USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 578 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 14 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Set 1.2: A 70 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 64 GLN : amide:sc= 0.61 K(o=0.69,f=-4.7) USER MOD Set 2.2: A 68 LYS NZ :NH3+ -153:sc= 0.0825 (180deg=-0.3) USER MOD Set 3.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -16:sc= 0.61 USER MOD Single : A 8 LYS NZ :NH3+ -140:sc= 0.632 (180deg=0.189) USER MOD Single : A 9 THR OG1 : rot 42:sc= 0.371 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 169:sc= -0.462 (180deg=-0.864) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 165:sc= 1.04 (180deg=0.883) USER MOD Single : A 17 LYS NZ :NH3+ 153:sc=-0.00828 (180deg=-0.854) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 26 SER OG : rot -108:sc= 0.511 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -146:sc= -1.37 (180deg=-2.63!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -168:sc=-0.00542 (180deg=-0.137) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -167:sc= -0.0325 (180deg=-0.207) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.544 K(o=-0.54,f=-4!) USER MOD Single : A 69 TYR OH : rot 165:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 14 N ASP A 2 1.459 13.182 8.078 1.00 0.00 N ATOM 15 CA ASP A 2 2.326 12.589 7.060 1.00 0.00 C ATOM 16 C ASP A 2 1.938 11.133 6.809 1.00 0.00 C ATOM 17 O ASP A 2 1.113 10.570 7.533 1.00 0.00 O ATOM 18 CB ASP A 2 3.796 12.660 7.494 1.00 0.00 C ATOM 19 CG ASP A 2 4.386 14.049 7.338 1.00 0.00 C ATOM 20 OD1 ASP A 2 4.693 14.437 6.191 1.00 0.00 O ATOM 21 OD2 ASP A 2 4.542 14.747 8.362 1.00 0.00 O ATOM 0 HA ASP A 2 2.200 13.157 6.138 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.878 12.350 8.536 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.379 11.953 6.904 1.00 0.00 H new ATOM 26 N VAL A 3 2.534 10.527 5.783 1.00 0.00 N ATOM 27 CA VAL A 3 2.254 9.133 5.452 1.00 0.00 C ATOM 28 C VAL A 3 2.774 8.197 6.545 1.00 0.00 C ATOM 29 O VAL A 3 2.169 7.161 6.820 1.00 0.00 O ATOM 30 CB VAL A 3 2.871 8.733 4.092 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.390 8.647 4.177 1.00 0.00 C ATOM 32 CG2 VAL A 3 2.280 7.419 3.602 1.00 0.00 C ATOM 0 H VAL A 3 3.212 10.979 5.169 1.00 0.00 H new ATOM 0 HA VAL A 3 1.171 9.035 5.381 1.00 0.00 H new ATOM 0 HB VAL A 3 2.624 9.511 3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.793 8.364 3.205 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.794 9.617 4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.671 7.899 4.918 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.727 7.154 2.644 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.487 6.633 4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.202 7.527 3.482 1.00 0.00 H new ATOM 42 N TRP A 4 3.898 8.570 7.167 1.00 0.00 N ATOM 43 CA TRP A 4 4.489 7.766 8.234 1.00 0.00 C ATOM 44 C TRP A 4 3.787 8.041 9.564 1.00 0.00 C ATOM 45 O TRP A 4 3.505 7.111 10.323 1.00 0.00 O ATOM 46 CB TRP A 4 5.990 8.060 8.352 1.00 0.00 C ATOM 47 CG TRP A 4 6.712 7.160 9.310 1.00 0.00 C ATOM 48 CD1 TRP A 4 6.595 7.146 10.671 1.00 0.00 C ATOM 49 CD2 TRP A 4 7.672 6.149 8.979 1.00 0.00 C ATOM 50 NE1 TRP A 4 7.417 6.186 11.206 1.00 0.00 N ATOM 51 CE2 TRP A 4 8.089 5.560 10.188 1.00 0.00 C ATOM 52 CE3 TRP A 4 8.218 5.683 7.779 1.00 0.00 C ATOM 53 CZ2 TRP A 4 9.025 4.531 10.231 1.00 0.00 C ATOM 54 CZ3 TRP A 4 9.148 4.661 7.823 1.00 0.00 C ATOM 55 CH2 TRP A 4 9.543 4.094 9.042 1.00 0.00 C ATOM 0 H TRP A 4 4.413 9.423 6.948 1.00 0.00 H new ATOM 0 HA TRP A 4 4.358 6.713 7.987 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.447 7.967 7.367 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.124 9.094 8.669 1.00 0.00 H new ATOM 0 HD1 TRP A 4 5.949 7.796 11.243 1.00 0.00 H new ATOM 0 HE1 TRP A 4 7.512 5.973 12.199 1.00 0.00 H new ATOM 0 HE3 TRP A 4 7.919 6.114 6.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 9.332 4.093 11.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 9.577 4.294 6.903 1.00 0.00 H new ATOM 0 HH2 TRP A 4 10.271 3.296 9.043 1.00 0.00 H new ATOM 66 N SER A 5 3.504 9.319 9.840 1.00 0.00 N ATOM 67 CA SER A 5 2.810 9.703 11.070 1.00 0.00 C ATOM 68 C SER A 5 1.442 9.026 11.123 1.00 0.00 C ATOM 69 O SER A 5 1.092 8.391 12.118 1.00 0.00 O ATOM 70 CB SER A 5 2.652 11.226 11.142 1.00 0.00 C ATOM 71 OG SER A 5 1.977 11.617 12.325 1.00 0.00 O ATOM 0 H SER A 5 3.744 10.100 9.230 1.00 0.00 H new ATOM 0 HA SER A 5 3.402 9.378 11.926 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.634 11.698 11.108 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.099 11.578 10.271 1.00 0.00 H new ATOM 0 HG SER A 5 1.892 12.593 12.345 1.00 0.00 H new ATOM 77 N LEU A 6 0.676 9.171 10.042 1.00 0.00 N ATOM 78 CA LEU A 6 -0.651 8.571 9.950 1.00 0.00 C ATOM 79 C LEU A 6 -0.591 7.287 9.129 1.00 0.00 C ATOM 80 O LEU A 6 -0.646 7.320 7.898 1.00 0.00 O ATOM 81 CB LEU A 6 -1.641 9.560 9.325 1.00 0.00 C ATOM 82 CG LEU A 6 -1.772 10.901 10.055 1.00 0.00 C ATOM 83 CD1 LEU A 6 -2.772 11.801 9.346 1.00 0.00 C ATOM 84 CD2 LEU A 6 -2.180 10.685 11.506 1.00 0.00 C ATOM 0 H LEU A 6 0.955 9.701 9.216 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.996 8.327 10.955 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.337 9.753 8.296 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.623 9.089 9.284 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.800 11.393 10.043 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.851 12.748 9.879 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.436 11.986 8.326 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.747 11.315 9.324 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.268 11.649 12.007 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.140 10.169 11.541 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.425 10.082 12.010 1.00 0.00 H new ATOM 96 N SER A 7 -0.465 6.156 9.822 1.00 0.00 N ATOM 97 CA SER A 7 -0.378 4.853 9.163 1.00 0.00 C ATOM 98 C SER A 7 -1.379 3.836 9.728 1.00 0.00 C ATOM 99 O SER A 7 -1.278 2.641 9.446 1.00 0.00 O ATOM 100 CB SER A 7 1.046 4.305 9.280 1.00 0.00 C ATOM 101 OG SER A 7 1.975 5.140 8.611 1.00 0.00 O ATOM 0 H SER A 7 -0.421 6.116 10.840 1.00 0.00 H new ATOM 0 HA SER A 7 -0.634 5.005 8.115 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.321 4.221 10.332 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.087 3.301 8.859 1.00 0.00 H new ATOM 0 HG SER A 7 1.496 5.744 8.007 1.00 0.00 H new ATOM 107 N LYS A 8 -2.349 4.311 10.518 1.00 0.00 N ATOM 108 CA LYS A 8 -3.358 3.431 11.107 1.00 0.00 C ATOM 109 C LYS A 8 -4.682 3.467 10.330 1.00 0.00 C ATOM 110 O LYS A 8 -5.703 2.978 10.819 1.00 0.00 O ATOM 111 CB LYS A 8 -3.603 3.823 12.568 1.00 0.00 C ATOM 112 CG LYS A 8 -2.381 3.662 13.458 1.00 0.00 C ATOM 113 CD LYS A 8 -1.972 2.203 13.589 1.00 0.00 C ATOM 114 CE LYS A 8 -0.705 2.055 14.418 1.00 0.00 C ATOM 115 NZ LYS A 8 -0.393 0.628 14.712 1.00 0.00 N ATOM 0 H LYS A 8 -2.454 5.296 10.762 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.974 2.412 11.055 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.935 4.861 12.606 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.415 3.214 12.967 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.552 4.237 13.046 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.593 4.071 14.446 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.780 1.637 14.052 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.812 1.778 12.598 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.132 2.506 13.885 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.819 2.601 15.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.051 0.542 15.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.252 0.053 14.