USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 621 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 78 HIS : no HE2:sc= -1.06 X(o=-1.4,f=-1.3!) USER MOD Set 1.2: B 208 THR OG1 : rot -160:sc= -0.385 USER MOD Set 2.1: A 69 ASN : amide:sc= -0.0172 K(o=-0.017,f=-0.88) USER MOD Set 2.2: A 93 HIS : no HD1:sc=-4.05e-05 K(o=-0.017,f=-1.3) USER MOD Single : A 13 THR OG1 : rot -25:sc= 0.243 USER MOD Single : A 20 LYS NZ :NH3+ -169:sc= 0.611 (180deg=0.543) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.21 USER MOD Single : A 43 TYR OH : rot -55:sc= 0.0125 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.347 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.1) USER MOD Single : A 84 THR OG1 : rot 84:sc= 0.00505 USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 88 THR OG1 : rot -116:sc= 0.955 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 165:sc= 1.27! (180deg=0.923!) USER MOD Single : B 209 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 73 N THR A 13 -6.737 -8.037 -5.870 1.00 0.00 N ATOM 74 CA THR A 13 -5.997 -6.834 -6.100 1.00 0.00 C ATOM 75 C THR A 13 -6.867 -5.624 -6.150 1.00 0.00 C ATOM 76 O THR A 13 -7.904 -5.612 -6.810 1.00 0.00 O ATOM 77 CB THR A 13 -5.159 -6.854 -7.343 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.809 -7.512 -8.420 1.00 0.00 O ATOM 79 CG2 THR A 13 -3.862 -7.625 -7.044 1.00 0.00 C ATOM 0 HA THR A 13 -5.332 -6.782 -5.238 1.00 0.00 H new ATOM 0 HB THR A 13 -4.970 -5.820 -7.631 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.460 -8.154 -8.066 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.239 -7.650 -7.938 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.321 -7.128 -6.239 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.106 -8.644 -6.743 1.00 0.00 H new ATOM 87 N PHE A 14 -6.459 -4.552 -5.448 1.00 0.00 N ATOM 88 CA PHE A 14 -7.050 -3.252 -5.528 1.00 0.00 C ATOM 89 C PHE A 14 -5.959 -2.254 -5.710 1.00 0.00 C ATOM 90 O PHE A 14 -4.948 -2.285 -5.011 1.00 0.00 O ATOM 91 CB PHE A 14 -8.041 -2.795 -4.445 1.00 0.00 C ATOM 92 CG PHE A 14 -7.871 -3.197 -3.020 1.00 0.00 C ATOM 93 CD1 PHE A 14 -7.604 -4.488 -2.626 1.00 0.00 C ATOM 94 CD2 PHE A 14 -8.123 -2.274 -2.033 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.479 -4.826 -1.299 1.00 0.00 C ATOM 96 CE2 PHE A 14 -7.990 -2.590 -0.702 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.656 -3.870 -0.327 1.00 0.00 C ATOM 0 H PHE A 14 -5.679 -4.594 -4.792 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.721 -3.330 -6.383 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.056 -1.705 -4.468 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.029 -3.134 -4.755 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.490 -5.255 -3.378 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.433 -1.277 -2.310 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.242 -5.842 -1.020 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.148 -1.832 0.051 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.534 -4.121 0.716 1.00 0.00 H new ATOM 107 N GLU A 15 -6.124 -1.330 -6.674 1.00 0.00 N ATOM 108 CA GLU A 15 -5.215 -0.255 -6.921 1.00 0.00 C ATOM 109 C GLU A 15 -5.825 1.018 -6.446 1.00 0.00 C ATOM 110 O GLU A 15 -6.495 1.731 -7.192 1.00 0.00 O ATOM 111 CB GLU A 15 -4.794 -0.130 -8.395 1.00 0.00 C ATOM 112 CG GLU A 15 -4.103 -1.358 -8.992 1.00 0.00 C ATOM 113 CD GLU A 15 -3.478 -1.095 -10.355 1.00 0.00 C ATOM 114 OE1 GLU A 15 -3.778 -0.056 -11.000 1.00 0.00 O ATOM 115 OE2 GLU A 15 -2.662 -1.933 -10.822 1.00 0.00 O ATOM 0 H GLU A 15 -6.924 -1.333 -7.307 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.301 -0.473 -6.368 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.680 0.091 -8.990 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.124 0.724 -8.492 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.329 -1.700 -8.305 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.829 -2.166 -9.083 1.00 0.00 H new ATOM 122 N VAL A 16 -5.632 1.343 -5.155 1.00 0.00 N ATOM 123 CA VAL A 16 -6.199 2.448 -4.448 1.00 0.00 C ATOM 124 C VAL A 16 -5.351 3.672 -4.502 1.00 0.00 C ATOM 125 O VAL A 16 -4.205 3.640 -4.059 1.00 0.00 O ATOM 126 CB VAL A 16 -6.303 2.036 -3.010 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.778 3.176 -2.092 1.00 0.00 C ATOM 128 CG2 VAL A 16 -7.277 0.851 -2.892 1.00 0.00 C ATOM 0 H VAL A 16 -5.026 0.782 -4.556 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.158 2.690 -4.906 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.302 1.755 -2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.833 2.817 -1.064 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.074 4.006 -2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.764 3.514 -2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.356 0.548 -1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.259 1.149 -3.259 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.907 0.015 -3.486 1.00 0.00 H new ATOM 138 N GLU A 17 -5.831 4.832 -4.987 1.00 0.00 N ATOM 139 CA GLU A 17 -5.040 6.021 -5.056 1.00 0.00 C ATOM 140 C GLU A 17 -5.406 7.031 -4.023 1.00 0.00 C ATOM 141 O GLU A 17 -6.528 7.528 -3.932 1.00 0.00 O ATOM 142 CB GLU A 17 -4.927 6.598 -6.478 1.00 0.00 C ATOM 143 CG GLU A 17 -6.090 7.415 -7.044 1.00 0.00 C ATOM 144 CD GLU A 17 -7.403 6.665 -7.218 1.00 0.00 C ATOM 145 OE1 GLU A 17 -7.406 5.471 -7.619 1.00 0.00 O ATOM 146 OE2 GLU A 17 -8.477 7.292 -7.009 1.00 0.00 O ATOM 0 H GLU A 17 -6.783 4.946 -5.336 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.026 5.712 -4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.038 7.228 -6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.750 5.765 -7.158 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.264 8.267 -6.387 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.791 7.815 -8.013 1.00 0.00 H new ATOM 153 N LEU A 18 -4.436 7.349 -3.148 1.00 0.00 N ATOM 154 CA LEU A 18 -4.628 8.186 -2.005 1.00 0.00 C ATOM 155 C LEU A 18 -3.749 9.389 -2.065 1.00 0.00 C ATOM 156 O LEU A 18 -2.734 9.398 -2.759 1.00 0.00 O ATOM 157 CB LEU A 18 -4.256 7.439 -0.713 1.00 0.00 C ATOM 158 CG LEU A 18 -4.959 6.080 -0.555 1.00 0.00 C ATOM 159 CD1 LEU A 18 -4.431 5.393 0.716 1.00 0.00 C ATOM 160 CD2 LEU A 18 -6.492 6.190 -0.574 1.00 0.00 C ATOM 0 H LEU A 18 -3.479 7.009 -3.241 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.679 8.474 -2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.177 7.284 -0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.504 8.067 0.143 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.719 5.462 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.922 4.428 0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.355 5.244 0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.641 6.020 1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.929 5.198 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.821 6.829 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.814 6.620 -1.522 1.00 0.00 H new ATOM 172 N ALA A 19 -4.089 10.437 -1.294 1.00 0.00 N ATOM 173 CA ALA A 19 -3.255 11.583 -1.099 1.00 0.00 C ATOM 174 C ALA A 19 -2.971 11.727 0.357 1.00 0.00 C ATOM 175 O ALA A 19 -3.812 12.161 1.142 1.00 0.00 O ATOM 176 CB ALA A 19 -3.903 12.846 -1.690 1.00 0.00 C ATOM 0 H ALA A 19 -4.974 10.489 -0.789 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.312 11.447 -1.628 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.247 13.701 -1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.060 12.708 -2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.861 13.025 -1.202 1.00 0.00 H new ATOM 182 N LYS A 20 -1.761 11.329 0.788 1.00 0.00 N ATOM 183 CA LYS A 20 -1.346 11.253 2.155 1.00 0.00 C ATOM 184 C LYS A 20 -1.313 12.537 2.909 1.00 0.00 C ATOM 185 O LYS A 20 -1.037 13.608 2.369 1.00 0.00 O ATOM 186 CB LYS A 20 -0.059 10.426 2.308 1.00 0.00 C ATOM 187 CG LYS A 20 1.298 11.018 1.921 1.00 0.00 C ATOM 188 CD LYS A 20 1.412 11.519 0.480 1.00 0.00 C ATOM 189 CE LYS A 20 2.770 11.283 -0.183 1.00 0.00 C ATOM 190 NZ LYS A 20 3.863 12.073 0.430 1.00 0.00 N ATOM 0 H LYS A 20 -1.027 11.042 0.141 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.155 10.717 2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.008 10.126 3.354 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.191 9.516 1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.518 11.847 2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.065 10.261 2.086 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.643 11.032 -0.120 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.199 12.588 0.465 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.018 10.223 -0.122 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.699 11.533 -1.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.711 12.017 -0.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.566 13.066 0.