USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 858 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 99 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 137 ASN : amide:sc= -0.608 K(o=-0.61,f=-1.9!) USER MOD Set 2.1: A 41 GLN : amide:sc= -0.67 K(o=-0.92,f=-2.7) USER MOD Set 2.2: A 72 MET CE :methyl -176:sc= -0.253 (180deg=-0.304) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 14:sc= 0.741 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -160:sc= -0.0181 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0578 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -179:sc= -0.13 USER MOD Single : A 36 MET CE :methyl 175:sc= -0.44 (180deg=-0.446) USER MOD Single : A 38 SER OG : rot -95:sc= 0.808 USER MOD Single : A 42 ASN : amide:sc= 0.614 K(o=0.61,f=-0.26) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.412 USER MOD Single : A 49 GLN : amide:sc= -0.167 K(o=-0.17,f=-2.3!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 155:sc= -0.134 (180deg=-1.19) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.145 X(o=-0.14,f=-0.29) USER MOD Single : A 109 MET CE :methyl 179:sc= -2.68 (180deg=-2.71) USER MOD Single : A 110 THR OG1 : rot -62:sc= -0.9! USER MOD Single : A 111 ASN : amide:sc= -0.0663 X(o=-0.066,f=-0.0013) USER MOD Single : A 115 LYS NZ :NH3+ 151:sc= -0.178 (180deg=-1.07) USER MOD Single : A 117 THR OG1 : rot -76:sc= 0.52 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 138 TYR OH : rot -12:sc= 0.674 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl -152:sc= -1.45 (180deg=-4.69!) USER MOD Single : A 146 THR OG1 : rot 93:sc= 0.102 USER MOD ----------------------------------------------------------------- ATOM 105 N GLN A 8 14.068 2.358 -2.857 1.00 0.58 N ATOM 106 CA GLN A 8 12.752 2.661 -2.226 1.00 0.60 C ATOM 107 C GLN A 8 11.707 1.666 -2.736 1.00 0.59 C ATOM 108 O GLN A 8 10.844 1.228 -2.002 1.00 0.58 O ATOM 109 CB GLN A 8 12.326 4.091 -2.582 1.00 0.65 C ATOM 110 CG GLN A 8 13.101 5.089 -1.716 1.00 0.71 C ATOM 111 CD GLN A 8 12.796 6.514 -2.180 1.00 0.82 C ATOM 112 OE1 GLN A 8 12.646 6.760 -3.361 1.00 0.75 O ATOM 113 NE2 GLN A 8 12.697 7.468 -1.296 1.00 1.05 N ATOM 0 HA GLN A 8 12.837 2.575 -1.143 1.00 0.60 H new ATOM 0 HB2 GLN A 8 12.516 4.286 -3.637 1.00 0.65 H new ATOM 0 HB3 GLN A 8 11.254 4.212 -2.424 1.00 0.65 H new ATOM 0 HG2 GLN A 8 12.824 4.969 -0.669 1.00 0.71 H new ATOM 0 HG3 GLN A 8 14.171 4.894 -1.787 1.00 0.71 H new ATOM 0 HE21 GLN A 8 12.823 7.260 -0.305 1.00 1.05 H new ATOM 0 HE22 GLN A 8 12.494 8.422 -1.595 1.00 1.05 H new ATOM 122 N ILE A 9 11.782 1.297 -3.986 1.00 0.59 N ATOM 123 CA ILE A 9 10.795 0.321 -4.528 1.00 0.58 C ATOM 124 C ILE A 9 11.030 -1.038 -3.865 1.00 0.56 C ATOM 125 O ILE A 9 10.101 -1.766 -3.570 1.00 0.57 O ATOM 126 CB ILE A 9 10.970 0.198 -6.046 1.00 0.59 C ATOM 127 CG1 ILE A 9 10.508 1.496 -6.716 1.00 0.59 C ATOM 128 CG2 ILE A 9 10.128 -0.968 -6.572 1.00 0.57 C ATOM 129 CD1 ILE A 9 10.925 1.493 -8.188 1.00 0.63 C ATOM 0 H ILE A 9 12.480 1.627 -4.652 1.00 0.59 H new ATOM 0 HA ILE A 9 9.782 0.662 -4.317 1.00 0.58 H new ATOM 0 HB ILE A 9 12.020 0.017 -6.274 1.00 0.59 H new ATOM 0 HG12 ILE A 9 9.425 1.593 -6.635 1.00 0.59 H new ATOM 0 HG13 ILE A 9 10.944 2.355 -6.206 1.00 0.59 H new ATOM 0 HG21 ILE A 9 10.256 -1.051 -7.651 1.00 0.57 H new ATOM 0 HG22 ILE A 9 10.451 -1.894 -6.096 1.00 0.57 H new ATOM 0 HG23 ILE A 9 9.077 -0.790 -6.344 1.00 0.57 H new ATOM 0 HD11 ILE A 9 10.595 2.418 -8.662 1.00 0.63 H new ATOM 0 HD12 ILE A 9 12.010 1.416 -8.259 1.00 0.63 H new ATOM 0 HD13 ILE A 9 10.468 0.643 -8.694 1.00 0.63 H new ATOM 141 N ALA A 10 12.264 -1.383 -3.624 1.00 0.53 N ATOM 142 CA ALA A 10 12.557 -2.689 -2.977 1.00 0.52 C ATOM 143 C ALA A 10 11.982 -2.683 -1.556 1.00 0.42 C ATOM 144 O ALA A 10 11.379 -3.640 -1.121 1.00 0.32 O ATOM 145 CB ALA A 10 14.080 -2.914 -2.943 1.00 0.66 C ATOM 0 H ALA A 10 13.082 -0.816 -3.848 1.00 0.53 H new ATOM 0 HA ALA A 10 12.098 -3.500 -3.543 1.00 0.52 H new ATOM 0 HB1 ALA A 10 14.296 -3.871 -2.469 1.00 0.66 H new ATOM 0 HB2 ALA A 10 14.470 -2.917 -3.961 1.00 0.66 H new ATOM 0 HB3 ALA A 10 14.554 -2.113 -2.375 1.00 0.66 H new ATOM 151 N GLU A 11 12.153 -1.612 -0.827 1.00 0.47 N ATOM 152 CA GLU A 11 11.606 -1.563 0.556 1.00 0.43 C ATOM 153 C GLU A 11 10.093 -1.800 0.507 1.00 0.31 C ATOM 154 O GLU A 11 9.516 -2.359 1.417 1.00 0.49 O ATOM 155 CB GLU A 11 11.920 -0.174 1.169 1.00 0.53 C ATOM 156 CG GLU A 11 12.769 -0.331 2.433 1.00 0.90 C ATOM 157 CD GLU A 11 12.935 1.029 3.110 1.00 0.82 C ATOM 158 OE1 GLU A 11 12.968 2.022 2.400 1.00 0.94 O ATOM 159 OE2 GLU A 11 13.026 1.057 4.326 1.00 1.81 O ATOM 0 H GLU A 11 12.647 -0.772 -1.130 1.00 0.47 H new ATOM 0 HA GLU A 11 12.062 -2.337 1.174 1.00 0.43 H new ATOM 0 HB2 GLU A 11 12.449 0.441 0.441 1.00 0.53 H new ATOM 0 HB3 GLU A 11 10.991 0.344 1.408 1.00 0.53 H new ATOM 0 HG2 GLU A 11 12.294 -1.034 3.117 1.00 0.90 H new ATOM 0 HG3 GLU A 11 13.745 -0.744 2.179 1.00 0.90 H new ATOM 166 N PHE A 12 9.451 -1.376 -0.542 1.00 0.13 N ATOM 167 CA PHE A 12 7.981 -1.585 -0.636 1.00 0.13 C ATOM 168 C PHE A 12 7.708 -3.028 -1.054 1.00 0.16 C ATOM 169 O PHE A 12 6.766 -3.645 -0.600 1.00 0.19 O ATOM 170 CB PHE A 12 7.383 -0.634 -1.678 1.00 0.20 C ATOM 171 CG PHE A 12 7.657 0.837 -1.365 1.00 0.14 C ATOM 172 CD1 PHE A 12 8.275 1.264 -0.161 1.00 0.35 C ATOM 173 CD2 PHE A 12 7.271 1.796 -2.314 1.00 0.53 C ATOM 174 CE1 PHE A 12 8.491 2.630 0.063 1.00 0.39 C ATOM 175 CE2 PHE A 12 7.490 3.156 -2.079 1.00 0.70 C ATOM 176 CZ PHE A 12 8.098 3.573 -0.893 1.00 0.51 C ATOM 0 H PHE A 12 9.877 -0.896 -1.335 1.00 0.13 H new ATOM 0 HA PHE A 12 7.525 -1.385 0.334 1.00 0.13 H new ATOM 0 HB2 PHE A 12 7.792 -0.874 -2.659 1.00 0.20 H new ATOM 0 HB3 PHE A 12 6.306 -0.794 -1.734 1.00 0.20 H new ATOM 0 HD1 PHE A 12 8.578 0.539 0.580 1.00 0.35 H new ATOM 0 HD2 PHE A 12 6.801 1.480 -3.234 1.00 0.53 H new ATOM 0 HE1 PHE A 12 8.963 2.957 0.978 1.00 0.39 H new ATOM 0 HE2 PHE A 12 7.189 3.886 -2.816 1.00 0.70 H new ATOM 0 HZ PHE A 12 8.265 4.625 -0.713 1.00 0.51 H new ATOM 186 N LYS A 13 8.522 -3.576 -1.916 1.00 0.15 N ATOM 187 CA LYS A 13 8.297 -4.980 -2.350 1.00 0.20 C ATOM 188 C LYS A 13 8.445 -5.911 -1.145 1.00 0.20 C ATOM 189 O LYS A 13 7.713 -6.871 -1.002 1.00 0.35 O ATOM 190 CB LYS A 13 9.317 -5.357 -3.433 1.00 0.21 C ATOM 191 CG LYS A 13 9.205 -6.869 -3.779 1.00 0.37 C ATOM 192 CD LYS A 13 9.283 -7.080 -5.304 1.00 0.21 C ATOM 193 CE LYS A 13 7.904 -6.837 -5.946 1.00 0.35 C ATOM 194 NZ LYS A 13 7.119 -8.104 -5.928 1.00 1.81 N ATOM 0 H LYS A 13 9.328 -3.113 -2.335 1.00 0.15 H new ATOM 0 HA LYS A 13 7.293 -5.079 -2.761 1.00 0.20 H new ATOM 0 HB2 LYS A 13 9.145 -4.759 -4.328 1.00 0.21 H new ATOM 0 HB3 LYS A 13 10.325 -5.130 -3.087 1.00 0.21 H new ATOM 0 HG2 LYS A 13 10.006 -7.421 -3.288 1.00 0.37 H new ATOM 0 HG3 LYS A 13 8.264 -7.267 -3.398 1.00 0.37 H new ATOM 0 HD2 LYS A 13 10.018 -6.400 -5.735 1.00 0.21 H new ATOM 0 HD3 LYS A 13 9.620 -8.094 -5.521 1.00 0.21 H new ATOM 0 HE2 LYS A 13 7.370 -6.058 -5.402 1.00 0.35 H new ATOM 0 HE3 LYS A 13 8.025 -6.486 -6.971 1.00 0.35 H new ATOM 0 HZ1 LYS A 13 6.188 -7.941 -6.361 1.00 1.81 H new ATOM 0 HZ2 LYS A 13 7.628 -8.835 -6.465 1.00 1.81 H new ATOM 0 HZ3 LYS A 13 6.993 -8.421 -4.945 1.00 1.81 H new ATOM 208 N GLU A 14 9.373 -5.633 -0.265 1.00 0.08 N ATOM 209 CA GLU A 14 9.534 -6.511 0.931 1.00 0.09 C ATOM 210 C GLU A 14 8.332 -6.307 1.840 1.00 0.05 C ATOM 211 O GLU A 14 7.682 -7.240 2.266 1.00 0.05 O ATOM 212 CB GLU A 14 10.797 -6.126 1.707 1.00 0.13 C ATOM 213 CG GLU A 14 12.012 -6.156 0.780 1.00 0.18 C ATOM 214 CD GLU A 14 12.467 -7.601 0.564 1.00 1.00 C ATOM 215 OE1 GLU A 14 11.728 -8.497 0.941 1.00 2.15 O ATOM 216 OE2 GLU A 14 13.546 -7.788 0.026 1.00 1.22 O ATOM 0 H GLU A 14 10.019 -4.845 -0.322 1.00 0.08 H new ATOM 0 HA GLU A 14 9.612 -7.549 0.608 1.00 0.09 H new ATOM 0 HB2 GLU A 14 10.681 -5.130 2.135 1.00 0.13 H new ATOM 0 HB3 GLU A 14 10.947 -6.815 2.538 1.00 0.13 H new ATOM 0 HG2 GLU A 14 11.762 -5.698 -0.177 1.00 0.18 H new ATOM 0 HG3 GLU A 14 12.824 -5.571 1.211 1.00 0.18 H new ATOM 223 N ALA A 15 8.040 -5.077 2.140 1.00 0.06 N ATOM 224 CA ALA A 15 6.886 -4.773 3.028 1.00 0.03 C ATOM 225 C ALA A 15 5.593 -5.310 2.406 1.00 0.08 C ATOM 226 O ALA A 15 4.659 -5.659 3.099 1.00 0.09 O ATOM 227 CB ALA A 15 6.771 -3.258 3.212 1.00 0.05 C ATOM 0 H ALA A 15 8.554 -4.262 1.806 1.00 0.06 H new ATOM 0 HA ALA A 15 7.043 -5.250 3.996 1.00 0.03 H new ATOM 0 HB1 ALA A 15 5.926 -3.034 3.863 1.00 0.05 H new ATOM 0 HB2 ALA A 15 7.687 -2.876 3.662 1.00 0.05 H new ATOM 0 HB3 ALA A 15 6.618 -2.784 2.242 1.00 0.05 H new ATOM 233 N PHE A 16 5.528 -5.365 1.105 1.00 0.11 N ATOM 234 CA PHE A 16 4.291 -5.866 0.438 1.00 0.15 C ATOM 235 C PHE A 16 4.203 -7.391 0.551 1.00 0.15 C ATOM 236 O PHE A 16 3.141 -7.946 0.757 1.00 0.16 O ATOM 237 CB PHE A 16 4.326 -5.470 -1.035 1.00 0.19 C ATOM 238 CG PHE A 16 2.962 -5.658 -1.647 1.00 0.20 C ATOM 239 CD1 PHE A 16 2.020 -4.622 -1.586 1.00 0.20 C ATOM 240 CD2 PHE A 16 2.643 -6.858 -2.292 1.00 0.20 C ATOM 241 CE1 PHE A 16 0.760 -4.790 -2.164 1.00 0.21 C ATOM 242 CE2 PHE A 16 1.382 -7.026 -2.874 1.00 0.21 C ATOM 243 CZ PHE A 16 0.441 -5.989 -2.811 1.00 0.22 C ATOM 0 H PHE A 16 6.278 -5.085 0.473 1.00 0.11 H new ATOM 0 HA PHE A 16 3.420 -5.427 0.925 1.00 0.15 H new ATOM 0 HB2 PHE A 16 4.639 -4.431 -1.134 1.00 0.19 H new ATOM 0 HB3 PHE A 16 5.060 -6.076 -1.567 1.00 0.19 H new ATOM 0 HD1 PHE A 16 2.269 -3.694 -1.092 1.00 0.20 H new ATOM 0 HD2 PHE A 16 3.370 -7.655 -2.341 1.00 0.20 H new ATOM 0 HE1 PHE A 16 0.032 -3.994 -2.112 1.00 0.21 H new ATOM 0 HE2 PHE A 16 1.134 -7.952 -3.371 1.00 0.21 H new ATOM 0 HZ PHE A 16 -0.532 -6.116 -3.263 1.00 0.22 H new ATOM 253 N SER A 17 5.302 -8.073 0.402 1.00 0.19 N ATOM 254 CA SER A 17 5.276 -9.562 0.484 1.00 0.22 C ATOM 255 C SER A 17 5.006 -10.007 1.927 1.00 0.17 C ATOM 256 O SER A 17 4.424 -11.044 2.164 1.00 0.15 O ATOM 257 CB SER A 17 6.628 -10.114 0.029 1.00 0.30 C ATOM 258 OG SER A 17 7.669 -9.342 0.612 1.00 0.99 O ATOM 0 H SER A 17 6.220 -7.665 0.227 1.00 0.19 H new ATOM 0 HA SER A 17 4.483 -9.942 -0.160 1.00 0.22 H new ATOM 0 HB2 SER A 17 6.725 -11.159 0.324 1.00 0.30 H new ATOM 0 HB3 SER A 17 6.700 -10.081 -1.058 1.00 0.30 H new ATOM 0 HG SER A 17 7.303 -8.793 1.336 1.00 0.99 H new ATOM 264 N LEU A 18 5.438 -9.239 2.887 1.00 0.18 N ATOM 265 CA LEU A 18 5.218 -9.634 4.309 1.00 0.15 C ATOM 266 C LEU A 18 3.738 -9.959 4.555 1.00 0.12 C ATOM 267 O LEU A 18 3.411 -10.671 5.484 1.00 0.12 O ATOM 268 CB LEU A 18 5.638 -8.475 5.235 1.00 0.14 C ATOM 269 CG LEU A 18 7.161 -8.490 5.483 1.00 0.07 C ATOM 270 CD1 LEU A 18 7.553 -7.253 6.315 1.00 0.11 C ATOM 271 CD2 LEU A 18 7.573 -9.773 6.242 1.00 0.11 C ATOM 0 H LEU A 18 5.933 -8.357 2.751 1.00 0.18 H new ATOM 0 HA LEU A 18 5.817 -10.520 4.520 1.00 0.15 H new ATOM 0 HB2 LEU A 18 5.348 -7.524 4.788 1.00 0.14 H new ATOM 0 HB3 LEU A 18 5.110 -8.554 6.185 1.00 0.14 H new ATOM 0 HG LEU A 18 7.676 -8.471 4.522 1.00 0.07 H new ATOM 0 HD11 LEU A 18 8.628 -7.260 6.493 1.00 0.11 H new ATOM 0 HD12 LEU A 18 7.281 -6.348 5.772 1.00 0.11 H new ATOM 0 HD13 LEU A 18 7.028 -7.275 7.270 1.00 0.11 H new ATOM 0 HD21 LEU A 18 8.650 -9.767 6.408 1.00 0.11 H new ATOM 0 HD22 LEU A 18 7.058 -9.809 7.202 1.00 0.11 H new ATOM 0 HD23 LEU A 18 7.302 -10.648 5.651 1.00 0.11 H new ATOM 283 N PHE A 19 2.843 -9.423 3.760 1.00 0.10 N ATOM 284 CA PHE A 19 1.377 -9.679 3.982 1.00 0.08 C ATOM 285 C PHE A 19 0.722 -10.272 2.732 1.00 0.09 C ATOM 286 O PHE A 19 -0.456 -10.088 2.495 1.00 0.21 O ATOM 287 CB PHE A 19 0.711 -8.356 4.342 1.00 0.13 C ATOM 288 CG PHE A 19 1.434 -7.775 5.528 1.00 0.14 C ATOM 289 CD1 PHE A 19 2.596 -7.018 5.337 1.00 0.09 C ATOM 290 CD2 PHE A 19 0.953 -8.007 6.820 1.00 0.22 C ATOM 291 CE1 PHE A 19 3.276 -6.491 6.440 1.00 0.13 C ATOM 292 CE2 PHE A 19 1.632 -7.480 7.923 1.00 0.27 C ATOM 293 CZ PHE A 19 2.794 -6.722 7.734 1.00 0.23 C ATOM 0 H PHE A 19 3.060 -8.819 2.967 1.00 0.10 H new ATOM 0 HA PHE A 19 1.256 -10.401 4.790 1.00 0.08 H new ATOM 0 HB2 PHE A 19 0.751 -7.668 3.498 1.00 0.13 H new ATOM 0 HB3 PHE A 19 -0.342 -8.512 4.577 1.00 0.13 H new ATOM 0 HD1 PHE A 19 2.967 -6.841 4.338 1.00 0.09 H new ATOM 0 HD2 PHE A 19 0.058 -8.593 6.966 1.00 0.22 H new ATOM 0 HE1 PHE A 19 4.172 -5.906 6.294 1.00 0.13 H new ATOM 0 HE2 PHE A 19 1.260 -7.658 8.921 1.00 0.27 H new ATOM 0 HZ PHE A 19 3.318 -6.316 8.586 1.00 0.23 H new ATOM 303 N ASP