USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 577 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 17 THR OG1 : rot 180:sc= -0.0596 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 161:sc= -0.0156 (180deg=-0.251) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -8:sc= 1.04 USER MOD Single : A 22 HIS : no HD1:sc= -9.83! C(o=-9.8!,f=-17!) USER MOD Single : A 23 LYS NZ :NH3+ 146:sc= 0.594 (180deg=0.164) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 162:sc= -0.298 (180deg=-1.1) USER MOD Single : A 40 THR OG1 : rot 83:sc= 0.113 USER MOD Single : A 42 LYS NZ :NH3+ -161:sc= -0.399 (180deg=-1.04) USER MOD Single : A 45 MET CE :methyl 156:sc= -0.249 (180deg=-1.06) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= -1.33 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 2 -7.723 6.960 0.878 1.00 0.00 N ATOM 14 CA ILE A 2 -6.419 6.321 1.208 1.00 0.00 C ATOM 15 C ILE A 2 -5.459 6.482 0.027 1.00 0.00 C ATOM 16 O ILE A 2 -5.419 5.664 -0.870 1.00 0.00 O ATOM 17 CB ILE A 2 -6.636 4.834 1.488 1.00 0.00 C ATOM 18 CG1 ILE A 2 -7.362 4.669 2.825 1.00 0.00 C ATOM 19 CG2 ILE A 2 -5.284 4.122 1.553 1.00 0.00 C ATOM 20 CD1 ILE A 2 -8.869 4.819 2.611 1.00 0.00 C ATOM 0 HA ILE A 2 -5.994 6.799 2.091 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.237 4.399 0.689 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -7.141 3.691 3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.009 5.415 3.537 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.440 3.062 1.753 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.765 4.239 0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.682 4.557 2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -9.385 4.701 3.564 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -9.082 5.807 2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -9.215 4.056 1.914 1.00 0.00 H new ATOM 32 N ASP A 3 -4.685 7.534 0.019 1.00 0.00 N ATOM 33 CA ASP A 3 -3.729 7.746 -1.104 1.00 0.00 C ATOM 34 C ASP A 3 -2.788 6.545 -1.208 1.00 0.00 C ATOM 35 O ASP A 3 -2.109 6.192 -0.263 1.00 0.00 O ATOM 36 CB ASP A 3 -2.912 9.014 -0.845 1.00 0.00 C ATOM 37 CG ASP A 3 -1.990 9.280 -2.037 1.00 0.00 C ATOM 38 OD1 ASP A 3 -1.828 8.382 -2.847 1.00 0.00 O ATOM 39 OD2 ASP A 3 -1.463 10.377 -2.118 1.00 0.00 O ATOM 0 H ASP A 3 -4.674 8.254 0.741 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.283 7.854 -2.037 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.578 9.863 -0.690 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.323 8.900 0.065 1.00 0.00 H new ATOM 44 N ILE A 4 -2.741 5.913 -2.348 1.00 0.00 N ATOM 45 CA ILE A 4 -1.843 4.734 -2.511 1.00 0.00 C ATOM 46 C ILE A 4 -0.552 5.171 -3.207 1.00 0.00 C ATOM 47 O ILE A 4 -0.572 5.685 -4.308 1.00 0.00 O ATOM 48 CB ILE A 4 -2.545 3.672 -3.359 1.00 0.00 C ATOM 49 CG1 ILE A 4 -3.905 3.344 -2.739 1.00 0.00 C ATOM 50 CG2 ILE A 4 -1.688 2.406 -3.402 1.00 0.00 C ATOM 51 CD1 ILE A 4 -4.748 2.555 -3.744 1.00 0.00 C ATOM 0 H ILE A 4 -3.285 6.162 -3.174 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.606 4.318 -1.532 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.687 4.050 -4.371 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.770 2.763 -1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.420 4.263 -2.459 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.188 1.649 -4.006 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.718 2.638 -3.841 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.547 2.028 -2.390 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.717 2.321 -3.302 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.894 3.152 -4.644 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.234 1.629 -4.002 1.00 0.00 H new ATOM 63 N LYS A 5 0.571 4.969 -2.575 1.00 0.00 N ATOM 64 CA LYS A 5 1.862 5.371 -3.202 1.00 0.00 C ATOM 65 C LYS A 5 2.962 4.397 -2.777 1.00 0.00 C ATOM 66 O LYS A 5 2.782 3.594 -1.882 1.00 0.00 O ATOM 67 CB LYS A 5 2.229 6.785 -2.747 1.00 0.00 C ATOM 68 CG LYS A 5 2.225 6.848 -1.218 1.00 0.00 C ATOM 69 CD LYS A 5 2.844 8.169 -0.758 1.00 0.00 C ATOM 70 CE LYS A 5 1.870 9.315 -1.038 1.00 0.00 