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.080 11.692 1.373 1.00 0.00 H new ATOM 204 N THR A 21 -1.670 12.484 4.205 1.00 0.00 N ATOM 205 CA THR A 21 -1.937 13.615 5.038 1.00 0.00 C ATOM 206 C THR A 21 -0.788 13.840 5.960 1.00 0.00 C ATOM 207 O THR A 21 -0.645 13.230 7.018 1.00 0.00 O ATOM 208 CB THR A 21 -3.286 13.525 5.690 1.00 0.00 C ATOM 209 OG1 THR A 21 -3.645 14.683 6.430 1.00 0.00 O ATOM 210 CG2 THR A 21 -3.475 12.311 6.616 1.00 0.00 C ATOM 0 H THR A 21 -1.778 11.599 4.700 1.00 0.00 H new ATOM 0 HA THR A 21 -2.013 14.517 4.431 1.00 0.00 H new ATOM 0 HB THR A 21 -3.942 13.417 4.826 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.533 14.557 6.825 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.479 12.330 7.041 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.341 11.393 6.044 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.740 12.349 7.420 1.00 0.00 H new ATOM 218 N ASP A 22 0.143 14.717 5.546 1.00 0.00 N ATOM 219 CA ASP A 22 1.395 15.021 6.167 1.00 0.00 C ATOM 220 C ASP A 22 2.240 13.828 6.451 1.00 0.00 C ATOM 221 O ASP A 22 2.636 13.557 7.583 1.00 0.00 O ATOM 222 CB ASP A 22 1.205 15.973 7.360 1.00 0.00 C ATOM 223 CG ASP A 22 2.506 16.596 7.845 1.00 0.00 C ATOM 224 OD1 ASP A 22 3.254 17.167 7.008 1.00 0.00 O ATOM 225 OD2 ASP A 22 2.787 16.538 9.071 1.00 0.00 O ATOM 0 H ASP A 22 0.004 15.264 4.696 1.00 0.00 H new ATOM 0 HA ASP A 22 1.990 15.565 5.433 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.514 16.767 7.076 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.743 15.427 8.182 1.00 0.00 H new ATOM 230 N GLY A 23 2.543 13.035 5.407 1.00 0.00 N ATOM 231 CA GLY A 23 3.307 11.831 5.518 1.00 0.00 C ATOM 232 C GLY A 23 2.644 10.757 6.309 1.00 0.00 C ATOM 233 O GLY A 23 3.166 10.318 7.332 1.00 0.00 O ATOM 0 H GLY A 23 2.246 13.239 4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.516 11.453 4.517 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.267 12.065 5.977 1.00 0.00 H new ATOM 237 N SER A 24 1.457 10.322 5.850 1.00 0.00 N ATOM 238 CA SER A 24 0.606 9.408 6.547 1.00 0.00 C ATOM 239 C SER A 24 -0.547 9.115 5.649 1.00 0.00 C ATOM 240 O SER A 24 -1.453 9.918 5.437 1.00 0.00 O ATOM 241 CB SER A 24 0.082 9.915 7.901 1.00 0.00 C ATOM 242 OG SER A 24 -0.734 8.968 8.574 1.00 0.00 O ATOM 0 H SER A 24 1.073 10.621 4.953 1.00 0.00 H new ATOM 0 HA SER A 24 1.199 8.526 6.786 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.928 10.173 8.537 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.489 10.830 7.743 1.00 0.00 H new ATOM 0 HG SER A 24 -1.036 9.344 9.427 1.00 0.00 H new ATOM 248 N LEU A 25 -0.526 7.914 5.044 1.00 0.00 N ATOM 249 CA LEU A 25 -1.633 7.283 4.394 1.00 0.00 C ATOM 250 C LEU A 25 -2.540 6.851 5.494 1.00 0.00 C ATOM 251 O LEU A 25 -3.728 7.164 5.567 1.00 0.00 O ATOM 252 CB LEU A 25 -1.144 6.020 3.666 1.00 0.00 C ATOM 253 CG LEU A 25 0.075 6.221 2.751 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.809 4.881 2.578 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.302 6.899 1.422 1.00 0.00 C ATOM 0 H LEU A 25 0.321 7.347 5.007 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.114 7.950 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.898 5.263 4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.965 5.624 3.068 1.00 0.00 H new ATOM 0 HG LEU A 25 0.769 6.916 3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.674 5.021 1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.140 4.519 3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.134 4.152 2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.591 7.020 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.026 6.281 0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.739 7.877 1.624 1.00 0.00 H new ATOM 267 N GLY A 26 -1.910 6.165 6.465 1.00 0.00 N ATOM 268 CA GLY A 26 -2.472 5.893 7.752 1.00 0.00 C ATOM 269 C GLY A 26 -2.336 4.456 8.117 1.00 0.00 C ATOM 270 O GLY A 26 -3.231 3.876 8.729 1.00 0.00 O ATOM 0 H GLY A 26 -0.971 5.784 6.349 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.977 6.508 8.503 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.526 6.172 7.756 1.00 0.00 H new ATOM 274 N ILE A 27 -1.193 3.852 7.746 1.00 0.00 N ATOM 275 CA ILE A 27 -0.964 2.474 8.053 1.00 0.00 C ATOM 276 C ILE A 27 0.272 2.277 8.861 1.00 0.00 C ATOM 277 O ILE A 27 1.349 2.782 8.549 1.00 0.00 O ATOM 278 CB ILE A 27 -0.984 1.616 6.822 1.00 0.00 C ATOM 279 CG1 ILE A 27 0.004 2.103 5.749 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.451 1.637 6.357 1.00 0.00 C ATOM 281 CD1 ILE A 27 0.231 1.096 4.623 1.00 0.00 C ATOM 0 H ILE A 27 -0.436 4.311 7.240 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.795 2.145 8.677 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.649 0.599 7.025 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.367 3.035 5.322 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.960 2.327 6.222 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.556 1.031 5.457 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.088 1.232 7.143 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.749 2.663 6.141 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.939 1.508 3.904 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.632 0.171 5.037 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.715 0.890 4.123 1.00 0.00 H new ATOM 293 N SER A 28 0.127 1.510 9.956 1.00 0.00 N ATOM 294 CA SER A 28 1.208 0.870 10.638 1.00 0.00 C ATOM 295 C SER A 28 1.737 -0.295 9.874 1.00 0.00 C ATOM 296 O SER A 28 1.071 -1.324 9.773 1.00 0.00 O ATOM 297 CB SER A 28 0.817 0.238 11.984 1.00 0.00 C ATOM 298 OG SER A 28 0.588 1.215 12.989 1.00 0.00 O ATOM 0 H SER A 28 -0.781 1.328 10.384 1.00 0.00 H new ATOM 0 HA SER A 28 1.923 1.683 10.763 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.082 -0.364 11.853 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.608 -0.437 12.310 1.00 0.00 H new ATOM 0 HG SER A 28 0.341 0.771 13.827 1.00 0.00 H new ATOM 304 N VAL A 29 2.968 -0.211 9.338 1.00 0.00 N ATOM 305 CA VAL A 29 3.536 -1.277 8.572 1.00 0.00 C ATOM 306 C VAL A 29 4.198 -2.354 9.360 1.00 0.00 C ATOM 307 O VAL A 29 5.111 -2.140 10.157 1.00 0.00 O ATOM 308 CB VAL A 29 4.450 -0.752 7.505 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.592 -0.016 6.461 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.517 0.175 8.111 1.00 0.00 C ATOM 0 H VAL A 29 3.575 0.603 9.437 1.00 0.00 H new ATOM 0 HA VAL A 29 2.677 -1.764 8.110 1.00 0.00 H new ATOM 0 HB VAL A 29 4.982 -1.574 7.025 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.235 0.376 5.673 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.870 -0.709 6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.063 0.807 6.940 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.169 0.545 7.320 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.030 1.017 8.603 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.109 -0.379 8.840 1.00 0.00 H new ATOM 320 N THR A 30 3.754 -3.607 9.156 1.00 0.00 N ATOM 321 CA THR A 30 4.297 -4.803 9.720 1.00 0.00 C ATOM 322 C THR A 30 4.765 -5.712 8.636 1.00 0.00 C ATOM 323 O THR A 30 4.511 -5.506 7.450 1.00 0.00 O ATOM 324 CB THR A 30 3.346 -5.517 10.636 1.00 0.00 C ATOM 325 OG1 THR A 30 3.925 -6.601 11.348 1.00 0.00 O ATOM 326 CG2 THR A 30 2.118 -6.063 9.889 1.00 0.00 C ATOM 0 H THR A 30 2.955 -3.796 8.551 1.00 0.00 H new ATOM 0 HA THR A 30 5.142 -4.502 10.339 1.00 0.00 H new ATOM 0 HB THR A 30 3.055 -4.746 11.349 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.247 -7.014 11.923 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.460 -6.571 10.594 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.581 -5.238 9.420 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.442 -6.767 9.123 1.00 0.00 H new ATOM 334 N GLY A 31 5.490 -6.774 9.029 1.00 0.00 N ATOM 335 CA GLY A 31 6.021 -7.782 8.165 1.00 0.00 C ATOM 336 C GLY A 31 7.270 -7.370 7.464 1.00 0.00 C ATOM 337 O GLY A 31 8.283 -7.048 8.083 1.00 0.00 O ATOM 0 H GLY A 31 5.719 -6.938 10.009 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.222 -8.680 8.749 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.268 -8.046 7.423 1.00 0.00 H new ATOM 341 N GLY A 32 7.241 -7.392 6.119 1.00 0.00 N ATOM 342 CA GLY A 32 8.372 -7.112 5.289 1.00 0.00 C ATOM 343 C GLY A 32 8.955 -8.410 4.849 1.00 0.00 C ATOM 344 O GLY A 32 8.930 -9.388 5.595 1.00 0.00 O ATOM 0 H GLY A 32 6.398 -7.613 5.590 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.073 -6.517 4.426 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.112 -6.529 5.837 1.00 0.00 H new ATOM 348 N VAL A 33 9.535 -8.475 3.638 1.00 0.00 N ATOM 349 CA VAL A 33 9.970 -9.693 3.028 1.00 0.00 C ATOM 350 C VAL A 33 11.067 -10.401 3.746 1.00 0.00 C ATOM 351 O VAL A 33 11.388 -11.542 3.416 1.00 0.00 O ATOM 352 CB VAL A 33 10.434 -9.504 1.613 1.00 0.00 C ATOM 353 CG1 VAL A 33 9.372 -8.749 0.798 1.00 0.00 C ATOM 354 CG2 VAL A 33 11.800 -8.806 1.518 1.00 0.00 C ATOM 0 H VAL A 33 9.707 -7.651 3.063 1.00 0.00 H new ATOM 0 HA VAL A 33 9.068 -10.304 3.070 1.00 0.00 H new ATOM 0 HB VAL A 33 10.569 -10.498 1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 33 9.723 -8.620 -0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.443 -9.319 0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.196 -7.772 1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.081 -8.698 0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 33 11.738 -7.821 1.981 1.00 0.00 H new ATOM 0 HG23 VAL A 33 12.551 -9.403 2.036 1.00 0.00 H new ATOM 467 N GLY A 41 5.620 -9.085 1.138 1.00 0.00 N ATOM 468 CA GLY A 41 5.531 -7.688 0.849 1.00 0.00 C ATOM 469 C GLY A 41 5.531 -6.949 2.143 1.00 0.00 C ATOM 470 O GLY A 