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.342 0.291 14.058 1.00 0.00 H new ATOM 129 N THR A 9 -4.666 4.033 9.116 1.00 0.00 N ATOM 130 CA THR A 9 -5.873 4.116 8.294 1.00 0.00 C ATOM 131 C THR A 9 -5.889 3.023 7.227 1.00 0.00 C ATOM 132 O THR A 9 -5.226 3.136 6.193 1.00 0.00 O ATOM 133 CB THR A 9 -6.005 5.497 7.615 1.00 0.00 C ATOM 134 OG1 THR A 9 -4.794 5.829 6.924 1.00 0.00 O ATOM 135 CG2 THR A 9 -6.323 6.575 8.641 1.00 0.00 C ATOM 0 H THR A 9 -3.834 4.437 8.686 1.00 0.00 H new ATOM 0 HA THR A 9 -6.721 3.974 8.964 1.00 0.00 H new ATOM 0 HB THR A 9 -6.824 5.445 6.898 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.455 5.036 6.458 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.411 7.539 8.140 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.263 6.337 9.139 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.523 6.622 9.380 1.00 0.00 H new ATOM 143 N SER A 10 -6.653 1.961 7.487 1.00 0.00 N ATOM 144 CA SER A 10 -6.757 0.838 6.558 1.00 0.00 C ATOM 145 C SER A 10 -7.691 1.158 5.392 1.00 0.00 C ATOM 146 O SER A 10 -8.486 2.098 5.455 1.00 0.00 O ATOM 147 CB SER A 10 -7.247 -0.420 7.286 1.00 0.00 C ATOM 148 OG SER A 10 -8.501 -0.199 7.908 1.00 0.00 O ATOM 0 H SER A 10 -7.209 1.856 8.335 1.00 0.00 H new ATOM 0 HA SER A 10 -5.761 0.655 6.156 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.330 -1.244 6.577 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.514 -0.718 8.036 1.00 0.00 H new ATOM 0 HG SER A 10 -8.789 -1.018 8.363 1.00 0.00 H new ATOM 154 N MET A 11 -7.584 0.362 4.330 1.00 0.00 N ATOM 155 CA MET A 11 -8.410 0.537 3.139 1.00 0.00 C ATOM 156 C MET A 11 -9.024 -0.796 2.721 1.00 0.00 C ATOM 157 O MET A 11 -8.360 -1.834 2.770 1.00 0.00 O ATOM 158 CB MET A 11 -7.572 1.111 1.994 1.00 0.00 C ATOM 159 CG MET A 11 -8.379 1.440 0.747 1.00 0.00 C ATOM 160 SD MET A 11 -9.456 2.870 0.970 1.00 0.00 S ATOM 161 CE MET A 11 -8.251 4.170 1.232 1.00 0.00 C ATOM 0 H MET A 11 -6.927 -0.416 4.271 1.00 0.00 H new ATOM 0 HA MET A 11 -9.213 1.236 3.372 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.071 2.015 2.340 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.792 0.395 1.733 1.00 0.00 H new ATOM 0 HG2 MET A 11 -7.697 1.630 -0.082 1.00 0.00 H new ATOM 0 HG3 MET A 11 -8.983 0.575 0.472 1.00 0.00 H new ATOM 0 HE1 MET A 11 -8.747 5.140 1.190 1.00 0.00 H new ATOM 0 HE2 MET A 11 -7.785 4.042 2.209 1.00 0.00 H new ATOM 0 HE3 MET A 11 -7.487 4.120 0.456 1.00 0.00 H new ATOM 171 N THR A 12 -10.288 -0.762 2.305 1.00 0.00 N ATOM 172 CA THR A 12 -10.983 -1.976 1.892 1.00 0.00 C ATOM 173 C THR A 12 -10.773 -2.272 0.408 1.00 0.00 C ATOM 174 O THR A 12 -11.036 -1.428 -0.452 1.00 0.00 O ATOM 175 CB THR A 12 -12.497 -1.892 2.181 1.00 0.00 C ATOM 176 OG1 THR A 12 -12.716 -1.579 3.562 1.00 0.00 O ATOM 177 CG2 THR A 12 -13.191 -3.206 1.841 1.00 0.00 C ATOM 0 H THR A 12 -10.848 0.088 2.246 1.00 0.00 H new ATOM 0 HA THR A 12 -10.553 -2.788 2.479 1.00 0.00 H new ATOM 0 HB THR A 12 -12.918 -1.104 1.556 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.679 -1.526 3.737 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.257 -3.120 2.054 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.049 -3.430 0.784 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.764 -4.009 2.442 1.00 0.00 H new ATOM 185 N PHE A 13 -10.297 -3.482 0.126 1.00 0.00 N ATOM 186 CA PHE A 13 -10.060 -3.932 -1.241 1.00 0.00 C ATOM 187 C PHE A 13 -11.281 -4.690 -1.751 1.00 0.00 C ATOM 188 O PHE A 13 -11.876 -5.486 -1.022 1.00 0.00 O ATOM 189 CB PHE A 13 -8.817 -4.828 -1.294 1.00 0.00 C ATOM 190 CG PHE A 13 -7.534 -4.102 -0.997 1.00 0.00 C ATOM 191 CD1 PHE A 13 -7.126 -3.896 0.312 1.00 0.00 C ATOM 192 CD2 PHE A 13 -6.735 -3.629 -2.026 1.00 0.00 C ATOM 193 CE1 PHE A 13 -5.947 -3.233 0.588 1.00 0.00 C ATOM 194 CE2 PHE A 13 -5.555 -2.964 -1.755 1.00 0.00 C ATOM 195 CZ PHE A 13 -5.159 -2.766 -0.447 1.00 0.00 C ATOM 0 H PHE A 13 -10.066 -4.176 0.837 1.00 0.00 H new ATOM 0 HA PHE A 13 -9.889 -3.065 -1.879 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.937 -5.643 -0.580 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -8.748 -5.280 -2.284 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.738 -4.258 1.125 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -7.038 -3.782 -3.051 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.641 -3.079 1.612 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.942 -2.599 -2.566 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.236 -2.248 -0.233 1.00 0.00 H new ATOM 205 N GLN A 14 -11.650 -4.439 -3.005 1.00 0.00 N ATOM 206 CA GLN A 14 -12.807 -5.091 -3.611 1.00 0.00 C ATOM 207 C GLN A 14 -12.379 -5.938 -4.805 1.00 0.00 C ATOM 208 O GLN A 14 -11.920 -5.407 -5.819 1.00 0.00 O ATOM 209 CB GLN A 14 -13.839 -4.050 -4.048 1.00 0.00 C ATOM 210 CG GLN A 14 -14.368 -3.199 -2.903 1.00 0.00 C ATOM 211 CD GLN A 14 -15.452 -2.230 -3.337 1.00 0.00 C ATOM 212 OE1 GLN A 14 -15.464 -1.759 -4.475 1.00 0.00 O ATOM 213 NE2 GLN A 14 -16.373 -1.924 -2.428 1.00 0.00 N ATOM 0 H GLN A 14 -11.164 -3.788 -3.621 1.00 0.00 H new ATOM 0 HA GLN A 14 -13.262 -5.743 -2.866 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -13.390 -3.398 -4.797 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -14.675 -4.559 -4.528 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.762 -3.852 -2.124 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.543 -2.639 -2.462 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.327 -2.336 -1.496 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -17.126 -1.277 -2.663 1.00 0.00 H new ATOM 222 N PRO A 15 -12.523 -7.272 -4.696 1.00 0.00 N ATOM 223 CA PRO A 15 -12.138 -8.201 -5.765 1.00 0.00 C ATOM 224 C PRO A 15 -12.969 -8.008 -7.031 1.00 0.00 C ATOM 225 O PRO A 15 -14.160 -7.694 -6.960 1.00 0.00 O ATOM 226 CB PRO A 15 -12.400 -9.586 -5.163 1.00 0.00 C ATOM 227 CG PRO A 15 -12.537 -9.369 -3.695 1.00 0.00 C ATOM 228 CD PRO A 15 -13.065 -7.976 -3.525 1.00 0.00 C ATOM 0 HA PRO A 15 -11.104 -8.048 -6.074 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -13.305 -10.029 -5.579 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.580 -10.270 -5.383 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -13.217 -10.099 -3.255 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -11.576 -9.485 -3.193 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -14.155 -7.956 -3.511 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -12.726 -7.527 -2.591 1.00 0.00 H new ATOM 236 N LYS A 16 -12.335 -8.198 -8.187 1.00 0.00 N ATOM 237 CA LYS A 16 -13.022 -8.056 -9.469 1.00 0.00 C ATOM 238 C LYS A 16 -13.904 -9.275 -9.742 1.00 0.00 C ATOM 239 O LYS A 16 -15.022 -9.143 -10.244 1.00 0.00 O ATOM 240 CB LYS A 16 -12.009 -7.875 -10.607 1.00 0.00 C ATOM 241 CG LYS A 16 -11.092 -6.674 -10.429 1.00 0.00 C ATOM 242 CD LYS A 16 -11.875 -5.396 -10.169 1.00 0.00 C ATOM 243 CE LYS A 16 -10.957 -4.246 -9.783 1.00 0.00 C ATOM 244 NZ LYS A 16 -10.115 -3.787 -10.924 1.00 0.00 N ATOM 0 H LYS A 16 -11.349 -8.450 -8.262 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.654 -7.169 -9.420 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.401 -8.776 -10.686 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.549 -7.772 -11.548 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.411 -6.858 -9.598 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.480 -6.549 -11.322 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.441 -5.127 -11.061 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.599 -5.568 -9.372 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.557 -3.412 -9.418 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.313 -4.559 -8.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.701 -2.860 -10.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.353 -4.475 -11.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.703 -3.705 -11.778 1.00 0.00 H new ATOM 258 N LYS A 17 -13.388 -10.461 -9.404 1.00 0.00 N ATOM 259 CA LYS A 17 -14.115 -11.712 -9.603 1.00 0.00 C ATOM 260 C LYS A 17 -14.562 -12.307 -8.268 1.00 0.00 C ATOM 261 O LYS A 17 -14.162 -11.837 -7.200 1.00 0.00 O ATOM 262 CB LYS A 17 -13.236 -12.720 -10.349 1.00 0.00 C ATOM 263 CG LYS A 17 -12.860 -12.284 -11.759 1.00 0.00 C ATOM 264 CD LYS A 17 -11.379 -12.499 -12.036 1.00 0.00 C ATOM 265 CE LYS A 17 -10.521 -11.468 -11.316 1.00 0.00 C ATOM 266 NZ LYS A 17 -9.069 -11.677 -11.571 1.00 0.00 N ATOM 0 H LYS A 17 -12.464 -10.577 -8.989 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.002 -11.495 -10.198 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.324 -12.887 -9.775 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.759 -13.675 -10.402 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.451 -12.844 -12.483 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.107 -11.231 -11.893 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.090 -13.501 -11.718 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.196 -12.440 -13.109 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.806 -10.468 -11.641 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.713 -11.521 -10.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.567 -10.771 -11.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.689 -12.355 -10.