C ATOM 71 NZ LYS A 5 0.755 9.272 -0.051 1.00 0.00 N ATOM 0 H LYS A 5 0.651 4.543 -1.652 1.00 0.00 H new ATOM 0 HA LYS A 5 1.761 5.352 -4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.212 7.058 -3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.518 7.505 -3.153 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.205 6.762 -0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.787 6.009 -0.808 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.073 8.124 0.307 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.785 8.342 -1.279 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.389 10.271 -0.975 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.476 9.233 -2.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.281 10.197 -0.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.071 8.541 -0.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.134 9.048 0.891 1.00 0.00 H new ATOM 85 N ALA A 6 4.101 4.461 -3.410 1.00 0.00 N ATOM 86 CA ALA A 6 5.211 3.537 -3.041 1.00 0.00 C ATOM 87 C ALA A 6 5.797 3.958 -1.690 1.00 0.00 C ATOM 88 O ALA A 6 5.766 5.121 -1.338 1.00 0.00 O ATOM 89 CB ALA A 6 6.303 3.600 -4.111 1.00 0.00 C ATOM 0 H ALA A 6 4.311 5.112 -4.166 1.00 0.00 H new ATOM 0 HA ALA A 6 4.828 2.519 -2.971 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.115 2.925 -3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.887 3.302 -5.073 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.686 4.618 -4.181 1.00 0.00 H new ATOM 95 N PRO A 7 6.314 2.992 -0.973 1.00 0.00 N ATOM 96 CA PRO A 7 6.920 3.223 0.351 1.00 0.00 C ATOM 97 C PRO A 7 8.325 3.813 0.200 1.00 0.00 C ATOM 98 O PRO A 7 9.158 3.283 -0.508 1.00 0.00 O ATOM 99 CB PRO A 7 6.977 1.822 0.967 1.00 0.00 C ATOM 100 CG PRO A 7 6.941 0.824 -0.215 1.00 0.00 C ATOM 101 CD PRO A 7 6.343 1.583 -1.416 1.00 0.00 C ATOM 0 HA PRO A 7 6.360 3.930 0.963 1.00 0.00 H new ATOM 0 HB2 PRO A 7 7.885 1.693 1.556 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.135 1.659 1.639 1.00 0.00 H new ATOM 0 HG2 PRO A 7 7.943 0.461 -0.446 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.335 -0.048 0.033 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.954 1.459 -2.310 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.344 1.221 -1.659 1.00 0.00 H new ATOM 109 N THR A 8 8.594 4.905 0.861 1.00 0.00 N ATOM 110 CA THR A 8 9.944 5.526 0.756 1.00 0.00 C ATOM 111 C THR A 8 11.015 4.443 0.895 1.00 0.00 C ATOM 112 O THR A 8 10.869 3.505 1.653 1.00 0.00 O ATOM 113 CB THR A 8 10.118 6.562 1.870 1.00 0.00 C ATOM 114 OG1 THR A 8 11.499 6.852 2.033 1.00 0.00 O ATOM 115 CG2 THR A 8 9.553 6.006 3.178 1.00 0.00 C ATOM 0 H THR A 8 7.937 5.394 1.469 1.00 0.00 H new ATOM 0 HA THR A 8 10.045 6.015 -0.213 1.00 0.00 H new ATOM 0 HB THR A 8 9.584 7.475 1.605 1.00 0.00 H new ATOM 0 HG1 THR A 8 11.612 7.516 2.745 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.677 6.744 3.971 1.00 0.00 H new ATOM 0 HG22 THR A 8 8.493 5.784 3.051 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.085 5.093 3.445 1.00 0.00 H new ATOM 123 N PHE A 9 12.092 4.564 0.168 1.00 0.00 N ATOM 124 CA PHE A 9 13.172 3.540 0.258 1.00 0.00 C ATOM 125 C PHE A 9 14.326 4.089 1.102 1.00 0.00 C ATOM 126 O PHE A 9 14.509 5.286 1.196 1.00 0.00 O ATOM 127 CB PHE A 9 13.680 3.210 -1.146 1.00 0.00 C ATOM 128 CG PHE A 9 12.525 2.753 -2.005 1.00 0.00 C ATOM 129 CD1 PHE A 9 11.596 1.834 -1.498 1.00 0.00 C ATOM 130 CD2 PHE A 9 12.383 3.246 -3.308 1.00 0.00 C ATOM 131 CE1 PHE A 9 10.524 1.410 -2.295 1.00 0.00 C ATOM 132 CE2 PHE A 9 11.311 2.823 -4.105 1.00 0.00 C ATOM 133 CZ PHE A 9 10.382 1.904 -3.598 1.00 0.00 C ATOM 0 H PHE A 9 12.271 5.327 -0.484 1.00 0.00 H new ATOM 0 HA PHE A 9 12.778 2.636 0.724 1.00 0.00 H new ATOM 0 HB2 PHE A 9 14.152 4.087 -1.589 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.440 2.430 -1.095 1.00 0.00 H new ATOM 0 HD1 PHE A 9 11.706 1.453 -0.494 1.00 0.00 H new ATOM 0 HD2 PHE A 9 13.100 3.953 -3.699 1.00 0.00 H new ATOM 0 HE1 PHE A 9 9.807 0.702 -1.905 1.00 0.00 H new ATOM 0 HE2 PHE A 9 11.201 3.205 -5.109 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.556 1.577 -4.212 1.00 