41 6.093 -7.441 3.121 1.00 0.00 O ATOM 0 HA2 GLY A 41 6.371 -7.373 0.230 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.622 -7.472 0.287 1.00 0.00 H new ATOM 474 N ILE A 42 4.880 -5.775 2.218 1.00 0.00 N ATOM 475 CA ILE A 42 4.636 -5.131 3.472 1.00 0.00 C ATOM 476 C ILE A 42 3.175 -5.254 3.733 1.00 0.00 C ATOM 477 O ILE A 42 2.391 -5.474 2.810 1.00 0.00 O ATOM 478 CB ILE A 42 5.173 -3.735 3.585 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.468 -3.336 5.040 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.271 -2.638 2.995 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.696 -4.023 5.636 1.00 0.00 C ATOM 0 H ILE A 42 4.521 -5.270 1.408 1.00 0.00 H new ATOM 0 HA ILE A 42 5.204 -5.630 4.257 1.00 0.00 H new ATOM 0 HB ILE A 42 6.087 -3.786 2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.609 -2.256 5.088 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.599 -3.572 5.654 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.747 -1.666 3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.117 -2.826 1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.309 -2.643 3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.837 -3.689 6.664 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.551 -5.103 5.622 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.577 -3.767 5.048 1.00 0.00 H new ATOM 493 N TYR A 43 2.726 -5.205 4.999 1.00 0.00 N ATOM 494 CA TYR A 43 1.363 -5.504 5.318 1.00 0.00 C ATOM 495 C TYR A 43 0.903 -4.481 6.298 1.00 0.00 C ATOM 496 O TYR A 43 1.694 -3.938 7.068 1.00 0.00 O ATOM 497 CB TYR A 43 1.229 -6.874 6.003 1.00 0.00 C ATOM 498 CG TYR A 43 1.793 -7.995 5.199 1.00 0.00 C ATOM 499 CD1 TYR A 43 3.150 -8.221 5.176 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.971 -8.836 4.489 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.685 -9.215 4.392 1.00 0.00 C ATOM 502 CE2 TYR A 43 1.489 -9.867 3.741 1.00 0.00 C ATOM 503 CZ TYR A 43 2.852 -10.042 3.676 1.00 0.00 C ATOM 504 OH TYR A 43 3.428 -11.066 2.896 1.00 0.00 O ATOM 0 H TYR A 43 3.305 -4.959 5.802 1.00 0.00 H new ATOM 0 HA TYR A 43 0.781 -5.509 4.396 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.733 -6.840 6.969 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.175 -7.072 6.200 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.803 -7.610 5.781 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.098 -8.685 4.519 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.756 -9.346 4.339 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.830 -10.536 3.208 1.00 0.00 H new ATOM 0 HH TYR A 43 4.084 -10.678 2.280 1.00 0.00 H new ATOM 514 N VAL A 44 -0.408 -4.181 6.346 1.00 0.00 N ATOM 515 CA VAL A 44 -0.941 -3.315 7.352 1.00 0.00 C ATOM 516 C VAL A 44 -1.129 -4.057 8.631 1.00 0.00 C ATOM 517 O VAL A 44 -1.711 -5.140 8.660 1.00 0.00 O ATOM 518 CB VAL A 44 -2.267 -2.749 6.939 1.00 0.00 C ATOM 519 CG1 VAL A 44 -2.608 -1.598 7.902 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.218 -2.259 5.483 1.00 0.00 C ATOM 0 H VAL A 44 -1.100 -4.539 5.687 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.227 -2.502 7.487 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.040 -3.516 6.990 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.570 -1.165 7.626 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.661 -1.980 8.921 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.835 -0.832 7.842 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.190 -1.852 5.203 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.458 -1.484 5.385 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.971 -3.093 4.826 1.00 0.00 H new ATOM 530 N LYS A 45 -0.649 -3.516 9.764 1.00 0.00 N ATOM 531 CA LYS A 45 -0.975 -4.025 11.061 1.00 0.00 C ATOM 532 C LYS A 45 -2.192 -3.348 11.592 1.00 0.00 C ATOM 533 O LYS A 45 -3.125 -3.996 12.064 1.00 0.00 O ATOM 534 CB LYS A 45 0.189 -3.836 12.049 1.00 0.00 C ATOM 535 CG LYS A 45 0.065 -4.687 13.315 1.00 0.00 C ATOM 536 CD LYS A 45 -0.402 -3.895 14.537 1.00 0.00 C ATOM 537 CE LYS A 45 -0.772 -4.783 15.727 1.00 0.00 C ATOM 538 NZ LYS A 45 -0.524 -4.085 17.009 1.00 0.00 N ATOM 0 H LYS A 45 -0.023 -2.711 9.781 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.167 -5.093 10.956 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.124 -4.082 11.546 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.247 -2.785 12.332 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.636 -5.501 13.129 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.031 -5.142 13.534 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.387 -3.206 14.838 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.266 -3.290 14.261 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.822 -5.066 15.661 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.190 -5.704 15.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.783 -4.709 17.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.483 -3.836 17.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.098 -3.219 17.049 1.00 0.00 H new ATOM 552 N ALA A 46 -2.209 -2.004 11.540 1.00 0.00 N ATOM 553 CA ALA A 46 -3.227 -1.191 12.130 1.00 0.00 C ATOM 554 C ALA A 46 -3.580 -0.075 11.208 1.00 0.00 C ATOM 555 O ALA A 46 -2.710 0.541 10.595 1.00 0.00 O ATOM 556 CB ALA A 46 -2.729 -0.641 13.477 1.00 0.00 C ATOM 0 H ALA A 46 -1.485 -1.462 11.068 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.119 -1.792 12.304 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.505 -0.021 13.926 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.495 -1.470 14.144 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.833 -0.041 13.316 1.00 0.00 H new ATOM 562 N ILE A 47 -4.888 0.208 11.091 1.00 0.00 N ATOM 563 CA ILE A 47 -5.448 1.340 10.420 1.00 0.00 C ATOM 564 C ILE A 47 -5.671 2.365 11.479 1.00 0.00 C ATOM 565 O ILE A 47 -6.092 2.047 12.590 1.00 0.00 O ATOM 566 CB ILE A 47 -6.743 1.019 9.734 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.617 -0.156 8.751 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.342 2.248 9.029 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.651 0.112 7.597 1.00 0.00 C ATOM 0 H ILE A 47 -5.604 -0.396 11.493 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.774 1.685 9.636 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.429 0.712 10.524 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.284 -1.040 9.295 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.602 -0.385 8.344 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.279 1.970 8.546 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.531 3.032 9.762 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.641 2.614 8.279 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.613 -0.760 6.944 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.994 0.976 7.028 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.656 0.311 7.994 1.00 0.00 H new ATOM 581 N ILE A 48 -5.347 3.641 11.203 1.00 0.00 N ATOM 582 CA ILE A 48 -5.509 4.688 12.164 1.00 0.00 C ATOM 583 C ILE A 48 -6.797 5.422 12.021 1.00 0.00 C ATOM 584 O ILE A 48 -7.315 5.545 10.913 1.00 0.00 O ATOM 585 CB ILE A 48 -4.387 5.681 12.104 1.00 0.00 C ATOM 586 CG1 ILE A 48 -4.306 6.370 10.731 1.00 0.00 C ATOM 587 CG2 ILE A 48 -3.107 4.944 12.534 1.00 0.00 C ATOM 588 CD1 ILE A 48 -3.099 7.293 10.576 1.00 0.00 C ATOM 0 H ILE A 48 -4.970 3.949 10.307 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.505 4.182 13.130 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.551 6.512 12.790 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.271 5.607 9.953 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.216 6.947 10.570 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.263 5.633 12.504 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.229 4.564 13.548 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.920 4.112 11.855 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.110 7.742 9.583 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.142 8.079 11.330 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.182 6.718 10.704 1.00 0.00 H new ATOM 643 N ALA A 52 -6.738 9.009 5.206 1.00 0.00 N ATOM 644 CA ALA A 52 -6.592 8.550 3.861 1.00 0.00 C ATOM 645 C ALA A 52 -6.761 7.098 3.571 1.00 0.00 C ATOM 646 O ALA A 52 -7.553 6.712 2.714 1.00 0.00 O ATOM 647 CB ALA A 52 -5.272 9.086 3.280 1.00 0.00 C ATOM 0 HA ALA A 52 -7.466 8.965 3.359 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.158 8.737 2.254 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.284 10.176 3.294 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.437 8.725 3.881 1.00 0.00 H new ATOM 653 N ALA A 53 -6.044 6.207 4.280 1.00 0.00 N ATOM 654 CA ALA A 53 -6.121 4.788 4.120 1.00 0.00 C ATOM 655 C ALA A 53 -7.354 4.159 4.669 1.00 0.00 C ATOM 656 O ALA A 53 -7.866 3.177 4.131 1.00 0.00 O ATOM 657 CB ALA A 53 -4.898 4.157 4.807 1.00 0.00 C ATOM 0 H ALA A 53 -5.379 6.490 4.999 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.145 4.603 3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.937 3.073 4.697 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.986 4.536 4.346 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.903 4.414 5.866 1.00 0.00 H new ATOM 663 N GLU A 54 -7.960 4.750 5.715 1.00 0.00 N ATOM 664 CA GLU A 54 -9.268 4.387 6.165 1.00 0.00 C ATOM 665 C GLU A 54 -10.299 4.750 5.153 1.00 0.00 C ATOM 666 O GLU A 54 -11.252 4.014 4.898 1.00 0.00 O ATOM 667 CB GLU A 54 -9.621 5.045 7.510 1.00 0.00 C ATOM 668 CG GLU A 54 -10.977 4.552 8.017 1.00 0.00 C ATOM 669 CD GLU A 54 -11.368 5.070 9.393 1.00 0.00 C ATOM 670 OE1 GLU A 54 -11.666 6.287 9.528 1.00 0.00 O ATOM 671 OE2 GLU A 54 -11.487 4.238 10.332 1.00 0.00 O ATOM 0 H GLU A 54 -7.531 5.497 6.260 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.260 3.306 6.305 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.849 4.818 8.245 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.643 6.129 7.395 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.745 4.845 7.302 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.965 3.462 8.044 1.00 0.00 H new ATOM 678 N SER A 55 -10.108 5.901 4.483 1.00 0.00 N ATOM 679 CA SER A 55 -11.010 6.421 3.503 1.00 0.00 C ATOM 680 C SER A 55 -11.101 5.689 2.208 1.00 0.00 C ATOM 681 O SER A 55 -11.927 6.058 1.375 1.00 0.00 O ATOM 682 CB SER A 55 -10.715 7.889 3.153 1.00 0.00 C ATOM 683 OG SER A 55 -10.788 8.722 4.301 1.00 0.00 O ATOM 0 H SER A 55 -9.291 6.494 4.631 1.00 0.00 H new ATOM 0 HA SER A 55 -11.963 6.296 4.017 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.723 7.966 2.709 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.427 8.236 2.404 1.00 0.00 H new ATOM 0 HG SER A 55 -10.594 9.648 4.046 1.00 0.00 H new ATOM 689 N ASP A 56 -10.348 4.606 1.946 1.00 0.00 N ATOM 690 CA ASP A 56 -10.638 3.731 0.852 1.00 0.00 C ATOM 691 C ASP A 56 -11.866 2.942 1.149 1.00 0.00 C ATOM 692 O ASP A 56 -12.967 3.271 0.710 1.00 0.00 O ATOM 693 CB ASP A 56 -9.432 2.821 0.561 1.00 0.00 C ATOM 694 CG ASP A 56 -9.776 1.894 -0.596 1.00 0.00 C ATOM 695 OD1 ASP A 56 -10.109 2.417 -1.693 1.00 0.00 O ATOM 696 OD2 ASP A 56 -9.851 0.657 -0.371 1.00 0.00 O ATOM 0 H ASP A 56 -9.533 4.335 2.496 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.826 4.321 -0.045 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.558 3.423 0.313 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.178 2.239 1.447 1.00 0.00 H new ATOM 701 N GLY A 57 -11.722 1.832 1.894 1.00 0.00 N ATOM 702 CA GLY A 57 -12.833 1.048 2.335 1.00 0.00 C ATOM 703 C GLY A 57 -12.480 -0.397 2.431 1.00 0.00 C ATOM 704 O GLY A 57 -12.882 -1.091 3.362 1.00 0.00 O ATOM 0 H GLY A 57 -10.817 1.472 2.196 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.169 1.407 3.308 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.666 1.175 1.644 1.00 0.00 H new ATOM 708 N ARG A 58 -11.719 -0.904 1.444 1.00 0.00 N ATOM 709 CA ARG A 58 -11.370 -2.289 1.362 1.00 0.00 C ATOM 710 C ARG A 58 -10.169 -2.639 2.171 1.00 0.00 C ATOM 711 O ARG A 58 -9.969 -3.808 2.499 1.00 0.00 O ATOM 712 CB ARG A 58 -11.204 -2.683 -0.116 1.00 0.00 C ATOM 713 CG ARG A 58 -12.550 -2.979 -0.777 1.00 0.00 C ATOM 714 CD ARG A 58 -12.494 -3.154 -2.297 1.00 0.00 C ATOM 715 NE ARG A 58 -12.707 -1.809 -2.900 1.00 0.00 N ATOM 716 CZ ARG A 58 -13.950 -1.303 -3.148 1.00 0.00 C ATOM 717 NH1 ARG A 58 -15.026 -2.101 -3.405 1.00 0.00 N ATOM 718 NH2 ARG A 58 -14.176 0.043 -3.118 1.00 0.00 N ATOM 0 H ARG A 58 -11.337 -0.339 0.686 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.183 -2.868 1.799 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.704 -1.877 -0.653 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.562 -3.561 -0.189 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.964 -3.886 -0.336 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.240 -2.168 -0.544 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -11.532 -3.565 -2.602 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.260 -3.853 -2.633 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.892 -1.244 -3.137 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -14.918 -3.115 -3.417 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.939 -1.684 -3.586 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.411 0.684 -2.908 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -15.110 0.408 -3.305 1.00 0.00 H new ATOM 732 N ILE A 59 -9.339 -1.653 2.555 1.00 0.00 N ATOM 733 CA ILE A 59 -8.194 -1.829 3.394 1.00 0.00 C ATOM 734 C ILE A 59 -8.602 -2.021 4.814 1.00 0.00 C ATOM 735 O ILE A 59 -9.346 -1.226 5.387 1.00 0.00 O ATOM 736 CB ILE A 59 -7.253 -0.663 3.335 1.00 0.00 C ATOM 737 CG1 ILE A 59 -7.032 -0.163 1.898 1.00 0.00 C ATOM 738 CG2 ILE A 59 -5.922 -1.065 3.992 1.00 0.00 C ATOM 739 CD1 ILE A 59 -6.150 1.082 1.815 1.00 0.00 C ATOM 0 H ILE A 59 -9.473 -0.684 2.266 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.681 -2.715 3.019 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.698 0.169 3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.578 -0.960 1.310 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.999 0.056 1.445 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.229 -0.224 3.955 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.099 -1.344 5.031 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.493 -1.912 3.457 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.037 1.379 0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.613 1.894 2.375 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.170 0.862 2.238 1.00 0.00 H new ATOM 751 N HIS A 60 -8.101 -3.111 5.425 1.00 0.00 N ATOM 752 CA HIS A 60 -8.312 -3.470 6.792 1.00 0.00 C ATOM 753 C HIS A 60 -7.010 -3.748 7.462 1.00 0.00 C ATOM 754 O HIS A 60 -5.933 -3.658 6.876 1.00 0.00 O ATOM 755 CB HIS A 60 -9.214 -4.713 6.875 1.00 0.00 C ATOM 756 CG HIS A 60 -10.672 -4.358 6.847 1.00 0.00 C ATOM 757 ND1 HIS A 60 -11.394 -4.423 8.021 1.00 0.00 N ATOM 758 CD2 HIS A 60 -11.443 -3.870 5.838 1.00 0.00 C ATOM 759 CE1 HIS A 60 -12.591 -3.959 7.716 1.00 0.00 C ATOM 760 NE2 HIS A 60 -12.674 -3.608 6.405 1.00 0.00 N ATOM 0 H HIS A 60 -7.512 -3.782 4.932 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.799 -2.637 7.299 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.988 -5.380 6.043 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.992 -5.260 7.791 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -11.153 -3.719 4.809 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -13.404 -3.869 8.421 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -13.491 -3.224 5.930 1.00 0.00 H new ATOM 768 N LYS A 61 -7.065 -4.111 8.756 1.00 0.00 N ATOM 769 CA LYS A 61 -5.936 -4.422 9.576 1.00 0.00 C ATOM 770 C LYS A 61 -5.380 -5.775 9.290 1.00 0.00 C ATOM 771 O LYS A 61 -5.501 -6.699 10.093 1.00 0.00 O ATOM 772 CB LYS A 61 -6.343 -4.330 11.056 1.00 0.00 C ATOM 773 CG LYS A 61 -6.897 -2.961 11.454 1.00 0.00 C ATOM 774 CD LYS A 61 -7.171 -2.808 12.951 1.00 0.00 C ATOM 775 CE LYS A 61 -8.295 -3.697 13.487 1.00 0.00 C ATOM 776 NZ LYS A 61 -8.501 -3.450 14.932 1.00 0.00 N ATOM 0 H LYS A 61 -7.949 -4.192 9.258 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.153 -3.698 9.350 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.094 -5.092 11.266 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.477 -4.557 11.677 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.190 -2.191 11.145 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.822 -2.783 10.906 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.256 -3.032 13.499 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.419 -1.767 13.157 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.217 -3.497 12.942 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.048 -4.746 13.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.267 -4.060 15.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.624 -3.663 15.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.757 -2.453 15.081 1.00 0.00 H new ATOM 790 N GLY A 62 -4.739 -5.967 8.124 1.00 0.00 N ATOM 791 CA GLY A 62 -4.168 -7.231 7.777 1.00 0.00 C ATOM 792 C GLY A 62 -3.760 -7.410 6.355 1.00 0.00 C ATOM 793 O GLY A 62 -3.062 -8.368 6.026 1.00 0.00 O ATOM 0 H GLY A 62 -4.616 -5.242 7.417 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.293 -7.394 8.406 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.888 -8.010 8.026 1.00 0.00 H new ATOM 797 N ASP A 63 -4.177 -6.518 5.437 1.00 0.00 N ATOM 798 CA ASP A 63 -3.948 -6.682 4.036 1.00 0.00 C ATOM 799 C ASP A 63 -2.536 -6.499 3.599 1.00 0.00 C ATOM 800 O ASP A 63 -1.718 -5.864 4.262 1.00 0.00 O ATOM 801 CB ASP A 63 -4.859 -5.733 3.239 1.00 0.00 C ATOM 802 CG ASP A 63 -6.315 -6.081 3.511 1.00 0.00 C ATOM 803 OD1 ASP A 63 -6.699 -7.276 3.396 1.00 0.00 O ATOM 804 OD2 ASP A 63 -7.113 -5.175 3.869 1.00 0.00 O ATOM 0 H ASP A 63 -4.684 -5.665 5.674 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.187 -7.725 3.830 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.662 -4.699 3.522 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.647 -5.817 2.173 1.00 0.00 H new ATOM 809 N ARG A 64 -2.196 -7.085 2.437 1.00 0.00 N ATOM 810 CA ARG A 64 -0.887 -7.086 1.862 1.00 0.00 C ATOM 811 C ARG A 64 -0.739 -5.944 0.917 1.00 0.00 C ATOM 812 O ARG A 64 -1.555 -5.733 0.021 1.00 0.00 O ATOM 813 CB ARG A 64 -0.645 -8.413 1.123 1.00 0.00 C ATOM 814 CG ARG A 64 0.605 -8.497 0.245 1.00 0.00 C ATOM 815 CD ARG A 64 0.726 -9.803 -0.542 1.00 0.00 C ATOM 816 NE ARG A 64 1.873 -9.646 -1.481 1.00 0.00 N ATOM 817 CZ ARG A 64 1.892 -10.068 -2.779 1.00 0.00 C ATOM 