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.936 -12.051 -12.532 1.00 0.00 H new ATOM 280 N ALA A 18 -15.391 -13.348 -8.340 1.00 0.00 N ATOM 281 CA ALA A 18 -15.896 -14.020 -7.144 1.00 0.00 C ATOM 282 C ALA A 18 -14.797 -14.827 -6.451 1.00 0.00 C ATOM 283 O ALA A 18 -14.748 -14.890 -5.221 1.00 0.00 O ATOM 284 CB ALA A 18 -17.069 -14.922 -7.501 1.00 0.00 C ATOM 0 H ALA A 18 -15.728 -13.745 -9.217 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.237 -13.253 -6.448 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.435 -15.416 -6.601 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -17.869 -14.323 -7.937 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -16.744 -15.673 -8.221 1.00 0.00 H new ATOM 290 N SER A 19 -13.919 -15.443 -7.249 1.00 0.00 N ATOM 291 CA SER A 19 -12.814 -16.245 -6.719 1.00 0.00 C ATOM 292 C SER A 19 -11.968 -15.443 -5.728 1.00 0.00 C ATOM 293 O SER A 19 -11.587 -15.954 -4.672 1.00 0.00 O ATOM 294 CB SER A 19 -11.931 -16.755 -7.862 1.00 0.00 C ATOM 295 OG SER A 19 -12.674 -17.560 -8.762 1.00 0.00 O ATOM 0 H SER A 19 -13.953 -15.401 -8.268 1.00 0.00 H new ATOM 0 HA SER A 19 -13.245 -17.095 -6.190 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.500 -15.909 -8.397 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.101 -17.332 -7.454 1.00 0.00 H new ATOM 0 HG SER A 19 -12.088 -17.871 -9.483 1.00 0.00 H new ATOM 301 N LEU A 20 -11.677 -14.188 -6.076 1.00 0.00 N ATOM 302 CA LEU A 20 -10.880 -13.314 -5.220 1.00 0.00 C ATOM 303 C LEU A 20 -11.684 -12.856 -4.001 1.00 0.00 C ATOM 304 O LEU A 20 -12.899 -12.658 -4.084 1.00 0.00 O ATOM 305 CB LEU A 20 -10.398 -12.098 -6.015 1.00 0.00 C ATOM 306 CG LEU A 20 -9.500 -12.406 -7.215 1.00 0.00 C ATOM 307 CD1 LEU A 20 -9.324 -11.165 -8.077 1.00 0.00 C ATOM 308 CD2 LEU A 20 -8.146 -12.929 -6.756 1.00 0.00 C ATOM 0 H LEU A 20 -11.983 -13.755 -6.947 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.017 -13.879 -4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.270 -11.548 -6.368 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.857 -11.436 -5.339 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.981 -13.181 -7.812 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.683 -11.400 -8.927 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.297 -10.832 -8.438 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.866 -10.373 -7.485 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.524 -13.141 -7.626 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.657 -12.178 -6.135 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.286 -13.843 -6.178 1.00 0.00 H new ATOM 320 N GLN A 21 -10.993 -12.691 -2.873 1.00 0.00 N ATOM 321 CA GLN A 21 -11.629 -12.260 -1.626 1.00 0.00 C ATOM 322 C GLN A 21 -11.145 -10.870 -1.212 1.00 0.00 C ATOM 323 O GLN A 21 -9.960 -10.560 -1.333 1.00 0.00 O ATOM 324 CB GLN A 21 -11.342 -13.265 -0.508 1.00 0.00 C ATOM 325 CG GLN A 21 -11.903 -14.652 -0.778 1.00 0.00 C ATOM 326 CD GLN A 21 -11.624 -15.623 0.353 1.00 0.00 C ATOM 327 OE1 GLN A 21 -12.418 -15.753 1.285 1.00 0.00 O ATOM 328 NE2 GLN A 21 -10.491 -16.313 0.278 1.00 0.00 N ATOM 0 H GLN A 21 -9.988 -12.850 -2.796 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.704 -12.212 -1.798 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.264 -13.340 -0.366 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.761 -12.888 0.425 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -12.979 -14.581 -0.934 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -11.472 -15.041 -1.701 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.861 -16.175 -0.512 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.251 -16.981 1.011 1.00 0.00 H new ATOM 337 N PRO A 22 -12.062 -10.019 -0.702 1.00 0.00 N ATOM 338 CA PRO A 22 -11.734 -8.648 -0.274 1.00 0.00 C ATOM 339 C PRO A 22 -10.614 -8.595 0.765 1.00 0.00 C ATOM 340 O PRO A 22 -10.290 -9.599 1.402 1.00 0.00 O ATOM 341 CB PRO A 22 -13.046 -8.133 0.328 1.00 0.00 C ATOM 342 CG PRO A 22 -14.107 -8.972 -0.295 1.00 0.00 C ATOM 343 CD PRO A 22 -13.490 -10.327 -0.499 1.00 0.00 C ATOM 0 HA PRO A 22 -11.365 -8.051 -1.108 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -13.049 -8.233 1.413 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.195 -7.077 0.105 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.984 -9.035 0.349 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.437 -8.546 -1.242 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -13.644 -10.974 0.365 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.918 -10.839 -1.361 1.00 0.00 H new ATOM 351 N LEU A 23 -10.033 -7.406 0.930 1.00 0.00 N ATOM 352 CA LEU A 23 -8.945 -7.197 1.885 1.00 0.00 C ATOM 353 C LEU A 23 -9.155 -5.907 2.678 1.00 0.00 C ATOM 354 O LEU A 23 -9.908 -5.029 2.259 1.00 0.00 O ATOM 355 CB LEU A 23 -7.606 -7.148 1.144 1.00 0.00 C ATOM 356 CG LEU A 23 -6.361 -7.202 2.034 1.00 0.00 C ATOM 357 CD1 LEU A 23 -6.287 -8.533 2.765 1.00 0.00 C ATOM 358 CD2 LEU A 23 -5.107 -6.977 1.204 1.00 0.00 C ATOM 0 H LEU A 23 -10.300 -6.569 0.411 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.937 -8.030 2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.567 -7.982 0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.570 -6.233 0.553 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.430 -6.407 2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.396 -8.554 3.393 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.173 -8.656 3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.239 -9.345 2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.230 -7.018 1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.032 -7.752 0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.159 -5.999 0.725 1.00 0.00 H new ATOM 370 N THR A 24 -8.491 -5.802 3.829 1.00 0.00 N ATOM 371 CA THR A 24 -8.601 -4.615 4.674 1.00 0.00 C ATOM 372 C THR A 24 -7.355 -4.438 5.541 1.00 0.00 C ATOM 373 O THR A 24 -7.323 -4.860 6.699 1.00 0.00 O ATOM 374 CB THR A 24 -9.853 -4.670 5.582 1.00 0.00 C ATOM 375 OG1 THR A 24 -11.017 -4.989 4.807 1.00 0.00 O ATOM 376 CG2 THR A 24 -10.067 -3.339 6.291 1.00 0.00 C ATOM 0 H THR A 24 -7.872 -6.524 4.197 1.00 0.00 H new ATOM 0 HA THR A 24 -8.696 -3.761 4.003 1.00 0.00 H new ATOM 0 HB THR A 24 -9.691 -5.446 6.330 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.801 -5.022 5.393 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.953 -3.402 6.923 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.197 -3.111 6.907 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.205 -2.551 5.551 1.00 0.00 H new ATOM 384 N ILE A 25 -6.321 -3.825 4.963 1.00 0.00 N ATOM 385 CA ILE A 25 -5.068 -3.593 5.679 1.00 0.00 C ATOM 386 C ILE A 25 -4.617 -2.134 5.553 1.00 0.00 C ATOM 387 O ILE A 25 -4.998 -1.435 4.611 1.00 0.00 O ATOM 388 CB ILE A 25 -3.951 -4.534 5.170 1.00 0.00 C ATOM 389 CG1 ILE A 25 -2.808 -4.609 6.190 1.00 0.00 C ATOM 390 CG2 ILE A 25 -3.435 -4.083 3.810 1.00 0.00 C ATOM 391 CD1 ILE A 25 -3.208 -5.258 7.497 1.00 0.00 C ATOM 0 H ILE A 25 -6.327 -3.481 4.003 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.254 -3.809 6.731 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.373 -5.532 5.052 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.979 -5.167 5.755 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.443 -3.601 6.390 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.651 -4.762 3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.253 -4.090 3.090 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.032 -3.074 3.890 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.351 -5.277 8.171 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.016 -4.687 7.954 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.545 -6.277 7.309 1.00 0.00 H new ATOM 403 N SER A 26 -3.806 -1.687 6.513 1.00 0.00 N ATOM 404 CA SER A 26 -3.304 -0.315 6.527 1.00 0.00 C ATOM 405 C SER A 26 -1.778 -0.264 6.371 1.00 0.00 C ATOM 406 O SER A 26 -1.108 -1.298 6.317 1.00 0.00 O ATOM 407 CB SER A 26 -3.714 0.365 7.836 1.00 0.00 C ATOM 408 OG SER A 26 -3.348 1.732 7.847 1.00 0.00 O ATOM 0 H SER A 26 -3.483 -2.259 7.293 1.00 0.00 H new ATOM 0 HA SER A 26 -3.741 0.212 5.679 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.792 0.275 7.972 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.243 -0.146 8.676 1.00 0.00 H new ATOM 0 HG SER A 26 -2.602 1.866 8.469 1.00 0.00 H new ATOM 414 N LEU A 27 -1.250 0.960 6.296 1.00 0.00 N ATOM 415 CA LEU A 27 0.189 1.208 6.157 1.00 0.00 C ATOM 416 C LEU A 27 0.999 0.509 7.252 1.00 0.00 C ATOM 417 O LEU A 27 1.767 -0.411 6.974 1.00 0.00 O ATOM 418 CB LEU A 27 0.461 2.717 6.217 1.00 0.00 C ATOM 419 CG LEU A 27 -0.261 3.559 5.161 1.00 0.00 C ATOM 420 CD1 LEU A 27 0.084 5.032 5.330 1.00 0.00 C ATOM 421 CD2 LEU A 27 0.093 3.084 3.759 1.00 0.00 C ATOM 0 H LEU A 27 -1.810 1.812 6.330 1.00 0.00 H new ATOM 0 HA LEU A 27 0.500 0.802 5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.176 3.081 7.204 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.534 2.880 6.115 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.335 