0.00 H new ATOM 143 N PRO A 10 15.071 3.190 1.693 1.00 0.00 N ATOM 144 CA PRO A 10 16.222 3.544 2.541 1.00 0.00 C ATOM 145 C PRO A 10 17.428 3.920 1.675 1.00 0.00 C ATOM 146 O PRO A 10 17.471 3.633 0.495 1.00 0.00 O ATOM 147 CB PRO A 10 16.495 2.261 3.331 1.00 0.00 C ATOM 148 CG PRO A 10 15.881 1.103 2.508 1.00 0.00 C ATOM 149 CD PRO A 10 14.836 1.737 1.569 1.00 0.00 C ATOM 0 HA PRO A 10 16.032 4.402 3.185 1.00 0.00 H new ATOM 0 HB2 PRO A 10 17.566 2.112 3.472 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.047 2.313 4.323 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.650 0.583 1.937 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.417 0.366 3.163 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.967 1.399 0.541 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.821 1.471 1.865 1.00 0.00 H new ATOM 157 N GLU A 11 18.409 4.561 2.250 1.00 0.00 N ATOM 158 CA GLU A 11 19.609 4.953 1.458 1.00 0.00 C ATOM 159 C GLU A 11 20.066 3.769 0.603 1.00 0.00 C ATOM 160 O GLU A 11 20.289 3.899 -0.583 1.00 0.00 O ATOM 161 CB GLU A 11 20.739 5.366 2.406 1.00 0.00 C ATOM 162 CG GLU A 11 20.638 4.570 3.709 1.00 0.00 C ATOM 163 CD GLU A 11 22.021 4.033 4.086 1.00 0.00 C ATOM 164 OE1 GLU A 11 22.436 3.052 3.492 1.00 0.00 O ATOM 165 OE2 GLU A 11 22.641 4.613 4.964 1.00 0.00 O ATOM 0 H GLU A 11 18.431 4.830 3.234 1.00 0.00 H new ATOM 0 HA GLU A 11 19.356 5.793 0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 11 21.705 5.188 1.934 1.00 0.00 H new ATOM 0 HB3 GLU A 11 20.678 6.434 2.616 1.00 0.00 H new ATOM 0 HG2 GLU A 11 20.253 5.205 4.507 1.00 0.00 H new ATOM 0 HG3 GLU A 11 19.935 3.745 3.590 1.00 0.00 H new ATOM 172 N SER A 12 20.210 2.615 1.198 1.00 0.00 N ATOM 173 CA SER A 12 20.653 1.426 0.422 1.00 0.00 C ATOM 174 C SER A 12 19.914 1.380 -0.917 1.00 0.00 C ATOM 175 O SER A 12 20.517 1.416 -1.971 1.00 0.00 O ATOM 176 CB SER A 12 20.346 0.155 1.217 1.00 0.00 C ATOM 177 OG SER A 12 21.498 -0.677 1.233 1.00 0.00 O ATOM 0 H SER A 12 20.039 2.447 2.189 1.00 0.00 H new ATOM 0 HA SER A 12 21.726 1.493 0.240 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.053 0.411 2.235 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.506 -0.375 0.768 1.00 0.00 H new ATOM 0 HG SER A 12 21.306 -1.492 1.743 1.00 0.00 H new ATOM 183 N ILE A 13 18.612 1.302 -0.884 1.00 0.00 N ATOM 184 CA ILE A 13 17.836 1.255 -2.155 1.00 0.00 C ATOM 185 C ILE A 13 17.478 2.678 -2.587 1.00 0.00 C ATOM 186 O ILE A 13 17.014 3.479 -1.798 1.00 0.00 O ATOM 187 CB ILE A 13 16.553 0.450 -1.939 1.00 0.00 C ATOM 188 CG1 ILE A 13 16.911 -1.011 -1.657 1.00 0.00 C ATOM 189 CG2 ILE A 13 15.684 0.526 -3.195 1.00 0.00 C ATOM 190 CD1 ILE A 13 16.514 -1.367 -0.224 1.00 0.00 C ATOM 0 H ILE A 13 18.052 1.269 -0.032 1.00 0.00 H new ATOM 0 HA ILE A 13 18.437 0.780 -2.931 1.00 0.00 H new ATOM 0 HB ILE A 13 16.004 0.862 -1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 13 16.396 -1.665 -2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 13 17.980 -1.168 -1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.770 -0.048 -3.040 1.00 0.00 H new ATOM 0 HG22 ILE A 13 15.429 1.566 -3.399 1.00 0.00 H new ATOM 0 HG23 ILE A 13 16.232 0.114 -4.042 1.00 0.00 H new ATOM 0 HD11 ILE A 13 16.769 -2.408 -0.024 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.049 -0.722 0.473 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.441 -1.226 -0.098 1.00 0.00 H new ATOM 202 N ALA A 14 17.688 3.000 -3.834 1.00 0.00 N ATOM 203 CA ALA A 14 17.359 4.371 -4.315 1.00 0.00 C ATOM 204 C ALA A 14 16.176 4.302 -5.284 1.00 0.00 C ATOM 205 O ALA A 14 16.014 5.146 -6.142 1.00 0.00 O ATOM 206 CB ALA A 14 18.572 4.966 -5.033 1.00 0.00 C ATOM 0 H ALA A 14 18.073 2.373 -4.540 1.00 0.00 H new ATOM 0 HA ALA A 14 17.096 5.000 -3.465 1.00 0.00 H new ATOM 0 HB1 ALA A 14 18.331 5.969 -5.385 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.415 5.016 -4.343 1.00 0.00 H new ATOM 0 HB3 ALA A 14 18.836 4.337 -5.883 1.00 0.00 H new ATOM 212 N ASP A 15 15.348 3.301 -5.154 1.00 0.00 N ATOM 213 CA ASP A 15 14.179 3.179 -6.068 1.00 0.00 C ATOM 214 C ASP A 15 13.416 1.890 -5.752 1.00 0.00 C ATOM 215 