A 20 1.465 -11.006 1.948 1.00 0.17 N ATOM 304 CA ASP A 20 0.885 -11.641 0.725 1.00 0.17 C ATOM 305 C ASP A 20 0.580 -13.112 1.041 1.00 0.37 C ATOM 306 O ASP A 20 1.245 -14.012 0.565 1.00 0.49 O ATOM 307 CB ASP A 20 1.899 -11.567 -0.417 1.00 0.27 C ATOM 308 CG ASP A 20 1.339 -12.287 -1.645 1.00 0.27 C ATOM 309 OD1 ASP A 20 0.128 -12.417 -1.730 1.00 1.17 O ATOM 310 OD2 ASP A 20 2.129 -12.697 -2.478 1.00 1.02 O ATOM 0 H ASP A 20 2.455 -11.195 2.102 1.00 0.17 H new ATOM 0 HA ASP A 20 -0.027 -11.122 0.429 1.00 0.17 H new ATOM 0 HB2 ASP A 20 2.114 -10.526 -0.659 1.00 0.27 H new ATOM 0 HB3 ASP A 20 2.840 -12.024 -0.112 1.00 0.27 H new ATOM 315 N LYS A 21 -0.402 -13.358 1.868 1.00 0.47 N ATOM 316 CA LYS A 21 -0.738 -14.765 2.251 1.00 0.68 C ATOM 317 C LYS A 21 -1.373 -15.516 1.084 1.00 0.62 C ATOM 318 O LYS A 21 -1.692 -16.684 1.185 1.00 0.75 O ATOM 319 CB LYS A 21 -1.723 -14.748 3.418 1.00 0.88 C ATOM 320 CG LYS A 21 -1.087 -14.066 4.636 1.00 0.89 C ATOM 321 CD LYS A 21 -0.096 -15.015 5.327 1.00 1.06 C ATOM 322 CE LYS A 21 0.209 -14.497 6.734 1.00 1.24 C ATOM 323 NZ LYS A 21 1.407 -15.198 7.274 1.00 0.61 N ATOM 0 H LYS A 21 -0.989 -12.643 2.297 1.00 0.47 H new ATOM 0 HA LYS A 21 0.185 -15.272 2.534 1.00 0.68 H new ATOM 0 HB2 LYS A 21 -2.632 -14.220 3.129 1.00 0.88 H new ATOM 0 HB3 LYS A 21 -2.014 -15.767 3.673 1.00 0.88 H new ATOM 0 HG2 LYS A 21 -0.572 -13.157 4.324 1.00 0.89 H new ATOM 0 HG3 LYS A 21 -1.864 -13.767 5.340 1.00 0.89 H new ATOM 0 HD2 LYS A 21 -0.515 -16.020 5.381 1.00 1.06 H new ATOM 0 HD3 LYS A 21 0.824 -15.084 4.746 1.00 1.06 H new ATOM 0 HE2 LYS A 21 0.386 -13.422 6.707 1.00 1.24 H new ATOM 0 HE3 LYS A 21 -0.648 -14.663 7.387 1.00 1.24 H new ATOM 0 HZ1 LYS A 21 1.614 -14.845 8.230 1.00 0.61 H new ATOM 0 HZ2 LYS A 21 1.222 -16.221 7.314 1.00 0.61 H new ATOM 0 HZ3 LYS A 21 2.223 -15.018 6.655 1.00 0.61 H new ATOM 337 N ASP A 22 -1.564 -14.857 -0.013 1.00 0.45 N ATOM 338 CA ASP A 22 -2.188 -15.519 -1.202 1.00 0.39 C ATOM 339 C ASP A 22 -1.100 -15.935 -2.196 1.00 0.27 C ATOM 340 O ASP A 22 -1.385 -16.489 -3.237 1.00 0.20 O ATOM 341 CB ASP A 22 -3.142 -14.536 -1.882 1.00 0.38 C ATOM 342 CG ASP A 22 -4.055 -13.902 -0.833 1.00 0.69 C ATOM 343 OD1 ASP A 22 -5.041 -14.526 -0.476 1.00 0.74 O ATOM 344 OD2 ASP A 22 -3.755 -12.799 -0.401 1.00 1.96 O ATOM 0 H ASP A 22 -1.315 -13.877 -0.149 1.00 0.45 H new ATOM 0 HA ASP A 22 -2.736 -16.403 -0.876 1.00 0.39 H new ATOM 0 HB2 ASP A 22 -2.575 -13.763 -2.401 1.00 0.38 H new ATOM 0 HB3 ASP A 22 -3.738 -15.053 -2.634 1.00 0.38 H new ATOM 349 N GLY A 23 0.143 -15.673 -1.889 1.00 0.33 N ATOM 350 CA GLY A 23 1.240 -16.057 -2.822 1.00 0.40 C ATOM 351 C GLY A 23 0.885 -15.596 -4.233 1.00 0.33 C ATOM 352 O GLY A 23 1.476 -16.019 -5.206 1.00 0.45 O ATOM 0 H GLY A 23 0.445 -15.210 -1.032 1.00 0.33 H new ATOM 0 HA2 GLY A 23 2.179 -15.604 -2.504 1.00 0.40 H new ATOM 0 HA3 GLY A 23 1.386 -17.137 -2.806 1.00 0.40 H new ATOM 356 N ASP A 24 -0.087 -14.731 -4.346 1.00 0.21 N ATOM 357 CA ASP A 24 -0.510 -14.229 -5.689 1.00 0.31 C ATOM 358 C ASP A 24 0.102 -12.848 -5.933 1.00 0.32 C ATOM 359 O ASP A 24 -0.162 -12.213 -6.934 1.00 0.39 O ATOM 360 CB ASP A 24 -2.037 -14.124 -5.729 1.00 0.36 C ATOM 361 CG ASP A 24 -2.505 -13.976 -7.178 1.00 0.61 C ATOM 362 OD1 ASP A 24 -2.657 -14.993 -7.834 1.00 1.67 O ATOM 363 OD2 ASP A 24 -2.703 -12.851 -7.604 1.00 0.62 O ATOM 0 H ASP A 24 -0.611 -14.347 -3.560 1.00 0.21 H new ATOM 0 HA ASP A 24 -0.169 -14.918 -6.462 1.00 0.31 H new ATOM 0 HB2 ASP A 24 -2.484 -15.011 -5.281 1.00 0.36 H new ATOM 0 HB3 ASP A 24 -2.368 -13.268 -5.140 1.00 0.36 H new ATOM 368 N GLY A 25 0.917 -12.376 -5.028 1.00 0.28 N ATOM 369 CA GLY A 25 1.535 -11.035 -5.220 1.00 0.28 C ATOM 370 C GLY A 25 0.500 -9.946 -4.908 1.00 0.27 C ATOM 371 O GLY A 25 0.532 -8.875 -5.481 1.00 0.28 O ATOM 0 H GLY A 25 1.180 -12.859 -4.169 1.00 0.28 H new ATOM 0 HA2 GLY A 25 2.402 -10.925 -4.568 1.00 0.28 H new ATOM 0 HA3 GLY A 25 1.891 -10.930 -6.245 1.00 0.28 H new ATOM 375 N THR A 26 -0.430 -10.205 -4.007 1.00 0.26 N ATOM 376 CA THR A 26 -1.465 -9.178 -3.669 1.00 0.25 C ATOM 377 C THR A 26 -1.728 -9.176 -2.160 1.00 0.21 C ATOM 378 O THR A 26 -1.340 -10.082 -1.449 1.00 0.20 O ATOM 379 CB THR A 26 -2.770 -9.503 -4.400 1.00 0.28 C ATOM 380 OG1 THR A 26 -3.291 -10.730 -3.909 1.00 0.29 O ATOM 381 CG2 THR A 26 -2.509 -9.621 -5.901 1.00 0.31 C ATOM 0 H THR A 26 -0.512 -11.084 -3.495 1.00 0.26 H new ATOM 0 HA THR A 26 -1.101 -8.198 -3.977 1.00 0.25 H new ATOM 0 HB THR A 26 -3.490 -8.704 -4.225 1.00 0.28 H new ATOM 0 HG1 THR A 26 -4.128 -10.940 -4.374 1.00 0.29 H new ATOM 0 HG21 THR A 26 -3.442 -9.852 -6.415 1.00 0.31 H new ATOM 0 HG22 THR A 26 -2.112 -8.678 -6.276 1.00 0.31 H new ATOM 0 HG23 THR A 26 -1.787 -10.417 -6.083 1.00 0.31 H new ATOM 389 N ILE A 27 -2.400 -8.164 -1.672 1.00 0.20 N ATOM 390 CA ILE A 27 -2.718 -8.082 -0.212 1.00 0.17 C ATOM 391 C ILE A 27 -4.141 -7.543 -0.055 1.00 0.17 C ATOM 392 O ILE A 27 -4.702 -6.983 -0.977 1.00 0.18 O ATOM 393 CB ILE A 27 -1.728 -7.144 0.488 1.00 0.17 C ATOM 394 CG1 ILE A 27 -1.808 -5.742 -0.133 1.00 0.19 C ATOM 395 CG2 ILE A 27 -0.307 -7.694 0.330 1.00 0.18 C ATOM 396 CD1 ILE A 27 -0.805 -4.812 0.556 1.00 0.26 C ATOM 0 H ILE A 27 -2.746 -7.382 -2.228 1.00 0.20 H new ATOM 0 HA ILE A 27 -2.640 -9.071 0.241 1.00 0.17 H new ATOM 0 HB ILE A 27 -1.980 -7.080 1.547 1.00 0.17 H new ATOM 0 HG12 ILE A 27 -1.595 -5.794 -1.201 1.00 0.19 H new ATOM 0 HG13 ILE A 27 -2.818 -5.345 -0.028 1.00 0.19 H new ATOM 0 HG21 ILE A 27 0.398 -7.028 0.827 1.00 0.18 H new ATOM 0 HG22 ILE A 27 -0.249 -8.685 0.779 1.00 0.18 H new ATOM 0 HG23 ILE A 27 -0.058 -7.760 -0.729 1.00 0.18 H new ATOM 0 HD11 ILE A 27 -0.866 -3.818 0.112 1.00 0.26 H new ATOM 0 HD12 ILE A 27 -1.038 -4.749 1.619 1.00 0.26 H new ATOM 0 HD13 ILE A 27 0.203 -5.206 0.428 1.00 0.26 H new ATOM 408 N THR A 28 -4.738 -7.702 1.096 1.00 0.15 N ATOM 409 CA THR A 28 -6.128 -7.194 1.286 1.00 0.15 C ATOM 410 C THR A 28 -6.101 -5.764 1.817 1.00 0.14 C ATOM 411 O THR A 28 -5.084 -5.268 2.263 1.00 0.14 O ATOM 412 CB THR A 28 -6.863 -8.063 2.300 1.00 0.15 C ATOM 413 OG1 THR A 28 -6.570 -7.605 3.615 1.00 0.15 O ATOM 414 CG2 THR A 28 -6.415 -9.514 2.156 1.00 0.15 C ATOM 0 H THR A 28 -4.326 -8.159 1.909 1.00 0.15 H new ATOM 0 HA THR A 28 -6.636 -7.223 0.322 1.00 0.15 H new ATOM 0 HB THR A 28 -7.936 -7.998 2.120 1.00 0.15 H new ATOM 0 HG1 THR A 28 -6.763 -8.317 4.260 1.00 0.15 H new ATOM 0 HG21 THR A 28 -6.943 -10.132 2.883 1.00 0.15 H new ATOM 0 HG22 THR A 28 -6.640 -9.866 1.149 1.00 0.15 H new ATOM 0 HG23 THR A 28 -5.342 -9.583 2.333 1.00 0.15 H new ATOM 422 N THR A 29 -7.227 -5.107 1.790 1.00 0.14 N ATOM 423 CA THR A 29 -7.297 -3.718 2.308 1.00 0.13 C ATOM 424 C THR A 29 -7.120 -3.743 3.829 1.00 0.14 C ATOM 425 O THR A 29 -6.624 -2.806 4.423 1.00 0.13 O ATOM 426 CB THR A 29 -8.671 -3.132 1.963 1.00 0.13 C ATOM 427 OG1 THR A 29 -9.663 -4.135 2.128 1.00 0.19 O ATOM 428 CG2 THR A 29 -8.683 -2.645 0.513 1.00 0.12 C ATOM 0 H THR A 29 -8.106 -5.478 1.428 1.00 0.14 H new ATOM 0 HA THR A 29 -6.512 -3.108 1.860 1.00 0.13 H new ATOM 0 HB THR A 29 -8.878 -2.291 2.625 1.00 0.13 H new ATOM 0 HG1 THR A 29 -10.543 -3.764 1.910 1.00 0.19 H new ATOM 0 HG21 THR A 29 -9.663 -2.230 0.277 1.00 0.12 H new ATOM 0 HG22 THR A 29 -7.922 -1.876 0.381 1.00 0.12 H new ATOM 0 HG23 THR A 29 -8.473 -3.481 -0.153 1.00 0.12 H new ATOM 436 N LYS A 30 -7.528 -4.809 4.463 1.00 0.16 N ATOM 437 CA LYS A 30 -7.393 -4.895 5.942 1.00 0.17 C ATOM 438 C LYS A 30 -5.918 -4.833 6.334 1.00 0.15 C ATOM 439 O LYS A 30 -5.575 -4.403 7.418 1.00 0.14 O ATOM 440 CB LYS A 30 -8.000 -6.213 6.432 1.00 0.21 C ATOM 441 CG LYS A 30 -9.523 -6.162 6.278 1.00 0.19 C ATOM 442 CD LYS A 30 -10.095 -7.580 6.373 1.00 0.77 C ATOM 443 CE LYS A 30 -9.608 -8.251 7.662 1.00 2.17 C ATOM 444 NZ LYS A 30 -10.491 -9.409 7.979 1.00 2.54 N ATOM 0 H LYS A 30 -7.949 -5.624 4.018 1.00 0.16 H new ATOM 0 HA LYS A 30 -7.919 -4.058 6.401 1.00 0.17 H new ATOM 0 HB2 LYS A 30 -7.594 -7.048 5.861 1.00 0.21 H new ATOM 0 HB3 LYS A 30 -7.735 -6.382 7.476 1.00 0.21 H new ATOM 0 HG2 LYS A 30 -9.956 -5.531 7.054 1.00 0.19 H new ATOM 0 HG3 LYS A 30 -9.787 -5.715 5.319 1.00 0.19 H new ATOM 0 HD2 LYS A 30 -11.184 -7.544 6.360 1.00 0.77 H new ATOM 0 HD3 LYS A 30 -9.785 -8.166 5.508 1.00 0.77 H new ATOM 0 HE2 LYS A 30 -8.578 -8.586 7.544 1.00 2.17 H new ATOM 0 HE3 LYS A 30 -9.618 -7.535 8.484 1.00 2.17 H new ATOM 0 HZ1 LYS A 30 -10.163 -9.867 8.853 1.00 2.54 H new ATOM 0 HZ2 LYS A 30 -11.468 -9.076 8.108 1.00 2.54 H new ATOM 0 HZ3 LYS A 30 -10.459 -10.094 7.197 1.00 2.54 H new ATOM 458 N GLU A 31 -5.043 -5.265 5.467 1.00 0.15 N ATOM 459 CA GLU A 31 -3.579 -5.237 5.796 1.00 0.14 C ATOM 460 C GLU A 31 -2.914 -4.022 5.141 1.00 0.12 C ATOM 461 O GLU A 31 -1.721 -3.831 5.251 1.00 0.11 O ATOM 462 CB GLU A 31 -2.912 -6.508 5.266 1.00 0.15 C ATOM 463 CG GLU A 31 -3.621 -7.740 5.831 1.00 0.19 C ATOM 464 CD GLU A 31 -3.155 -8.987 5.078 1.00 0.18 C ATOM 465 OE1 GLU A 31 -3.302 -9.014 3.867 1.00 0.12 O ATOM 466 OE2 GLU A 31 -2.658 -9.894 5.725 1.00 0.30 O ATOM 0 H GLU A 31 -5.273 -5.636 4.545 1.00 0.15 H new ATOM 0 HA GLU A 31 -3.464 -5.176 6.878 1.00 0.14 H new ATOM 0 HB2 GLU A 31 -2.950 -6.523 4.177 1.00 0.15 H new ATOM 0 HB3 GLU A 31 -1.859 -6.522 5.548 1.00 0.15 H new ATOM 0 HG2 GLU A 31 -3.404 -7.842 6.894 1.00 0.19 H new ATOM 0 HG3 GLU A 31 -4.701 -7.627 5.736 1.00 0.19 H new ATOM 473 N LEU A 32 -3.664 -3.206 4.457 1.00 0.26 N ATOM 474 CA LEU A 32 -3.051 -2.021 3.791 1.00 0.28 C ATOM 475 C LEU A 32 -2.344 -1.144 4.830 1.00 0.31 C ATOM 476 O LEU A 32 -1.186 -0.809 4.681 1.00 0.36 O ATOM 477 CB LEU A 32 -4.144 -1.215 3.075 1.00 0.25 C ATOM 478 CG LEU A 32 -3.575 0.106 2.537 1.00 0.24 C ATOM 479 CD1 LEU A 32 -2.337 -0.166 1.672 1.00 0.26 C ATOM 480 CD2 LEU A 32 -4.644 0.806 1.691 1.00 0.22 C ATOM 0 H LEU A 32 -4.671 -3.306 4.329 1.00 0.26 H new ATOM 0 HA LEU A 32 -2.316 -2.357 3.060 1.00 0.28 H new ATOM 0 HB2 LEU A 32 -4.557 -1.801 2.254 1.00 0.25 H new ATOM 0 HB3 LEU A 32 -4.963 -1.011 3.764 1.00 0.25 H new ATOM 0 HG LEU A 32 -3.289 0.742 3.375 1.00 0.24 H new ATOM 0 HD11 LEU A 32 -1.942 0.777 1.296 1.00 0.26 H new ATOM 0 HD12 LEU A 32 -1.576 -0.665 2.272 1.00 0.26 H new ATOM 0 HD13 LEU A 32 -2.613 -0.804 0.833 1.00 0.26 H new ATOM 0 HD21 LEU A 32 -4.246 1.745 1.306 1.00 0.22 H new ATOM 0 HD22 LEU A 32 -4.927 0.163 0.858 1.00 0.22 H new ATOM 0 HD23 LEU A 32 -5.520 1.009 2.307 1.00 0.22 H new ATOM 492 N GLY A 33 -3.023 -0.764 5.877 1.00 0.30 N ATOM 493 CA GLY A 33 -2.370 0.094 6.906 1.00 0.36 C ATOM 494 C GLY A 33 -1.210 -0.664 7.546 1.00 0.39 C ATOM 495 O GLY A 33 -0.267 -0.076 8.035 1.00 0.44 O ATOM 0 H GLY A 33 -3.995 -1.008 6.064 1.00 0.30 H new ATOM 0 HA2 GLY A 33 -2.007 1.015 6.449 1.00 0.36 H new ATOM 0 HA3 GLY A 33 -3.095 0.380 7.668 1.00 0.36 H new ATOM 499 N THR A 34 -1.269 -1.967 7.551 1.00 0.35 N ATOM 500 CA THR A 34 -0.166 -2.753 8.167 1.00 0.37 C ATOM 501 C THR A 34 1.099 -2.614 7.318 1.00 0.38 C ATOM 502 O THR A 34 2.187 -2.438 7.831 1.00 0.39 O ATOM 503 CB THR A 34 -0.584 -4.229 8.261 1.00 0.38 C ATOM 504 OG1 THR A 34 -1.963 -4.301 8.598 1.00 0.43 O ATOM 505 CG2 THR A 34 0.239 -4.947 9.334 1.00 0.31 C ATOM 0 H THR A 34 -2.031 -2.519 7.157 1.00 0.35 H new ATOM 0 HA THR A 34 0.040 -2.376 9.169 1.00 0.37 H new ATOM 0 HB THR A 34 -0.408 -4.712 7.300 1.00 0.38 H new ATOM 0 HG1 THR A 34 -2.233 -5.240 8.674 1.00 0.43 H new ATOM 0 HG21 THR A 34 -0.068 -5.991 9.390 1.00 0.31 H new ATOM 0 HG22 THR A 34 1.297 -4.893 9.078 1.00 0.31 H new ATOM 0 HG23 THR A 34 0.074 -4.469 10.300 1.00 0.31 H new ATOM 513 N VAL A 35 0.969 -2.678 6.021 1.00 0.37 N ATOM 514 CA VAL A 35 2.171 -2.534 5.154 1.00 0.37 C ATOM 515 C VAL A 35 2.731 -1.122 5.322 1.00 0.37 C ATOM 516 O VAL A 35 3.903 -0.930 5.593 1.00 0.34 O ATOM 517 CB VAL A 35 1.788 -2.755 3.687 1.00 0.37 C ATOM 518 CG1 VAL A 35 3.039 -2.661 2.814 1.00 0.41 C ATOM 519 CG2 VAL A 35 1.160 -4.143 3.521 1.00 0.33 C ATOM 0 H VAL A 35 0.088 -2.823 5.527 1.00 0.37 H new ATOM 0 HA VAL A 35 2.919 -3.273 5.441 1.00 0.37 H new ATOM 0 HB VAL A 35 1.070 -1.992 3.384 1.00 0.37 H new ATOM 0 HG11 VAL A 35 2.767 -2.818 1.770 1.00 0.41 H new ATOM 0 HG12 VAL A 35 3.488 -1.674 2.927 1.00 0.41 H new ATOM 0 HG13 VAL A 35 3.755 -3.423 3.121 1.00 0.41 H new ATOM 0 HG21 VAL A 35 0.889 -4.297 2.477 1.00 0.33 H new ATOM 0 HG22 VAL A 35 1.877 -4.905 3.826 1.00 0.33 H new ATOM 0 HG23 