3.437 5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.437 5.617 4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.223 5.366 6.321 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.160 5.169 5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.431 3.696 3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.168 3.173 3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.205 2.042 3.642 1.00 0.00 H new ATOM 433 N ASP A 28 0.805 0.946 8.497 1.00 0.00 N ATOM 434 CA ASP A 28 1.530 0.396 9.642 1.00 0.00 C ATOM 435 C ASP A 28 1.249 -1.096 9.826 1.00 0.00 C ATOM 436 O ASP A 28 2.123 -1.849 10.259 1.00 0.00 O ATOM 437 CB ASP A 28 1.148 1.156 10.918 1.00 0.00 C ATOM 438 CG ASP A 28 2.038 0.808 12.095 1.00 0.00 C ATOM 439 OD1 ASP A 28 1.750 -0.195 12.783 1.00 0.00 O ATOM 440 OD2 ASP A 28 3.023 1.538 12.330 1.00 0.00 O ATOM 0 H ASP A 28 0.146 1.686 8.739 1.00 0.00 H new ATOM 0 HA ASP A 28 2.596 0.515 9.447 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.206 2.228 10.729 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.112 0.933 11.173 1.00 0.00 H new ATOM 445 N GLU A 29 0.030 -1.513 9.490 1.00 0.00 N ATOM 446 CA GLU A 29 -0.374 -2.908 9.630 1.00 0.00 C ATOM 447 C GLU A 29 0.163 -3.795 8.502 1.00 0.00 C ATOM 448 O GLU A 29 -0.089 -5.002 8.501 1.00 0.00 O ATOM 449 CB GLU A 29 -1.902 -3.006 9.669 1.00 0.00 C ATOM 450 CG GLU A 29 -2.520 -2.591 10.997 1.00 0.00 C ATOM 451 CD GLU A 29 -2.168 -1.170 11.403 1.00 0.00 C ATOM 452 OE1 GLU A 29 -2.851 -0.232 10.940 1.00 0.00 O ATOM 453 OE2 GLU A 29 -1.212 -0.995 12.187 1.00 0.00 O ATOM 0 H GLU A 29 -0.696 -0.901 9.118 1.00 0.00 H new ATOM 0 HA GLU A 29 0.055 -3.271 10.564 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.315 -2.381 8.878 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.195 -4.033 9.450 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.604 -2.685 10.931 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.187 -3.277 11.776 1.00 0.00 H new ATOM 460 N LEU A 30 0.903 -3.221 7.545 1.00 0.00 N ATOM 461 CA LEU A 30 1.429 -4.014 6.437 1.00 0.00 C ATOM 462 C LEU A 30 2.931 -3.801 6.195 1.00 0.00 C ATOM 463 O LEU A 30 3.445 -4.171 5.138 1.00 0.00 O ATOM 464 CB LEU A 30 0.638 -3.715 5.162 1.00 0.00 C ATOM 465 CG LEU A 30 0.801 -4.734 4.030 1.00 0.00 C ATOM 466 CD1 LEU A 30 0.349 -6.115 4.481 1.00 0.00 C ATOM 467 CD2 LEU A 30 0.020 -4.291 2.804 1.00 0.00 C ATOM 0 H LEU A 30 1.145 -2.231 7.518 1.00 0.00 H new ATOM 0 HA LEU A 30 1.309 -5.061 6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.419 -3.649 5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.938 -2.735 4.791 1.00 0.00 H new ATOM 0 HG LEU A 30 1.857 -4.791 3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.473 -6.824 3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.950 -6.435 5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.701 -6.077 4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.145 -5.025 2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.037 -4.207 3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.391 -3.323 2.467 1.00 0.00 H new ATOM 479 N PHE A 31 3.638 -3.218 7.171 1.00 0.00 N ATOM 480 CA PHE A 31 5.083 -3.014 7.019 1.00 0.00 C ATOM 481 C PHE A 31 5.827 -3.319 8.318 1.00 0.00 C ATOM 482 O PHE A 31 5.347 -3.003 9.409 1.00 0.00 O ATOM 483 CB PHE A 31 5.410 -1.594 6.536 1.00 0.00 C ATOM 484 CG PHE A 31 4.779 -1.235 5.218 1.00 0.00 C ATOM 485 CD1 PHE A 31 5.078 -1.952 4.071 1.00 0.00 C ATOM 486 CD2 PHE A 31 3.883 -0.183 5.130 1.00 0.00 C ATOM 487 CE1 PHE A 31 4.493 -1.626 2.863 1.00 0.00 C ATOM 488 CE2 PHE A 31 3.296 0.147 3.924 1.00 0.00 C ATOM 489 CZ PHE A 31 3.602 -0.576 2.790 1.00 0.00 C ATOM 0 H PHE A 31 3.246 -2.887 8.052 1.00 0.00 H new ATOM 0 HA PHE A 31 5.423 -3.714 6.256 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.081 -0.880 7.291 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.492 -1.491 6.449 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.776 -2.775 4.122 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.640 0.386 6.015 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.733 -2.193 1.976 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.599 0.970 3.869 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.144 -0.320 1.846 1.00 0.00 H new ATOM 499 N SER A 32 7.001 -3.937 8.189 1.00 0.00 N ATOM 500 CA SER A 32 7.817 -4.298 9.348 1.00 0.00 C ATOM 501 C SER A 32 9.282 -3.897 9.137 1.00 0.00 C ATOM 502 O SER A 32 10.195 -4.612 9.558 1.00 0.00 O ATOM 503 CB SER A 32 7.736 -5.811 9.574 1.00 0.00 C ATOM 504 OG SER A 32 6.399 -6.225 9.797 1.00 0.00 O ATOM 0 H SER A 32 7.409 -4.198 7.291 1.00 0.00 H new ATOM 0 HA SER A 32 7.434 -3.765 10.218 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.141 -6.333 8.707 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.352 -6.087 10.429 1.00 0.00 H new ATOM 0 HG SER A 32 6.376 -7.195 9.937 1.00 0.00 H new ATOM 510 N SER A 33 9.502 -2.745 8.498 1.00 0.00 N ATOM 511 CA SER A 33 10.857 -2.261 8.232 1.00 0.00 C ATOM 512 C SER A 33 10.841 -0.825 7.704 1.00 0.00 C ATOM 513 O SER A 33 10.017 -0.476 6.856 1.00 0.00 O ATOM 514 CB SER A 33 11.564 -3.185 7.232 1.00 0.00 C ATOM 515 OG SER A 33 12.847 -2.690 6.890 1.00 0.00 O ATOM 0 H SER A 33 8.761 -2.133 8.157 1.00 0.00 H new ATOM 0 HA SER A 33 11.406 -2.267 9.173 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.659 -4.183 7.661 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.957 -3.282 6.332 1.00 0.00 H new ATOM 0 HG SER A 33 13.274 -3.300 6.253 1.00 0.00 H new ATOM 521 N ARG A 34 11.757 0.002 8.216 1.00 0.00 N ATOM 522 CA ARG A 34 11.860 1.399 7.793 1.00 0.00 C ATOM 523 C ARG A 34 12.215 1.491 6.310 1.00 0.00 C ATOM 524 O ARG A 34 11.537 2.178 5.544 1.00 0.00 O ATOM 525 CB ARG A 34 12.909 2.134 8.634 1.00 0.00 C ATOM 526 CG ARG A 34 13.018 3.621 8.326 1.00 0.00 C ATOM 527 CD ARG A 34 13.979 4.321 9.277 1.00 0.00 C ATOM 528 NE ARG A 34 13.470 4.362 10.649 1.00 0.00 N ATOM 529 CZ ARG A 34 14.205 4.708 11.710 1.00 0.00 C ATOM 530 NH1 ARG A 34 15.486 5.041 11.568 1.00 0.00 N ATOM 531 NH2 ARG A 34 13.656 4.720 12.920 1.00 0.00 N ATOM 0 H ARG A 34 12.438 -0.273 8.924 1.00 0.00 H new ATOM 0 HA ARG A 34 10.891 1.874 7.945 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.667 2.009 9.689 1.00 0.00 H new ATOM 0 HB3 ARG A 34 13.881 1.668 8.473 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.358 3.757 7.299 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.033 4.082 8.399 1.00 0.00 H new ATOM 0 HD2 ARG A 34 14.940 3.806 9.263 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.157 5.338 8.927 1.00 0.00 H new ATOM 0 HE ARG A 34 12.494 4.111 10.805 1.00 0.00 H new ATOM 0 HH11 ARG A 34 15.915 5.034 10.643 1.00 0.00 H new ATOM 0 HH12 ARG A 34 16.038 5.304 12.384 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.675 4.465 13.038 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.215 4.984 13.731 1.00 0.00 H new ATOM 545 N GLY A 35 13.285 0.794 5.917 1.00 0.00 N ATOM 546 CA GLY A 35 13.709 0.793 4.526 1.00 0.00 C ATOM 547 C GLY A 35 12.643 0.236 3.601 1.00 0.00 C ATOM 548 O GLY A 35 12.510 0.685 2.461 1.00 0.00 O ATOM 0 H GLY A 35 13.864 0.231 6.540 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.955 1.811 4.222 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.619 0.202 4.426 1.00 0.00 H new ATOM 552 N GLU A 36 11.884 -0.751 4.090 1.00 0.00 N ATOM 553 CA GLU A 36 10.806 -1.351 3.308 1.00 0.00 C ATOM 554 C GLU A 36 9.801 -0.279 2.895 1.00 0.00 C ATOM 555 O GLU A 36 9.351 -0.248 1.750 1.00 0.00 O ATOM 556 CB GLU A 36 10.105 -2.449 4.117 1.00 0.00 C ATOM 557 CG GLU A 36 8.900 -3.062 3.416 1.00 0.00 C ATOM 558 CD GLU A 36 9.267 -3.777 2.128 1.00 0.00 C ATOM 559 OE1 GLU A 36 9.565 -4.988 2.185 1.00 0.00 O ATOM 560 OE2 GLU A 36 9.255 -3.126 1.063 1.00 0.00 O ATOM 0 H GLU A 36 11.999 -1.148 5.022 1.00 0.00 H new ATOM 0 HA GLU A 36 11.233 -1.800 2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.824 -3.238 4.338 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.784 -2.033 5.072 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.413 -3.766 4.091 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.176 -2.278 3.197 1.00 0.00 H new ATOM 567 N PHE A 37 9.462 0.605 3.841 1.00 0.00 N ATOM 568 CA PHE A 37 8.526 1.693 3.580 1.00 0.00 C ATOM 569 C PHE A 37 9.047 2.589 2.455 1.00 0.00 C ATOM 570 O PHE A 37 8.283 3.021 1.591 1.00 0.00 O ATOM 571 CB PHE A 37 8.296 2.517 4.851 1.00 0.00 C ATOM 572 CG PHE A 37 7.110 3.438 4.765 1.00 0.00 C ATOM 573 CD1 PHE A 37 5.820 2.932 4.806 1.00 0.00 C ATOM 574 CD2 PHE A 37 7.286 4.806 4.646 1.00 0.00 C ATOM 575 CE1 PHE A 37 4.729 3.775 4.728 1.00 0.00 C ATOM 576 CE2 PHE A 37 6.198 5.654 