.452 3.943 1.00 0.65 C ATOM 799 CG TYR A 172 -6.927 -6.475 4.721 1.00 0.89 C ATOM 800 CD1 TYR A 172 -6.690 -6.211 6.066 1.00 1.29 C ATOM 801 CD2 TYR A 172 -7.979 -5.811 4.099 1.00 1.24 C ATOM 802 CE1 TYR A 172 -7.477 -5.314 6.763 1.00 1.57 C ATOM 803 CE2 TYR A 172 -8.768 -4.913 4.791 1.00 1.45 C ATOM 804 CZ TYR A 172 -8.514 -4.669 6.122 1.00 1.48 C ATOM 805 OH TYR A 172 -9.300 -3.776 6.815 1.00 1.78 O ATOM 0 H TYR A 172 -6.205 -9.097 2.139 1.00 0.51 H new ATOM 0 HA TYR A 172 -5.544 -9.327 4.858 1.00 0.59 H new ATOM 0 HB2 TYR A 172 -5.019 -7.245 4.167 1.00 0.65 H new ATOM 0 HB3 TYR A 172 -6.205 -7.266 2.878 1.00 0.65 H new ATOM 0 HD1 TYR A 172 -5.880 -6.714 6.573 1.00 1.29 H new ATOM 0 HD2 TYR A 172 -8.183 -6.001 3.056 1.00 1.24 H new ATOM 0 HE1 TYR A 172 -7.281 -5.119 7.807 1.00 1.57 H new ATOM 0 HE2 TYR A 172 -9.579 -4.405 4.291 1.00 1.45 H new ATOM 0 HH TYR A 172 -9.984 -3.409 6.217 1.00 1.78 H new ATOM 815 N ALA A 173 -8.766 -9.099 4.249 1.00 0.72 N ATOM 816 CA ALA A 173 -10.078 -9.233 4.864 1.00 0.87 C ATOM 817 C ALA A 173 -10.362 -10.675 5.281 1.00 0.91 C ATOM 818 O ALA A 173 -11.163 -10.919 6.180 1.00 1.05 O ATOM 819 CB ALA A 173 -11.155 -8.728 3.920 1.00 1.05 C ATOM 0 H ALA A 173 -8.784 -8.976 3.237 1.00 0.72 H new ATOM 0 HA ALA A 173 -10.086 -8.624 5.768 1.00 0.87 H new ATOM 0 HB1 ALA A 173 -12.132 -8.834 4.392 1.00 1.05 H new ATOM 0 HB2 ALA A 173 -10.975 -7.678 3.691 1.00 1.05 H new ATOM 0 HB3 ALA A 173 -11.133 -9.309 2.998 1.00 1.05 H new ATOM 825 N LYS A 174 -9.723 -11.623 4.614 1.00 0.89 N ATOM 826 CA LYS A 174 -9.923 -13.038 4.918 1.00 1.06 C ATOM 827 C LYS A 174 -8.957 -13.520 6.005 1.00 1.08 C ATOM 828 O LYS A 174 -9.331 -14.305 6.877 1.00 1.27 O ATOM 829 CB LYS A 174 -9.779 -13.870 3.631 1.00 1.17 C ATOM 830 CG LYS A 174 -9.838 -15.385 3.829 1.00 1.67 C ATOM 831 CD LYS A 174 -11.013 -15.818 4.702 1.00 2.21 C ATOM 832 CE LYS A 174 -12.355 -15.363 4.153 1.00 2.63 C ATOM 833 NZ LYS A 174 -13.452 -15.648 5.113 1.00 3.36 N ATOM 0 H LYS A 174 -9.061 -11.442 3.859 1.00 0.89 H new ATOM 0 HA LYS A 174 -10.931 -13.171 5.310 1.00 1.06 H new ATOM 0 HB2 LYS A 174 -10.568 -13.579 2.938 1.00 1.17 H new ATOM 0 HB3 LYS A 174 -8.830 -13.618 3.158 1.00 1.17 H new ATOM 0 HG2 LYS A 174 -9.914 -15.872 2.857 1.00 1.67 H new ATOM 0 HG3 LYS A 174 -8.908 -15.725 4.284 1.00 1.67 H new ATOM 0 