818 NH1 ARG A 64 0.850 -10.703 -3.389 1.00 0.00 N ATOM 819 NH2 ARG A 64 2.994 -9.799 -3.538 1.00 0.00 N ATOM 0 H ARG A 64 -2.876 -7.587 1.866 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.151 -6.979 2.659 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.593 -9.210 1.865 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.514 -8.616 0.497 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.601 -7.662 -0.455 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.487 -8.381 0.875 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.892 -10.644 0.131 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.194 -10.009 -1.089 1.00 0.00 H new ATOM 0 HE ARG A 64 2.711 -9.186 -1.125 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.009 -10.888 -2.870 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.930 -10.993 -4.364 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.781 -9.292 -3.133 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.030 -10.105 -4.510 1.00 0.00 H new ATOM 833 N VAL A 65 0.348 -5.165 1.056 1.00 0.00 N ATOM 834 CA VAL A 65 0.788 -4.189 0.107 1.00 0.00 C ATOM 835 C VAL A 65 1.831 -4.823 -0.746 1.00 0.00 C ATOM 836 O VAL A 65 2.846 -5.300 -0.239 1.00 0.00 O ATOM 837 CB VAL A 65 1.373 -2.952 0.723 1.00 0.00 C ATOM 838 CG1 VAL A 65 1.281 -1.795 -0.287 1.00 0.00 C ATOM 839 CG2 VAL A 65 0.720 -2.618 2.075 1.00 0.00 C ATOM 0 H VAL A 65 0.953 -5.219 1.875 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.090 -3.871 -0.455 1.00 0.00 H new ATOM 0 HB VAL A 65 2.425 -3.126 0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.704 -0.893 0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.837 -2.054 -1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.236 -1.618 -0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.174 -1.716 2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.348 -2.455 1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.871 -3.447 2.767 1.00 0.00 H new ATOM 849 N LEU A 66 1.638 -4.861 -2.076 1.00 0.00 N ATOM 850 CA LEU A 66 2.612 -5.351 -3.000 1.00 0.00 C ATOM 851 C LEU A 66 3.310 -4.266 -3.746 1.00 0.00 C ATOM 852 O LEU A 66 4.491 -4.408 -4.058 1.00 0.00 O ATOM 853 CB LEU A 66 2.059 -6.423 -3.955 1.00 0.00 C ATOM 854 CG LEU A 66 0.754 -6.141 -4.718 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.737 -6.926 -6.041 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.474 -6.548 -3.889 1.00 0.00 C ATOM 0 H LEU A 66 0.778 -4.541 -2.522 1.00 0.00 H new ATOM 0 HA LEU A 66 3.362 -5.841 -2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.832 -6.636 -4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.911 -7.335 -3.376 1.00 0.00 H new ATOM 0 HG LEU A 66 0.711 -5.070 -4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.191 -6.720 -6.574 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.584 -6.622 -6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.806 -7.993 -5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.381 -6.337 -4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.425 -7.614 -3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.488 -5.983 -2.957 1.00 0.00 H new ATOM 868 N ALA A 67 2.649 -3.136 -4.052 1.00 0.00 N ATOM 869 CA ALA A 67 3.314 -2.092 -4.767 1.00 0.00 C ATOM 870 C ALA A 67 2.774 -0.740 -4.450 1.00 0.00 C ATOM 871 O ALA A 67 1.673 -0.602 -3.921 1.00 0.00 O ATOM 872 CB ALA A 67 3.255 -2.349 -6.282 1.00 0.00 C ATOM 0 H ALA A 67 1.676 -2.947 -3.811 1.00 0.00 H new ATOM 0 HA ALA A 67 4.354 -2.104 -4.440 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.767 -1.543 -6.808 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.742 -3.297 -6.509 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.214 -2.389 -6.604 1.00 0.00 H new ATOM 878 N VAL A 68 3.555 0.322 -4.716 1.00 0.00 N ATOM 879 CA VAL A 68 3.217 1.666 -4.369 1.00 0.00 C ATOM 880 C VAL A 68 3.614 2.631 -5.434 1.00 0.00 C ATOM 881 O VAL A 68 4.787 2.673 -5.799 1.00 0.00 O ATOM 882 CB VAL A 68 3.893 2.127 -3.112 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.229 3.438 -2.657 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.801 1.068 -1.999 1.00 0.00 C ATOM 0 H VAL A 68 4.455 0.241 -5.190 1.00 0.00 H new ATOM 0 HA VAL A 68 2.136 1.650 -4.234 1.00 0.00 H new ATOM 0 HB VAL A 68 4.952 2.288 -3.315 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.707 3.790 -1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.339 4.191 -3.437 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.170 3.263 -2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.302 1.437 -1.104 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.754 0.868 -1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.283 0.148 -2.331 1.00 0.00 H new ATOM 894 N ASN A 69 2.701 3.449 -5.989 1.00 0.00 N ATOM 895 CA ASN A 69 2.974 4.381 -7.038 1.00 0.00 C ATOM 896 C ASN A 69 3.528 3.728 -8.257 1.00 0.00 C ATOM 897 O ASN A 69 4.333 4.287 -9.002 1.00 0.00 O ATOM 898 CB ASN A 69 3.810 5.562 -6.514 1.00 0.00 C ATOM 899 CG ASN A 69 3.658 6.831 -7.339 1.00 0.00 C ATOM 900 OD1 ASN A 69 2.934 6.902 -8.331 1.00 0.00 O ATOM 901 ND2 ASN A 69 4.365 7.913 -6.916 1.00 0.00 N ATOM 0 H ASN A 69 1.726 3.460 -5.691 1.00 0.00 H new ATOM 0 HA ASN A 69 2.027 4.803 -7.373 1.00 0.00 H new ATOM 0 HB2 ASN A 69 3.521 5.772 -5.484 1.00 0.00 H new ATOM 0 HB3 ASN A 69 4.861 5.273 -6.498 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.298 8.796 -7.423 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.962 7.842 -6.092 1.00 0.00 H new ATOM 908 N GLY A 70 3.124 2.465 -8.480 1.00 0.00 N ATOM 909 CA GLY A 70 3.608 1.604 -9.513 1.00 0.00 C ATOM 910 C GLY A 70 4.961 1.033 -9.260 1.00 0.00 C ATOM 911 O GLY A 70 5.644 0.616 -10.194 1.00 0.00 O ATOM 0 H GLY A 70 2.414 2.017 -7.901 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.901 0.785 -9.646 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.632 2.160 -10.450 1.00 0.00 H new ATOM 915 N VAL A 71 5.406 1.000 -7.991 1.00 0.00 N ATOM 916 CA VAL A 71 6.699 0.536 -7.595 1.00 0.00 C ATOM 917 C VAL A 71 6.502 -0.596 -6.647 1.00 0.00 C ATOM 918 O VAL A 71 6.060 -0.425 -5.511 1.00 0.00 O ATOM 919 CB VAL A 71 7.573 1.556 -6.928 1.00 0.00 C ATOM 920 CG1 VAL A 71 8.996 0.993 -6.774 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.615 2.837 -7.779 1.00 0.00 C ATOM 0 H VAL A 71 4.837 1.312 -7.204 1.00 0.00 H new ATOM 0 HA VAL A 71 7.217 0.257 -8.513 1.00 0.00 H new ATOM 0 HB VAL A 71 7.168 1.790 -5.944 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.630 1.735 -6.289 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.966 0.089 -6.166 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.402 0.756 -7.757 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.251 3.577 -7.292 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.017 2.606 -8.765 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.607 3.238 -7.883 1.00 0.00 H new ATOM 931 N SER A 72 6.824 -1.829 -7.076 1.00 0.00 N ATOM 932 CA SER A 72 6.791 -3.005 -6.264 1.00 0.00 C ATOM 933 C SER A 72 7.702 -2.945 -5.087 1.00 0.00 C ATOM 934 O SER A 72 8.804 -2.399 -5.117 1.00 0.00 O ATOM 935 CB SER A 72 7.167 -4.283 -7.036 1.00 0.00 C ATOM 936 OG SER A 72 6.145 -4.745 -7.905 1.00 0.00 O ATOM 0 H SER A 72 7.121 -2.014 -8.034 1.00 0.00 H new ATOM 0 HA SER A 72 5.753 -3.044 -5.934 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.069 -4.093 -7.618 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.408 -5.071 -6.322 1.00 0.00 H new ATOM 0 HG SER A 72 6.448 -5.556 -8.364 1.00 0.00 H new ATOM 942 N LEU A 73 7.280 -3.571 -3.974 1.00 0.00 N ATOM 943 CA LEU A 73 8.071 -3.749 -2.796 1.00 0.00 C ATOM 944 C LEU A 73 9.022 -4.882 -2.978 1.00 0.00 C ATOM 945 O LEU A 73 8.936 -5.925 -2.331 1.00 0.00 O ATOM 946 CB LEU A 73 7.125 -3.966 -1.602 1.00 0.00 C ATOM 947 CG LEU A 73 6.413 -2.683 -1.141 1.00 0.00 C ATOM 948 CD1 LEU A 73 5.043 -3.015 -0.525 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.214 -1.887 -0.097 1.00 0.00 C ATOM 0 H LEU A 73 6.345 -3.971 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 73 8.675 -2.863 -2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.376 -4.710 -1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.694 -4.376 -0.768 1.00 0.00 H new ATOM 0 HG LEU A 73 6.306 -2.071 -2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.555 -2.094 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.422 -3.516 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.180 -3.671 0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.656 -0.994 0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.379 -2.506 0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.175 -1.596 -0.521 1.00 0.00 H new ATOM 961 N GLU A 74 9.978 -4.742 -3.913 1.00 0.00 N ATOM 962 CA GLU A 74 10.923 -5.753 -4.272 1.00 0.00 C ATOM 963 C GLU A 74 12.082 -5.757 -3.337 1.00 0.00 C ATOM 964 O GLU A 74 13.011 -4.958 -3.440 1.00 0.00 O ATOM 965 CB GLU A 74 11.470 -5.593 -5.701 1.00 0.00 C ATOM 966 CG GLU A 74 10.394 -5.594 -6.789 1.00 0.00 C ATOM 967 CD GLU A 74 10.992 -5.744 -8.181 1.00 0.00 C ATOM 968 OE1 GLU A 74 11.870 -4.924 -8.563 1.00 0.00 O ATOM 969 OE2 GLU A 74 10.616 -6.705 -8.904 1.00 0.00 O ATOM 0 H GLU A 74 10.098 -3.880 -4.445 1.00 0.00 H new ATOM 0 HA GLU A 74 10.373 -6.693 -4.214 