4.567 1.00 0.00 C ATOM 577 CZ PHE A 37 4.918 5.138 4.609 1.00 0.00 C ATOM 0 H PHE A 37 9.825 0.584 4.794 1.00 0.00 H new ATOM 0 HA PHE A 37 7.575 1.261 3.268 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.159 1.839 5.694 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.189 3.107 5.058 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.667 1.867 4.900 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.285 5.215 4.615 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.729 3.369 4.760 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.349 6.719 4.473 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.066 5.799 4.549 1.00 0.00 H new ATOM 587 N ILE A 38 10.348 2.887 2.489 1.00 0.00 N ATOM 588 CA ILE A 38 10.978 3.706 1.455 1.00 0.00 C ATOM 589 C ILE A 38 10.736 3.118 0.063 1.00 0.00 C ATOM 590 O ILE A 38 10.253 3.817 -0.829 1.00 0.00 O ATOM 591 CB ILE A 38 12.498 3.845 1.701 1.00 0.00 C ATOM 592 CG1 ILE A 38 12.760 4.465 3.080 1.00 0.00 C ATOM 593 CG2 ILE A 38 13.144 4.685 0.606 1.00 0.00 C ATOM 594 CD1 ILE A 38 12.035 5.777 3.309 1.00 0.00 C ATOM 0 H ILE A 38 10.984 2.573 3.222 1.00 0.00 H new ATOM 0 HA ILE A 38 10.522 4.695 1.505 1.00 0.00 H new ATOM 0 HB ILE A 38 12.944 2.851 1.677 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.459 3.755 3.850 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.831 4.627 3.197 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.214 4.771 0.797 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.985 4.207 -0.361 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.696 5.679 0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.270 6.153 4.305 1.00 0.00 H new ATOM 0 HD12 ILE A 38 12.354 6.504 2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.960 5.618 3.225 1.00 0.00 H new ATOM 606 N SER A 39 11.073 1.834 -0.121 1.00 0.00 N ATOM 607 CA SER A 39 10.887 1.177 -1.418 1.00 0.00 C ATOM 608 C SER A 39 9.417 1.228 -1.832 1.00 0.00 C ATOM 609 O SER A 39 9.074 1.882 -2.818 1.00 0.00 O ATOM 610 CB SER A 39 11.381 -0.272 -1.370 1.00 0.00 C ATOM 611 OG SER A 39 12.754 -0.333 -1.025 1.00 0.00 O ATOM 0 H SER A 39 11.471 1.237 0.604 1.00 0.00 H new ATOM 0 HA SER A 39 11.478 1.712 -2.162 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.795 -0.835 -0.643 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.225 -0.745 -2.340 1.00 0.00 H new ATOM 0 HG SER A 39 13.044 -1.269 -1.000 1.00 0.00 H new ATOM 617 N VAL A 40 8.564 0.512 -1.086 1.00 0.00 N ATOM 618 CA VAL A 40 7.126 0.432 -1.373 1.00 0.00 C ATOM 619 C VAL A 40 6.530 1.712 -1.963 1.00 0.00 C ATOM 620 O VAL A 40 5.670 1.634 -2.843 1.00 0.00 O ATOM 621 CB VAL A 40 6.307 0.013 -0.130 1.00 0.00 C ATOM 622 CG1 VAL A 40 6.689 -1.393 0.309 1.00 0.00 C ATOM 623 CG2 VAL A 40 6.491 0.999 1.010 1.00 0.00 C ATOM 0 H VAL A 40 8.851 -0.027 -0.269 1.00 0.00 H new ATOM 0 HA VAL A 40 7.051 -0.341 -2.138 1.00 0.00 H new ATOM 0 HB VAL A 40 5.252 0.017 -0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.103 -1.672 1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.488 -2.094 -0.501 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.750 -1.421 0.558 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.902 0.676 1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.544 1.042 1.287 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.159 1.988 0.693 1.00 0.00 H new ATOM 633 N GLY A 41 6.968 2.885 -1.496 1.00 0.00 N ATOM 634 CA GLY A 41 6.436 4.132 -2.022 1.00 0.00 C ATOM 635 C GLY A 41 6.024 5.091 -0.919 1.00 0.00 C ATOM 636 O GLY A 41 4.978 5.733 -1.016 1.00 0.00 O ATOM 0 H GLY A 41 7.676 2.991 -0.769 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.187 4.608 -2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.575 3.919 -2.656 1.00 0.00 H new ATOM 640 N GLY A 42 6.852 5.198 0.127 1.00 0.00 N ATOM 641 CA GLY A 42 6.538 6.072 1.242 1.00 0.00 C ATOM 642 C GLY A 42 7.625 7.090 1.523 1.00 0.00 C ATOM 643 O GLY A 42 8.563 6.815 2.274 1.00 0.00 O ATOM 0 H GLY A 42 7.733 4.692 0.216 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.604 6.594 1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.374 5.468 2.135 1.00 0.00 H new ATOM 647 N ASP A 43 7.495 8.266 0.918 1.00 0.00 N ATOM 648 CA ASP A 43 8.435 9.359 1.158 1.00 0.00 C ATOM 649 C ASP A 43 7.985 10.116 2.409 1.00 0.00 C ATOM 650 O ASP A 43 8.584 9.961 3.475 1.00 0.00 O ATOM 651 CB ASP A 43 8.501 10.290 -0.057 1.00 0.00 C ATOM 652 CG ASP A 43 9.125 9.618 -1.265 1.00 0.00 C ATOM 653 OD1 ASP A 43 8.380 8.985 -2.044 1.00 0.00 O ATOM 654 OD2 ASP A 43 10.359 9.721 -1.432 1.00 0.00 O ATOM 0 H ASP A 43 6.749 8.488 0.258 1.00 0.00 H new ATOM 0 HA ASP A 43 9.438 8.961 1.314 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.495 10.625 -0.310 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.078 11.178 0.200 1.00 0.00 H new ATOM 659 N GLY A 44 6.936 10.933 2.283 1.00 0.00 N ATOM 660 CA GLY A 44 6.446 11.688 3.426 1.00 0.00 C ATOM 661 C GLY A 44 5.014 12.152 3.254 1.00 0.00 C ATOM 662 O GLY A 44 4.115 11.664 3.935 1.00 0.00 O ATOM 0 H GLY A 44 6.421 11.084 1.415 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.518 11.070 4.321 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.087 12.555 3.585 1.00 0.00 H new ATOM 666 N ARG A 45 4.802 13.101 2.346 1.00 0.00 N ATOM 667 CA ARG A 45 3.465 13.629 2.092 1.00 0.00 C ATOM 668 C ARG A 45 2.769 12.826 0.997 1.00 0.00 C ATOM 669 O ARG A 45 2.870 13.152 -0.188 1.00 0.00 O ATOM 670 CB ARG A 45 3.536 15.112 1.709 1.00 0.00 C ATOM 671 CG ARG A 45 3.993 16.022 2.843 1.00 0.00 C ATOM 672 CD ARG A 45 5.479 15.862 3.142 1.00 0.00 C ATOM 673 NE ARG A 45 6.309 16.062 1.952 1.00 0.00 N ATOM 674 CZ ARG A 45 7.521 15.524 1.783 1.00 0.00 C ATOM 675 NH1 ARG A 45 8.065 14.766 2.732 1.00 0.00 N ATOM 676 NH2 ARG A 45 8.195 15.751 0.660 1.00 0.00 N ATOM 0 H ARG A 45 5.537 13.519 1.775 1.00 0.00 H new ATOM 0 HA ARG A 45 2.881 13.538 3.008 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.218 15.227 0.867 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.552 15.437 1.370 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.786 17.060 2.581 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.417 15.799 3.741 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.772 16.577 3.911 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.661 14.866 3.546 1.00 0.00 H new ATOM 0 HE ARG A 45 5.939 16.649 1.205 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.556 14.591 3.599 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.990 14.360 2.593 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.787 16.335 -0.070 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.120 15.342 0.529 1.00 0.00 H new ATOM 690 N MET A 46 2.073 11.763 1.405 1.00 0.00 N ATOM 691 CA MET A 46 1.359 10.905 0.462 1.00 0.00 C ATOM 692 C MET A 46 0.027 11.529 0.046 1.00 0.00 C ATOM 693 O MET A 46 -0.408 12.532 0.618 1.00 0.00 O ATOM 694 CB MET A 46 1.120 9.520 1.068 1.00 0.00 C ATOM 695 CG MET A 46 1.063 8.408 0.032 1.00 0.00 C ATOM 696 SD MET A 46 2.460 7.276 0.151 1.00 0.00 S ATOM 697 CE MET A 46 3.830 8.407 -0.078 1.00 0.00 C ATOM 0 H MET A 46 1.990 11.477 2.381 1.00 0.00 H new ATOM 0 HA MET A 46 1.982 10.800 -0.427 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.915 9.302 1.781 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.185 9.533 1.628 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.136 7.849 0.156 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.040 8.847 -0.965 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.633 7.902 -0.614 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.497 9.270 -0.654 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.195 8.738 0.894 1.00 0.00 H new ATOM 707 N SER A 47 -0.615 10.927 -0.955 1.00 0.00 N ATOM 708 CA SER A 47 -1.891 11.422 -1.458 1.00 0.00 C ATOM 709 C SER A 47 -3.079 10.772 -0.744 1.00 0.00 C ATOM 710 O SER A 47 -3.680 11.369 0.150 1.00 0.00 O ATOM 711 CB SER A 47 -1.988 11.183 -2.969 1.00 0.00 C ATOM 712 OG SER A 47 -1.156 12.079 -3.685 1.00 0.00 O ATOM 0 H SER A 47 -0.270 10.095 -1.433 1.00 0.00 H new ATOM 0 HA SER A 47 -1.933 12.492 -1.255 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.701 10.156 -3.196 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.022 11.305 -3.293 1.00 0.00 H new ATOM 0 HG SER A 47 -1.236 11.903 -4.646 1.00 0.00 H new ATOM 718 N HIS A 48 -3.399 9.543 -1.150 1.00 0.00 N ATOM 719 CA HIS A 48 -4.532 8.796 -0.610 1.00 0.00 C ATOM 720 C HIS A 48 -4.550 7.385 -1.199 1.00 0.00 C ATOM 721 O HIS A 48 -4.324 6.412 -0.476 1.00 0.00 O ATOM 722 CB HIS A 48 -5.838 9.527 -0.944 1.00 0.00 C ATOM 723 CG HIS A 48 -7.070 8.800 -0.502 1.00 0.00 C ATOM 724 ND1 HIS A 48 -7.561 8.865 0.785 