O ASP A 15 13.686 1.223 -4.773 1.00 0.00 O ATOM 216 CB ASP A 15 14.666 3.141 -7.518 1.00 0.00 C ATOM 217 CG ASP A 15 16.012 2.418 -7.586 1.00 0.00 C ATOM 218 OD1 ASP A 15 16.016 1.203 -7.480 1.00 0.00 O ATOM 219 OD2 ASP A 15 17.017 3.092 -7.743 1.00 0.00 O ATOM 0 H ASP A 15 15.431 2.563 -4.454 1.00 0.00 H new ATOM 0 HA ASP A 15 13.519 4.035 -5.929 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.935 2.630 -8.145 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.766 4.155 -7.906 1.00 0.00 H new ATOM 224 N GLY A 16 12.467 1.535 -6.573 1.00 0.00 N ATOM 225 CA GLY A 16 11.689 0.290 -6.320 1.00 0.00 C ATOM 226 C GLY A 16 11.035 -0.180 -7.620 1.00 0.00 C ATOM 227 O GLY A 16 11.254 0.384 -8.674 1.00 0.00 O ATOM 0 H GLY A 16 12.196 2.054 -7.409 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.345 -0.488 -5.929 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.926 0.473 -5.563 1.00 0.00 H new ATOM 231 N THR A 17 10.234 -1.207 -7.555 1.00 0.00 N ATOM 232 CA THR A 17 9.566 -1.711 -8.790 1.00 0.00 C ATOM 233 C THR A 17 8.218 -2.334 -8.422 1.00 0.00 C ATOM 234 O THR A 17 8.144 -3.248 -7.625 1.00 0.00 O ATOM 235 CB THR A 17 10.453 -2.767 -9.454 1.00 0.00 C ATOM 236 OG1 THR A 17 11.716 -2.195 -9.764 1.00 0.00 O ATOM 237 CG2 THR A 17 9.786 -3.262 -10.737 1.00 0.00 C ATOM 0 H THR A 17 10.012 -1.719 -6.701 1.00 0.00 H new ATOM 0 HA THR A 17 9.407 -0.884 -9.481 1.00 0.00 H new ATOM 0 HB THR A 17 10.592 -3.606 -8.773 1.00 0.00 H new ATOM 0 HG1 THR A 17 12.286 -2.870 -10.188 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.418 -4.014 -11.209 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.817 -3.701 -10.498 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.646 -2.425 -11.421 1.00 0.00 H new ATOM 245 N VAL A 18 7.153 -1.848 -8.996 1.00 0.00 N ATOM 246 CA VAL A 18 5.812 -2.415 -8.678 1.00 0.00 C ATOM 247 C VAL A 18 5.871 -3.941 -8.763 1.00 0.00 C ATOM 248 O VAL A 18 6.834 -4.508 -9.241 1.00 0.00 O ATOM 249 CB VAL A 18 4.785 -1.887 -9.681 1.00 0.00 C ATOM 250 CG1 VAL A 18 3.386 -2.357 -9.277 1.00 0.00 C ATOM 251 CG2 VAL A 18 4.823 -0.357 -9.692 1.00 0.00 C ATOM 0 H VAL A 18 7.153 -1.083 -9.671 1.00 0.00 H new ATOM 0 HA VAL A 18 5.521 -2.119 -7.670 1.00 0.00 H new ATOM 0 HB VAL A 18 5.023 -2.265 -10.675 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.655 -1.980 -9.992 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.357 -3.447 -9.268 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.148 -1.979 -8.282 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.091 0.020 -10.407 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.586 0.020 -8.697 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.819 -0.020 -9.980 1.00 0.00 H new ATOM 261 N ALA A 19 4.850 -4.611 -8.303 1.00 0.00 N ATOM 262 CA ALA A 19 4.852 -6.100 -8.358 1.00 0.00 C ATOM 263 C ALA A 19 3.808 -6.577 -9.369 1.00 0.00 C ATOM 264 O ALA A 19 4.136 -7.023 -10.451 1.00 0.00 O ATOM 265 CB ALA A 19 4.519 -6.663 -6.974 1.00 0.00 C ATOM 0 H ALA A 19 4.016 -4.192 -7.892 1.00 0.00 H new ATOM 0 HA ALA A 19 5.838 -6.450 -8.664 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.520 -7.752 -7.014 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.265 -6.325 -6.255 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.534 -6.313 -6.666 1.00 0.00 H new ATOM 271 N THR A 20 2.550 -6.492 -9.027 1.00 0.00 N ATOM 272 CA THR A 20 1.491 -6.944 -9.972 1.00 0.00 C ATOM 273 C THR A 20 0.153 -6.311 -9.587 1.00 0.00 C ATOM 274 O THR A 20 -0.217 -6.272 -8.430 1.00 0.00 O ATOM 275 CB THR A 20 1.370 -8.468 -9.908 1.00 0.00 C ATOM 276 OG1 THR A 20 2.539 -9.058 -10.459 1.00 0.00 O ATOM 277 CG2 THR A 20 0.145 -8.919 -10.704 1.00 0.00 C ATOM 0 H THR A 20 2.212 -6.130 -8.136 1.00 0.00 H new ATOM 0 HA THR A 20 1.756 -6.640 -10.985 1.00 0.00 H new ATOM 0 HB THR A 20 1.260 -8.780 -8.869 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.094 -8.363 -10.870 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.060 -10.005 -10.657 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.751 -8.467 -10.280 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.252 -8.608 -11.743 1.00 0.00 H new ATOM 285 N TRP A 21 -0.580 -5.816 -10.548 1.00 0.00 N ATOM 286 CA TRP A 21 -1.889 -5.191 -10.245 1.00 0.00 C ATOM 287 C TRP A 21 -2.988 -6.254 -10.303 1.00 0.00 C ATOM 288 O TRP A 21 -3.656 -6.416 -11.305 1.00 0.00 O ATOM 289 CB TRP A 21 -2.166 -4.111 -11.286 1.00 0.00 C ATOM 290 CG TRP A 21 -1.635 -2.800 -10.803 1.00 0.00 C ATOM 291 CD1 TRP A 21 -0.445 -2.261 -11.160 1.00 0.00 C ATOM 292 CD2 TRP A 21 -2.251 -1.856 -9.882 1.00 0.00 C ATOM 293 NE1 TRP A 21 -0.297 -1.046 -10.515 1.00 0.00 N ATOM 294 CE2 TRP A 21 -1.379 -0.755 -9.721 1.00 0.00 C ATOM 295 CE3 TRP A 21 -3.470 -1.846 -9.180 1.00 0.00 C ATOM 296 CZ2 TRP A 21 -1.699 0.316 -8.895 1.00 0.00 C ATOM 297 CZ3 TRP A 21 -3.800 -0.765 -8.343 1.00 0.00 C ATOM 298 CH2 TRP A 21 -2.914 0.315 -8.201 1.00 0.00 C ATOM 0 H TRP A 21 -0.322 -5.820 -11.535 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.871 -4.751 -9.248 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.698 -4.377 -12.234 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.238 -4.035 -11.470 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.270 -2.706 -11.836 1.00 0.00 H new ATOM 0 HE1 TRP A 21 0.517 -0.440 -10.617 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -4.156 -2.673 -9.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -1.014 1.144 -8.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.738 -0.766 -7.808 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -3.170 1.144 -7.557 1.00 0.00 H new ATOM 309 N HIS A 22 -3.175 -6.985 -9.237 1.00 0.00 N ATOM 310 CA HIS A 22 -4.235 -8.048 -9.238 1.00 0.00 C ATOM 311 C HIS A 22 -5.503 -7.501 -9.894 1.00 0.00 C ATOM 312 O HIS A 22 -5.867 -7.892 -10.986 1.00 0.00 O ATOM 313 CB HIS A 22 -4.565 -8.487 -7.803 1.00 0.00 C ATOM 314 CG HIS A 22 -3.348 -8.341 -6.940 1.00 0.00 C ATOM 315 ND1 HIS A 22 -2.993 -7.126 -6.384 1.00 0.00 N ATOM 316 CD2 HIS A 22 -2.367 -9.227 -6.571 1.00 0.00 C ATOM 317 CE1 HIS A 22 -1.839 -7.304 -5.728 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.412 -8.568 -5.803 1.00 0.00 N ATOM 0 H HIS A 22 -2.647 -6.897 -8.369 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.863 -8.908 -9.795 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.380 -7.882 -7.405 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.905 -9.523 -7.798 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.340 -10.274 -6.836 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.316 -6.520 -5.201 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.569 -8.964 -5.387 1.00 0.00 H new ATOM 326 N LYS A 23 -6.182 -6.601 -9.237 1.00 0.00 N ATOM 327 CA LYS A 23 -7.428 -6.033 -9.823 1.00 0.00 C ATOM 328 C LYS A 23 -7.117 -4.692 -10.490 1.00 0.00 C ATOM 329 O LYS A 23 -5.973 -4.305 -10.627 1.00 0.00 O ATOM 330 CB LYS A 23 -8.462 -5.821 -8.714 1.00 0.00 C ATOM 331 CG LYS A 23 -9.694 -6.684 -8.993 1.00 0.00 C ATOM 332 CD LYS A 23 -9.898 -7.671 -7.841 1.00 0.00 C ATOM 333 CE LYS A 23 -10.928 -8.725 -8.248 1.00 0.00 C ATOM 334 NZ LYS A 23 -12.301 -8.180 -8.052 1.00 0.00 N ATOM 0 H LYS A 23 -5.927 -6.235 -8.320 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.825 -6.724 -10.566 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.033 -6.083 -7.747 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.745 -4.770 -8.663 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.575 -6.053 -9.105 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.568 -7.225 -9.931 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.953 -8.150 -7.587 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.236 -7.142 -6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.783 -9.007 -9.291 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.795 -9.628 -7.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.933 -8.558 -8.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.654 -8.458 -7.