VAL A 35 0.267 -4.215 4.142 1.00 0.33 H new ATOM 529 N MET A 36 1.896 -0.133 5.169 1.00 0.40 N ATOM 530 CA MET A 36 2.365 1.268 5.324 1.00 0.39 C ATOM 531 C MET A 36 2.982 1.442 6.715 1.00 0.36 C ATOM 532 O MET A 36 3.934 2.175 6.896 1.00 0.33 O ATOM 533 CB MET A 36 1.173 2.218 5.166 1.00 0.43 C ATOM 534 CG MET A 36 0.802 2.362 3.678 1.00 0.48 C ATOM 535 SD MET A 36 1.663 3.793 2.972 1.00 1.09 S ATOM 536 CE MET A 36 0.365 4.296 1.815 1.00 0.38 C ATOM 0 H MET A 36 0.907 -0.237 4.943 1.00 0.40 H new ATOM 0 HA MET A 36 3.113 1.495 4.565 1.00 0.39 H new ATOM 0 HB2 MET A 36 0.319 1.838 5.726 1.00 0.43 H new ATOM 0 HB3 MET A 36 1.419 3.194 5.583 1.00 0.43 H new ATOM 0 HG2 MET A 36 1.075 1.457 3.136 1.00 0.48 H new ATOM 0 HG3 MET A 36 -0.276 2.485 3.572 1.00 0.48 H new ATOM 0 HE1 MET A 36 0.653 5.228 1.328 1.00 0.38 H new ATOM 0 HE2 MET A 36 0.228 3.520 1.062 1.00 0.38 H new ATOM 0 HE3 MET A 36 -0.569 4.444 2.358 1.00 0.38 H new ATOM 546 N ARG A 37 2.444 0.772 7.703 1.00 0.36 N ATOM 547 CA ARG A 37 3.002 0.903 9.079 1.00 0.33 C ATOM 548 C ARG A 37 4.387 0.255 9.127 1.00 0.30 C ATOM 549 O ARG A 37 5.263 0.697 9.844 1.00 0.30 O ATOM 550 CB ARG A 37 2.065 0.217 10.085 1.00 0.32 C ATOM 551 CG ARG A 37 0.909 1.159 10.437 1.00 0.35 C ATOM 552 CD ARG A 37 -0.163 0.391 11.210 1.00 1.10 C ATOM 553 NE ARG A 37 0.430 -0.177 12.453 1.00 0.70 N ATOM 554 CZ ARG A 37 -0.346 -0.598 13.413 1.00 0.94 C ATOM 555 NH1 ARG A 37 -1.641 -0.511 13.292 1.00 1.65 N ATOM 556 NH2 ARG A 37 0.174 -1.107 14.497 1.00 0.82 N ATOM 0 H ARG A 37 1.646 0.143 7.615 1.00 0.36 H new ATOM 0 HA ARG A 37 3.089 1.958 9.340 1.00 0.33 H new ATOM 0 HB2 ARG A 37 1.676 -0.709 9.662 1.00 0.32 H new ATOM 0 HB3 ARG A 37 2.616 -0.051 10.986 1.00 0.32 H new ATOM 0 HG2 ARG A 37 1.276 1.993 11.036 1.00 0.35 H new ATOM 0 HG3 ARG A 37 0.482 1.583 9.528 1.00 0.35 H new ATOM 0 HD2 ARG A 37 -0.991 1.054 11.460 1.00 1.10 H new ATOM 0 HD3 ARG A 37 -0.570 -0.408 10.591 1.00 1.10 H new ATOM 0 HE ARG A 37 1.443 -0.237 12.553 1.00 0.70 H new ATOM 0 HH11 ARG A 37 -2.049 -0.113 12.446 1.00 1.65 H new ATOM 0 HH12 ARG A 37 -2.247 -0.841 14.044 1.00 1.65 H new ATOM 0 HH21 ARG A 37 1.187 -1.175 14.593 1.00 0.82 H new ATOM 0 HH22 ARG A 37 -0.433 -1.436 15.248 1.00 0.82 H new ATOM 570 N SER A 38 4.597 -0.780 8.365 1.00 0.28 N ATOM 571 CA SER A 38 5.932 -1.436 8.373 1.00 0.26 C ATOM 572 C SER A 38 6.979 -0.417 7.920 1.00 0.26 C ATOM 573 O SER A 38 8.120 -0.457 8.337 1.00 0.27 O ATOM 574 CB SER A 38 5.924 -2.625 7.413 1.00 0.27 C ATOM 575 OG SER A 38 5.989 -2.149 6.076 1.00 0.25 O ATOM 0 H SER A 38 3.907 -1.198 7.741 1.00 0.28 H new ATOM 0 HA SER A 38 6.168 -1.791 9.376 1.00 0.26 H new ATOM 0 HB2 SER A 38 6.771 -3.280 7.620 1.00 0.27 H new ATOM 0 HB3 SER A 38 5.020 -3.217 7.557 1.00 0.27 H new ATOM 0 HG SER A 38 5.084 -2.088 5.706 1.00 0.25 H new ATOM 581 N LEU A 39 6.597 0.498 7.070 1.00 0.24 N ATOM 582 CA LEU A 39 7.567 1.524 6.589 1.00 0.25 C ATOM 583 C LEU A 39 7.688 2.646 7.627 1.00 0.27 C ATOM 584 O LEU A 39 8.447 3.581 7.456 1.00 0.32 O ATOM 585 CB LEU A 39 7.078 2.111 5.261 1.00 0.23 C ATOM 586 CG LEU A 39 6.732 0.980 4.286 1.00 0.23 C ATOM 587 CD1 LEU A 39 6.122 1.575 3.015 1.00 0.18 C ATOM 588 CD2 LEU A 39 8.003 0.194 3.926 1.00 0.26 C ATOM 0 H LEU A 39 5.655 0.579 6.688 1.00 0.24 H new ATOM 0 HA LEU A 39 8.541 1.057 6.444 1.00 0.25 H new ATOM 0 HB2 LEU A 39 6.202 2.737 5.431 1.00 0.23 H new ATOM 0 HB3 LEU A 39 7.848 2.751 4.831 1.00 0.23 H new ATOM 0 HG LEU A 39 6.016 0.306 4.756 1.00 0.23 H new ATOM 0 HD11 LEU A 39 5.875 0.773 2.320 1.00 0.18 H new ATOM 0 HD12 LEU A 39 5.217 2.126 3.269 1.00 0.18 H new ATOM 0 HD13 LEU A 39 6.839 2.251 2.549 1.00 0.18 H new ATOM 0 HD21 LEU A 39 7.750 -0.608 3.233 1.00 0.26 H new ATOM 0 HD22 LEU A 39 8.725 0.864 3.458 1.00 0.26 H new ATOM 0 HD23 LEU A 39 8.436 -0.231 4.831 1.00 0.26 H new ATOM 600 N GLY A 40 6.960 2.557 8.709 1.00 0.25 N ATOM 601 CA GLY A 40 7.047 3.616 9.763 1.00 0.27 C ATOM 602 C GLY A 40 6.039 4.740 9.485 1.00 0.26 C ATOM 603 O GLY A 40 6.157 5.829 10.012 1.00 0.29 O ATOM 0 H GLY A 40 6.309 1.798 8.910 1.00 0.25 H new ATOM 0 HA2 GLY A 40 6.851 3.179 10.742 1.00 0.27 H new ATOM 0 HA3 GLY A 40 8.057 4.025 9.793 1.00 0.27 H new ATOM 607 N GLN A 41 5.045 4.489 8.669 1.00 0.24 N ATOM 608 CA GLN A 41 4.026 5.544 8.366 1.00 0.25 C ATOM 609 C GLN A 41 2.777 5.289 9.214 1.00 0.23 C ATOM 610 O GLN A 41 2.418 4.159 9.470 1.00 0.19 O ATOM 611 CB GLN A 41 3.656 5.476 6.883 1.00 0.25 C ATOM 612 CG GLN A 41 4.859 5.894 6.035 1.00 0.26 C ATOM 613 CD GLN A 41 4.507 5.773 4.553 1.00 1.31 C ATOM 614 OE1 GLN A 41 4.263 4.689 4.061 1.00 2.49 O ATOM 615 NE2 GLN A 41 4.470 6.848 3.816 1.00 1.45 N ATOM 0 H GLN A 41 4.894 3.597 8.198 1.00 0.24 H new ATOM 0 HA GLN A 41 4.432 6.529 8.595 1.00 0.25 H new ATOM 0 HB2 GLN A 41 3.347 4.464 6.621 1.00 0.25 H new ATOM 0 HB3 GLN A 41 2.809 6.131 6.679 1.00 0.25 H new ATOM 0 HG2 GLN A 41 5.143 6.920 6.269 1.00 0.26 H new ATOM 0 HG3 GLN A 41 5.718 5.264 6.268 1.00 0.26 H new ATOM 0 HE21 GLN A 41 4.675 7.757 4.230 1.00 1.45 H new ATOM 0 HE22 GLN A 41 4.236 6.780 2.826 1.00 1.45 H new ATOM 624 N ASN A 42 2.112 6.328 9.664 1.00 0.24 N ATOM 625 CA ASN A 42 0.888 6.136 10.508 1.00 0.23 C ATOM 626 C ASN A 42 -0.234 7.078 10.043 1.00 0.26 C ATOM 627 O ASN A 42 -0.528 8.048 10.710 1.00 0.27 O ATOM 628 CB ASN A 42 1.232 6.457 11.965 1.00 0.22 C ATOM 629 CG ASN A 42 0.106 5.965 12.877 1.00 0.24 C ATOM 630 OD1 ASN A 42 0.261 4.989 13.585 1.00 1.48 O ATOM 631 ND2 ASN A 42 -1.032 6.605 12.892 1.00 1.23 N ATOM 0 H ASN A 42 2.364 7.300 9.483 1.00 0.24 H new ATOM 0 HA ASN A 42 0.550 5.104 10.415 1.00 0.23 H new ATOM 0 HB2 ASN A 42 2.172 5.980 12.241 1.00 0.22 H new ATOM 0 HB3 ASN A 42 1.371 7.531 12.089 1.00 0.22 H new ATOM 0 HD21 ASN A 42 -1.789 6.286 13.497 1.00 1.23 H new ATOM 0 HD22 ASN A 42 -1.164 7.424 12.299 1.00 1.23 H new ATOM 638 N PRO A 43 -0.845 6.765 8.917 1.00 0.26 N ATOM 639 CA PRO A 43 -1.944 7.587 8.384 1.00 0.30 C ATOM 640 C PRO A 43 -3.186 7.389 9.263 1.00 0.29 C ATOM 641 O PRO A 43 -3.379 6.336 9.841 1.00 0.26 O ATOM 642 CB PRO A 43 -2.183 7.045 6.953 1.00 0.30 C ATOM 643 CG PRO A 43 -1.320 5.756 6.796 1.00 0.28 C ATOM 644 CD PRO A 43 -0.493 5.589 8.091 1.00 0.25 C ATOM 0 HA PRO A 43 -1.721 8.654 8.373 1.00 0.30 H new ATOM 0 HB2 PRO A 43 -3.239 6.822 6.798 1.00 0.30 H new ATOM 0 HB3 PRO A 43 -1.901 7.789 6.208 1.00 0.30 H new ATOM 0 HG2 PRO A 43 -1.956 4.886 6.633 1.00 0.28 H new ATOM 0 HG3 PRO A 43 -0.663 5.838 5.930 1.00 0.28 H new ATOM 0 HD2 PRO A 43 -0.741 4.658 8.602 1.00 0.25 H new ATOM 0 HD3 PRO A 43 0.575 5.561 7.877 1.00 0.25 H new ATOM 652 N THR A 44 -4.037 8.373 9.370 1.00 0.32 N ATOM 653 CA THR A 44 -5.247 8.190 10.212 1.00 0.33 C ATOM 654 C THR A 44 -6.180 7.200 9.525 1.00 0.31 C ATOM 655 O THR A 44 -5.976 6.821 8.389 1.00 0.31 O ATOM 656 CB THR A 44 -5.981 9.519 10.396 1.00 0.36 C ATOM 657 OG1 THR A 44 -6.284 10.069 9.123 1.00 0.37 O ATOM 658 CG2 THR A 44 -5.100 10.490 11.182 1.00 0.40 C ATOM 0 H THR A 44 -3.947 9.282 8.917 1.00 0.32 H new ATOM 0 HA THR A 44 -4.944 7.816 11.190 1.00 0.33 H new ATOM 0 HB THR A 44 -6.906 9.350 10.948 1.00 0.36 H new ATOM 0 HG1 THR A 44 -6.756 10.920 9.238 1.00 0.37 H new ATOM 0 HG21 THR A 44 -5.626 11.436 11.311 1.00 0.40 H new ATOM 0 HG22 THR A 44 -4.872 10.065 12.160 1.00 0.40 H new ATOM 0 HG23 THR A 44 -4.172 10.663 10.637 1.00 0.40 H new ATOM 666 N GLU A 45 -7.200 6.773 10.206 1.00 0.31 N ATOM 667 CA GLU A 45 -8.146 5.804 9.600 1.00 0.30 C ATOM 668 C GLU A 45 -8.848 6.443 8.403 1.00 0.30 C ATOM 669 O GLU A 45 -9.083 5.802 7.398 1.00 0.25 O ATOM 670 CB GLU A 45 -9.175 5.398 10.651 1.00 0.31 C ATOM 671 CG GLU A 45 -8.516 4.480 11.683 1.00 0.33 C ATOM 672 CD GLU A 45 -9.559 4.012 12.699 1.00 0.69 C ATOM 673 OE1 GLU A 45 -10.713 3.892 12.321 1.00 1.14 O ATOM 674 OE2 GLU A 45 -9.185 3.781 13.837 1.00 1.38 O ATOM 0 H GLU A 45 -7.421 7.055 11.161 1.00 0.31 H new ATOM 0 HA GLU A 45 -7.603 4.923 9.257 1.00 0.30 H new ATOM 0 HB2 GLU A 45 -9.578 6.284 11.142 1.00 0.31 H new ATOM 0 HB3 GLU A 45 -10.013 4.887 10.177 1.00 0.31 H new ATOM 0 HG2 GLU A 45 -8.068 3.620 11.185 1.00 0.33 H new ATOM 0 HG3 GLU A 45 -7.710 5.009 12.192 1.00 0.33 H new ATOM 681 N ALA A 46 -9.181 7.701 8.492 1.00 0.36 N ATOM 682 CA ALA A 46 -9.860 8.360 7.342 1.00 0.37 C ATOM 683 C ALA A 46 -8.884 8.445 6.168 1.00 0.37 C ATOM 684 O ALA A 46 -9.248 8.213 5.032 1.00 0.36 O ATOM 685 CB ALA A 46 -10.328 9.763 7.745 1.00 0.40 C ATOM 0 H ALA A 46 -9.014 8.296 9.303 1.00 0.36 H new ATOM 0 HA ALA A 46 -10.732 7.776 7.047 1.00 0.37 H new ATOM 0 HB1 ALA A 46 -10.824 10.238 6.899 1.00 0.40 H new ATOM 0 HB2 ALA A 46 -11.026 9.688 8.579 1.00 0.40 H new ATOM 0 HB3 ALA A 46 -9.468 10.361 8.045 1.00 0.40 H new ATOM 691 N GLU A 47 -7.640 8.754 6.423 1.00 0.37 N ATOM 692 CA GLU A 47 -6.661 8.822 5.306 1.00 0.37 C ATOM 693 C GLU A 47 -6.621 7.453 4.631 1.00 0.35 C ATOM 694 O GLU A 47 -6.505 7.341 3.430 1.00 0.36 O ATOM 695 CB GLU A 47 -5.270 9.163 5.846 1.00 0.37 C ATOM 696 CG GLU A 47 -5.186 10.659 6.160 1.00 0.40 C ATOM 697 CD GLU A 47 -3.750 11.018 6.547 1.00 0.64 C ATOM 698 OE1 GLU A 47 -3.299 10.543 7.576 1.00 0.74 O ATOM 699 OE2 GLU A 47 -3.128 11.764 5.809 1.00 0.89 O ATOM 0 H GLU A 47 -7.265 8.960 7.349 1.00 0.37 H new ATOM 0 HA GLU A 47 -6.958 9.594 4.596 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -5.067 8.582 6.745 1.00 0.37 H new ATOM 0 HB3 GLU A 47 -4.510 8.893 5.113 1.00 0.37 H new ATOM 0 HG2 GLU A 47 -5.497 11.242 5.293 1.00 0.40 H new ATOM 0 HG3 GLU A 47 -5.867 10.910 6.973 1.00 0.40 H new ATOM 706 N LEU A 48 -6.723 6.408 5.407 1.00 0.31 N ATOM 707 CA LEU A 48 -6.694 5.041 4.819 1.00 0.29 C ATOM 708 C LEU A 48 -8.010 4.773 4.078 1.00 0.30 C ATOM 709 O LEU A 48 -8.015 4.284 2.971 1.00 0.30 O ATOM 710 CB LEU A 48 -6.511 4.000 5.940 1.00 0.26 C ATOM 711 CG LEU A 48 -5.025 3.906 6.352 1.00 0.29 C ATOM 712 CD1 LEU A 48 -4.919 3.359 7.783 1.00 0.31 C ATOM 713 CD2 LEU A 48 -4.271 2.956 5.411 1.00 0.33 C ATOM 0 H LEU A 48 -6.825 6.443 6.421 1.00 0.31 H new ATOM 0 HA LEU A 48 -5.863 4.966 4.118 1.00 0.29 H new ATOM 0 HB2 LEU A 48 -7.117 4.275 6.803 1.00 0.26 H new ATOM 0 HB3 LEU A 48 -6.863 3.026 5.601 1.00 0.26 H new ATOM 0 HG LEU A 48 -4.587 4.903 6.295 1.00 0.29 H new ATOM 0 HD11 LEU A 48 -3.870 3.294 8.071 1.00 0.31 H new ATOM 0 HD12 LEU A 48 -5.442 4.027 8.467 1.00 0.31 H new ATOM 0 HD13 LEU A 48 -5.370 2.368 7.828 1.00 0.31 H new ATOM 0 HD21 LEU A 48 -3.225 2.899 5.713 1.00 0.33 H new ATOM 0 HD22 LEU A 48 -4.718 1.963 5.462 1.00 0.33 H new ATOM 0 HD23 LEU A 48 -4.334 3.330 4.389 1.00 0.33 H new ATOM 725 N GLN A 49 -9.126 5.073 4.687 1.00 0.31 N ATOM 726 CA GLN A 49 -10.434 4.810 4.019 1.00 0.32 C ATOM 727 C GLN A 49 -10.606 5.713 2.794 1.00 0.32 C ATOM 728 O GLN A 49 -11.385 5.423 1.907 1.00 0.31 O ATOM 729 CB GLN A 49 -11.564 5.092 5.009 1.00 0.32 C ATOM 730 CG GLN A 49 -11.673 3.943 6.021 1.00 0.31 C ATOM 731 CD GLN A 49 -12.402 2.757 5.383 1.00 1.09 C ATOM 732 OE1 GLN A 49 -13.040 2.901 4.359 1.00 1.64 O ATOM 733 NE2 GLN A 49 -12.334 1.584 5.951 1.00 1.84 N ATOM 0 H GLN A 49 -9.189 5.488 5.617 1.00 0.31 H new ATOM 0 HA GLN A 49 -10.461 3.769 3.695 1.00 0.32 H new ATOM 0 HB2 GLN A 49 -11.376 6.031 5.531 1.00 0.32 H new ATOM 0 HB3 GLN A 49 -12.507 5.208 4.474 1.00 0.32 H new ATOM 0 HG2 GLN A 49 -10.679 3.638 6.347 1.00 0.31 H new ATOM 0 HG3 GLN A 49 -12.211 4.277 6.908 1.00 0.31 H new ATOM 0 HE21 GLN A 49 -11.798 1.464 6.811 1.00 1.84 H new ATOM 0 HE22 GLN A 49 -12.817 0.787 5.535 1.00 1.84 H new ATOM 742 N ASP A 50 -9.903 6.805 2.737 1.00 0.34 N ATOM 743 CA ASP A 50 -10.055 7.716 1.567 1.00 0.33 C ATOM 744 C ASP A 50 -9.358 7.108 0.355 1.00 0.33 C ATOM 745 O ASP A 50 -9.912 7.043 -0.724 1.00 0.32 O ATOM 746 CB ASP A 50 -9.426 9.075 1.886 1.00 0.35 C ATOM 747 CG ASP A 50 -10.241 9.779 2.970 1.00 1.00 C ATOM 748 OD1 ASP A 50 -11.102 9.134 3.549 1.00 2.12 O ATOM 749 OD2 ASP A 50 -9.994 10.950 3.206 1.00 1.67 O ATOM 0 H ASP A 50 -9.233 7.108 3.444 1.00 0.34 H new ATOM 0 HA ASP A 50 -11.115 7.850 1.350 1.00 0.33 H new ATOM 0 HB2 ASP A 50 -8.397 8.941 2.221 1.00 0.35 H new ATOM 0 HB3 ASP A 50 -9.391 9.690 0.987 1.00 0.35 H new ATOM 890 N GLY A 61 -12.075 -5.360 -2.697 1.00 0.27 N ATOM 891 CA GLY A 61 -11.282 -5.033 -1.464 1.00 0.21 C ATOM 892 C GLY A 61 -9.884 -5.688 -1.508 1.00 0.17 C ATOM 893 O GLY A 61 -9.474 -6.317 -0.553 1.00 0.28 O ATOM 0 HA2 GLY A 