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.030 -4.660 -5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.174 -6.401 -5.901 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.693 -6.409 -6.606 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.825 -4.666 -6.737 1.00 0.00 H new ATOM 976 N GLY A 75 12.055 -6.677 -2.355 1.00 0.00 N ATOM 977 CA GLY A 75 13.077 -6.770 -1.360 1.00 0.00 C ATOM 978 C GLY A 75 12.766 -5.982 -0.134 1.00 0.00 C ATOM 979 O GLY A 75 13.581 -5.911 0.784 1.00 0.00 O ATOM 0 H GLY A 75 11.311 -7.367 -2.251 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.218 -7.816 -1.088 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.020 -6.421 -1.781 1.00 0.00 H new ATOM 983 N ALA A 76 11.576 -5.361 -0.056 1.00 0.00 N ATOM 984 CA ALA A 76 11.291 -4.425 0.987 1.00 0.00 C ATOM 985 C ALA A 76 10.964 -5.031 2.307 1.00 0.00 C ATOM 986 O ALA A 76 10.119 -5.910 2.469 1.00 0.00 O ATOM 987 CB ALA A 76 10.212 -3.409 0.576 1.00 0.00 C ATOM 0 H ALA A 76 10.811 -5.507 -0.715 1.00 0.00 H new ATOM 0 HA ALA A 76 12.236 -3.900 1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.029 -2.719 1.400 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.551 -2.851 -0.296 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.289 -3.936 0.333 1.00 0.00 H new ATOM 993 N THR A 77 11.669 -4.537 3.342 1.00 0.00 N ATOM 994 CA THR A 77 11.584 -4.918 4.718 1.00 0.00 C ATOM 995 C THR A 77 10.618 -3.999 5.385 1.00 0.00 C ATOM 996 O THR A 77 9.921 -3.232 4.722 1.00 0.00 O ATOM 997 CB THR A 77 12.911 -4.755 5.397 1.00 0.00 C ATOM 998 OG1 THR A 77 13.404 -3.425 5.345 1.00 0.00 O ATOM 999 CG2 THR A 77 13.944 -5.607 4.640 1.00 0.00 C ATOM 0 H THR A 77 12.362 -3.803 3.199 1.00 0.00 H new ATOM 0 HA THR A 77 11.272 -5.960 4.783 1.00 0.00 H new ATOM 0 HB THR A 77 12.769 -5.046 6.438 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.269 -3.378 5.804 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.919 -5.505 5.116 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.638 -6.653 4.661 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.008 -5.268 3.606 1.00 0.00 H new ATOM 1007 N HIS A 78 10.584 -3.950 6.727 1.00 0.00 N ATOM 1008 CA HIS A 78 9.935 -2.892 7.438 1.00 0.00 C ATOM 1009 C HIS A 78 10.490 -1.550 7.106 1.00 0.00 C ATOM 1010 O HIS A 78 9.741 -0.634 6.770 1.00 0.00 O ATOM 1011 CB HIS A 78 9.967 -3.092 8.963 1.00 0.00 C ATOM 1012 CG HIS A 78 9.499 -1.920 9.773 1.00 0.00 C ATOM 1013 ND1 HIS A 78 8.184 -1.586 9.963 1.00 0.00 N ATOM 1014 CD2 HIS A 78 10.237 -0.885 10.257 1.00 0.00 C ATOM 1015 CE1 HIS A 78 8.121 -0.397 10.530 1.00 0.00 C ATOM 1016 NE2 HIS A 78 9.349 0.050 10.718 1.00 0.00 N ATOM 0 H HIS A 78 11.012 -4.654 7.328 1.00 0.00 H new ATOM 0 HA HIS A 78 8.898 -2.930 7.106 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.350 -3.955 9.213 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.988 -3.334 9.260 1.00 0.00 H new ATOM 0 HD1 HIS A 78 7.383 -2.164 9.707 1.00 0.00 H new ATOM 0 HD2 HIS A 78 11.315 -0.814 10.274 1.00 0.00 H new ATOM 0 HE1 HIS A 78 7.214 0.125 10.797 1.00 0.00 H new ATOM 1025 N LYS A 79 11.823 -1.373 7.153 1.00 0.00 N ATOM 1026 CA LYS A 79 12.458 -0.115 6.908 1.00 0.00 C ATOM 1027 C LYS A 79 12.392 0.337 5.490 1.00 0.00 C ATOM 1028 O LYS A 79 12.072 1.494 5.217 1.00 0.00 O ATOM 1029 CB LYS A 79 13.928 -0.149 7.356 1.00 0.00 C ATOM 1030 CG LYS A 79 14.069 -0.417 8.857 1.00 0.00 C ATOM 1031 CD LYS A 79 15.422 0.048 9.400 1.00 0.00 C ATOM 1032 CE LYS A 79 15.481 -0.003 10.928 1.00 0.00 C ATOM 1033 NZ LYS A 79 16.659 0.746 11.422 1.00 0.00 N ATOM 0 H LYS A 79 12.477 -2.126 7.367 1.00 0.00 H new ATOM 0 HA LYS A 79 11.893 0.607 7.498 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.458 -0.922 6.799 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.402 0.802 7.112 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.269 0.094 9.393 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.950 -1.484 9.047 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.212 -0.579 8.987 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.615 1.067 9.065 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.569 0.421 11.348 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.534 -1.039 11.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.687 0.703 12.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.527 0.323 11.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.592 1.738 11.118 1.00 0.00 H new ATOM 1047 N GLN A 80 12.667 -0.552 4.520 1.00 0.00 N ATOM 1048 CA GLN A 80 12.585 -0.231 3.128 1.00 0.00 C ATOM 1049 C GLN A 80 11.187 -0.014 2.663 1.00 0.00 C ATOM 1050 O GLN A 80 10.943 0.837 1.809 1.00 0.00 O ATOM 1051 CB GLN A 80 13.281 -1.359 2.348 1.00 0.00 C ATOM 1052 CG GLN A 80 13.400 -1.066 0.851 1.00 0.00 C ATOM 1053 CD GLN A 80 14.134 -2.173 0.108 1.00 0.00 C ATOM 1054 OE1 GLN A 80 14.842 -2.983 0.704 1.00 0.00 O ATOM 1055 NE2 GLN A 80 13.966 -2.232 -1.240 1.00 0.00 N ATOM 0 H GLN A 80 12.952 -1.514 4.705 1.00 0.00 H new ATOM 0 HA GLN A 80 13.087 0.720 2.948 1.00 0.00 H new ATOM 0 HB2 GLN A 80 14.277 -1.518 2.762 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.726 -2.286 2.488 1.00 0.00 H new ATOM 0 HG2 GLN A 80 12.404 -0.943 0.426 1.00 0.00 H new ATOM 0 HG3 GLN A 80 13.927 -0.123 0.707 1.00 0.00 H new ATOM 0 HE21 GLN A 80 13.373 -1.548 -1.710 1.00 0.00 H new ATOM 0 HE22 GLN A 80 14.433 -2.960 -1.781 1.00 0.00 H new ATOM 1064 N ALA A 81 10.188 -0.717 3.229 1.00 0.00 N ATOM 1065 CA ALA A 81 8.815 -0.453 2.933 1.00 0.00 C ATOM 1066 C ALA A 81 8.333 0.879 3.395 1.00 0.00 C ATOM 1067 O ALA A 81 7.596 1.538 2.664 1.00 0.00 O ATOM 1068 CB ALA A 81 7.876 -1.492 3.568 1.00 0.00 C ATOM 0 H ALA A 81 10.335 -1.474 3.897 1.00 0.00 H new ATOM 0 HA ALA A 81 8.784 -0.492 1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.843 -1.251 3.316 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.120 -2.484 3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.998 -1.479 4.651 1.00 0.00 H new ATOM 1074 N VAL A 82 8.759 1.341 4.585 1.00 0.00 N ATOM 1075 CA VAL A 82 8.487 2.675 5.024 1.00 0.00 C ATOM 1076 C VAL A 82 8.986 3.657 4.021 1.00 0.00 C ATOM 1077 O VAL A 82 8.186 4.457 3.537 1.00 0.00 O ATOM 1078 CB VAL A 82 9.023 3.066 6.368 1.00 0.00 C ATOM 1079 CG1 VAL A 82 8.827 4.567 6.640 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.279 2.284 7.462 1.00 0.00 C ATOM 0 H VAL A 82 9.297 0.784 5.249 1.00 0.00 H new ATOM 0 HA VAL A 82 7.402 2.690 5.127 1.00 0.00 H new ATOM 0 HB VAL A 82 10.089 2.839 6.377 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.227 4.814 7.623 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.350 5.146 5.879 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.764 4.806 6.611 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.668 2.567 8.440 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.215 2.514 7.414 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.426 1.215 7.309 1.00 0.00 H new ATOM 1090 N GLU A 83 10.259 3.608 3.590 1.00 0.00 N ATOM 1091 CA GLU A 83 10.760 4.504 2.595 1.00 0.00 C ATOM 1092 C GLU A 83 10.026 4.490 1.299 1.00 0.00 C ATOM 1093 O GLU A 83 9.729 5.544 0.739 1.00 0.00 O ATOM 1094 CB GLU A 83 12.270 4.319 2.363 1.00 0.00 C ATOM 1095 CG GLU A 83 13.078 4.536 3.644 1.00 0.00 C ATOM 1096 CD GLU A 83 14.571 4.652 3.375 1.00 0.00 C ATOM 1097 OE1 GLU A 83 15.002 5.682 2.790 1.00 0.00 O ATOM 1098 OE2 GLU A 83 15.333 3.728 3.767 1.00 0.00 O ATOM 0 H GLU A 83 10.948 2.940 3.935 1.00 0.00 H new ATOM 0 HA GLU A 83 10.580 5.492 3.019 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.458 3.315 1.982 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.608 5.019 1.599 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.730 5.441 4.141 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.898 3.707 4.329 1.00 0.00 H new ATOM 1105 N THR A 84 9.620 3.314 0.788 1.00 0.00 N ATOM 1106 CA THR A 84 8.823 3.159 -0.389 1.00 0.00 C ATOM 1107 C THR A 84 7.463 3.764 -0.319 1.00 0.00 C ATOM 1108 O THR A 84 6.948 4.226 -1.336 1.00 0.00 O ATOM 1109 CB THR A 84 8.836 1.729 -0.843 1.00 0.00 C ATOM 1110 OG1 THR A 84 10.145 1.409 -1.290 1.00 0.00 O ATOM 1111 CG2 THR A 84 7.904 1.358 -2.009 1.00 0.00 C ATOM 0 H THR A 84 9.862 2.422 1.221 1.00 0.00 H new ATOM 0 HA THR A 84 9.297 3.759 -1.166 1.00 0.00 H new ATOM 0 HB THR A 84 8.488 1.178 0.030 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.699 1.152 -0.523 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.011 0.297 -2.237 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.871 1.567 -1.730 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.169 1.946 -2.888 1.00 0.00 H new ATOM 1119 N LEU A 85 6.837 3.872 0.866 1.00 0.00 N ATOM 1120 CA LEU A 85 5.609 4.566 1.104 1.00 0.00 C ATOM 1121 C LEU A 85 5.757 6.000 1.476 1.00 0.00 C ATOM 1122 O LEU A 85 4.990 6.861 1.049 1.00 0.00 O ATOM 1123 CB LEU A 85 4.866 3.856 2.249 1.00 0.00 C ATOM 1124 CG LEU A 85 4.425 2.415 1.938 1.00 0.00 C ATOM 1125 CD1 LEU A 85 4.252 1.599 3.230 1.00 0.00 C ATOM 1126 CD2 LEU A 85 3.101 2.381 1.157 1.00 0.00 C ATOM 0 H LEU A 85 7.214 3.447 1.713 1.00 0.00 H new ATOM 0 HA LEU A 85 5.067 4.547 0.159 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.511 3.842 3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.985 4.442 2.510 1.00 0.00 