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.275 -7.142 -8.118 1.00 0.00 H new ATOM 348 N LYS A 24 -8.128 -3.982 -10.909 1.00 0.00 N ATOM 349 CA LYS A 24 -7.894 -2.666 -11.570 1.00 0.00 C ATOM 350 C LYS A 24 -8.807 -1.610 -10.940 1.00 0.00 C ATOM 351 O LYS A 24 -9.697 -1.936 -10.178 1.00 0.00 O ATOM 352 CB LYS A 24 -8.207 -2.783 -13.062 1.00 0.00 C ATOM 353 CG LYS A 24 -6.901 -2.805 -13.858 1.00 0.00 C ATOM 354 CD LYS A 24 -6.961 -3.916 -14.908 1.00 0.00 C ATOM 355 CE LYS A 24 -5.913 -4.983 -14.584 1.00 0.00 C ATOM 356 NZ LYS A 24 -5.630 -5.786 -15.807 1.00 0.00 N ATOM 0 H LYS A 24 -9.107 -4.256 -10.822 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.852 -2.373 -11.438 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.778 -3.692 -13.254 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.826 -1.944 -13.381 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.741 -1.841 -14.342 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.057 -2.969 -13.188 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.956 -4.362 -14.925 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.780 -3.503 -15.900 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.998 -4.512 -14.225 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.273 -5.631 -13.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.918 -6.512 -15.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.505 -6.246 -16.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.269 -5.162 -16.556 1.00 0.00 H new ATOM 370 N PRO A 25 -8.558 -0.373 -11.283 1.00 0.00 N ATOM 371 CA PRO A 25 -9.342 0.767 -10.773 1.00 0.00 C ATOM 372 C PRO A 25 -10.699 0.840 -11.480 1.00 0.00 C ATOM 373 O PRO A 25 -10.792 0.689 -12.682 1.00 0.00 O ATOM 374 CB PRO A 25 -8.477 1.982 -11.119 1.00 0.00 C ATOM 375 CG PRO A 25 -7.552 1.541 -12.278 1.00 0.00 C ATOM 376 CD PRO A 25 -7.473 0.005 -12.212 1.00 0.00 C ATOM 0 HA PRO A 25 -9.559 0.697 -9.707 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.096 2.828 -11.416 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.893 2.302 -10.256 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.950 1.868 -13.238 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.562 1.985 -12.175 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.616 -0.444 -13.195 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.502 -0.329 -11.847 1.00 0.00 H new ATOM 384 N GLY A 26 -11.750 1.067 -10.741 1.00 0.00 N ATOM 385 CA GLY A 26 -13.099 1.148 -11.369 1.00 0.00 C ATOM 386 C GLY A 26 -13.898 -0.109 -11.021 1.00 0.00 C ATOM 387 O GLY A 26 -14.952 -0.359 -11.572 1.00 0.00 O ATOM 0 H GLY A 26 -11.733 1.200 -9.730 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.624 2.035 -11.016 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.004 1.244 -12.451 1.00 0.00 H new ATOM 391 N GLU A 27 -13.406 -0.903 -10.110 1.00 0.00 N ATOM 392 CA GLU A 27 -14.139 -2.142 -9.727 1.00 0.00 C ATOM 393 C GLU A 27 -14.581 -2.042 -8.265 1.00 0.00 C ATOM 394 O GLU A 27 -14.224 -1.118 -7.561 1.00 0.00 O ATOM 395 CB GLU A 27 -13.216 -3.352 -9.899 1.00 0.00 C ATOM 396 CG GLU A 27 -12.086 -3.284 -8.870 1.00 0.00 C ATOM 397 CD GLU A 27 -12.300 -4.360 -7.803 1.00 0.00 C ATOM 398 OE1 GLU A 27 -13.017 -5.308 -8.082 1.00 0.00 O ATOM 399 OE2 GLU A 27 -11.743 -4.219 -6.727 1.00 0.00 O ATOM 0 H GLU A 27 -12.528 -0.747 -9.615 1.00 0.00 H new ATOM 0 HA GLU A 27 -15.016 -2.258 -10.364 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.782 -4.275 -9.773 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.803 -3.367 -10.908 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.124 -3.430 -9.361 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.061 -2.298 -8.407 1.00 0.00 H new ATOM 406 N ALA A 28 -15.356 -2.985 -7.804 1.00 0.00 N ATOM 407 CA ALA A 28 -15.820 -2.941 -6.388 1.00 0.00 C ATOM 408 C ALA A 28 -14.698 -3.427 -5.468 1.00 0.00 C ATOM 409 O ALA A 28 -13.935 -4.307 -5.816 1.00 0.00 O ATOM 410 CB ALA A 28 -17.041 -3.847 -6.224 1.00 0.00 C ATOM 0 H ALA A 28 -15.688 -3.783 -8.346 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.088 -1.918 -6.125 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -17.381 -3.816 -5.189 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.841 -3.502 -6.879 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.773 -4.870 -6.487 1.00 0.00 H new ATOM 416 N VAL A 29 -14.589 -2.860 -4.298 1.00 0.00 N ATOM 417 