1.00 0.00 N ATOM 725 CD2 HIS A 48 -7.913 7.989 -1.184 1.00 0.00 C ATOM 726 CE1 HIS A 48 -8.652 8.124 0.875 1.00 0.00 C ATOM 727 NE2 HIS A 48 -8.887 7.584 -0.305 1.00 0.00 N ATOM 0 H HIS A 48 -2.877 9.037 -1.865 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.434 8.723 0.473 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.822 10.512 -0.477 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.889 9.686 -2.021 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.834 7.712 -2.225 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.249 7.985 1.764 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.667 6.965 -0.529 1.00 0.00 H new ATOM 736 N LYS A 49 -4.816 7.269 -2.499 1.00 0.00 N ATOM 737 CA LYS A 49 -4.803 5.969 -3.168 1.00 0.00 C ATOM 738 C LYS A 49 -3.382 5.404 -3.201 1.00 0.00 C ATOM 739 O LYS A 49 -3.187 4.187 -3.208 1.00 0.00 O ATOM 740 CB LYS A 49 -5.339 6.104 -4.594 1.00 0.00 C ATOM 741 CG LYS A 49 -6.856 6.106 -4.671 1.00 0.00 C ATOM 742 CD LYS A 49 -7.349 6.042 -6.110 1.00 0.00 C ATOM 743 CE LYS A 49 -7.066 7.333 -6.866 1.00 0.00 C ATOM 744 NZ LYS A 49 -7.870 8.475 -6.345 1.00 0.00 N ATOM 0 H LYS A 49 -5.042 8.056 -3.108 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.443 5.286 -2.610 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.959 7.028 -5.031 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.953 5.283 -5.198 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.249 5.256 -4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.243 7.006 -4.194 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.867 5.209 -6.622 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.421 5.844 -6.118 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.005 7.572 -6.790 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.285 7.189 -7.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.804 9.276 -7.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.864 8.185 -6.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.503 8.762 -5.415 1.00 0.00 H new ATOM 758 N GLU A 50 -2.395 6.302 -3.221 1.00 0.00 N ATOM 759 CA GLU A 50 -0.985 5.923 -3.257 1.00 0.00 C ATOM 760 C GLU A 50 -0.566 5.176 -1.990 1.00 0.00 C ATOM 761 O GLU A 50 -0.006 4.083 -2.072 1.00 0.00 O ATOM 762 CB GLU A 50 -0.116 7.175 -3.436 1.00 0.00 C ATOM 763 CG GLU A 50 1.383 6.906 -3.409 1.00 0.00 C ATOM 764 CD GLU A 50 1.820 5.885 -4.446 1.00 0.00 C ATOM 765 OE1 GLU A 50 1.989 6.270 -5.623 1.00 0.00 O ATOM 766 OE2 GLU A 50 1.997 4.703 -4.082 1.00 0.00 O ATOM 0 H GLU A 50 -2.552 7.310 -3.213 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.841 5.250 -4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.372 7.648 -4.384 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.360 7.888 -2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.918 7.841 -3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.666 6.553 -2.417 1.00 0.00 H new ATOM 773 N ALA A 51 -0.847 5.767 -0.822 1.00 0.00 N ATOM 774 CA ALA A 51 -0.475 5.164 0.463 1.00 0.00 C ATOM 775 C ALA A 51 -0.876 3.692 0.534 1.00 0.00 C ATOM 776 O ALA A 51 -0.017 2.839 0.763 1.00 0.00 O ATOM 777 CB ALA A 51 -1.081 5.942 1.621 1.00 0.00 C ATOM 0 H ALA A 51 -1.330 6.662 -0.741 1.00 0.00 H new ATOM 0 HA ALA A 51 0.611 5.213 0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.792 5.476 2.563 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.719 6.970 1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.167 5.938 1.533 1.00 0.00 H new ATOM 783 N ILE A 52 -2.159 3.381 0.350 1.00 0.00 N ATOM 784 CA ILE A 52 -2.599 1.987 0.435 1.00 0.00 C ATOM 785 C ILE A 52 -1.837 1.126 -0.575 1.00 0.00 C ATOM 786 O ILE A 52 -1.369 0.038 -0.234 1.00 0.00 O ATOM 787 CB ILE A 52 -4.123 1.843 0.242 1.00 0.00 C ATOM 788 CG1 ILE A 52 -4.871 2.657 1.304 1.00 0.00 C ATOM 789 CG2 ILE A 52 -4.539 0.378 0.293 1.00 0.00 C ATOM 790 CD1 ILE A 52 -4.615 2.195 2.725 1.00 0.00 C ATOM 0 H ILE A 52 -2.896 4.056 0.146 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.373 1.634 1.441 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.385 2.233 -0.742 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.582 3.704 1.215 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.941 2.603 1.102 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.617 0.301 0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.031 -0.172 -0.499 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.266 -0.044 1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.179 2.820 3.418 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.931 1.157 2.833 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.551 2.275 2.948 1.00 0.00 H new ATOM 802 N LEU A 53 -1.725 1.613 -1.814 1.00 0.00 N ATOM 803 CA LEU A 53 -1.083 0.848 -2.889 1.00 0.00 C ATOM 804 C LEU A 53 0.302 0.311 -2.506 1.00 0.00 C ATOM 805 O LEU A 53 0.723 -0.728 -3.019 1.00 0.00 O ATOM 806 CB LEU A 53 -1.015 1.674 -4.175 1.00 0.00 C ATOM 807 CG LEU A 53 -0.547 0.927 -5.428 1.00 0.00 C ATOM 808 CD1 LEU A 53 -1.542 -0.154 -5.816 1.00 0.00 C ATOM 809 CD2 LEU A 53 -0.346 1.905 -6.576 1.00 0.00 C ATOM 0 H LEU A 53 -2.069 2.530 -2.098 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.710 -0.027 -3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.004 2.087 -4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.345 2.517 -4.007 1.00 0.00 H new ATOM 0 HG LEU A 53 0.405 0.445 -5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.188 -0.671 -6.708 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.641 -0.868 -4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.512 0.300 -6.020 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.013 1.363 -7.461 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.287 2.411 -6.792 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.407 2.643 -6.298 1.00 0.00 H new ATOM 821 N LEU A 54 1.009 1.020 -1.618 1.00 0.00 N ATOM 822 CA LEU A 54 2.335 0.593 -1.158 1.00 0.00 C ATOM 823 C LEU A 54 2.362 -0.895 -0.772 1.00 0.00 C ATOM 824 O LEU A 54 3.375 -1.570 -0.956 1.00 0.00 O ATOM 825 CB LEU A 54 2.765 1.430 0.053 1.00 0.00 C ATOM 826 CG LEU A 54 3.497 2.739 -0.259 1.00 0.00 C ATOM 827 CD1 LEU A 54 2.616 3.679 -1.063 1.00 0.00 C ATOM 828 CD2 LEU A 54 3.949 3.407 1.032 1.00 0.00 C ATOM 0 H LEU A 54 0.684 1.893 -1.203 1.00 0.00 H new ATOM 0 HA LEU A 54 3.026 0.742 -1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.877 1.665 0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.411 0.817 0.682 1.00 0.00 H new ATOM 0 HG LEU A 54 4.375 2.505 -0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.161 4.600 -1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.338 3.202 -2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.716 3.910 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.468 4.336 0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.080 3.623 1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.623 2.740 1.570 1.00 0.00 H new ATOM 840 N GLY A 55 1.241 -1.387 -0.228 1.00 0.00 N ATOM 841 CA GLY A 55 1.139 -2.780 0.196 1.00 0.00 C ATOM 842 C GLY A 55 1.579 -3.784 -0.859 1.00 0.00 C ATOM 843 O GLY A 55 2.307 -4.726 -0.546 1.00 0.00 O ATOM 0 H GLY A 55 0.396 -0.838 -0.073 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.744 -2.921 1.091 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.106 -2.990 0.473 1.00 0.00 H new ATOM 847 N LEU A 56 1.124 -3.598 -2.101 1.00 0.00 N ATOM 848 CA LEU A 56 1.482 -4.506 -3.199 1.00 0.00 C ATOM 849 C LEU A 56 2.991 -4.737 -3.265 1.00 0.00 C ATOM 850 O LEU A 56 3.440 -5.868 -3.455 1.00 0.00 O ATOM 851 CB LEU A 56 0.984 -3.964 -4.544 1.00 0.00 C ATOM 852 CG LEU A 56 -0.490 -3.549 -4.586 1.00 0.00 C ATOM 853 CD1 LEU A 56 -0.926 -3.284 -6.019 1.00 0.00 C ATOM 854 CD2 LEU A 56 -1.368 -4.613 -3.943 1.00 0.00 C ATOM 0 H LEU A 56 0.509 -2.831 -2.373 1.00 0.00 H new ATOM 0 HA LEU A 56 0.995 -5.460 -2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.593 -3.102 -4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.150 -4.725 -5.306 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.604 -2.627 -4.016 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.976 -2.990 -6.032 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.320 -2.483 -6.441 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.795 -4.189 -6.612 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.411 -4.298 -3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.252 -5.554 -4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.071 -4.750 -2.903 1.00 0.00 H new ATOM 866 N ARG A 57 3.768 -3.663 -3.114 1.00 0.00 N ATOM 867 CA ARG A 57 5.228 -3.757 -3.152 1.00 0.00 C ATOM 868 C ARG A 57 5.754 -4.634 -2.012 1.00 0.00 C ATOM 869 O ARG A 57 6.744 -5.349 -2.174 