61 -11.177 -3.952 -1.372 1.00 0.21 H new ATOM 0 HA3 GLY A 61 -11.820 -5.377 -0.581 1.00 0.21 H new ATOM 897 N THR A 62 -9.139 -5.550 -2.588 1.00 0.13 N ATOM 898 CA THR A 62 -7.777 -6.164 -2.652 1.00 0.23 C ATOM 899 C THR A 62 -6.824 -5.186 -3.353 1.00 0.27 C ATOM 900 O THR A 62 -7.256 -4.281 -4.039 1.00 0.29 O ATOM 901 CB THR A 62 -7.849 -7.468 -3.446 1.00 0.26 C ATOM 902 OG1 THR A 62 -8.299 -7.193 -4.765 1.00 0.21 O ATOM 903 CG2 THR A 62 -8.820 -8.432 -2.761 1.00 0.37 C ATOM 0 H THR A 62 -9.421 -5.038 -3.424 1.00 0.13 H new ATOM 0 HA THR A 62 -7.414 -6.374 -1.646 1.00 0.23 H new ATOM 0 HB THR A 62 -6.860 -7.924 -3.488 1.00 0.26 H new ATOM 0 HG1 THR A 62 -8.344 -8.028 -5.276 1.00 0.21 H new ATOM 0 HG21 THR A 62 -8.871 -9.362 -3.328 1.00 0.37 H new ATOM 0 HG22 THR A 62 -8.471 -8.642 -1.750 1.00 0.37 H new ATOM 0 HG23 THR A 62 -9.811 -7.980 -2.716 1.00 0.37 H new ATOM 911 N ILE A 63 -5.534 -5.350 -3.180 1.00 0.26 N ATOM 912 CA ILE A 63 -4.556 -4.418 -3.834 1.00 0.29 C ATOM 913 C ILE A 63 -3.353 -5.213 -4.348 1.00 0.29 C ATOM 914 O ILE A 63 -2.820 -6.060 -3.661 1.00 0.26 O ATOM 915 CB ILE A 63 -4.081 -3.390 -2.797 1.00 0.28 C ATOM 916 CG1 ILE A 63 -5.270 -3.015 -1.901 1.00 0.28 C ATOM 917 CG2 ILE A 63 -3.523 -2.138 -3.500 1.00 0.29 C ATOM 918 CD1 ILE A 63 -4.901 -1.847 -0.983 1.00 0.26 C ATOM 0 H ILE A 63 -5.115 -6.088 -2.615 1.00 0.26 H new ATOM 0 HA ILE A 63 -5.035 -3.910 -4.671 1.00 0.29 H new ATOM 0 HB ILE A 63 -3.283 -3.819 -2.191 1.00 0.28 H new ATOM 0 HG12 ILE A 63 -6.127 -2.744 -2.518 1.00 0.28 H new ATOM 0 HG13 ILE A 63 -5.568 -3.876 -1.302 1.00 0.28 H new ATOM 0 HG21 ILE A 63 -3.190 -1.418 -2.752 1.00 0.29 H new ATOM 0 HG22 ILE A 63 -2.681 -2.420 -4.132 1.00 0.29 H new ATOM 0 HG23 ILE A 63 -4.303 -1.688 -4.115 1.00 0.29 H new ATOM 0 HD11 ILE A 63 -5.755 -1.594 -0.355 1.00 0.26 H new ATOM 0 HD12 ILE A 63 -4.059 -2.132 -0.353 1.00 0.26 H new ATOM 0 HD13 ILE A 63 -4.626 -0.982 -1.587 1.00 0.26 H new ATOM 930 N ASP A 64 -2.917 -4.929 -5.545 1.00 0.30 N ATOM 931 CA ASP A 64 -1.732 -5.637 -6.121 1.00 0.30 C ATOM 932 C ASP A 64 -0.507 -4.708 -6.005 1.00 0.29 C ATOM 933 O ASP A 64 -0.638 -3.544 -5.686 1.00 0.28 O ATOM 934 CB ASP A 64 -2.030 -6.003 -7.586 1.00 0.33 C ATOM 935 CG ASP A 64 -2.241 -4.736 -8.420 1.00 0.34 C ATOM 936 OD1 ASP A 64 -1.851 -3.675 -7.967 1.00 0.39 O ATOM 937 OD2 ASP A 64 -2.789 -4.852 -9.503 1.00 0.36 O ATOM 0 H ASP A 64 -3.335 -4.229 -6.158 1.00 0.30 H new ATOM 0 HA ASP A 64 -1.521 -6.560 -5.580 1.00 0.30 H new ATOM 0 HB2 ASP A 64 -1.205 -6.584 -7.998 1.00 0.33 H new ATOM 0 HB3 ASP A 64 -2.919 -6.632 -7.637 1.00 0.33 H new ATOM 942 N PHE A 65 0.685 -5.214 -6.212 1.00 0.28 N ATOM 943 CA PHE A 65 1.905 -4.349 -6.055 1.00 0.27 C ATOM 944 C PHE A 65 1.935 -3.151 -7.036 1.00 0.28 C ATOM 945 O PHE A 65 2.255 -2.063 -6.600 1.00 0.28 O ATOM 946 CB PHE A 65 3.186 -5.200 -6.178 1.00 0.26 C ATOM 947 CG PHE A 65 4.388 -4.404 -5.708 1.00 0.24 C ATOM 948 CD1 PHE A 65 4.488 -3.996 -4.369 1.00 0.52 C ATOM 949 CD2 PHE A 65 5.411 -4.082 -6.611 1.00 0.72 C ATOM 950 CE1 PHE A 65 5.606 -3.271 -3.938 1.00 0.55 C ATOM 951 CE2 PHE A 65 6.528 -3.356 -6.177 1.00 0.68 C ATOM 952 CZ PHE A 65 6.626 -2.952 -4.843 1.00 0.21 C ATOM 0 H PHE A 65 0.869 -6.181 -6.481 1.00 0.28 H new ATOM 0 HA PHE A 65 1.858 -3.917 -5.055 1.00 0.27 H new ATOM 0 HB2 PHE A 65 3.087 -6.108 -5.584 1.00 0.26 H new ATOM 0 HB3 PHE A 65 3.328 -5.510 -7.213 1.00 0.26 H new ATOM 0 HD1 PHE A 65 3.702 -4.241 -3.670 1.00 0.52 H new ATOM 0 HD2 PHE A 65 5.338 -4.394 -7.642 1.00 0.72 H new ATOM 0 HE1 PHE A 65 5.682 -2.958 -2.907 1.00 0.55 H new ATOM 0 HE2 PHE A 65 7.314 -3.108 -6.875 1.00 0.68 H new ATOM 0 HZ PHE A 65 7.488 -2.394 -4.510 1.00 0.21 H new ATOM 962 N PRO A 66 1.612 -3.319 -8.308 1.00 0.29 N ATOM 963 CA PRO A 66 1.639 -2.164 -9.227 1.00 0.30 C ATOM 964 C PRO A 66 0.750 -1.045 -8.664 1.00 0.32 C ATOM 965 O PRO A 66 1.170 0.086 -8.534 1.00 0.32 O ATOM 966 CB PRO A 66 1.105 -2.701 -10.575 1.00 0.34 C ATOM 967 CG PRO A 66 0.866 -4.230 -10.402 1.00 0.33 C ATOM 968 CD PRO A 66 1.203 -4.595 -8.936 1.00 0.29 C ATOM 0 HA PRO A 66 2.635 -1.740 -9.351 1.00 0.30 H new ATOM 0 HB2 PRO A 66 0.179 -2.196 -10.850 1.00 0.34 H new ATOM 0 HB3 PRO A 66 1.821 -2.512 -11.375 1.00 0.34 H new ATOM 0 HG2 PRO A 66 -0.169 -4.484 -10.631 1.00 0.33 H new ATOM 0 HG3 PRO A 66 1.493 -4.796 -11.091 1.00 0.33 H new ATOM 0 HD2 PRO A 66 0.340 -5.026 -8.428 1.00 0.29 H new ATOM 0 HD3 PRO A 66 2.003 -5.333 -8.887 1.00 0.29 H new ATOM 976 N GLU A 67 -0.469 -1.360 -8.322 1.00 0.36 N ATOM 977 CA GLU A 67 -1.373 -0.318 -7.762 1.00 0.39 C ATOM 978 C GLU A 67 -0.812 0.174 -6.428 1.00 0.36 C ATOM 979 O GLU A 67 -0.990 1.317 -6.054 1.00 0.38 O ATOM 980 CB GLU A 67 -2.769 -0.908 -7.543 1.00 0.44 C ATOM 981 CG GLU A 67 -3.366 -1.325 -8.887 1.00 0.50 C ATOM 982 CD GLU A 67 -4.579 -2.228 -8.650 1.00 0.57 C ATOM 983 OE1 GLU A 67 -4.520 -3.038 -7.741 1.00 0.45 O ATOM 984 OE2 GLU A 67 -5.545 -2.092 -9.384 1.00 0.76 O ATOM 0 H GLU A 67 -0.877 -2.291 -8.406 1.00 0.36 H new ATOM 0 HA GLU A 67 -1.441 0.516 -8.461 1.00 0.39 H new ATOM 0 HB2 GLU A 67 -2.711 -1.769 -6.877 1.00 0.44 H new ATOM 0 HB3 GLU A 67 -3.413 -0.174 -7.059 1.00 0.44 H new ATOM 0 HG2 GLU A 67 -3.662 -0.443 -9.455 1.00 0.50 H new ATOM 0 HG3 GLU A 67 -2.619 -1.851 -9.481 1.00 0.50 H new ATOM 991 N PHE A 68 -0.129 -0.675 -5.707 1.00 0.33 N ATOM 992 CA PHE A 68 0.441 -0.240 -4.402 1.00 0.32 C ATOM 993 C PHE A 68 1.473 0.860 -4.664 1.00 0.27 C ATOM 994 O PHE A 68 1.586 1.807 -3.912 1.00 0.30 O ATOM 995 CB PHE A 68 1.108 -1.424 -3.688 1.00 0.30 C ATOM 996 CG PHE A 68 1.556 -0.997 -2.308 1.00 0.30 C ATOM 997 CD1 PHE A 68 0.627 -0.929 -1.262 1.00 0.26 C ATOM 998 CD2 PHE A 68 2.899 -0.671 -2.075 1.00 0.34 C ATOM 999 CE1 PHE A 68 1.043 -0.536 0.017 1.00 0.27 C ATOM 1000 CE2 PHE A 68 3.312 -0.279 -0.798 1.00 0.34 C ATOM 1001 CZ PHE A 68 2.385 -0.210 0.249 1.00 0.31 C ATOM 0 H PHE A 68 0.057 -1.644 -5.964 1.00 0.33 H new ATOM 0 HA PHE A 68 -0.356 0.139 -3.762 1.00 0.32 H new ATOM 0 HB2 PHE A 68 0.409 -2.257 -3.613 1.00 0.30 H new ATOM 0 HB3 PHE A 68 1.962 -1.776 -4.266 1.00 0.30 H new ATOM 0 HD1 PHE A 68 -0.408 -1.179 -1.441 1.00 0.26 H new ATOM 0 HD2 PHE A 68 3.615 -0.723 -2.882 1.00 0.34 H new ATOM 0 HE1 PHE A 68 0.328 -0.484 0.825 1.00 0.27 H new ATOM 0 HE2 PHE A 68 4.347 -0.029 -0.619 1.00 0.34 H new ATOM 0 HZ PHE A 68 2.705 0.094 1.235 1.00 0.31 H new ATOM 1011 N LEU A 69 2.218 0.749 -5.732 1.00 0.21 N ATOM 1012 CA LEU A 69 3.228 1.803 -6.034 1.00 0.16 C ATOM 1013 C LEU A 69 2.516 3.088 -6.467 1.00 0.23 C ATOM 1014 O LEU A 69 3.049 4.173 -6.341 1.00 0.25 O ATOM 1015 CB LEU A 69 4.150 1.343 -7.173 1.00 0.08 C ATOM 1016 CG LEU A 69 4.923 0.079 -6.774 1.00 0.12 C ATOM 1017 CD1 LEU A 69 5.855 -0.316 -7.926 1.00 0.15 C ATOM 1018 CD2 LEU A 69 5.756 0.339 -5.505 1.00 0.32 C ATOM 0 H LEU A 69 2.171 -0.019 -6.402 1.00 0.21 H new ATOM 0 HA LEU A 69 3.820 1.986 -5.137 1.00 0.16 H new ATOM 0 HB2 LEU A 69 3.559 1.146 -8.068 1.00 0.08 H new ATOM 0 HB3 LEU A 69 4.851 2.139 -7.423 1.00 0.08 H new ATOM 0 HG LEU A 69 4.217 -0.726 -6.569 1.00 0.12 H new ATOM 0 HD11 LEU A 69 6.410 -1.214 -7.654 1.00 0.15 H new ATOM 0 HD12 LEU A 69 5.264 -0.512 -8.821 1.00 0.15 H new ATOM 0 HD13 LEU A 69 6.554 0.497 -8.123 1.00 0.15 H new ATOM 0 HD21 LEU A 69 6.299 -0.567 -5.234 1.00 0.32 H new ATOM 0 HD22 LEU A 69 6.466 1.144 -5.694 1.00 0.32 H new ATOM 0 HD23 LEU A 69 5.094 0.623 -4.687 1.00 0.32 H new ATOM 1030 N THR A 70 1.322 2.984 -6.986 1.00 0.29 N ATOM 1031 CA THR A 70 0.603 4.211 -7.430 1.00 0.36 C ATOM 1032 C THR A 70 0.089 4.986 -6.210 1.00 0.43 C ATOM 1033 O THR A 70 0.102 6.200 -6.194 1.00 0.39 O ATOM 1034 CB THR A 70 -0.566 3.830 -8.355 1.00 0.44 C ATOM 1035 OG1 THR A 70 -0.045 3.305 -9.568 1.00 0.41 O ATOM 1036 CG2 THR A 70 -1.405 5.073 -8.659 1.00 0.50 C ATOM 0 H THR A 70 0.817 2.108 -7.121 1.00 0.29 H new ATOM 0 HA THR A 70 1.292 4.848 -7.984 1.00 0.36 H new ATOM 0 HB THR A 70 -1.192 3.083 -7.867 1.00 0.44 H new ATOM 0 HG1 THR A 70 -0.784 3.058 -10.162 1.00 0.41 H new ATOM 0 HG21 THR A 70 -2.233 4.802 -9.314 1.00 0.50 H new ATOM 0 HG22 THR A 70 -1.798 5.483 -7.729 1.00 0.50 H new ATOM 0 HG23 THR A 70 -0.783 5.821 -9.151 1.00 0.50 H new ATOM 1044 N MET A 71 -0.352 4.307 -5.185 1.00 0.56 N ATOM 1045 CA MET A 71 -0.845 5.044 -3.978 1.00 0.66 C ATOM 1046 C MET A 71 0.355 5.637 -3.227 1.00 0.63 C ATOM 1047 O MET A 71 0.270 6.695 -2.635 1.00 0.65 O ATOM 1048 CB MET A 71 -1.712 4.118 -3.071 1.00 0.88 C ATOM 1049 CG MET A 71 -0.882 3.294 -2.058 1.00 0.85 C ATOM 1050 SD MET A 71 -1.976 2.690 -0.745 1.00 1.00 S ATOM 1051 CE MET A 71 -3.273 1.979 -1.790 1.00 0.38 C ATOM 0 H MET A 71 -0.394 3.289 -5.127 1.00 0.56 H new ATOM 0 HA MET A 71 -1.495 5.863 -4.288 1.00 0.66 H new ATOM 0 HB2 MET A 71 -2.433 4.728 -2.527 1.00 0.88 H new ATOM 0 HB3 MET A 71 -2.282 3.436 -3.701 1.00 0.88 H new ATOM 0 HG2 MET A 71 -0.400 2.456 -2.561 1.00 0.85 H new ATOM 0 HG3 MET A 71 -0.089 3.909 -1.633 1.00 0.85 H new ATOM 0 HE1 MET A 71 -3.795 1.196 -1.240 1.00 0.38 H new ATOM 0 HE2 MET A 71 -3.981 2.758 -2.071 1.00 0.38 H new ATOM 0 HE3 MET A 71 -2.825 1.555 -2.688 1.00 0.38 H new ATOM 1061 N MET A 72 1.477 4.967 -3.256 1.00 0.63 N ATOM 1062 CA MET A 72 2.678 5.496 -2.555 1.00 0.63 C ATOM 1063 C MET A 72 3.215 6.714 -3.310 1.00 0.53 C ATOM 1064 O MET A 72 3.635 7.686 -2.714 1.00 0.62 O ATOM 1065 CB MET A 72 3.758 4.412 -2.507 1.00 0.64 C ATOM 1066 CG MET A 72 3.294 3.258 -1.612 1.00 0.68 C ATOM 1067 SD MET A 72 3.159 3.827 0.102 1.00 0.94 S ATOM 1068 CE MET A 72 4.880 3.539 0.585 1.00 0.67 C ATOM 0 H MET A 72 1.611 4.077 -3.735 1.00 0.63 H new ATOM 0 HA MET A 72 2.407 5.787 -1.540 1.00 0.63 H new ATOM 0 HB2 MET A 72 3.963 4.045 -3.513 1.00 0.64 H new ATOM 0 HB3 MET A 72 4.689 4.830 -2.124 1.00 0.64 H new ATOM 0 HG2 MET A 72 2.331 2.883 -1.957 1.00 0.68 H new ATOM 0 HG3 MET A 72 4.000 2.430 -1.675 1.00 0.68 H new ATOM 0 HE1 MET A 72 5.002 3.761 1.645 1.00 0.67 H new ATOM 0 HE2 MET A 72 5.140 2.497 0.400 1.00 0.67 H new ATOM 0 HE3 MET A 72 5.535 4.186 0.001 1.00 0.67 H new ATOM 1078 N ALA A 73 3.207 6.675 -4.617 1.00 0.37 N ATOM 1079 CA ALA A 73 3.720 7.839 -5.389 1.00 0.29 C ATOM 1080 C ALA A 73 2.817 9.050 -5.143 1.00 0.32 C ATOM 1081 O ALA A 73 3.266 10.179 -5.142 1.00 0.34 O ATOM 1082 CB ALA A 73 3.743 7.500 -6.882 1.00 0.18 C ATOM 0 H ALA A 73 2.870 5.892 -5.177 1.00 0.37 H new ATOM 0 HA ALA A 73 4.734 8.073 -5.063 1.00 0.29 H new ATOM 0 HB1 ALA A 73 4.119 8.355 -7.444 1.00 0.18 H new ATOM 0 HB2 ALA A 73 4.393 6.641 -7.050 1.00 0.18 H new ATOM 0 HB3 ALA A 73 2.733 7.262 -7.217 1.00 0.18 H new ATOM 1222 N GLU A 82 12.765 16.953 -2.076 1.00 0.31 N ATOM 1223 CA GLU A 82 13.449 18.226 -2.421 1.00 0.43 C ATOM 1224 C GLU A 82 12.966 19.327 -1.470 1.00 0.43 C ATOM 1225 O GLU A 82 13.747 20.050 -0.881 1.00 0.43 O ATOM 1226 CB GLU A 82 13.097 18.569 -3.886 1.00 0.50 C ATOM 1227 CG GLU A 82 14.271 18.222 -4.814 1.00 0.84 C ATOM 1228 CD GLU A 82 13.941 18.670 -6.239 1.00 0.82 C ATOM 1229 OE1 GLU A 82 12.811 18.469 -6.655 1.00 1.30 O ATOM 1230 OE2 GLU A 82 14.822 19.207 -6.890 1.00 1.40 O ATOM 0 HA GLU A 82 14.530 18.136 -2.318 1.00 0.43 H new ATOM 0 HB2 GLU A 82 12.208 18.017 -4.192 1.00 0.50 H new ATOM 0 HB3 GLU A 82 12.859 19.629 -3.971 1.00 0.50 H new ATOM 0 HG2 GLU A 82 15.180 18.713 -4.468 1.00 0.84 H new ATOM 0 HG3 GLU A 82 14.461 17.149 -4.793 1.00 0.84 H new ATOM 1237 N GLU A 83 11.684 19.452 -1.325 1.00 0.44 N ATOM 1238 CA GLU A 83 11.121 20.496 -0.420 1.00 0.45 C ATOM 1239 C GLU A 83 11.547 20.203 1.019 1.00 0.44 C ATOM 1240 O GLU A 83 11.506 21.063 1.876 1.00 0.45 O ATOM 1241 CB GLU A 83 9.584 20.487 -0.520 1.00 0.42 C ATOM 1242 CG GLU A 83 9.129 21.339 -1.715 1.00 0.86 C ATOM 1243 CD GLU A 83 9.184 22.821 -1.340 1.00 1.76 C ATOM 1244 OE1 GLU A 83 9.635 23.119 -0.245 1.00 2.45 O ATOM 1245 OE2 GLU A 83 8.774 23.634 -2.152 1.00 2.53 O ATOM 0 H GLU A 83 10.990 18.872 -1.797 1.00 0.44 H new ATOM 0 HA GLU A 83 11.495 21.477 -0.715 1.00 0.45 H new ATOM 0 HB2 GLU A 83 9.225 19.464 -0.635 1.00 0.42 H new ATOM 0 HB3 GLU A 83 9.149 20.876 0.401 1.00 0.42 H new ATOM 0 HG2 GLU A 83 9.770 21.147 -2.576 1.00 0.86 H new ATOM 0 HG3 GLU A 83 8.115 21.064 -2.005 1.00 0.86 H new ATOM 1252 N GLU A 84 11.934 18.994 1.288 1.00 0.43 N ATOM 1253 CA GLU A 84 12.346 18.623 2.675 1.00 0.44 C ATOM 1254 C GLU A 84 13.812 18.990 2.918 1.00 0.46 C ATOM 1255 O GLU A 84 