CA VAL A 29 -13.515 -3.290 -3.359 1.00 0.00 C ATOM 418 C VAL A 29 -14.131 -3.625 -1.998 1.00 0.00 C ATOM 419 O VAL A 29 -15.254 -3.261 -1.708 1.00 0.00 O ATOM 420 CB VAL A 29 -12.499 -2.159 -3.194 1.00 0.00 C ATOM 421 CG1 VAL A 29 -11.229 -2.704 -2.539 1.00 0.00 C ATOM 422 CG2 VAL A 29 -12.155 -1.579 -4.567 1.00 0.00 C ATOM 0 H VAL A 29 -15.197 -2.118 -3.952 1.00 0.00 H new ATOM 0 HA VAL A 29 -13.015 -4.172 -3.759 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.925 -1.378 -2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.505 -1.897 -2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.473 -3.118 -1.561 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.802 -3.486 -3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.431 -0.773 -4.450 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -11.729 -2.361 -5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.059 -1.190 -5.034 1.00 0.00 H new ATOM 432 N LYS A 30 -13.405 -4.315 -1.161 1.00 0.00 N ATOM 433 CA LYS A 30 -13.950 -4.672 0.178 1.00 0.00 C ATOM 434 C LYS A 30 -12.794 -4.938 1.145 1.00 0.00 C ATOM 435 O LYS A 30 -11.785 -5.509 0.777 1.00 0.00 O ATOM 436 CB LYS A 30 -14.816 -5.927 0.059 1.00 0.00 C ATOM 437 CG LYS A 30 -16.151 -5.696 0.771 1.00 0.00 C ATOM 438 CD LYS A 30 -16.934 -7.010 0.829 1.00 0.00 C ATOM 439 CE LYS A 30 -18.251 -6.787 1.575 1.00 0.00 C ATOM 440 NZ LYS A 30 -18.768 -5.422 1.272 1.00 0.00 N ATOM 0 H LYS A 30 -12.458 -4.646 -1.347 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.556 -3.848 0.555 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.988 -6.165 -0.991 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.300 -6.781 0.499 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.977 -5.319 1.779 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.730 -4.938 0.243 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -17.132 -7.372 -0.180 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.344 -7.776 1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -18.982 -7.539 1.277 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.097 -6.899 2.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -19.778 -5.372 1.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -18.243 -4.720 1.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.644 -5.221 0.259 1.00 0.00 H new ATOM 454 N ARG A 31 -12.931 -4.528 2.376 1.00 0.00 N ATOM 455 CA ARG A 31 -11.842 -4.755 3.366 1.00 0.00 C ATOM 456 C ARG A 31 -11.286 -6.171 3.206 1.00 0.00 C ATOM 457 O ARG A 31 -12.007 -7.101 2.904 1.00 0.00 O ATOM 458 CB ARG A 31 -12.399 -4.583 4.782 1.00 0.00 C ATOM 459 CG ARG A 31 -11.372 -5.085 5.798 1.00 0.00 C ATOM 460 CD ARG A 31 -11.843 -6.417 6.387 1.00 0.00 C ATOM 461 NE ARG A 31 -12.456 -6.180 7.724 1.00 0.00 N ATOM 462 CZ ARG A 31 -12.913 -7.184 8.419 1.00 0.00 C ATOM 463 NH1 ARG A 31 -12.107 -8.139 8.796 1.00 0.00 N ATOM 464 NH2 ARG A 31 -14.178 -7.235 8.738 1.00 0.00 N ATOM 0 H ARG A 31 -13.752 -4.044 2.739 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.043 -4.033 3.196 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.629 -3.534 4.969 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.332 -5.137 4.887 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.402 -5.211 5.318 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.242 -4.350 6.592 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -12.567 -6.885 5.721 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.002 -7.105 6.477 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.518 -5.232 8.096 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.119 -8.100 8.547 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.466 -8.924 9.340 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -14.809 -6.489 8.443 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -14.536 -8.020 9.282 1.00 0.00 H new ATOM 478 N ASP A 32 -10.008 -6.342 3.406 1.00 0.00 N ATOM 479 CA ASP A 32 -9.406 -7.698 3.265 1.00 0.00 C ATOM 480 C ASP A 32 -9.355 -8.083 1.784 1.00 0.00 C ATOM 481 O ASP A 32 -9.729 -9.176 1.404 1.00 0.00 O ATOM 482 CB ASP A 32 -10.258 -8.715 4.027 1.00 0.00 C ATOM 483 CG