1.00 0.00 O ATOM 870 CB ARG A 57 5.856 -2.362 -3.068 1.00 0.00 C ATOM 871 CG ARG A 57 5.487 -1.450 -4.229 1.00 0.00 C ATOM 872 CD ARG A 57 6.010 -1.987 -5.552 1.00 0.00 C ATOM 873 NE ARG A 57 5.640 -1.129 -6.679 1.00 0.00 N ATOM 874 CZ ARG A 57 6.133 -1.260 -7.913 1.00 0.00 C ATOM 875 NH1 ARG A 57 7.020 -2.212 -8.189 1.00 0.00 N ATOM 876 NH2 ARG A 57 5.737 -0.432 -8.874 1.00 0.00 N ATOM 0 H ARG A 57 3.411 -2.719 -2.964 1.00 0.00 H new ATOM 0 HA ARG A 57 5.508 -4.218 -4.099 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.547 -1.890 -2.135 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.941 -2.464 -3.029 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.403 -1.347 -4.281 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.894 -0.454 -4.054 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.095 -2.074 -5.504 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.617 -2.990 -5.716 1.00 0.00 H new ATOM 0 HE ARG A 57 4.963 -0.385 -6.511 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.329 -2.849 -7.455 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.391 -2.305 -9.135 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.058 0.301 -8.668 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.112 -0.529 -9.818 1.00 0.00 H new ATOM 890 N TYR A 58 5.080 -4.572 -0.861 1.00 0.00 N ATOM 891 CA TYR A 58 5.459 -5.361 0.309 1.00 0.00 C ATOM 892 C TYR A 58 5.235 -6.855 0.070 1.00 0.00 C ATOM 893 O TYR A 58 6.115 -7.677 0.329 1.00 0.00 O ATOM 894 CB TYR A 58 4.648 -4.909 1.528 1.00 0.00 C ATOM 895 CG TYR A 58 5.068 -5.568 2.824 1.00 0.00 C ATOM 896 CD1 TYR A 58 6.204 -5.149 3.504 1.00 0.00 C ATOM 897 CD2 TYR A 58 4.325 -6.608 3.367 1.00 0.00 C ATOM 898 CE1 TYR A 58 6.589 -5.747 4.688 1.00 0.00 C ATOM 899 CE2 TYR A 58 4.702 -7.211 4.551 1.00 0.00 C ATOM 900 CZ TYR A 58 5.835 -6.777 5.208 1.00 0.00 C ATOM 901 OH TYR A 58 6.214 -7.375 6.389 1.00 0.00 O ATOM 0 H TYR A 58 4.263 -3.978 -0.716 1.00 0.00 H new ATOM 0 HA TYR A 58 6.521 -5.200 0.492 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.742 -3.828 1.634 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.594 -5.121 1.349 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.797 -4.342 3.100 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.438 -6.951 2.855 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.476 -5.409 5.204 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.113 -8.018 4.961 1.00 0.00 H new ATOM 0 HH TYR A 58 5.575 -8.082 6.617 1.00 0.00 H new ATOM 911 N LYS A 59 4.043 -7.189 -0.430 1.00 0.00 N ATOM 912 CA LYS A 59 3.665 -8.573 -0.705 1.00 0.00 C ATOM 913 C LYS A 59 4.273 -9.093 -2.011 1.00 0.00 C ATOM 914 O LYS A 59 4.248 -10.298 -2.267 1.00 0.00 O ATOM 915 CB LYS A 59 2.141 -8.686 -0.762 1.00 0.00 C ATOM 916 CG LYS A 59 1.460 -8.356 0.556 1.00 0.00 C ATOM 917 CD LYS A 59 1.834 -9.356 1.640 1.00 0.00 C ATOM 918 CE LYS A 59 1.280 -8.945 2.992 1.00 0.00 C ATOM 919 NZ LYS A 59 1.647 -9.913 4.063 1.00 0.00 N ATOM 0 H LYS A 59 3.317 -6.509 -0.654 1.00 0.00 H new ATOM 0 HA LYS A 59 4.058 -9.189 0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.763 -8.016 -1.535 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.870 -9.699 -1.058 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.743 -7.352 0.872 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.379 -8.354 0.418 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.453 -10.342 1.374 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.919 -9.440 1.701 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.657 -7.956 3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.195 -8.867 2.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.249 -9.595 4.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.266 -10.852 3.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.683 -9.969 4.140 1.00 0.00 H new ATOM 933 N LYS A 60 4.808 -8.186 -2.834 1.00 0.00 N ATOM 934 CA LYS A 60 5.422 -8.559 -4.108 1.00 0.00 C ATOM 935 C LYS A 60 4.363 -9.046 -5.100 1.00 0.00 C ATOM 936 O LYS A 60 4.331 -10.223 -5.469 1.00 0.00 O ATOM 937 CB LYS A 60 6.498 -9.633 -3.899 1.00 0.00 C ATOM 938 CG LYS A 60 7.492 -9.298 -2.798 1.00 0.00 C ATOM 939 CD LYS A 60 8.515 -10.409 -2.606 1.00 0.00 C ATOM 940 CE LYS A 60 7.867 -11.696 -2.115 1.00 0.00 C ATOM 941 NZ LYS A 60 7.215 -11.527 -0.785 1.00 0.00 N ATOM 0 H LYS A 60 4.827 -7.185 -2.638 1.00 0.00 H new ATOM 0 HA LYS A 60 5.899 -7.672 -4.525 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.012 -10.580 -3.662 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.040 -9.778 -4.834 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.006 -8.368 -3.042 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.957 -9.130 -1.863 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.028 -10.597 -3.549 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.271 -10.087 -1.890 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.125 -12.027 -2.842 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.622 -12.479 -2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.983 -12.461 -0.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.864 -11.031 -0.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.343 -10.971 -0.894 1.00 0.00 H new ATOM 955 N LEU A 61 3.494 -8.128 -5.520 1.00 0.00 N ATOM 956 CA LEU A 61 2.431 -8.453 -6.476 1.00 0.00 C ATOM 957 C LEU A 61 1.780 -7.194 -7.063 1.00 0.00 C ATOM 958 O LEU A 61 0.606 -7.212 -7.433 1.00 0.00 O ATOM 959 CB LEU A 61 1.373 -9.346 -5.812 1.00 0.00 C ATOM 960 CG LEU A 61 1.082 -9.042 -4.336 1.00 0.00 C ATOM 961 CD1 LEU A 61 0.635 -7.600 -4.153 1.00 0.00 C ATOM 962 CD2 LEU A 61 0.031 -9.997 -3.796 1.00 0.00 C ATOM 0 H LEU A 61 3.503 -7.155 -5.215 1.00 0.00 H new ATOM 0 HA LEU A 61 2.889 -8.996 -7.303 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.443 -9.256 -6.373 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.696 -10.384 -5.894 1.00 0.00 H new ATOM 0 HG LEU A 61 2.005 -9.183 -3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.436 -7.412 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.421 -6.929 -4.499 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.272 -7.424 -4.731 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.164 -9.768 -2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.890 -9.887 -4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.392 -11.022 -3.883 1.00 0.00 H new ATOM 974 N TYR A 62 2.553 -6.113 -7.170 1.00 0.00 N ATOM 975 CA TYR A 62 2.059 -4.849 -7.721 1.00 0.00 C ATOM 976 C TYR A 62 1.511 -5.007 -9.150 1.00 0.00 C ATOM 977 O TYR A 62 0.729 -4.173 -9.612 1.00 0.00 O ATOM 978 CB TYR A 62 3.197 -3.819 -7.705 1.00 0.00 C ATOM 979 CG TYR A 62 2.809 -2.447 -8.211 1.00 0.00 C ATOM 980 CD1 TYR A 62 2.290 -1.491 -7.349 1.00 0.00 C ATOM 981 CD2 TYR A 62 2.975 -2.107 -9.547 1.00 0.00 C ATOM 982 CE1 TYR A 62 1.946 -0.234 -7.805 1.00 0.00 C ATOM 983 CE2 TYR A 62 2.632 -0.852 -10.011 1.00 0.00 C ATOM 984 CZ TYR A 62 2.119 0.082 -9.136 1.00 0.00 C ATOM 985 OH TYR A 62 1.780 1.337 -9.590 1.00 0.00 O ATOM 0 H TYR A 62 3.531 -6.087 -6.880 1.00 0.00 H new ATOM 0 HA TYR A 62 1.230 -4.511 -7.099 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.570 -3.724 -6.685 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.020 -4.197 -8.311 1.00 0.00 H new ATOM 0 HD1 TYR A 62 2.153 -1.734 -6.306 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.379 -2.836 -10.234 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.543 0.499 -7.122 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.765 -0.604 -11.054 1.00 0.00 H new ATOM 0 HH TYR A 62 1.964 1.398 -10.551 1.00 0.00 H new ATOM 995 N ASN A 63 1.912 -6.079 -9.839 1.00 0.00 N ATOM 996 CA ASN A 63 1.479 -6.324 -11.216 1.00 0.00 C ATOM 997 C ASN A 63 -0.013 -6.671 -11.324 1.00 0.00 C ATOM 998 O ASN A 63 -0.789 -5.898 -11.887 1.00 0.00 O ATOM 999 CB ASN A 63 2.322 -7.442 -11.841 1.00 0.00 C ATOM 1000 CG ASN A 63 2.002 -7.664 -13.308 1.00 0.00 C ATOM 1001 OD1 ASN A 63 1.140 -8.472 -13.650 1.00 0.00 O ATOM 1002 ND2 ASN A 63 2.695 -6.945 -14.185 1.00 0.00 N ATOM 0 H ASN A 63 2.537 -6.792 -9.464 1.00 0.00 H new ATOM 0 HA ASN A 63 1.628 -5.393 -11.763 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.379 -7.197 -11.737 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.154 -8.369 -11.292 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.520 -7.053 -15.184 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.401 -6.285 -13.859 1.00 0.00 H new ATOM 1009 N GLN A 64 -0.411 -7.830 -10.787 1.00 0.00 N ATOM 1010 CA GLN A 64 -1.807 -8.280 -10.877 1.00 0.00 C ATOM 1011 C GLN A 64 -2.651 -7.897 -9.657 1.00 0.00 C ATOM 1012 O GLN A 64 -3.861 -8.136 -9.664 1.00 0.00 O ATOM 1013 CB