14.183 19.422 3.993 1.00 0.44 O ATOM 1256 CB GLU A 84 12.160 17.115 2.873 1.00 0.42 C ATOM 1257 CG GLU A 84 10.671 16.796 3.027 1.00 0.25 C ATOM 1258 CD GLU A 84 10.487 15.290 3.233 1.00 1.21 C ATOM 1259 OE1 GLU A 84 11.049 14.770 4.183 1.00 1.73 O ATOM 1260 OE2 GLU A 84 9.789 14.686 2.436 1.00 2.17 O ATOM 0 H GLU A 84 11.985 18.237 0.606 1.00 0.43 H new ATOM 0 HA GLU A 84 11.726 19.172 3.384 1.00 0.44 H new ATOM 0 HB2 GLU A 84 12.572 16.573 2.022 1.00 0.42 H new ATOM 0 HB3 GLU A 84 12.706 16.784 3.756 1.00 0.42 H new ATOM 0 HG2 GLU A 84 10.257 17.342 3.875 1.00 0.25 H new ATOM 0 HG3 GLU A 84 10.126 17.121 2.141 1.00 0.25 H new ATOM 1267 N ILE A 85 14.653 18.810 1.941 1.00 0.51 N ATOM 1268 CA ILE A 85 16.097 19.135 2.142 1.00 0.51 C ATOM 1269 C ILE A 85 16.315 20.652 2.063 1.00 0.55 C ATOM 1270 O ILE A 85 16.987 21.227 2.897 1.00 0.51 O ATOM 1271 CB ILE A 85 16.962 18.420 1.083 1.00 0.47 C ATOM 1272 CG1 ILE A 85 17.062 16.926 1.433 1.00 0.44 C ATOM 1273 CG2 ILE A 85 18.374 19.045 1.073 1.00 0.41 C ATOM 1274 CD1 ILE A 85 17.852 16.190 0.343 1.00 0.40 C ATOM 0 H ILE A 85 14.409 18.455 1.017 1.00 0.51 H new ATOM 0 HA ILE A 85 16.396 18.786 3.130 1.00 0.51 H new ATOM 0 HB ILE A 85 16.508 18.532 0.099 1.00 0.47 H new ATOM 0 HG12 ILE A 85 17.553 16.801 2.398 1.00 0.44 H new ATOM 0 HG13 ILE A 85 16.064 16.497 1.525 1.00 0.44 H new ATOM 0 HG21 ILE A 85 18.989 18.543 0.326 1.00 0.41 H new ATOM 0 HG22 ILE A 85 18.301 20.105 0.830 1.00 0.41 H new ATOM 0 HG23 ILE A 85 18.830 18.929 2.056 1.00 0.41 H new ATOM 0 HD11 ILE A 85 17.920 15.132 0.595 1.00 0.40 H new ATOM 0 HD12 ILE A 85 17.343 16.303 -0.614 1.00 0.40 H new ATOM 0 HD13 ILE A 85 18.855 16.612 0.273 1.00 0.40 H new ATOM 1286 N ARG A 86 15.775 21.308 1.073 1.00 0.63 N ATOM 1287 CA ARG A 86 15.991 22.780 0.975 1.00 0.66 C ATOM 1288 C ARG A 86 15.370 23.458 2.195 1.00 0.70 C ATOM 1289 O ARG A 86 15.918 24.396 2.738 1.00 0.74 O ATOM 1290 CB ARG A 86 15.344 23.317 -0.303 1.00 0.74 C ATOM 1291 CG ARG A 86 13.821 23.189 -0.213 1.00 1.57 C ATOM 1292 CD ARG A 86 13.209 23.452 -1.594 1.00 1.73 C ATOM 1293 NE ARG A 86 14.021 24.477 -2.307 1.00 0.63 N ATOM 1294 CZ ARG A 86 13.898 24.626 -3.598 1.00 1.14 C ATOM 1295 NH1 ARG A 86 13.068 23.873 -4.267 1.00 2.30 N ATOM 1296 NH2 ARG A 86 14.610 25.525 -4.222 1.00 1.58 N ATOM 0 H ARG A 86 15.201 20.896 0.337 1.00 0.63 H new ATOM 0 HA ARG A 86 17.060 22.991 0.943 1.00 0.66 H new ATOM 0 HB2 ARG A 86 15.621 24.361 -0.450 1.00 0.74 H new ATOM 0 HB3 ARG A 86 15.713 22.765 -1.167 1.00 0.74 H new ATOM 0 HG2 ARG A 86 13.548 22.193 0.135 1.00 1.57 H new ATOM 0 HG3 ARG A 86 13.427 23.899 0.514 1.00 1.57 H new ATOM 0 HD2 ARG A 86 13.179 22.529 -2.173 1.00 1.73 H new ATOM 0 HD3 ARG A 86 12.180 23.796 -1.489 1.00 1.73 H new ATOM 0 HE ARG A 86 14.674 25.063 -1.786 1.00 0.63 H new ATOM 0 HH11 ARG A 86 12.515 23.167 -3.781 1.00 2.30 H new ATOM 0 HH12 ARG A 86 12.973 23.990 -5.276 1.00 2.30 H new ATOM 0 HH21 ARG A 86 15.262 26.111 -3.701 1.00 1.58 H new ATOM 0 HH22 ARG A 86 14.514 25.641 -5.231 1.00 1.58 H new ATOM 1310 N GLU A 87 14.232 22.993 2.640 1.00 0.70 N ATOM 1311 CA GLU A 87 13.607 23.629 3.830 1.00 0.74 C ATOM 1312 C GLU A 87 14.451 23.315 5.062 1.00 0.68 C ATOM 1313 O GLU A 87 14.429 24.041 6.036 1.00 0.68 O ATOM 1314 CB GLU A 87 12.168 23.125 4.015 1.00 0.83 C ATOM 1315 CG GLU A 87 11.272 23.757 2.949 1.00 1.11 C ATOM 1316 CD GLU A 87 9.825 23.302 3.153 1.00 1.33 C ATOM 1317 OE1 GLU A 87 9.392 23.264 4.295 1.00 0.80 O ATOM 1318 OE2 GLU A 87 9.174 22.997 2.169 1.00 2.33 O ATOM 0 H GLU A 87 13.717 22.211 2.236 1.00 0.70 H new ATOM 0 HA GLU A 87 13.566 24.709 3.687 1.00 0.74 H new ATOM 0 HB2 GLU A 87 12.138 22.038 3.935 1.00 0.83 H new ATOM 0 HB3 GLU A 87 11.805 23.381 5.010 1.00 0.83 H new ATOM 0 HG2 GLU A 87 11.333 24.844 3.007 1.00 1.11 H new ATOM 0 HG3 GLU A 87 11.616 23.471 1.955 1.00 1.11 H new ATOM 1325 N ALA A 88 15.238 22.269 5.021 1.00 0.63 N ATOM 1326 CA ALA A 88 16.108 21.975 6.188 1.00 0.58 C ATOM 1327 C ALA A 88 17.305 22.900 6.086 1.00 0.50 C ATOM 1328 O ALA A 88 17.681 23.563 7.024 1.00 0.50 O ATOM 1329 CB ALA A 88 16.592 20.528 6.143 1.00 0.57 C ATOM 0 H ALA A 88 15.312 21.617 4.240 1.00 0.63 H new ATOM 0 HA ALA A 88 15.559 22.122 7.118 1.00 0.58 H new ATOM 0 HB1 ALA A 88 17.228 20.330 7.006 1.00 0.57 H new ATOM 0 HB2 ALA A 88 15.734 19.856 6.163 1.00 0.57 H new ATOM 0 HB3 ALA A 88 17.160 20.363 5.228 1.00 0.57 H new ATOM 1335 N PHE A 89 17.889 22.977 4.930 1.00 0.44 N ATOM 1336 CA PHE A 89 19.040 23.886 4.767 1.00 0.37 C ATOM 1337 C PHE A 89 18.567 25.294 5.135 1.00 0.38 C ATOM 1338 O PHE A 89 19.350 26.140 5.520 1.00 0.38 O ATOM 1339 CB PHE A 89 19.554 23.837 3.318 1.00 0.37 C ATOM 1340 CG PHE A 89 20.534 22.685 3.150 1.00 0.32 C ATOM 1341 CD1 PHE A 89 21.771 22.715 3.813 1.00 0.21 C ATOM 1342 CD2 PHE A 89 20.204 21.578 2.341 1.00 0.37 C ATOM 1343 CE1 PHE A 89 22.660 21.656 3.660 1.00 0.16 C ATOM 1344 CE2 PHE A 89 21.121 20.512 2.201 1.00 0.31 C ATOM 1345 CZ PHE A 89 22.350 20.571 2.870 1.00 0.21 C ATOM 0 H PHE A 89 17.619 22.453 4.098 1.00 0.44 H new ATOM 0 HA PHE A 89 19.866 23.588 5.413 1.00 0.37 H new ATOM 0 HB2 PHE A 89 18.717 23.716 2.631 1.00 0.37 H new ATOM 0 HB3 PHE A 89 20.041 24.779 3.064 1.00 0.37 H new ATOM 0 HD1 PHE A 89 22.031 23.556 4.439 1.00 0.21 H new ATOM 0 HD2 PHE A 89 19.253 21.545 1.830 1.00 0.37 H new ATOM 0 HE1 PHE A 89 23.611 21.685 4.170 1.00 0.16 H new ATOM 0 HE2 PHE A 89 20.876 19.660 1.584 1.00 0.31 H new ATOM 0 HZ PHE A 89 23.058 19.762 2.766 1.00 0.21 H new ATOM 1355 N ARG A 90 17.281 25.543 5.059 1.00 0.37 N ATOM 1356 CA ARG A 90 16.773 26.884 5.452 1.00 0.37 C ATOM 1357 C ARG A 90 16.940 27.013 6.964 1.00 0.35 C ATOM 1358 O ARG A 90 17.466 27.986 7.467 1.00 0.31 O ATOM 1359 CB ARG A 90 15.293 27.014 5.072 1.00 0.44 C ATOM 1360 CG ARG A 90 14.892 28.494 5.070 1.00 0.45 C ATOM 1361 CD ARG A 90 13.456 28.645 4.562 1.00 0.62 C ATOM 1362 NE ARG A 90 13.231 30.049 4.124 1.00 1.11 N ATOM 1363 CZ ARG A 90 12.201 30.341 3.379 1.00 1.36 C ATOM 1364 NH1 ARG A 90 11.374 29.400 3.016 1.00 2.43 N ATOM 1365 NH2 ARG A 90 11.999 31.573 2.993 1.00 1.61 N ATOM 0 H ARG A 90 16.572 24.880 4.745 1.00 0.37 H new ATOM 0 HA ARG A 90 17.325 27.671 4.938 1.00 0.37 H new ATOM 0 HB2 ARG A 90 15.120 26.578 4.088 1.00 0.44 H new ATOM 0 HB3 ARG A 90 14.675 26.460 5.779 1.00 0.44 H new ATOM 0 HG2 ARG A 90 14.976 28.904 6.077 1.00 0.45 H new ATOM 0 HG3 ARG A 90 15.573 29.063 4.437 1.00 0.45 H new ATOM 0 HD2 ARG A 90 13.278 27.961 3.732 1.00 0.62 H new ATOM 0 HD3 ARG A 90 12.750 28.381 5.350 1.00 0.62 H new ATOM 0 HE ARG A 90 13.881 30.782 4.406 1.00 1.11 H new ATOM 0 HH11 ARG A 90 11.533 28.438 3.315 1.00 2.43 H new ATOM 0 HH12 ARG A 90 10.568 29.626 2.433 1.00 2.43 H new ATOM 0 HH21 ARG A 90 12.647 32.308 3.274 1.00 1.61 H new ATOM 0 HH22 ARG A 90 11.193 31.799 2.410 1.00 1.61 H new ATOM 1379 N VAL A 91 16.525 26.008 7.691 1.00 0.38 N ATOM 1380 CA VAL A 91 16.688 26.030 9.177 1.00 0.37 C ATOM 1381 C VAL A 91 18.146 26.375 9.477 1.00 0.32 C ATOM 1382 O VAL A 91 18.497 26.799 10.561 1.00 0.32 O ATOM 1383 CB VAL A 91 16.355 24.622 9.748 1.00 0.41 C ATOM 1384 CG1 VAL A 91 17.183 24.323 11.010 1.00 0.40 C ATOM 1385 CG2 VAL A 91 14.862 24.534 10.096 1.00 0.42 C ATOM 0 H VAL A 91 16.079 25.170 7.319 1.00 0.38 H new ATOM 0 HA VAL A 91 16.022 26.763 9.632 1.00 0.37 H new ATOM 0 HB VAL A 91 16.603 23.886 8.983 1.00 0.41 H new ATOM 0 HG11 VAL A 91 16.928 23.332 11.386 1.00 0.40 H new ATOM 0 HG12 VAL A 91 18.245 24.356 10.765 1.00 0.40 H new ATOM 0 HG13 VAL A 91 16.963 25.069 11.774 1.00 0.40 H new ATOM 0 HG21 VAL A 91 14.639 23.544 10.495 1.00 0.42 H new ATOM 0 HG22 VAL A 91 14.617 25.290 10.842 1.00 0.42 H new ATOM 0 HG23 VAL A 91 14.268 24.705 9.198 1.00 0.42 H new ATOM 1395 N PHE A 92 18.999 26.138 8.524 1.00 0.29 N ATOM 1396 CA PHE A 92 20.453 26.374 8.724 1.00 0.24 C ATOM 1397 C PHE A 92 20.898 27.706 8.114 1.00 0.23 C ATOM 1398 O PHE A 92 21.925 28.247 8.462 1.00 0.22 O ATOM 1399 CB PHE A 92 21.172 25.187 8.080 1.00 0.23 C ATOM 1400 CG PHE A 92 21.253 24.068 9.086 1.00 0.30 C ATOM 1401 CD1 PHE A 92 20.215 23.124 9.222 1.00 0.43 C ATOM 1402 CD2 PHE A 92 22.371 24.004 9.903 1.00 0.28 C ATOM 1403 CE1 PHE A 92 20.309 22.124 10.186 1.00 0.53 C ATOM 1404 CE2 PHE A 92 22.471 22.990 10.869 1.00 0.41 C ATOM 1405 CZ PHE A 92 21.431 22.053 11.008 1.00 0.52 C ATOM 0 H PHE A 92 18.747 25.785 7.601 1.00 0.29 H new ATOM 0 HA PHE A 92 20.695 26.446 9.784 1.00 0.24 H new ATOM 0 HB2 PHE A 92 20.635 24.857 7.190 1.00 0.23 H new ATOM 0 HB3 PHE A 92 22.172 25.480 7.759 1.00 0.23 H new ATOM 0 HD1 PHE A 92 19.348 23.176 8.580 1.00 0.43 H new ATOM 0 HD2 PHE A 92 23.162 24.731 9.797 1.00 0.28 H new ATOM 0 HE1 PHE A 92 19.512 21.403 10.296 1.00 0.53 H new ATOM 0 HE2 PHE A 92 23.343 22.930 11.503 1.00 0.41 H new ATOM 0 HZ PHE A 92 21.503 21.276 11.755 1.00 0.52 H new ATOM 1415 N ASP A 93 20.117 28.245 7.239 1.00 0.36 N ATOM 1416 CA ASP A 93 20.443 29.564 6.601 1.00 0.39 C ATOM 1417 C ASP A 93 19.214 30.477 6.667 1.00 1.39 C ATOM 1418 O ASP A 93 18.638 30.824 5.655 1.00 1.98 O ATOM 1419 CB ASP A 93 20.830 29.330 5.134 1.00 1.20 C ATOM 1420 CG ASP A 93 20.909 30.665 4.390 1.00 1.17 C ATOM 1421 OD1 ASP A 93 21.823 31.422 4.666 1.00 1.57 O ATOM 1422 OD2 ASP A 93 20.051 30.903 3.556 1.00 1.42 O ATOM 0 H ASP A 93 19.242 27.828 6.922 1.00 0.36 H new ATOM 0 HA ASP A 93 21.273 30.035 7.128 1.00 0.39 H new ATOM 0 HB2 ASP A 93 21.791 28.818 5.081 1.00 1.20 H new ATOM 0 HB3 ASP A 93 20.096 28.681 4.656 1.00 1.20 H new ATOM 1489 N TYR A 99 24.051 31.796 3.051 1.00 1.20 N ATOM 1490 CA TYR A 99 24.983 30.647 2.811 1.00 0.60 C ATOM 1491 C TYR A 99 25.365 30.047 4.165 1.00 0.44 C ATOM 1492 O TYR A 99 25.169 30.662 5.194 1.00 0.54 O ATOM 1493 CB TYR A 99 26.260 31.158 2.125 1.00 0.43 C ATOM 1494 CG TYR A 99 26.001 31.460 0.662 1.00 0.37 C ATOM 1495 CD1 TYR A 99 25.246 32.580 0.300 1.00 0.94 C ATOM 1496 CD2 TYR A 99 26.529 30.627 -0.331 1.00 0.82 C ATOM 1497 CE1 TYR A 99 25.016 32.867 -1.050 1.00 1.02 C ATOM 1498 CE2 TYR A 99 26.299 30.912 -1.682 1.00 0.72 C ATOM 1499 CZ TYR A 99 25.543 32.033 -2.041 1.00 0.37 C ATOM 1500 OH TYR A 99 25.316 32.313 -3.374 1.00 0.42 O ATOM 0 HA TYR A 99 24.499 29.902 2.179 1.00 0.60 H new ATOM 0 HB2 TYR A 99 26.614 32.057 2.629 1.00 0.43 H new ATOM 0 HB3 TYR A 99 27.049 30.411 2.213 1.00 0.43 H new ATOM 0 HD1 TYR A 99 24.839 33.225 1.065 1.00 0.94 H new ATOM 0 HD2 TYR A 99 27.115 29.763 -0.054 1.00 0.82 H new ATOM 0 HE1 TYR A 99 24.432 33.732 -1.326 1.00 1.02 H new ATOM 0 HE2 TYR A 99 26.705 30.267 -2.447 1.00 0.72 H new ATOM 0 HH TYR A 99 25.753 31.635 -3.930 1.00 0.42 H new ATOM 1510 N ILE A 100 25.941 28.866 4.180 1.00 0.27 N ATOM 1511 CA ILE A 100 26.372 28.252 5.485 1.00 0.21 C ATOM 1512 C ILE A 100 27.748 27.607 5.300 1.00 0.14 C ATOM 1513 O ILE A 100 28.185 27.360 4.193 1.00 0.07 O ATOM 1514 CB ILE A 100 25.372 27.178 5.976 1.00 0.16 C ATOM 1515 CG1 ILE A 100 25.137 26.132 4.869 1.00 0.05 C ATOM 1516 CG2 ILE A 100 24.027 27.824 6.406 1.00 0.30 C ATOM 1517 CD1 ILE A 100 24.177 25.038 5.365 1.00 0.09 C ATOM 0 H ILE A 100 26.131 28.302 3.352 1.00 0.27 H new ATOM 0 HA ILE A 100 26.410 29.043 6.234 1.00 0.21 H new ATOM 0 HB ILE A 100 25.800 26.683 6.848 1.00 0.16 H new ATOM 0 HG12 ILE A 100 24.723 26.615 3.984 1.00 0.05 H new ATOM 0 HG13 ILE A 100 26.086 25.686 4.573 1.00 0.05 H new ATOM 0 HG21 ILE A 100 23.343 27.047 6.747 1.00 0.30 H new ATOM 0 HG22 ILE A 100 24.206 28.531 7.216 1.00 0.30 H new ATOM 0 HG23 ILE A 100 23.587 28.348 5.557 1.00 0.30 H new ATOM 0 HD11 ILE A 100 24.020 24.306 4.573 1.00 0.09 H new ATOM 0 HD12 ILE A 100 24.607 24.544 6.236 1.00 0.09 H new ATOM 0 HD13 ILE A 100 23.222 25.488 5.638 1.00 0.09 H new ATOM 1529 N SER A 101 28.436 27.334 6.377 1.00 0.19 N ATOM 1530 CA SER A 101 29.789 26.713 6.261 1.00 0.21 C ATOM 1531 C SER A 101 29.649 25.207 6.020 1.00 0.18 C ATOM 1532 O SER A 101 28.757 24.564 6.535 1.00 0.15 O ATOM 1533 CB SER A 101 30.577 26.961 7.549 1.00 0.28 C ATOM 1534 OG SER A 101 29.933 26.301 8.631 1.00 0.30 O ATOM 0 H SER A 101 28.121 27.514 7.330 1.00 0.19 H new ATOM 0 HA SER A 101 30.321 27.160 5.421 1.00 0.21 H new ATOM 0 HB2 SER A 101 31.598 26.594 7.440 1.00 0.28 H new ATOM 0 HB3 SER A 101 30.642 28.031 7.748 1.00 0.28 H new ATOM 0 HG SER A 101 30.437 26.458 9.457 1.00 0.30 H new ATOM 1540 N ALA A 102 30.532 24.650 5.228 1.00 0.20 N ATOM 1541 CA