HD2 LYS A 174 -11.012 -16.904 4.792 1.00 2.21 H new ATOM 0 HD3 LYS A 174 -10.881 -15.415 5.706 1.00 2.21 H new ATOM 0 HE2 LYS A 174 -12.321 -14.294 3.942 1.00 2.63 H new ATOM 0 HE3 LYS A 174 -12.555 -15.868 3.208 1.00 2.63 H new ATOM 0 HZ1 LYS A 174 -14.356 -15.327 4.712 1.00 3.36 H new ATOM 0 HZ2 LYS A 174 -13.497 -16.671 5.294 1.00 3.36 H new ATOM 0 HZ3 LYS A 174 -13.271 -15.146 6.006 1.00 3.36 H new ATOM 847 N ASN A 175 -7.731 -13.033 5.962 1.00 1.04 N ATOM 848 CA ASN A 175 -6.688 -13.484 6.876 1.00 1.24 C ATOM 849 C ASN A 175 -6.593 -12.594 8.117 1.00 1.33 C ATOM 850 O ASN A 175 -6.763 -13.080 9.234 1.00 1.56 O ATOM 851 CB ASN A 175 -5.355 -13.516 6.132 1.00 1.47 C ATOM 852 CG ASN A 175 -4.191 -13.962 6.993 1.00 1.90 C ATOM 853 OD1 ASN A 175 -3.976 -15.154 7.200 1.00 2.65 O ATOM 854 ND2 ASN A 175 -3.392 -13.009 7.459 1.00 2.25 N ATOM 0 H ASN A 175 -7.427 -12.319 5.300 1.00 1.04 H new ATOM 0 HA ASN A 175 -6.941 -14.485 7.225 1.00 1.24 H new ATOM 0 HB2 ASN A 175 -5.442 -14.186 5.277 1.00 1.47 H new ATOM 0 HB3 ASN A 175 -5.145 -12.522 5.738 1.00 1.47 H new ATOM 0 HD21 ASN A 175 -2.569 -13.257 8.008 1.00 2.25 H new ATOM 0 HD22 ASN A 175 -3.601 -12.029 7.268 1.00 2.25 H new ATOM 861 N PHE A 176 -6.344 -11.292 7.901 1.00 1.30 N ATOM 862 CA PHE A 176 -6.179 -10.293 8.983 1.00 1.58 C ATOM 863 C PHE A 176 -5.482 -10.848 10.233 1.00 2.55 C ATOM 864 O PHE A 176 -5.894 -10.575 11.364 1.00 3.04 O ATOM 865 CB PHE A 176 -7.528 -9.647 9.359 1.00 1.55 C ATOM 866 CG PHE A 176 -8.625 -10.617 9.705 1.00 2.24 C ATOM 867 CD1 PHE A 176 -9.389 -11.188 8.706 1.00 2.85 C ATOM 868 CD2 PHE A 176 -8.889 -10.958 11.022 1.00 2.73 C ATOM 869 CE1 PHE A 176 -10.395 -12.079 9.007 1.00 3.93 C ATOM 870 CE2 PHE A 176 -9.899 -11.849 11.332 1.00 3.72 C ATOM 871 CZ PHE A 176 -10.652 -12.411 10.322 1.00 4.32 C ATOM 0 H PHE A 176 -6.250 -10.895 6.966 1.00 1.30 H new ATOM 0 HA PHE A 176 -5.519 -9.527 8.576 1.00 1.58 H new ATOM 0 HB2 PHE A 176 -7.371 -8.982 10.208 1.00 1.55 H new ATOM 0 HB3 PHE A 176 -7.861 -9.027 8.526 1.00 1.55 H new ATOM 0 HD1 PHE A 176 -9.195 -10.932 7.675 1.00 2.85 H new ATOM 0 HD2 PHE A 176 -8.299 -10.523 11.815 1.00 2.73 H new ATOM 0 HE1 PHE A 176 -10.983 -12.518 8.214 1.00 3.93 H new ATOM 0 HE2 PHE A 176 -10.098 -12.105 12.362 1.00 3.72 H new ATOM 0 HZ PHE A 176 -11.441 -13.109 10.560 1.00 4.32 H new