H new ATOM 0 HG LEU A 85 5.212 1.975 1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.940 0.585 2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.199 1.565 3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.494 2.068 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.823 1.346 0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.319 2.859 1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.221 2.914 0.214 1.00 0.00 H new ATOM 1138 N ARG A 86 6.750 6.326 2.324 1.00 0.00 N ATOM 1139 CA ARG A 86 7.036 7.590 2.929 1.00 0.00 C ATOM 1140 C ARG A 86 7.662 8.567 1.995 1.00 0.00 C ATOM 1141 O ARG A 86 7.287 9.739 1.967 1.00 0.00 O ATOM 1142 CB ARG A 86 7.942 7.346 4.147 1.00 0.00 C ATOM 1143 CG ARG A 86 8.408 8.575 4.929 1.00 0.00 C ATOM 1144 CD ARG A 86 9.862 8.874 4.560 1.00 0.00 C ATOM 1145 NE ARG A 86 10.288 10.121 5.255 1.00 0.00 N ATOM 1146 CZ ARG A 86 11.572 10.586 5.289 1.00 0.00 C ATOM 1147 NH1 ARG A 86 12.623 9.914 4.734 1.00 0.00 N ATOM 1148 NH2 ARG A 86 11.817 11.778 5.906 1.00 0.00 N ATOM 0 H ARG A 86 7.427 5.621 2.616 1.00 0.00 H new ATOM 0 HA ARG A 86 6.091 8.041 3.230 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.412 6.688 4.836 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.826 6.806 3.808 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.776 9.432 4.696 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.320 8.396 6.001 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.504 8.042 4.851 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.961 8.991 3.481 1.00 0.00 H new ATOM 0 HE ARG A 86 9.573 10.664 5.738 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.468 9.021 4.266 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.564 10.305 4.787 1.00 0.00 H new ATOM 0 HH21 ARG A 86 11.050 12.301 6.329 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.767 12.146 5.945 1.00 0.00 H new ATOM 1162 N ASN A 87 8.651 8.151 1.185 1.00 0.00 N ATOM 1163 CA ASN A 87 9.485 9.004 0.395 1.00 0.00 C ATOM 1164 C ASN A 87 8.879 9.276 -0.939 1.00 0.00 C ATOM 1165 O ASN A 87 9.550 9.313 -1.969 1.00 0.00 O ATOM 1166 CB ASN A 87 10.846 8.299 0.267 1.00 0.00 C ATOM 1167 CG ASN A 87 12.028 9.210 -0.032 1.00 0.00 C ATOM 1168 OD1 ASN A 87 11.981 10.439 -0.020 1.00 0.00 O ATOM 1169 ND2 ASN A 87 13.189 8.552 -0.295 1.00 0.00 N ATOM 0 H ASN A 87 8.882 7.164 1.075 1.00 0.00 H new ATOM 0 HA ASN A 87 9.602 9.978 0.871 1.00 0.00 H new ATOM 0 HB2 ASN A 87 11.047 7.764 1.195 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.776 7.552 -0.523 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.041 9.078 -0.487 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.207 7.532 -0.300 1.00 0.00 H new ATOM 1176 N THR A 88 7.547 9.452 -0.963 1.00 0.00 N ATOM 1177 CA THR A 88 6.725 9.597 -2.123 1.00 0.00 C ATOM 1178 C THR A 88 6.204 10.986 -2.272 1.00 0.00 C ATOM 1179 O THR A 88 6.266 11.809 -1.359 1.00 0.00 O ATOM 1180 CB THR A 88 5.589 8.621 -2.051 1.00 0.00 C ATOM 1181 OG1 THR A 88 4.808 8.808 -0.880 1.00 0.00 O ATOM 1182 CG2 THR A 88 6.161 7.195 -1.966 1.00 0.00 C ATOM 0 H THR A 88 7.003 9.496 -0.102 1.00 0.00 H new ATOM 0 HA THR A 88 7.339 9.390 -3.000 1.00 0.00 H new ATOM 0 HB THR A 88 4.972 8.774 -2.937 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.876 8.013 -0.311 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.342 6.477 -1.913 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.765 6.992 -2.850 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.781 7.104 -1.074 1.00 0.00 H new ATOM 1190 N GLY A 89 5.656 11.325 -3.452 1.00 0.00 N ATOM 1191 CA GLY A 89 5.249 12.649 -3.805 1.00 0.00 C ATOM 1192 C GLY A 89 3.998 13.132 -3.155 1.00 0.00 C ATOM 1193 O GLY A 89 4.030 13.734 -2.083 1.00 0.00 O ATOM 0 H GLY A 89 5.489 10.645 -4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.056 13.337 -3.555 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.116 12.693 -4.886 1.00 0.00 H new ATOM 1197 N GLN A 90 2.838 12.876 -3.785 1.00 0.00 N ATOM 1198 CA GLN A 90 1.559 13.259 -3.275 1.00 0.00 C ATOM 1199 C GLN A 90 0.578 12.153 -3.464 1.00 0.00 C ATOM 1200 O GLN A 90 0.079 11.603 -2.483 1.00 0.00 O ATOM 1201 CB GLN A 90 1.029 14.586 -3.844 1.00 0.00 C ATOM 1202 CG GLN A 90 -0.294 14.999 -3.195 1.00 0.00 C ATOM 1203 CD GLN A 90 -0.587 16.482 -3.373 1.00 0.00 C ATOM 1204 OE1 GLN A 90 -0.708 17.007 -4.479 1.00 0.00 O ATOM 1205 NE2 GLN A 90 -0.706 17.204 -2.227 1.00 0.00 N ATOM 0 H GLN A 90 2.789 12.386 -4.678 1.00 0.00 H new ATOM 0 HA GLN A 90 1.694 13.443 -2.209 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.770 15.370 -3.687 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.890 14.489 -4.921 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.106 14.416 -3.629 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.264 14.762 -2.132 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.601 16.745 -1.322 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.900 18.204 -2.272 1.00 0.00 H new ATOM 1214 N VAL A 91 0.275 11.750 -4.711 1.00 0.00 N ATOM 1215 CA VAL A 91 -0.532 10.592 -4.941 1.00 0.00 C ATOM 1216 C VAL A 91 0.249 9.348 -4.693 1.00 0.00 C ATOM 1217 O VAL A 91 1.326 9.114 -5.239 1.00 0.00 O ATOM 1218 CB VAL A 91 -1.201 10.502 -6.281 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.897 9.145 -6.482 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -2.236 11.638 -6.337 1.00 0.00 C ATOM 0 H VAL A 91 0.588 12.225 -5.558 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.346 10.700 -4.224 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.459 10.593 -7.074 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.369 9.120 -7.464 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.160 8.345 -6.413 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.655 9.007 -5.711 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.751 11.614 -7.297 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.961 11.510 -5.533 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.731 12.597 -6.220 1.00 0.00 H new ATOM 1230 N VAL A 92 -0.317 8.497 -3.817 1.00 0.00 N ATOM 1231 CA VAL A 92 0.182 7.194 -3.502 1.00 0.00 C ATOM 1232 C VAL A 92 -0.823 6.204 -3.982 1.00 0.00 C ATOM 1233 O VAL A 92 -1.878 6.013 -3.379 1.00 0.00 O ATOM 1234 CB VAL A 92 0.425 7.073 -2.027 1.00 0.00 C ATOM 1235 CG1 VAL A 92 0.959 5.668 -1.698 1.00 0.00 C ATOM 1236 CG2 VAL A 92 1.465 8.132 -1.626 1.00 0.00 C ATOM 0 H VAL A 92 -1.166 8.731 -3.303 1.00 0.00 H new ATOM 0 HA VAL A 92 1.138 7.010 -3.992 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.504 7.228 -1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.133 5.587 -0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.228 4.920 -2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.895 5.500 -2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.659 8.064 -0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.391 7.959 -2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.083 9.125 -1.863 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.539 5.534 -5.113 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.332 4.454 -5.614 1.00 0.00 C ATOM 1248 C HIS A 93 -0.926 3.202 -4.916 1.00 0.00 C ATOM 1249 O HIS A 93 0.134 2.650 -5.206 1.00 0.00 O ATOM 1250 CB HIS A 93 -1.191 4.208 -7.126 1.00 0.00 C ATOM 1251 CG HIS A 93 -1.304 5.435 -7.981 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -0.201 6.257 -8.098 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -2.318 5.888 -8.766 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -0.563 7.204 -8.944 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -1.834 7.021 -9.389 1.00 0.00 N ATOM 0 H HIS A 93 0.268 5.750 -5.698 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.370 4.731 -5.429 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -0.225 3.740 -7.314 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -1.956 3.496 -7.436 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -3.299 5.451 -8.879 1.00 0.00 H new ATOM 0 HE1 HIS A 93 0.073 8.023 -9.245 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -2.335 7.608 -10.056 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.722 2.710 -3.951 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.427 1.502 -3.244 1.00 0.00 C ATOM 1265 C LEU A 94 -1.949 0.306 -3.965 1.00 0.00 C ATOM 1266 O LEU A 94 -3.153 0.150 -4.159 1.00 0.00 O ATOM 1267 CB LEU A 94 -1.954 1.442 -1.800 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.322 2.524 -0.908 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -2.276 2.858 0.251 1.00 0.00 C ATOM 1270 CD2 LEU A 94 0.110 2.185 -0.461 1.00 0.00 C ATOM 0 H LEU A 94 -2.588 3.160 -3.655 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.338 1.498 -3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.037 1.564 -1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.746 0.458 -1.379 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.194 3.429 -1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.827 3.625 0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.221 3.225 -0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.457 1.961 0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.496 2.990 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.103 1.255 0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.747 