ALA A 102 30.476 23.185 4.923 1.00 0.19 C ATOM 1542 C ALA A 102 30.115 22.384 6.176 1.00 0.16 C ATOM 1543 O ALA A 102 29.480 21.356 6.099 1.00 0.16 O ATOM 1544 CB ALA A 102 31.846 22.733 4.419 1.00 0.23 C ATOM 0 H ALA A 102 31.296 25.152 4.775 1.00 0.20 H new ATOM 0 HA ALA A 102 29.712 23.011 4.165 1.00 0.19 H new ATOM 0 HB1 ALA A 102 31.817 21.667 4.194 1.00 0.23 H new ATOM 0 HB2 ALA A 102 32.103 23.288 3.517 1.00 0.23 H new ATOM 0 HB3 ALA A 102 32.596 22.921 5.187 1.00 0.23 H new ATOM 1550 N ALA A 103 30.517 22.843 7.325 1.00 0.14 N ATOM 1551 CA ALA A 103 30.186 22.096 8.570 1.00 0.14 C ATOM 1552 C ALA A 103 28.674 22.084 8.746 1.00 0.15 C ATOM 1553 O ALA A 103 28.037 21.048 8.720 1.00 0.20 O ATOM 1554 CB ALA A 103 30.843 22.776 9.773 1.00 0.16 C ATOM 0 H ALA A 103 31.057 23.698 7.458 1.00 0.14 H new ATOM 0 HA ALA A 103 30.558 21.074 8.498 1.00 0.14 H new ATOM 0 HB1 ALA A 103 30.598 22.225 10.681 1.00 0.16 H new ATOM 0 HB2 ALA A 103 31.924 22.789 9.638 1.00 0.16 H new ATOM 0 HB3 ALA A 103 30.476 23.799 9.858 1.00 0.16 H new ATOM 1560 N GLU A 104 28.098 23.232 8.906 1.00 0.13 N ATOM 1561 CA GLU A 104 26.622 23.316 9.067 1.00 0.15 C ATOM 1562 C GLU A 104 25.962 22.560 7.907 1.00 0.15 C ATOM 1563 O GLU A 104 24.889 22.008 8.045 1.00 0.18 O ATOM 1564 CB GLU A 104 26.203 24.793 9.037 1.00 0.19 C ATOM 1565 CG GLU A 104 26.282 25.393 10.445 1.00 0.56 C ATOM 1566 CD GLU A 104 26.235 26.919 10.351 1.00 0.44 C ATOM 1567 OE1 GLU A 104 26.908 27.461 9.487 1.00 0.32 O ATOM 1568 OE2 GLU A 104 25.528 27.520 11.144 1.00 0.54 O ATOM 0 H GLU A 104 28.587 24.127 8.933 1.00 0.13 H new ATOM 0 HA GLU A 104 26.312 22.874 10.014 1.00 0.15 H new ATOM 0 HB2 GLU A 104 26.851 25.349 8.360 1.00 0.19 H new ATOM 0 HB3 GLU A 104 25.187 24.883 8.652 1.00 0.19 H new ATOM 0 HG2 GLU A 104 25.454 25.030 11.054 1.00 0.56 H new ATOM 0 HG3 GLU A 104 27.202 25.076 10.936 1.00 0.56 H new ATOM 1575 N LEU A 105 26.604 22.523 6.769 1.00 0.12 N ATOM 1576 CA LEU A 105 26.018 21.794 5.610 1.00 0.13 C ATOM 1577 C LEU A 105 26.087 20.298 5.896 1.00 0.12 C ATOM 1578 O LEU A 105 25.110 19.587 5.776 1.00 0.15 O ATOM 1579 CB LEU A 105 26.813 22.118 4.337 1.00 0.13 C ATOM 1580 CG LEU A 105 26.214 21.370 3.093 1.00 0.12 C ATOM 1581 CD1 LEU A 105 25.536 22.326 2.085 1.00 0.08 C ATOM 1582 CD2 LEU A 105 27.319 20.619 2.353 1.00 0.15 C ATOM 0 H LEU A 105 27.506 22.965 6.594 1.00 0.12 H new ATOM 0 HA LEU A 105 24.982 22.098 5.462 1.00 0.13 H new ATOM 0 HB2 LEU A 105 26.800 23.193 4.160 1.00 0.13 H new ATOM 0 HB3 LEU A 105 27.855 21.830 4.472 1.00 0.13 H new ATOM 0 HG LEU A 105 25.459 20.687 3.483 1.00 0.12 H new ATOM 0 HD11 LEU A 105 25.141 21.751 1.247 1.00 0.08 H new ATOM 0 HD12 LEU A 105 24.721 22.856 2.578 1.00 0.08 H new ATOM 0 HD13 LEU A 105 26.267 23.046 1.718 1.00 0.08 H new ATOM 0 HD21 LEU A 105 26.895 20.103 1.492 1.00 0.15 H new ATOM 0 HD22 LEU A 105 28.076 21.326 2.015 1.00 0.15 H new ATOM 0 HD23 LEU A 105 27.776 19.891 3.023 1.00 0.15 H new ATOM 1594 N ARG A 106 27.229 19.818 6.289 1.00 0.12 N ATOM 1595 CA ARG A 106 27.348 18.373 6.598 1.00 0.14 C ATOM 1596 C ARG A 106 26.396 18.065 7.748 1.00 0.17 C ATOM 1597 O ARG A 106 25.841 16.993 7.839 1.00 0.17 O ATOM 1598 CB ARG A 106 28.794 18.050 7.013 1.00 0.18 C ATOM 1599 CG ARG A 106 29.651 17.774 5.767 1.00 0.79 C ATOM 1600 CD ARG A 106 31.159 17.747 6.129 1.00 0.74 C ATOM 1601 NE ARG A 106 31.799 16.491 5.601 1.00 1.55 N ATOM 1602 CZ ARG A 106 31.329 15.305 5.891 1.00 2.05 C ATOM 1603 NH1 ARG A 106 30.346 15.174 6.737 1.00 2.27 N ATOM 1604 NH2 ARG A 106 31.867 14.244 5.355 1.00 2.89 N ATOM 0 H ARG A 106 28.083 20.363 6.409 1.00 0.12 H new ATOM 0 HA ARG A 106 27.097 17.771 5.725 1.00 0.14 H new ATOM 0 HB2 ARG A 106 29.214 18.884 7.576 1.00 0.18 H new ATOM 0 HB3 ARG A 106 28.806 17.182 7.672 1.00 0.18 H new ATOM 0 HG2 ARG A 106 29.362 16.820 5.325 1.00 0.79 H new ATOM 0 HG3 ARG A 106 29.467 18.542 5.016 1.00 0.79 H new ATOM 0 HD2 ARG A 106 31.657 18.621 5.709 1.00 0.74 H new ATOM 0 HD3 ARG A 106 31.282 17.799 7.211 1.00 0.74 H new ATOM 0 HE ARG A 106 32.621 16.567 5.001 1.00 1.55 H new ATOM 0 HH11 ARG A 106 29.939 15.999 7.177 1.00 2.27 H new ATOM 0 HH12 ARG A 106 29.984 14.246 6.959 1.00 2.27 H new ATOM 0 HH21 ARG A 106 32.652 14.340 4.711 1.00 2.89 H new ATOM 0 HH22 ARG A 106 31.502 13.318 5.580 1.00 2.89 H new ATOM 1618 N HIS A 107 26.207 19.015 8.623 1.00 0.19 N ATOM 1619 CA HIS A 107 25.293 18.797 9.768 1.00 0.25 C ATOM 1620 C HIS A 107 23.849 18.761 9.261 1.00 0.25 C ATOM 1621 O HIS A 107 23.066 17.927 9.665 1.00 0.31 O ATOM 1622 CB HIS A 107 25.474 19.942 10.771 1.00 0.26 C ATOM 1623 CG HIS A 107 24.965 19.513 12.116 1.00 0.35 C ATOM 1624 ND1 HIS A 107 25.444 18.383 12.764 1.00 0.72 N ATOM 1625 CD2 HIS A 107 24.018 20.047 12.944 1.00 0.23 C ATOM 1626 CE1 HIS A 107 24.784 18.278 13.931 1.00 0.70 C ATOM 1627 NE2 HIS A 107 23.903 19.268 14.091 1.00 0.37 N ATOM 0 H HIS A 107 26.650 19.933 8.590 1.00 0.19 H new ATOM 0 HA HIS A 107 25.519 17.850 10.257 1.00 0.25 H new ATOM 0 HB2 HIS A 107 26.527 20.217 10.839 1.00 0.26 H new ATOM 0 HB3 HIS A 107 24.935 20.826 10.431 1.00 0.26 H new ATOM 0 HD2 HIS A 107 23.445 20.939 12.739 1.00 0.23 H new ATOM 0 HE1 HIS A 107 24.947 17.489 14.651 1.00 0.70 H new ATOM 0 HE2 HIS A 107 23.280 19.421 14.884 1.00 0.37 H new ATOM 1635 N VAL A 108 23.491 19.644 8.368 1.00 0.20 N ATOM 1636 CA VAL A 108 22.102 19.626 7.840 1.00 0.22 C ATOM 1637 C VAL A 108 21.819 18.227 7.301 1.00 0.24 C ATOM 1638 O VAL A 108 20.733 17.701 7.434 1.00 0.25 O ATOM 1639 CB VAL A 108 21.960 20.605 6.663 1.00 0.20 C ATOM 1640 CG1 VAL A 108 20.556 20.449 6.036 1.00 0.23 C ATOM 1641 CG2 VAL A 108 22.171 22.055 7.143 1.00 0.20 C ATOM 0 H VAL A 108 24.096 20.370 7.986 1.00 0.20 H new ATOM 0 HA VAL A 108 21.415 19.906 8.639 1.00 0.22 H new ATOM 0 HB VAL A 108 22.718 20.379 5.914 1.00 0.20 H new ATOM 0 HG11 VAL A 108 20.451 21.142 5.201 1.00 0.23 H new ATOM 0 HG12 VAL A 108 20.429 19.427 5.678 1.00 0.23 H new ATOM 0 HG13 VAL A 108 19.796 20.668 6.786 1.00 0.23 H new ATOM 0 HG21 VAL A 108 22.067 22.736 6.299 1.00 0.20 H new ATOM 0 HG22 VAL A 108 21.426 22.300 7.900 1.00 0.20 H new ATOM 0 HG23 VAL A 108 23.169 22.155 7.570 1.00 0.20 H new ATOM 1651 N MET A 109 22.796 17.643 6.646 1.00 0.23 N ATOM 1652 CA MET A 109 22.591 16.302 6.040 1.00 0.24 C ATOM 1653 C MET A 109 22.528 15.210 7.123 1.00 0.29 C ATOM 1654 O MET A 109 21.875 14.200 6.946 1.00 0.33 O ATOM 1655 CB MET A 109 23.739 16.000 5.061 1.00 0.19 C ATOM 1656 CG MET A 109 23.852 17.120 4.015 1.00 0.15 C ATOM 1657 SD MET A 109 25.514 17.107 3.298 1.00 0.06 S ATOM 1658 CE MET A 109 25.161 15.999 1.911 1.00 0.09 C ATOM 0 H MET A 109 23.724 18.043 6.509 1.00 0.23 H new ATOM 0 HA MET A 109 21.641 16.306 5.505 1.00 0.24 H new ATOM 0 HB2 MET A 109 24.678 15.906 5.607 1.00 0.19 H new ATOM 0 HB3 MET A 109 23.562 15.046 4.565 1.00 0.19 H new ATOM 0 HG2 MET A 109 23.106 16.979 3.233 1.00 0.15 H new ATOM 0 HG3 MET A 109 23.651 18.086 4.477 1.00 0.15 H new ATOM 0 HE1 MET A 109 26.063 15.865 1.314 1.00 0.09 H new ATOM 0 HE2 MET A 109 24.831 15.033 2.292 1.00 0.09 H new ATOM 0 HE3 MET A 109 24.376 16.432 1.290 1.00 0.09 H new ATOM 1668 N THR A 110 23.211 15.380 8.234 1.00 0.30 N ATOM 1669 CA THR A 110 23.194 14.337 9.293 1.00 0.35 C ATOM 1670 C THR A 110 21.974 14.528 10.216 1.00 0.38 C ATOM 1671 O THR A 110 21.298 13.580 10.563 1.00 0.45 O ATOM 1672 CB THR A 110 24.513 14.463 10.094 1.00 0.35 C ATOM 1673 OG1 THR A 110 25.268 15.541 9.568 1.00 0.31 O ATOM 1674 CG2 THR A 110 25.341 13.180 9.979 1.00 0.37 C ATOM 0 H THR A 110 23.778 16.201 8.446 1.00 0.30 H new ATOM 0 HA THR A 110 23.115 13.344 8.851 1.00 0.35 H new ATOM 0 HB THR A 110 24.272 14.636 11.143 1.00 0.35 H new ATOM 0 HG1 THR A 110 25.500 15.353 8.635 1.00 0.31 H new ATOM 0 HG21 THR A 110 26.263 13.290 10.549 1.00 0.37 H new ATOM 0 HG22 THR A 110 24.768 12.341 10.374 1.00 0.37 H new ATOM 0 HG23 THR A 110 25.581 12.995 8.932 1.00 0.37 H new ATOM 1682 N ASN A 111 21.703 15.739 10.627 1.00 0.33 N ATOM 1683 CA ASN A 111 20.548 15.975 11.539 1.00 0.36 C ATOM 1684 C ASN A 111 19.259 15.472 10.898 1.00 0.35 C ATOM 1685 O ASN A 111 18.344 15.039 11.567 1.00 0.37 O ATOM 1686 CB ASN A 111 20.432 17.475 11.832 1.00 0.39 C ATOM 1687 CG ASN A 111 19.158 17.747 12.636 1.00 1.15 C ATOM 1688 OD1 ASN A 111 19.147 17.615 13.843 1.00 0.87 O ATOM 1689 ND2 ASN A 111 18.075 18.127 12.012 1.00 2.88 N ATOM 0 H ASN A 111 22.231 16.573 10.370 1.00 0.33 H new ATOM 0 HA ASN A 111 20.710 15.432 12.470 1.00 0.36 H new ATOM 0 HB2 ASN A 111 21.305 17.815 12.389 1.00 0.39 H new ATOM 0 HB3 ASN A 111 20.411 18.037 10.898 1.00 0.39 H new ATOM 0 HD21 ASN A 111 17.221 18.312 12.539 1.00 2.88 H new ATOM 0 HD22 ASN A 111 18.083 18.238 10.998 1.00 2.88 H new ATOM 1696 N LEU A 112 19.177 15.542 9.608 1.00 0.34 N ATOM 1697 CA LEU A 112 17.937 15.086 8.914 1.00 0.34 C ATOM 1698 C LEU A 112 17.679 13.612 9.211 1.00 0.34 C ATOM 1699 O LEU A 112 16.560 13.141 9.179 1.00 0.36 O ATOM 1700 CB LEU A 112 18.085 15.304 7.394 1.00 0.34 C ATOM 1701 CG LEU A 112 17.558 16.699 7.007 1.00 0.36 C ATOM 1702 CD1 LEU A 112 18.175 17.148 5.675 1.00 0.17 C ATOM 1703 CD2 LEU A 112 16.023 16.663 6.868 1.00 0.56 C ATOM 0 H LEU A 112 19.913 15.895 8.996 1.00 0.34 H new ATOM 0 HA LEU A 112 17.090 15.667 9.278 1.00 0.34 H new ATOM 0 HB2 LEU A 112 19.132 15.209 7.105 1.00 0.34 H new ATOM 0 HB3 LEU A 112 17.534 14.535 6.853 1.00 0.34 H new ATOM 0 HG LEU A 112 17.837 17.404 7.790 1.00 0.36 H new ATOM 0 HD11 LEU A 112 17.795 18.135 5.412 1.00 0.17 H new ATOM 0 HD12 LEU A 112 19.260 17.191 5.773 1.00 0.17 H new ATOM 0 HD13 LEU A 112 17.909 16.437 4.893 1.00 0.17 H new ATOM 0 HD21 LEU A 112 15.659 17.653 6.594 1.00 0.56 H new ATOM 0 HD22 LEU A 112 15.744 15.947 6.094 1.00 0.56 H new ATOM 0 HD23 LEU A 112 15.579 16.363 7.817 1.00 0.56 H new ATOM 1715 N GLY A 113 18.706 12.900 9.492 1.00 0.34 N ATOM 1716 CA GLY A 113 18.565 11.445 9.799 1.00 0.36 C ATOM 1717 C GLY A 113 18.625 10.639 8.500 1.00 0.31 C ATOM 1718 O GLY A 113 18.008 9.600 8.374 1.00 0.41 O ATOM 0 H GLY A 113 19.662 13.255 9.527 1.00 0.34 H new ATOM 0 HA2 GLY A 113 19.360 11.127 10.474 1.00 0.36 H new ATOM 0 HA3 GLY A 113 17.620 11.261 10.310 1.00 0.36 H new ATOM 1722 N GLU A 114 19.367 11.107 7.533 1.00 0.22 N ATOM 1723 CA GLU A 114 19.469 10.370 6.250 1.00 0.31 C ATOM 1724 C GLU A 114 20.468 9.211 6.421 1.00 0.22 C ATOM 1725 O GLU A 114 21.464 9.349 7.104 1.00 0.34 O ATOM 1726 CB GLU A 114 19.974 11.335 5.172 1.00 0.40 C ATOM 1727 CG GLU A 114 18.877 12.348 4.831 1.00 0.49 C ATOM 1728 CD GLU A 114 19.485 13.524 4.068 1.00 1.67 C ATOM 1729 OE1 GLU A 114 19.872 13.328 2.928 1.00 2.08 O ATOM 1730 OE2 GLU A 114 19.551 14.603 4.636 1.00 2.54 O ATOM 0 H GLU A 114 19.907 11.971 7.581 1.00 0.22 H new ATOM 0 HA GLU A 114 18.497 9.971 5.959 1.00 0.31 H new ATOM 0 HB2 GLU A 114 20.865 11.854 5.524 1.00 0.40 H new ATOM 0 HB3 GLU A 114 20.260 10.780 4.279 1.00 0.40 H new ATOM 0 HG2 GLU A 114 18.103 11.872 4.229 1.00 0.49 H new ATOM 0 HG3 GLU A 114 18.398 12.702 5.744 1.00 0.49 H new ATOM 1737 N LYS A 115 20.217 8.064 5.828 1.00 0.15 N ATOM 1738 CA LYS A 115 21.163 6.921 5.991 1.00 0.09 C ATOM 1739 C LYS A 115 22.350 7.097 5.056 1.00 0.17 C ATOM 1740 O LYS A 115 22.856 6.160 4.473 1.00 0.24 O ATOM 1741 CB LYS A 115 20.447 5.616 5.662 1.00 0.20 C ATOM 1742 CG LYS A 115 19.565 5.190 6.843 1.00 0.26 C ATOM 1743 CD LYS A 115 18.783 3.930 6.466 1.00 0.46 C ATOM 1744 CE LYS A 115 17.657 3.708 7.478 1.00 1.19 C ATOM 1745 NZ LYS A 115 16.697 4.844 7.407 1.00 2.26 N ATOM 0 H LYS A 115 19.403 7.875 5.243 1.00 0.15 H new ATOM 0 HA LYS A 115 21.517 6.893 7.021 1.00 0.09 H new ATOM 0 HB2 LYS A 115 19.836 5.742 4.768 1.00 0.20 H new ATOM 0 HB3 LYS A 115 21.177 4.837 5.442 1.00 0.20 H new ATOM 0 HG2 LYS A 115 20.182 4.999 7.721 1.00 0.26 H new ATOM 0 HG3 LYS A 115 18.877 5.993 7.105 1.00 0.26 H new ATOM 0 HD2 LYS A 115 18.370 4.032 5.462 1.00 0.46 H new ATOM 0 HD3 LYS A 115 19.448 3.067 6.451 1.00 0.46 H new ATOM 0 HE2 LYS A 115 17.144 2.770 7.267 1.00 1.19 H new ATOM 0 HE3 LYS A 115 18.068 3.627 8.484 1.00 1.19 H new ATOM 0 HZ1 LYS A 115 15.748 4.514 7.676 1.00 2.26 H new ATOM 0 HZ2 LYS A 115 17.000 5.596 8.059 1.00 2.26 H new ATOM 0 HZ3 LYS A 115 16.672 5.217 6.436 1.00 2.26 H new ATOM 1759 N LEU A 116 22.792 8.300 4.926 1.00 0.27 N ATOM 1760 CA LEU A 116 23.963 8.588 4.042 1.00 0.37 C ATOM 1761 C LEU