GLN A 64 -1.859 -9.794 -11.082 1.00 0.00 C ATOM 1014 CG GLN A 64 -1.486 -10.236 -12.489 1.00 0.00 C ATOM 1015 CD GLN A 64 -1.466 -11.746 -12.648 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -2.211 -12.464 -11.981 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -0.608 -12.237 -13.536 1.00 0.00 N ATOM 0 H GLN A 64 0.208 -8.470 -10.289 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.240 -7.765 -11.735 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.185 -10.271 -10.371 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.865 -10.148 -10.855 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.196 -9.810 -13.198 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.504 -9.836 -12.742 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.008 -11.607 -14.068 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.549 -13.244 -13.685 1.00 0.00 H new ATOM 1026 N ALA A 65 -2.062 -7.315 -8.616 1.00 0.00 N ATOM 1027 CA ALA A 65 -2.840 -6.959 -7.428 1.00 0.00 C ATOM 1028 C ALA A 65 -3.701 -5.717 -7.661 1.00 0.00 C ATOM 1029 O ALA A 65 -4.862 -5.677 -7.248 1.00 0.00 O ATOM 1030 CB ALA A 65 -1.923 -6.753 -6.235 1.00 0.00 C ATOM 0 H ALA A 65 -1.070 -7.083 -8.567 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.514 -7.789 -7.218 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.518 -6.489 -5.360 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.373 -7.673 -6.036 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.219 -5.949 -6.451 1.00 0.00 H new ATOM 1036 N ARG A 66 -3.129 -4.708 -8.322 1.00 0.00 N ATOM 1037 CA ARG A 66 -3.850 -3.465 -8.604 1.00 0.00 C ATOM 1038 C ARG A 66 -5.028 -3.698 -9.558 1.00 0.00 C ATOM 1039 O ARG A 66 -6.016 -2.964 -9.516 1.00 0.00 O ATOM 1040 CB ARG A 66 -2.898 -2.417 -9.188 1.00 0.00 C ATOM 1041 CG ARG A 66 -3.545 -1.053 -9.387 1.00 0.00 C ATOM 1042 CD ARG A 66 -2.511 0.026 -9.672 1.00 0.00 C ATOM 1043 NE ARG A 66 -1.794 -0.203 -10.926 1.00 0.00 N ATOM 1044 CZ ARG A 66 -1.095 0.735 -11.570 1.00 0.00 C ATOM 1045 NH1 ARG A 66 -1.025 1.976 -11.091 1.00 0.00 N ATOM 1046 NH2 ARG A 66 -0.463 0.432 -12.698 1.00 0.00 N ATOM 0 H ARG A 66 -2.171 -4.727 -8.671 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.253 -3.097 -7.660 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.038 -2.310 -8.526 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.520 -2.774 -10.146 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.254 -1.104 -10.213 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.113 -0.786 -8.495 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.005 0.997 -9.712 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.796 0.066 -8.850 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.830 -1.137 -11.334 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.508 2.216 -10.225 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.489 2.686 -11.590 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.512 -0.516 -13.071 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.071 1.147 -13.191 1.00 0.00 H new ATOM 1060 N VAL A 67 -4.920 -4.717 -10.416 1.00 0.00 N ATOM 1061 CA VAL A 67 -5.984 -5.035 -11.370 1.00 0.00 C ATOM 1062 C VAL A 67 -7.025 -5.979 -10.758 1.00 0.00 C ATOM 1063 O VAL A 67 -8.206 -5.913 -11.102 1.00 0.00 O ATOM 1064 CB VAL A 67 -5.420 -5.660 -12.668 1.00 0.00 C ATOM 1065 CG1 VAL A 67 -4.777 -7.013 -12.394 1.00 0.00 C ATOM 1066 CG2 VAL A 67 -6.511 -5.784 -13.724 1.00 0.00 C ATOM 0 H VAL A 67 -4.109 -5.333 -10.469 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.469 -4.091 -11.619 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.646 -4.995 -13.051 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.390 -7.427 -13.325 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.959 -6.890 -11.684 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.521 -7.692 -11.977 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.093 -6.226 -14.629 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.312 -6.419 -13.347 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.909 -4.796 -13.953 1.00 0.00 H new ATOM 1076 N LYS A 68 -6.583 -6.854 -9.851 1.00 0.00 N ATOM 1077 CA LYS A 68 -7.478 -7.811 -9.196 1.00 0.00 C ATOM 1078 C LYS A 68 -8.379 -7.146 -8.153 1.00 0.00 C ATOM 1079 O LYS A 68 -9.417 -7.701 -7.787 1.00 0.00 O ATOM 1080 CB LYS A 68 -6.669 -8.929 -8.537 1.00 0.00 C ATOM 1081 CG LYS A 68 -6.336 -10.073 -9.481 1.00 0.00 C ATOM 1082 CD LYS A 68 -5.408 -11.086 -8.832 1.00 0.00 C ATOM 1083 CE LYS A 68 -5.370 -12.390 -9.616 1.00 0.00 C ATOM 1084 NZ LYS A 68 -4.975 -12.181 -11.040 1.00 0.00 N ATOM 0 H LYS A 68 -5.610 -6.919 -9.553 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.121 -8.227 -9.972 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.742 -8.512 -8.143 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.229 -9.320 -7.688 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.256 -10.569 -9.791 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.869 -9.677 -10.382 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.403 -10.670 -8.766 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.739 -11.283 -7.812 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.667 -13.076 -9.143 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.351 -12.863 -9.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.382 -12.937 -11.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.329 -11.259 -11.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.938 -12.201 -11.119 1.00 0.00 H new ATOM 1098 N TYR A 69 -7.985 -5.966 -7.669 1.00 0.00 N ATOM 1099 CA TYR A 69 -8.770 -5.254 -6.666 1.00 0.00 C ATOM 1100 C TYR A 69 -8.942 -3.780 -7.028 1.00 0.00 C ATOM 1101 O TYR A 69 -8.194 -3.239 -7.845 1.00 0.00 O ATOM 1102 CB TYR A 69 -8.110 -5.388 -5.292 1.00 0.00 C ATOM 1103 CG TYR A 69 -8.092 -6.808 -4.772 1.00 0.00 C ATOM 1104 CD1 TYR A 69 -7.074 -7.685 -5.126 1.00 0.00 C ATOM 1105 CD2 TYR A 69 -9.098 -7.273 -3.935 1.00 0.00 C ATOM 1106 CE1 TYR A 69 -7.059 -8.985 -4.659 1.00 0.00 C ATOM 1107 CE2 TYR A 69 -9.088 -8.570 -3.463 1.00 0.00 C ATOM 1108 CZ TYR A 69 -8.067 -9.423 -3.829 1.00 0.00 C ATOM 1109 OH TYR A 69 -8.055 -10.718 -3.364 1.00 0.00 O ATOM 0 H TYR A 69 -7.131 -5.488 -7.955 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.762 -5.705 -6.635 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.087 -5.017 -5.351 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.638 -4.754 -4.580 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -6.282 -7.345 -5.777 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.901 -6.609 -3.649 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.261 -9.655 -4.943 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.876 -8.916 -2.810 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.684 -10.803 -2.617 1.00 0.00 H new ATOM 1119 N SER A 70 -9.938 -3.139 -6.416 1.00 0.00 N ATOM 1120 CA SER A 70 -10.220 -1.727 -6.667 1.00 0.00 C ATOM 1121 C SER A 70 -9.272 -0.823 -5.878 1.00 0.00 C ATOM 1122 O SER A 70 -9.541 -0.477 -4.726 1.00 0.00 O ATOM 1123 CB SER A 70 -11.676 -1.404 -6.313 1.00 0.00 C ATOM 1124 OG SER A 70 -12.574 -2.173 -7.094 1.00 0.00 O ATOM 0 H SER A 70 -10.564 -3.578 -5.741 1.00 0.00 H new ATOM 0 HA SER A 70 -10.062 -1.537 -7.729 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.849 -1.601 -5.255 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.866 -0.343 -6.474 1.00 0.00 H new ATOM 0 HG SER A 70 -13.496 -1.949 -6.848 1.00 0.00 H new ATOM 1130 N LEU A 71 -8.153 -0.456 -6.506 1.00 0.00 N ATOM 1131 CA LEU A 71 -7.160 0.416 -5.879 1.00 0.00 C ATOM 1132 C LEU A 71 -7.144 1.780 -6.569 1.00 0.00 C ATOM 1133 O LEU A 71 -7.502 2.791 -5.964 1.00 0.00 O ATOM 1134 CB LEU A 71 -5.765 -0.222 -5.937 1.00 0.00 C ATOM 1135 CG LEU A 71 -5.545 -1.411 -4.993 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -6.392 -2.602 -5.412 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -4.073 -1.793 -4.951 1.00 0.00 C ATOM 0 H LEU A 71 -7.912 -0.751 -7.452 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.434 0.552 -4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.577 -0.552 -6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.024 0.544 -5.708 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.855 -1.110 -3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.218 -3.432 -4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.446 -2.326 -5.387 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.120 -2.904 -6.424 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.936 -2.638 -4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.740 -2.069 -5.951 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.487 -0.946 -4.595 1.00 0.00 H new