2.070 -1.338 1.00 0.00 H new ATOM 1282 N LEU A 95 -1.044 -0.605 -4.363 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.405 -1.883 -4.892 1.00 0.00 C ATOM 1284 C LEU A 95 -1.503 -2.840 -3.753 1.00 0.00 C ATOM 1285 O LEU A 95 -0.501 -3.287 -3.198 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.362 -2.351 -5.921 1.00 0.00 C ATOM 1287 CG LEU A 95 -0.960 -2.944 -7.208 1.00 0.00 C ATOM 1288 CD1 LEU A 95 0.147 -3.648 -8.011 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -2.158 -3.879 -6.969 1.00 0.00 C ATOM 0 H LEU A 95 -0.037 -0.450 -4.316 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.364 -1.825 -5.407 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.273 -1.506 -6.186 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.280 -3.099 -5.455 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.364 -2.111 -7.784 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.276 -4.068 -8.923 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.923 -2.928 -8.270 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.580 -4.448 -7.410 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.522 -4.255 -7.925 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.847 -4.716 -6.344 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.955 -3.329 -6.469 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.754 -3.130 -3.354 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.126 -3.977 -2.264 1.00 0.00 C ATOM 1303 C LEU A 96 -3.555 -5.312 -2.766 1.00 0.00 C ATOM 1304 O LEU A 96 -4.192 -5.414 -3.814 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.305 -3.356 -1.496 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.937 -2.138 -0.631 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.788 -0.901 -0.965 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -4.073 -2.500 0.857 1.00 0.00 C ATOM 0 H LEU A 96 -3.567 -2.741 -3.832 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.261 -4.086 -1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.071 -3.058 -2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.747 -4.120 -0.856 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.902 -1.876 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.488 -0.070 -0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.639 -0.628 -2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.841 -1.127 -0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.812 -1.635 1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.101 -2.795 1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.403 -3.327 1.093 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.245 -6.383 -2.015 1.00 0.00 N ATOM 1321 CA GLU A 97 -3.846 -7.675 -2.136 1.00 0.00 C ATOM 1322 C GLU A 97 -4.658 -7.868 -0.902 1.00 0.00 C ATOM 1323 O GLU A 97 -4.214 -7.645 0.224 1.00 0.00 O ATOM 1324 CB GLU A 97 -2.852 -8.845 -2.235 1.00 0.00 C ATOM 1325 CG GLU A 97 -3.465 -10.248 -2.235 1.00 0.00 C ATOM 1326 CD GLU A 97 -2.497 -11.364 -1.870 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -1.532 -11.628 -2.636 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -2.712 -12.042 -0.830 1.00 0.00 O ATOM 0 H GLU A 97 -2.536 -6.345 -1.283 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.417 -7.690 -3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.269 -8.725 -3.148 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.154 -8.775 -1.400 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.299 -10.265 -1.534 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.876 -10.450 -3.224 1.00 0.00 H new ATOM 1335 N LYS A 98 -5.913 -8.309 -1.095 1.00 0.00 N ATOM 1336 CA LYS A 98 -6.843 -8.560 -0.038 1.00 0.00 C ATOM 1337 C LYS A 98 -6.525 -9.811 0.709 1.00 0.00 C ATOM 1338 O LYS A 98 -6.456 -10.902 0.145 1.00 0.00 O ATOM 1339 CB LYS A 98 -8.273 -8.612 -0.599 1.00 0.00 C ATOM 1340 CG LYS A 98 -9.378 -8.617 0.459 1.00 0.00 C ATOM 1341 CD LYS A 98 -9.436 -7.311 1.255 1.00 0.00 C ATOM 1342 CE LYS A 98 -9.870 -7.529 2.706 1.00 0.00 C ATOM 1343 NZ LYS A 98 -9.574 -6.335 3.530 1.00 0.00 N ATOM 0 H LYS A 98 -6.295 -8.498 -2.022 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.764 -7.738 0.673 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.422 -7.755 -1.255 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.374 -9.506 -1.214 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.340 -8.786 -0.026 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.216 -9.449 1.144 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.455 -6.836 1.240 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.130 -6.624 0.771 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.938 -7.745 2.742 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.355 -8.397 3.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.093 -6.396 4.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.553 -6.290 3.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.868 -5.479 3.018 1.00 0.00 H new ATOM 1434 N LEU B 206 9.250 -2.428 14.474 1.00 0.00 N ATOM 1435 CA LEU B 206 8.034 -2.658 13.757 1.00 0.00 C ATOM 1436 C LEU B 206 7.126 -1.484 13.901 1.00 0.00 C ATOM 1437 O LEU B 206 7.333 -0.640 14.771 1.00 0.00 O ATOM 1438 CB LEU B 206 7.326 -3.898 14.327 1.00 0.00 C ATOM 1439 CG LEU B 206 6.345 -4.635 13.399 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.116 -5.357 12.283 1.00 0.00 C ATOM 1441 CD2 LEU B 206 5.560 -5.650 14.248 1.00 0.00 C ATOM 0 HA LEU B 206 8.272 -2.812 12.705 1.00 0.00 H new ATOM 0 HB2 LEU B 206 8.090 -4.608 14.643 1.00 0.00 H new ATOM 0 HB3 LEU B 206 6.782 -3.595 15.222 1.00 0.00 H new ATOM 0 HG LEU B 206 5.660 -3.927 12.932 1.00 0.00 H new ATOM 0 HD11 LEU B 206 6.413 -5.876 11.632 1.00 0.00 H new ATOM 0 HD12 LEU B 206 7.680 -4.629 11.701 1.00 0.00 H new ATOM 0 HD13 LEU B 206 7.803 -6.080 12.724 1.00 0.00 H new ATOM 0 HD21 LEU B 206 4.856 -6.188 13.613 1.00 0.00 H new ATOM 0 HD22 LEU B 206 6.253 -6.358 14.702 1.00 0.00 H new ATOM 0 HD23 LEU B 206 5.014 -5.124 15.031 1.00 0.00 H new ATOM 1453 N VAL B 207 6.075 -1.418 13.063 1.00 0.00 N ATOM 1454 CA VAL B 207 4.959 -0.526 13.132 1.00 0.00 C ATOM 1455 C VAL B 207 5.235 0.937 13.190 1.00 0.00 C ATOM 1456 O VAL B 207 5.546 1.550 14.211 1.00 0.00 O ATOM 1457 CB VAL B 207 3.788 -0.964 13.961 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.178 -2.220 13.315 1.00 0.00 C ATOM 1459 CG2 VAL B 207 4.146 -1.205 15.437 1.00 0.00 C ATOM 0 H VAL B 207 6.002 -2.048 12.264 1.00 0.00 H new ATOM 0 HA VAL B 207 4.610 -0.651 12.107 1.00 0.00 H new ATOM 0 HB VAL B 207 3.056 -0.156 13.976 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.324 -2.554 13.904 1.00 0.00 H new ATOM 0 HG12 VAL B 207 2.851 -1.986 12.302 1.00 0.00 H new ATOM 0 HG13 VAL B 207 3.927 -3.011 13.280 1.00 0.00 H new ATOM 0 HG21 VAL B 207 3.255 -1.519 15.981 1.00 0.00 H new ATOM 0 HG22 VAL B 207 4.906 -1.983 15.505 1.00 0.00 H new ATOM 0 HG23 VAL B 207 4.531 -0.283 15.873 1.00 0.00 H new ATOM 1469 N THR B 208 5.114 1.545 11.997 1.00 0.00 N ATOM 1470 CA THR B 208 5.417 2.915 11.724 1.00 0.00 C ATOM 1471 C THR B 208 4.245 3.388 10.934 1.00 0.00 C ATOM 1472 O THR B 208 3.931 2.756 9.926 1.00 0.00 O ATOM 1473 CB THR B 208 6.631 3.068 10.856 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.737 2.364 11.399 1.00 0.00 O ATOM 1475 CG2 THR B 208 7.049 4.542 10.713 1.00 0.00 C ATOM 0 H THR B 208 4.783 1.047 11.171 1.00 0.00 H new ATOM 0 HA THR B 208 5.608 3.459 12.649 1.00 0.00 H new ATOM 0 HB THR B 208 6.359 2.664 9.881 1.00 0.00 H new ATOM 0 HG1 THR B 208 8.568 2.718 11.020 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.932 4.610 10.077 1.00 0.00 H new ATOM 0 HG22 THR B 208 6.234 5.109 10.264 1.00 0.00 H new ATOM 0 HG23 THR B 208 7.278 4.952 11.697 1.00 0.00 H new ATOM 1483 N SER B 209 3.561 4.462 11.364 1.00 0.00 N ATOM 1484 CA SER B 209 2.528 5.115 10.621 1.00 0.00 C ATOM 1485 C SER B 209 3.097 5.826 9.443 1.00 0.00 C ATOM 1486 O SER B 209 4.059 6.583 9.568 1.00 0.00 O ATOM 1487 CB SER B 209 1.738 6.174 11.408 1.00 0.00 C ATOM 1488 OG SER B 209 1.239 5.652 12.631 1.00 0.00 O ATOM 0 H SER B 209 3.736 4.895 12.271 1.00 0.00 H new ATOM 0 HA SER B 209 1.853 4.304 10.347 1.00 0.00 H new ATOM 0 HB2 SER B 209 2.380 7.030 11.612 1.00 0.00 H new ATOM 0 HB3 SER B 209 0.908 6.536 10.801 1.00 0.00 H new ATOM 0 HG SER B 209 0.744 6.351 13.107 1.00 0.00 H new ATOM 1494 N VAL B 210 2.546 5.596 8.237 1.00 0.00 N ATOM 1495 CA VAL B 210 3.131 6.071 7.022 1.00 0.00 C ATOM 1496 C VAL B 210 1.979 6.188 6.034 1.00 0.00 C ATOM 1497 O VAL B 210 0.888 5.597 6.249 1.00 0.00 O ATOM 1498 CB VAL B 210 4.249 5.186 6.558 1.00 0.00 C ATOM 1499 CG1 VAL B 210 3.757 3.770 6.213 1.00 0.00 C ATOM 1500 CG2 VAL B 210 4.990 5.829 5.373 1.00 0.00 C ATOM 1501 OXT VAL B 210 2.142 6.976 5.064 1.00 0.00 O ATOM 0 H VAL B 210 1.681 5.072 8.104 1.00 0.00 H new ATOM 0 HA VAL B 210 3.613 7.041 7.147 1.00 0.00 H new ATOM 0 HB VAL B 210 4.953 5.080 7.384 1.00 0.00 H new ATOM 0 HG11 VAL B 210 4.599 3.163 5.882 1.00 0.00 H new ATOM 0 HG12 VAL B 210 3.308 3.316 7.096 1.00 0.00 H new ATOM 0 HG13 VAL B 210 3.015 3.827 5.417 1.00 0.00 H new ATOM 0 HG21 VAL B 210 5.798 5.173 5.050 1.00 0.00 H new ATOM 0 HG22 VAL B 210 4.294 5.981 4.548 1.00 0.00 H new ATOM 0 HG23 VAL B 210 5.404 6.789 5.681 1.00 0.00 H new