A 116 25.249 8.430 4.851 1.00 0.34 C ATOM 1762 O LEU A 116 25.334 8.851 5.987 1.00 0.35 O ATOM 1763 CB LEU A 116 23.869 10.020 3.500 1.00 0.49 C ATOM 1764 CG LEU A 116 22.633 10.156 2.592 1.00 1.39 C ATOM 1765 CD1 LEU A 116 22.264 11.635 2.449 1.00 1.78 C ATOM 1766 CD2 LEU A 116 22.925 9.575 1.199 1.00 1.92 C ATOM 0 H LEU A 116 22.396 9.115 5.395 1.00 0.27 H new ATOM 0 HA LEU A 116 23.966 7.892 3.203 1.00 0.37 H new ATOM 0 HB2 LEU A 116 23.804 10.728 4.327 1.00 0.49 H new ATOM 0 HB3 LEU A 116 24.771 10.266 2.940 1.00 0.49 H new ATOM 0 HG LEU A 116 21.806 9.607 3.043 1.00 1.39 H new ATOM 0 HD11 LEU A 116 21.389 11.731 1.806 1.00 1.78 H new ATOM 0 HD12 LEU A 116 22.040 12.051 3.431 1.00 1.78 H new ATOM 0 HD13 LEU A 116 23.100 12.178 2.007 1.00 1.78 H new ATOM 0 HD21 LEU A 116 22.042 9.679 0.569 1.00 1.92 H new ATOM 0 HD22 LEU A 116 23.758 10.114 0.747 1.00 1.92 H new ATOM 0 HD23 LEU A 116 23.183 8.520 1.292 1.00 1.92 H new ATOM 1778 N THR A 117 26.252 7.818 4.280 1.00 0.33 N ATOM 1779 CA THR A 117 27.533 7.625 5.024 1.00 0.30 C ATOM 1780 C THR A 117 28.451 8.823 4.787 1.00 0.32 C ATOM 1781 O THR A 117 28.469 9.407 3.721 1.00 0.34 O ATOM 1782 CB THR A 117 28.227 6.352 4.533 1.00 0.23 C ATOM 1783 OG1 THR A 117 28.482 6.461 3.140 1.00 0.22 O ATOM 1784 CG2 THR A 117 27.328 5.141 4.798 1.00 0.24 C ATOM 0 H THR A 117 26.241 7.443 3.331 1.00 0.33 H new ATOM 0 HA THR A 117 27.318 7.536 6.089 1.00 0.30 H new ATOM 0 HB THR A 117 29.169 6.223 5.066 1.00 0.23 H new ATOM 0 HG1 THR A 117 27.648 6.328 2.643 1.00 0.22 H new ATOM 0 HG21 THR A 117 27.824 4.236 4.448 1.00 0.24 H new ATOM 0 HG22 THR A 117 27.135 5.058 5.868 1.00 0.24 H new ATOM 0 HG23 THR A 117 26.384 5.266 4.268 1.00 0.24 H new ATOM 1792 N ASP A 118 29.214 9.190 5.776 1.00 0.33 N ATOM 1793 CA ASP A 118 30.135 10.349 5.617 1.00 0.35 C ATOM 1794 C ASP A 118 30.983 10.162 4.354 1.00 0.30 C ATOM 1795 O ASP A 118 31.535 11.102 3.822 1.00 0.23 O ATOM 1796 CB ASP A 118 31.052 10.439 6.839 1.00 0.37 C ATOM 1797 CG ASP A 118 30.211 10.716 8.087 1.00 0.44 C ATOM 1798 OD1 ASP A 118 29.300 9.946 8.347 1.00 1.21 O ATOM 1799 OD2 ASP A 118 30.491 11.695 8.760 1.00 0.96 O ATOM 0 H ASP A 118 29.240 8.737 6.690 1.00 0.33 H new ATOM 0 HA ASP A 118 29.553 11.266 5.528 1.00 0.35 H new ATOM 0 HB2 ASP A 118 31.607 9.509 6.960 1.00 0.37 H new ATOM 0 HB3 ASP A 118 31.786 11.232 6.699 1.00 0.37 H new ATOM 1804 N GLU A 119 31.090 8.953 3.871 1.00 0.34 N ATOM 1805 CA GLU A 119 31.908 8.713 2.639 1.00 0.30 C ATOM 1806 C GLU A 119 31.161 9.263 1.419 1.00 0.30 C ATOM 1807 O GLU A 119 31.686 10.059 0.667 1.00 0.25 O ATOM 1808 CB GLU A 119 32.166 7.205 2.448 1.00 0.31 C ATOM 1809 CG GLU A 119 33.351 6.764 3.316 1.00 0.25 C ATOM 1810 CD GLU A 119 33.476 5.241 3.277 1.00 1.34 C ATOM 1811 OE1 GLU A 119 33.380 4.688 2.194 1.00 2.51 O ATOM 1812 OE2 GLU A 119 33.665 4.654 4.330 1.00 1.38 O ATOM 0 H GLU A 119 30.651 8.124 4.271 1.00 0.34 H new ATOM 0 HA GLU A 119 32.866 9.221 2.747 1.00 0.30 H new ATOM 0 HB2 GLU A 119 31.275 6.638 2.718 1.00 0.31 H new ATOM 0 HB3 GLU A 119 32.373 6.993 1.399 1.00 0.31 H new ATOM 0 HG2 GLU A 119 34.271 7.224 2.954 1.00 0.25 H new ATOM 0 HG3 GLU A 119 33.208 7.101 4.343 1.00 0.25 H new ATOM 1819 N GLU A 120 29.944 8.844 1.215 1.00 0.38 N ATOM 1820 CA GLU A 120 29.174 9.347 0.042 1.00 0.39 C ATOM 1821 C GLU A 120 29.244 10.875 0.011 1.00 0.37 C ATOM 1822 O GLU A 120 29.277 11.484 -1.037 1.00 0.37 O ATOM 1823 CB GLU A 120 27.714 8.895 0.154 1.00 0.46 C ATOM 1824 CG GLU A 120 27.595 7.420 -0.252 1.00 0.49 C ATOM 1825 CD GLU A 120 26.246 6.871 0.213 1.00 0.40 C ATOM 1826 OE1 GLU A 120 26.136 6.525 1.377 1.00 0.51 O ATOM 1827 OE2 GLU A 120 25.343 6.802 -0.606 1.00 0.55 O ATOM 0 H GLU A 120 29.449 8.177 1.807 1.00 0.38 H new ATOM 0 HA GLU A 120 29.601 8.946 -0.877 1.00 0.39 H new ATOM 0 HB2 GLU A 120 27.359 9.030 1.176 1.00 0.46 H new ATOM 0 HB3 GLU A 120 27.083 9.510 -0.487 1.00 0.46 H new ATOM 0 HG2 GLU A 120 27.687 7.321 -1.334 1.00 0.49 H new ATOM 0 HG3 GLU A 120 28.407 6.843 0.191 1.00 0.49 H new ATOM 1834 N VAL A 121 29.269 11.495 1.156 1.00 0.36 N ATOM 1835 CA VAL A 121 29.343 12.982 1.203 1.00 0.33 C ATOM 1836 C VAL A 121 30.719 13.443 0.723 1.00 0.31 C ATOM 1837 O VAL A 121 30.841 14.346 -0.079 1.00 0.38 O ATOM 1838 CB VAL A 121 29.120 13.453 2.640 1.00 0.32 C ATOM 1839 CG1 VAL A 121 29.211 14.979 2.696 1.00 0.46 C ATOM 1840 CG2 VAL A 121 27.732 13.007 3.110 1.00 0.36 C ATOM 0 H VAL A 121 29.241 11.035 2.066 1.00 0.36 H new ATOM 0 HA VAL A 121 28.575 13.405 0.555 1.00 0.33 H new ATOM 0 HB VAL A 121 29.882 13.020 3.289 1.00 0.32 H new ATOM 0 HG11 VAL A 121 29.052 15.316 3.720 1.00 0.46 H new ATOM 0 HG12 VAL A 121 30.197 15.297 2.358 1.00 0.46 H new ATOM 0 HG13 VAL A 121 28.449 15.413 2.049 1.00 0.46 H new ATOM 0 HG21 VAL A 121 27.570 13.341 4.135 1.00 0.36 H new ATOM 0 HG22 VAL A 121 26.971 13.442 2.462 1.00 0.36 H new ATOM 0 HG23 VAL A 121 27.666 11.920 3.068 1.00 0.36 H new ATOM 1850 N ASP A 122 31.750 12.821 1.211 1.00 0.22 N ATOM 1851 CA ASP A 122 33.131 13.208 0.791 1.00 0.18 C ATOM 1852 C ASP A 122 33.190 13.327 -0.734 1.00 0.20 C ATOM 1853 O ASP A 122 33.903 14.150 -1.273 1.00 0.17 O ATOM 1854 CB ASP A 122 34.125 12.139 1.259 1.00 0.20 C ATOM 1855 CG ASP A 122 34.347 12.272 2.768 1.00 0.20 C ATOM 1856 OD1 ASP A 122 33.383 12.542 3.465 1.00 1.01 O ATOM 1857 OD2 ASP A 122 35.476 12.098 3.198 1.00 1.16 O ATOM 0 H ASP A 122 31.701 12.058 1.886 1.00 0.22 H new ATOM 0 HA ASP A 122 33.390 14.168 1.239 1.00 0.18 H new ATOM 0 HB2 ASP A 122 33.744 11.145 1.023 1.00 0.20 H new ATOM 0 HB3 ASP A 122 35.072 12.251 0.730 1.00 0.20 H new ATOM 1862 N GLU A 123 32.438 12.519 -1.433 1.00 0.25 N ATOM 1863 CA GLU A 123 32.444 12.594 -2.916 1.00 0.28 C ATOM 1864 C GLU A 123 31.661 13.851 -3.317 1.00 0.29 C ATOM 1865 O GLU A 123 32.043 14.590 -4.202 1.00 0.31 O ATOM 1866 CB GLU A 123 31.807 11.284 -3.475 1.00 0.31 C ATOM 1867 CG GLU A 123 30.656 11.554 -4.455 1.00 1.36 C ATOM 1868 CD GLU A 123 31.178 12.319 -5.673 1.00 2.51 C ATOM 1869 OE1 GLU A 123 32.069 11.809 -6.334 1.00 2.54 O ATOM 1870 OE2 GLU A 123 30.680 13.404 -5.925 1.00 3.81 O ATOM 0 H GLU A 123 31.820 11.811 -1.037 1.00 0.25 H new ATOM 0 HA GLU A 123 33.450 12.671 -3.329 1.00 0.28 H new ATOM 0 HB2 GLU A 123 32.576 10.697 -3.977 1.00 0.31 H new ATOM 0 HB3 GLU A 123 31.438 10.682 -2.645 1.00 0.31 H new ATOM 0 HG2 GLU A 123 30.207 10.612 -4.771 1.00 1.36 H new ATOM 0 HG3 GLU A 123 29.874 12.130 -3.961 1.00 1.36 H new ATOM 1877 N MET A 124 30.573 14.093 -2.648 1.00 0.28 N ATOM 1878 CA MET A 124 29.751 15.295 -2.945 1.00 0.28 C ATOM 1879 C MET A 124 30.564 16.552 -2.627 1.00 0.24 C ATOM 1880 O MET A 124 30.398 17.585 -3.245 1.00 0.27 O ATOM 1881 CB MET A 124 28.482 15.236 -2.112 1.00 0.28 C ATOM 1882 CG MET A 124 27.644 14.028 -2.543 1.00 0.37 C ATOM 1883 SD MET A 124 26.066 14.044 -1.656 1.00 0.36 S ATOM 1884 CE MET A 124 25.701 12.279 -1.803 1.00 0.38 C ATOM 0 H MET A 124 30.213 13.502 -1.899 1.00 0.28 H new ATOM 0 HA MET A 124 29.476 15.324 -3.999 1.00 0.28 H new ATOM 0 HB2 MET A 124 28.732 15.160 -1.054 1.00 0.28 H new ATOM 0 HB3 MET A 124 27.908 16.154 -2.239 1.00 0.28 H new ATOM 0 HG2 MET A 124 27.470 14.058 -3.619 1.00 0.37 H new ATOM 0 HG3 MET A 124 28.183 13.104 -2.333 1.00 0.37 H new ATOM 0 HE1 MET A 124 24.751 12.062 -1.314 1.00 0.38 H new ATOM 0 HE2 MET A 124 25.637 12.007 -2.857 1.00 0.38 H new ATOM 0 HE3 MET A 124 26.494 11.703 -1.327 1.00 0.38 H new ATOM 1894 N ILE A 125 31.460 16.465 -1.681 1.00 0.18 N ATOM 1895 CA ILE A 125 32.313 17.642 -1.334 1.00 0.15 C ATOM 1896 C ILE A 125 33.422 17.802 -2.393 1.00 0.18 C ATOM 1897 O ILE A 125 33.906 18.890 -2.633 1.00 0.20 O ATOM 1898 CB ILE A 125 32.939 17.406 0.049 1.00 0.10 C ATOM 1899 CG1 ILE A 125 31.847 17.525 1.123 1.00 0.04 C ATOM 1900 CG2 ILE A 125 34.037 18.445 0.313 1.00 0.12 C ATOM 1901 CD1 ILE A 125 32.395 17.091 2.484 1.00 0.11 C ATOM 0 H ILE A 125 31.640 15.626 -1.130 1.00 0.18 H new ATOM 0 HA ILE A 125 31.710 18.550 -1.314 1.00 0.15 H new ATOM 0 HB ILE A 125 33.381 16.410 0.081 1.00 0.10 H new ATOM 0 HG12 ILE A 125 31.491 18.554 1.177 1.00 0.04 H new ATOM 0 HG13 ILE A 125 30.992 16.906 0.853 1.00 0.04 H new ATOM 0 HG21 ILE A 125 34.475 18.270 1.296 1.00 0.12 H new ATOM 0 HG22 ILE A 125 34.811 18.359 -0.450 1.00 0.12 H new ATOM 0 HG23 ILE A 125 33.606 19.446 0.281 1.00 0.12 H new ATOM 0 HD11 ILE A 125 31.612 17.180 3.237 1.00 0.11 H new ATOM 0 HD12 ILE A 125 32.729 16.055 2.428 1.00 0.11 H new ATOM 0 HD13 ILE A 125 33.235 17.729 2.758 1.00 0.11 H new ATOM 1913 N ARG A 126 33.832 16.727 -3.021 1.00 0.18 N ATOM 1914 CA ARG A 126 34.910 16.821 -4.053 1.00 0.20 C ATOM 1915 C ARG A 126 34.444 17.702 -5.222 1.00 0.21 C ATOM 1916 O ARG A 126 35.129 18.625 -5.618 1.00 0.22 O ATOM 1917 CB ARG A 126 35.251 15.411 -4.576 1.00 0.20 C ATOM 1918 CG ARG A 126 36.281 14.730 -3.660 1.00 0.36 C ATOM 1919 CD ARG A 126 36.699 13.370 -4.253 1.00 0.61 C ATOM 1920 NE ARG A 126 36.906 12.381 -3.148 1.00 1.10 N ATOM 1921 CZ ARG A 126 37.641 12.672 -2.107 1.00 1.16 C ATOM 1922 NH1 ARG A 126 38.351 13.765 -2.083 1.00 1.17 N ATOM 1923 NH2 ARG A 126 37.705 11.836 -1.107 1.00 1.87 N ATOM 0 H ARG A 126 33.466 15.788 -2.863 1.00 0.18 H new ATOM 0 HA ARG A 126 35.796 17.266 -3.601 1.00 0.20 H new ATOM 0 HB2 ARG A 126 34.345 14.807 -4.626 1.00 0.20 H new ATOM 0 HB3 ARG A 126 35.646 15.479 -5.590 1.00 0.20 H new ATOM 0 HG2 ARG A 126 37.156 15.370 -3.545 1.00 0.36 H new ATOM 0 HG3 ARG A 126 35.857 14.587 -2.666 1.00 0.36 H new ATOM 0 HD2 ARG A 126 35.932 13.009 -4.938 1.00 0.61 H new ATOM 0 HD3 ARG A 126 37.616 13.481 -4.832 1.00 0.61 H new ATOM 0 HE ARG A 126 36.465 11.463 -3.209 1.00 1.10 H new ATOM 0 HH11 ARG A 126 38.336 14.401 -2.881 1.00 1.17 H new ATOM 0 HH12 ARG A 126 38.922 13.985 -1.267 1.00 1.17 H new ATOM 0 HH21 ARG A 126 37.183 10.960 -1.140 1.00 1.87 H new ATOM 0 HH22 ARG A 126 38.277 12.058 -0.292 1.00 1.87 H new ATOM 1937 N GLU A 127 33.301 17.418 -5.791 1.00 0.21 N ATOM 1938 CA GLU A 127 32.831 18.240 -6.951 1.00 0.21 C ATOM 1939 C GLU A 127 32.219 19.563 -6.455 1.00 0.19 C ATOM 1940 O GLU A 127 32.138 20.524 -7.193 1.00 0.21 O ATOM 1941 CB GLU A 127 31.792 17.444 -7.760 1.00 0.23 C ATOM 1942 CG GLU A 127 32.505 16.461 -8.697 1.00 0.27 C ATOM 1943 CD GLU A 127 31.488 15.481 -9.286 1.00 0.50 C ATOM 1944 OE1 GLU A 127 30.452 15.292 -8.672 1.00 1.36 O ATOM 1945 OE2 GLU A 127 31.765 14.936 -10.343 1.00 0.81 O ATOM 0 H GLU A 127 32.677 16.662 -5.508 1.00 0.21 H new ATOM 0 HA GLU A 127 33.682 18.472 -7.591 1.00 0.21 H new ATOM 0 HB2 GLU A 127 31.130 16.902 -7.085 1.00 0.23 H new ATOM 0 HB3 GLU A 127 31.169 18.125 -8.339 1.00 0.23 H new ATOM 0 HG2 GLU A 127 33.006 17.005 -9.498 1.00 0.27 H new ATOM 0 HG3 GLU A 127 33.275 15.916 -8.151 1.00 0.27 H new ATOM 1952 N ALA A 128 31.838 19.647 -5.204 1.00 0.16 N ATOM 1953 CA ALA A 128 31.305 20.918 -4.668 1.00 0.16 C ATOM 1954 C ALA A 128 32.486 21.681 -4.120 1.00 0.15 C ATOM 1955 O ALA A 128 32.700 21.700 -2.931 1.00 0.13 O ATOM 1956 CB ALA A 128 30.322 20.668 -3.532 1.00 0.15 C ATOM 0 H ALA A 128 31.877 18.879 -4.534 1.00 0.16 H new ATOM 0 HA ALA A 128 30.782 21.463 -5.454 1.00 0.16 H new ATOM 0 HB1 ALA A 128 29.947 21.621 -3.159 1.00 0.15 H new ATOM 0 HB2 ALA A 128 29.488 20.069 -3.898 1.00 0.15 H new ATOM 0 HB3 ALA A 128 30.826 20.135 -2.726 1.00 0.15 H new ATOM 1962 N ASP A 129 33.260 22.262 -4.982 1.00 0.17 N ATOM 1963 CA ASP A 129 34.484 23.016 -4.560 1.00 0.16 C ATOM 1964 C ASP A 129 34.186 23.791 -3.275 1.00 0.15 C ATOM 1965 O ASP A 129 33.845 24.957 -3.282 1.00 0.19 O ATOM 1966 CB ASP A 129 34.877 23.982 -5.685 1.00 0.19 C ATOM 1967 CG ASP A 129 34.582 23.334 -7.038 1.00 0.95 C ATOM 1968 OD1 ASP A 129 35.423 22.588 -7.513 1.00 1.90 O ATOM 1969 OD2 ASP A 129 33.517 23.592 -7.575 1.00 1.58 O ATOM 0 H ASP A 129 33.099 22.251 -5.989 1.00 0.17 H new ATOM 0 HA ASP A 129 35.307 22.327 -4.369 1.00 0.16 H new ATOM 0 HB2 ASP A 129 34.322 24.915 -5.588 1.00 0.19 H new ATOM 0 HB3 ASP A 129 35.936 24.231 -5.612 1.00 0.19 H new ATOM 1974 N ILE A 130 34.260 23.093 -2.183 1.00 0.11 N ATOM 1975 CA ILE A 130 33.934 23.671 -0.856 1.00 0.13 C ATOM 1976 C ILE A 130 35.099 24.492 -0.307 1.00 0.21 C ATOM 1977 O ILE A 130 35.055 25.038 0.775 1.00 0.42 O ATOM 1978 CB ILE A 130 33.597 22.472 0.053 1.00 0.11 C ATOM 1979 CG1 ILE A 130 32.124 21.970 -0.215 1.00 0.09 C ATOM 1980 CG2 ILE A 130 33.853 22.822 1.520 1.00 0.12 C ATOM 1981 CD1 ILE A 130 31.322 21.778 1.087 1.00 0.08 C ATOM 0 H ILE A 130 34.542 22.113 -2.155 1.00 0.11 H new ATOM 0 HA ILE A 130 33.094 24.363 -0.916 1.00 0.13 H new ATOM 0 HB ILE A 130 34.258 21.640 -0.188 1.00 0.11 H new ATOM 0 HG12 ILE A 130 31.609 22.688 -0.853 1.00 0.09 H new ATOM 0 HG13 ILE A 130 32.158 21.027 -0.760 1.00 0.09 H new ATOM 0 HG21 ILE A 130 33.610 21.964 2.147 1.00 0.12 H new ATOM 0 HG22 ILE A 130 34.903 23.083 1.654 1.00 0.12 H new ATOM 0 HG23 ILE A 130 33.229 23.669 1.806 1.00 0.12 H new ATOM 0 HD11 ILE A 130 30.316 21.432 0.847 1.00 0.08 H new ATOM 0 HD12 ILE A 130 31.820 21.039 1.715 1.00 0.08 H new ATOM 0 HD13 ILE A 130 31.262 22.727 1.621 1.00 0.08 H new ATOM 2024 N GLY A 134 34.963 29.124 1.431 1.00 0.14 N ATOM 2025 CA GLY A 134 34.775 28.703 2.852 1.00 0.14 C ATOM 2026 C GLY A 134 33.296 28.404 3.107 1.00 0.13 C ATOM 2027 O GLY A 134 32.954 27.534 3.883 1.00 0.17 O ATOM 0 HA2 GLY A 134 35.377 27.819 3.063 1.00 0.14 H new ATOM 0 HA3 GLY A 134 35.118 29.490 3.524 1.00 0.14 H new ATOM 2031 N GLN A 135 32.419 29.114 2.444 1.00 0.13 N ATOM 2032 CA GLN A 135 30.946 28.888 2.613 1.00 0.12 C ATOM 2033 C GLN A 135 30.373 28.431 1.270 1.00 0.11 C ATOM 2034 O GLN A 135 30.920 28.725 0.227 1.00 0.12 O ATOM 2035 CB GLN A 135 30.269 30.193 3.048 1.00 0.16 C ATOM 2036 CG GLN A 135 31.060 30.826 4.204 1.00 0.42 C ATOM 2037 CD GLN A 135 30.155 31.782 4.990 1.00 0.55 C ATOM 2038 OE1 GLN A 135 29.611 31.417 6.014 1.00 1.23 O ATOM 2039 NE2 GLN A 135 29.973 32.997 4.551 1.00 0.30 N ATOM 0 H GLN A 135 32.662 29.852 1.783 1.00 0.13 H new ATOM 0 HA GLN A 135 30.767 28.130 3.375 1.00 0.12 H new ATOM 0 HB2 GLN A 135 30.218 30.885 2.208 1.00 0.16 H new ATOM 0 HB3 GLN A 135 29.244 29.995 3.361 1.00 0.16 H new ATOM 0 HG2 GLN A 135 31.443 30.048 4.864 1.00 0.42 H new ATOM 0 HG3 GLN A 135 31.923 31.366 3.814 1.00 0.42 H new ATOM 0 HE21 GLN A 135 30.430 33.303 3.692 1.00 0.30 H new ATOM 0 HE22 GLN A 135 29.374 33.641 5.067 1.00 0.30 H new ATOM 2048 N VAL A 136 29.292 27.690 1.281 1.00 0.10 N ATOM 2049 CA VAL A 136 28.717 27.192 -0.001 1.00 0.12 C ATOM 2050 C VAL A 136 27.189 27.177 0.098 1.00 0.11 C ATOM 2051 O VAL A 136 26.622 27.002 1.162 1.00 0.12 O ATOM 2052 CB VAL A 136 29.218 25.753 -0.217 1.00 0.12 C ATOM 2053 CG1 VAL A 136 29.219 25.373 -1.709 1.00 0.20 C ATOM 2054 CG2 VAL A 136 30.639 25.612 0.334 1.00 0.17 C ATOM 0 H VAL A 136 28.786 27.411 2.121 1.00 0.10 H new ATOM 0 HA VAL A 136 29.019 27.836 -0.827 1.00 0.12 H new ATOM 0 HB VAL A 136 28.539 25.083 0.310 1.00 0.12 H new ATOM 0 HG11 VAL A 136 29.579 24.350 -1.824 1.00 0.20 H new ATOM 0 HG12 VAL A 136 28.206 25.448 -2.104 1.00 0.20 H new ATOM 0 HG13 VAL A 136 29.873 26.051 -2.257 1.00 0.20 H new ATOM 0 HG21 VAL A 136 30.990 24.592 0.179 1.00 0.17 H new ATOM 0 HG22 VAL A 136 31.301 26.306 -0.184 1.00 0.17 H new ATOM 0 HG23 VAL A 136 30.640 25.838 1.400 1.00 0.17 H new ATOM 2064 N ASN A 137 26.524 27.331 -1.012 1.00 0.13 N ATOM 2065 CA ASN A 137 25.063 27.290 -1.017 1.00 0.13 C ATOM 2066 C ASN A 137 24.648 25.819 -1.005 1.00 0.11 C ATOM 2067 O ASN A 137 25.432 24.945 -1.317 1.00 0.38 O ATOM 2068 CB ASN A 137 24.574 27.971 -2.288 1.00 0.13 C ATOM 2069 CG ASN A 137 25.520 27.652 -3.448 1.00 1.47 C ATOM 2070 OD1 ASN A 137 25.997 26.543 -3.572 1.00 2.10 O ATOM 2071 ND2 ASN A 137 25.814 28.588 -4.308 1.00 2.45 N ATOM 0 H ASN A 137 26.952 27.486 -1.925 1.00 0.13 H new ATOM 0 HA ASN A 137 24.636 27.801 -0.154 1.00 0.13 H new ATOM 0 HB2 ASN A 137 23.565 27.633 -2.527 1.00 0.13 H new ATOM 0 HB3 ASN A 137 24.522 29.049 -2.136 1.00 0.13 H new ATOM 0 HD21 ASN A 137 26.445 28.388 -5.084 1.00 2.45 H new ATOM 0 HD22 ASN A 137 25.413 29.520 -4.204 1.00 2.45 H new ATOM 2078 N TYR A 138 23.445 25.534 -0.618 1.00 0.26 N ATOM 2079 CA TYR A 138 22.992 24.107 -0.551 1.00 0.24 C ATOM 2080 C TYR A 138 22.264 23.681 -1.844 1.00 0.23 C ATOM 2081 O TYR A 138 22.187 22.509 -2.138 1.00 0.23 O ATOM 2082 CB TYR A 138 22.056 23.940 0.664 1.00 0.33 C ATOM 2083 CG TYR A 138 21.346 25.246 0.941 1.00 0.13 C ATOM 2084 CD1 TYR A 138 21.972 26.236 1.714 1.00 1.43 C ATOM 2085 CD2 TYR A 138 20.063 25.469 0.430 1.00 1.50 C ATOM 2086 CE1 TYR A 138 21.312 27.445 1.967 1.00 1.60 C ATOM 2087 CE2 TYR A 138 19.406 26.674 0.681 1.00 1.32 C ATOM 2088 CZ TYR A 138 20.030 27.665 1.449 1.00 0.25 C ATOM 2089 OH TYR A 138 19.379 28.857 1.696 1.00 0.43 O ATOM 0 H TYR A 138 22.746 26.223 -0.342 1.00 0.26 H new ATOM 0 HA TYR A 138 23.867 23.466 -0.444 1.00 0.24 H new ATOM 0 HB2 TYR A 138 21.328 23.153 0.469 1.00 0.33 H new ATOM 0 HB3 TYR A 138 22.630 23.634 1.539 1.00 0.33 H new ATOM 0 HD1 TYR A 138 22.961 26.066 2.113 1.00 1.43 H new ATOM 0 HD2 TYR A 138 19.579 24.705 -0.161 1.00 1.50 H new ATOM 0 HE1 TYR A 138 21.792 28.208 2.562 1.00 1.60 H new ATOM 0 HE2 TYR A 138 18.416 26.843 0.283 1.00 1.32 H new ATOM 0 HH TYR A 138 19.854 29.350 2.397 1.00 0.43 H new ATOM 2099 N GLU A 139 21.724 24.604 -2.607 1.00 0.24 N ATOM 2100 CA GLU A 139 20.992 24.219 -3.860 1.00 0.30 C ATOM 2101 C GLU A 139 21.758 23.121 -4.616 1.00 0.26 C ATOM 2102 O GLU A 139 21.188 22.125 -5.016 1.00 0.28 O ATOM 2103 CB GLU A 139 20.812 25.473 -4.759 1.00 0.34 C ATOM 2104 CG GLU A 139 19.358 25.970 -4.711 1.00 0.75 C ATOM 2105 CD GLU A 139 19.272 27.362 -5.339 1.00 1.13 C ATOM 2106 OE1 GLU A 139 20.312 27.975 -5.521 1.00 1.23 O ATOM 2107 OE2 GLU A 139 18.168 27.795 -5.624 1.00 1.90 O ATOM 0 H GLU A 139 21.758 25.606 -2.417 1.00 0.24 H new ATOM 0 HA GLU A 139 20.011 23.825 -3.594 1.00 0.30 H new ATOM 0 HB2 GLU A 139 21.484 26.265 -4.427 1.00 0.34 H new ATOM 0 HB3 GLU A 139 21.086 25.233 -5.786 1.00 0.34 H new ATOM 0 HG2 GLU A 139 18.708 25.278 -5.246 1.00 0.75 H new ATOM 0 HG3 GLU A 139 19.008 26.003 -3.679 1.00 0.75 H new ATOM 2114 N GLU A 140 23.036 23.285 -4.815 1.00 0.23 N ATOM 2115 CA GLU A 140 23.806 22.239 -5.546 1.00 0.23 C ATOM 2116 C GLU A 140 23.890 20.977 -4.684 1.00 0.20 C ATOM 2117 O GLU A 140 23.791 19.866 -5.171 1.00 0.25 O ATOM 2118 CB GLU A 140 25.216 22.757 -5.839 1.00 0.20 C ATOM 2119 CG GLU A 140 25.128 24.036 -6.673 1.00 0.80 C ATOM 2120 CD GLU A 140 24.644 23.697 -8.084 1.00 1.33 C ATOM 2121 OE1 GLU A 140 25.463 23.276 -8.885 1.00 1.32 O ATOM 2122 OE2 GLU A 140 23.463 23.861 -8.341 1.00 2.64 O ATOM 0 H GLU A 140 23.578 24.092 -4.506 1.00 0.23 H new ATOM 0 HA GLU A 140 23.305 22.004 -6.485 1.00 0.23 H new ATOM 0 HB2 GLU A 140 25.743 22.955 -4.906 1.00 0.20 H new ATOM 0 HB3 GLU A 140 25.789 22.000 -6.375 1.00 0.20 H new ATOM 0 HG2 GLU A 140 24.444 24.742 -6.203 1.00 0.80 H new ATOM 0 HG3 GLU A 140 26.104 24.520 -6.719 1.00 0.80 H new ATOM 2129 N PHE A 141 24.079 21.141 -3.404 1.00 0.14 N ATOM 2130 CA PHE A 141 24.179 19.953 -2.504 1.00 0.10 C ATOM 2131 C PHE A 141 22.793 19.312 -2.324 1.00 0.13 C ATOM 2132 O PHE A 141 22.685 18.159 -1.950 1.00 0.05 O ATOM 2133 CB PHE A 141 24.764 20.391 -1.133 1.00 0.09 C ATOM 2134 CG PHE A 141 26.147 19.802 -0.938 1.00 0.08 C ATOM 2135 CD1 PHE A 141 26.279 18.451 -0.608 1.00 0.06 C ATOM 2136 CD2 PHE A 141 27.291 20.600 -1.098 1.00 0.18 C ATOM 2137 CE1 PHE A 141 27.550 17.896 -0.435 1.00 0.05 C ATOM 2138 CE2 PHE A 141 28.567 20.031 -0.925 1.00 0.20 C ATOM 2139 CZ PHE A 141 28.687 18.686 -0.596 1.00 0.11 C ATOM 0 H PHE A 141 24.169 22.045 -2.940 1.00 0.14 H new ATOM 0 HA PHE A 141 24.843 19.212 -2.949 1.00 0.10 H new ATOM 0 HB2 PHE A 141 24.814 21.479 -1.082 1.00 0.09 H new ATOM 0 HB3 PHE A 141 24.106 20.064 -0.328 1.00 0.09 H new ATOM 0 HD1 PHE A 141 25.400 17.836 -0.487 1.00 0.06 H new ATOM 0 HD2 PHE A 141 27.193 21.645 -1.352 1.00 0.18 H new ATOM 0 HE1 PHE A 141 27.651 16.852 -0.176 1.00 0.05 H new ATOM 0 HE2 PHE A 141 29.451 20.639 -1.048 1.00 0.20 H new ATOM 0 HZ PHE A 141 29.667 18.251 -0.464 1.00 0.11 H new ATOM 2149 N VAL A 142 21.735 20.032 -2.586 1.00 0.27 N ATOM 2150 CA VAL A 142 20.379 19.430 -2.422 1.00 0.30 C ATOM 2151 C VAL A 142 20.152 18.409 -3.539 1.00 0.32 C ATOM 2152 O VAL A 142 19.719 17.298 -3.304 1.00 0.32 O ATOM 2153 CB VAL A 142 19.306 20.524 -2.523 1.00 0.39 C ATOM 2154 CG1 VAL A 142 17.920 19.868 -2.481 1.00 0.43 C ATOM 2155 CG2 VAL A 142 19.453 21.534 -1.357 1.00 0.41 C ATOM 0 H VAL A 142 21.749 21.001 -2.903 1.00 0.27 H new ATOM 0 HA VAL A 142 20.313 18.947 -1.447 1.00 0.30 H new ATOM 0 HB VAL A 142 19.428 21.066 -3.461 1.00 0.39 H new ATOM 0 HG11 VAL A 142 17.151 20.637 -2.552 1.00 0.43 H new ATOM 0 HG12 VAL A 142 17.819 19.176 -3.317 1.00 0.43 H new ATOM 0 HG13 VAL A 142 17.803 19.324 -1.544 1.00 0.43 H new ATOM 0 HG21 VAL A 142 18.685 22.303 -1.443 1.00 0.41 H new ATOM 0 HG22 VAL A 142 19.339 21.012 -0.407 1.00 0.41 H new ATOM 0 HG23 VAL A 142 20.438 21.998 -1.400 1.00 0.41 H new ATOM 2165 N GLN A 143 20.427 18.793 -4.755 1.00 0.33 N ATOM 2166 CA GLN A 143 20.221 17.868 -5.905 1.00 0.37 C ATOM 2167 C GLN A 143 21.163 16.666 -5.799 1.00 0.33 C ATOM 2168 O GLN A 143 20.876 15.598 -6.302 1.00 0.34 O ATOM 2169 CB GLN A 143 20.511 18.616 -7.207 1.00 0.42 C ATOM 2170 CG GLN A 143 19.450 19.695 -7.426 1.00 0.48 C ATOM 2171 CD GLN A 143 19.606 20.293 -8.823 1.00 0.91 C ATOM 2172 OE1 GLN A 143 19.122 19.741 -9.790 1.00 1.28 O ATOM 2173 NE2 GLN A 143 20.270 21.406 -8.973 1.00 1.62 N ATOM 0 H GLN A 143 20.788 19.714 -5.003 1.00 0.33 H new ATOM 0 HA GLN A 143 19.190 17.513 -5.894 1.00 0.37 H new ATOM 0 HB2 GLN A 143 21.502 19.069 -7.165 1.00 0.42 H new ATOM 0 HB3 GLN A 143 20.514 17.919 -8.045 1.00 0.42 H new ATOM 0 HG2 GLN A 143 18.454 19.268 -7.312 1.00 0.48 H new ATOM 0 HG3 GLN A 143 19.550 20.476 -6.672 1.00 0.48 H new ATOM 0 HE21 GLN A 143 20.677 21.870 -8.161 1.00 1.62 H new ATOM 0 HE22 GLN A 143 20.382 21.812 -9.902 1.00 1.62 H new ATOM 2182 N MET A 144 22.290 16.832 -5.165 1.00 0.29 N ATOM 2183 CA MET A 144 23.248 15.692 -5.055 1.00 0.26 C ATOM 2184 C MET A 144 22.702 14.627 -4.095 1.00 0.24 C ATOM 2185 O MET A 144 22.812 13.446 -4.344 1.00 0.24 O ATOM 2186 CB MET A 144 24.608 16.208 -4.551 1.00 0.22 C ATOM 2187 CG MET A 144 25.427 16.758 -5.726 1.00 0.26 C ATOM 2188 SD MET A 144 26.730 17.844 -5.100 1.00 0.18 S ATOM 2189 CE MET A 144 26.935 18.841 -6.595 1.00 0.82 C ATOM 0 H MET A 144 22.590 17.700 -4.721 1.00 0.29 H new ATOM 0 HA MET A 144 23.376 15.240 -6.038 1.00 0.26 H new ATOM 0 HB2 MET A 144 24.457 16.988 -3.805 1.00 0.22 H new ATOM 0 HB3 MET A 144 25.154 15.401 -4.062 1.00 0.22 H new ATOM 0 HG2 MET A 144 25.865 15.937 -6.293 1.00 0.26 H new ATOM 0 HG3 MET A 144 24.779 17.307 -6.409 1.00 0.26 H new ATOM 0 HE1 MET A 144 27.708 19.591 -6.429 1.00 0.82 H new ATOM 0 HE2 MET A 144 27.227 18.197 -7.425 1.00 0.82 H new ATOM 0 HE3 MET A 144 25.994 19.336 -6.834 1.00 0.82 H new ATOM 2199 N MET A 145 22.124 15.030 -2.999 1.00 0.23 N ATOM 2200 CA MET A 145 21.592 14.025 -2.029 1.00 0.21 C ATOM 2201 C MET A 145 20.411 13.268 -2.644 1.00 0.23 C ATOM 2202 O MET A 145 20.075 12.180 -2.220 1.00 0.21 O ATOM 2203 CB MET A 145 21.127 14.737 -0.748 1.00 0.19 C ATOM 2204 CG MET A 145 22.337 15.325 0.026 1.00 0.16 C ATOM 2205 SD MET A 145 22.215 14.889 1.785 1.00 0.08 S ATOM 2206 CE MET A 145 20.817 15.960 2.213 1.00 0.20 C ATOM 0 H MET A 145 21.996 16.006 -2.731 1.00 0.23 H new ATOM 0 HA MET A 145 22.385 13.317 -1.789 1.00 0.21 H new ATOM 0 HB2 MET A 145 20.430 15.535 -1.003 1.00 0.19 H new ATOM 0 HB3 MET A 145 20.589 14.035 -0.111 1.00 0.19 H new ATOM 0 HG2 MET A 145 23.268 14.940 -0.390 1.00 0.16 H new ATOM 0 HG3 MET A 145 22.361 16.409 -0.088 1.00 0.16 H new ATOM 0 HE1 MET A 145 20.879 16.236 3.266 1.00 0.20 H new ATOM 0 HE2 MET A 145 20.847 16.860 1.599 1.00 0.20 H new ATOM 0 HE3 MET A 145 19.883 15.429 2.032 1.00 0.20 H new ATOM 2216 N THR A 146 19.769 13.832 -3.628 1.00 0.27 N ATOM 2217 CA THR A 146 18.613 13.157 -4.251 1.00 0.28 C ATOM 2218 C THR A 146 19.094 12.008 -5.139 1.00 0.37 C ATOM 2219 O THR A 146 18.704 10.868 -4.980 1.00 0.60 O ATOM 2220 CB THR A 146 17.863 14.217 -5.080 1.00 0.46 C ATOM 2221 OG1 THR A 146 18.633 15.407 -5.098 1.00 0.38 O ATOM 2222 CG2 THR A 146 16.496 14.524 -4.460 1.00 0.59 C ATOM 0 H THR A 146 20.003 14.741 -4.027 1.00 0.27 H new ATOM 0 HA THR A 146 17.952 12.730 -3.497 1.00 0.28 H new ATOM 0 HB THR A 146 17.713 13.835 -6.090 1.00 0.46 H new ATOM 0 HG1 THR A 146 19.209 15.412 -5.891 1.00 0.38 H new ATOM 0 HG21 THR A 146 15.984 15.275 -5.062 1.00 0.59 H new ATOM 0 HG22 THR A 146 15.898 13.614 -4.430 1.00 0.59 H new ATOM 0 HG23 THR A 146 16.633 14.902 -3.447 1.00 0.59 H new