ASP A 32 -9.410 -9.944 4.358 1.00 0.00 C ATOM 484 OD1 ASP A 32 -8.477 -10.214 3.619 1.00 0.00 O ATOM 485 OD2 ASP A 32 -9.707 -10.596 5.347 1.00 0.00 O ATOM 0 H ASP A 32 -9.355 -5.601 3.661 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.395 -7.691 3.673 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.644 -8.268 4.943 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.120 -9.006 3.427 1.00 0.00 H new ATOM 490 N GLU A 33 -8.897 -7.195 0.946 1.00 0.00 N ATOM 491 CA GLU A 33 -8.822 -7.512 -0.509 1.00 0.00 C ATOM 492 C GLU A 33 -7.551 -6.902 -1.101 1.00 0.00 C ATOM 493 O GLU A 33 -7.489 -5.721 -1.378 1.00 0.00 O ATOM 494 CB GLU A 33 -10.046 -6.930 -1.220 1.00 0.00 C ATOM 495 CG GLU A 33 -10.241 -7.637 -2.562 1.00 0.00 C ATOM 496 CD GLU A 33 -11.327 -8.707 -2.422 1.00 0.00 C ATOM 497 OE1 GLU A 33 -12.032 -8.681 -1.427 1.00 0.00 O ATOM 498 OE2 GLU A 33 -11.433 -9.534 -3.313 1.00 0.00 O ATOM 0 H GLU A 33 -8.571 -6.264 1.205 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.801 -8.593 -0.644 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.933 -7.054 -0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.914 -5.859 -1.377 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.524 -6.915 -3.328 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.305 -8.093 -2.884 1.00 0.00 H new ATOM 505 N LEU A 34 -6.534 -7.699 -1.295 1.00 0.00 N ATOM 506 CA LEU A 34 -5.268 -7.168 -1.867 1.00 0.00 C ATOM 507 C LEU A 34 -5.588 -6.226 -3.031 1.00 0.00 C ATOM 508 O LEU A 34 -6.551 -6.417 -3.747 1.00 0.00 O ATOM 509 CB LEU A 34 -4.412 -8.332 -2.370 1.00 0.00 C ATOM 510 CG LEU A 34 -3.063 -7.803 -2.858 1.00 0.00 C ATOM 511 CD1 LEU A 34 -2.376 -7.033 -1.730 1.00 0.00 C ATOM 512 CD2 LEU A 34 -2.180 -8.979 -3.281 1.00 0.00 C ATOM 0 H LEU A 34 -6.528 -8.696 -1.081 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.722 -6.620 -1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.262 -9.058 -1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.925 -8.851 -3.180 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.220 -7.138 -3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.415 -6.657 -2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.004 -6.196 -1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.219 -7.697 -0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.218 -8.604 -3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.025 -9.642 -2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.668 -9.529 -4.085 1.00 0.00 H new ATOM 524 N ILE A 35 -4.791 -5.211 -3.224 1.00 0.00 N ATOM 525 CA ILE A 35 -5.057 -4.260 -4.340 1.00 0.00 C ATOM 526 C ILE A 35 -3.846 -4.211 -5.274 1.00 0.00 C ATOM 527 O ILE A 35 -3.980 -4.243 -6.481 1.00 0.00 O ATOM 528 CB ILE A 35 -5.318 -2.865 -3.770 1.00 0.00 C ATOM 529 CG1 ILE A 35 -6.660 -2.858 -3.036 1.00 0.00 C ATOM 530 CG2 ILE A 35 -5.356 -1.846 -4.910 1.00 0.00 C ATOM 531 CD1 ILE A 35 -6.945 -1.452 -2.505 1.00 0.00 C ATOM 0 H ILE A 35 -3.969 -4.999 -2.659 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.931 -4.595 -4.899 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.521 -2.602 -3.075 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.457 -3.172 -3.710 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.640 -3.572 -2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.542 -0.852 -4.503 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.400 -1.851 -5.434 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.153 -2.108 -5.606 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.901 -1.447 -1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.154 -1.156 -1.817 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.983 -0.750 -3.338 1.00 0.00 H new ATOM 543 N VAL A 36 -2.664 -4.134 -4.727 1.00 0.00 N ATOM 544 CA VAL A 36 -1.449 -4.082 -5.588 1.00 0.00 C ATOM 545 C VAL A 36 -0.223 -4.489 -4.769 1.00 0.00 C ATOM 546 O VAL A 36 -0.076 -4.113 -3.623 1.00 0.00 O ATOM 547 CB VAL A 36 -1.260 -2.659 -6.119 1.00 0.00 C ATOM 548 CG1 VAL A 36 -1.002 -1.707 -4.951 1.00 0.00 C ATOM 549 CG2 VAL A 36 -0.065 -2.628 -7.075 1.00 0.00 C ATOM 0 H VAL A 36 -2.487 -4.105 -3.723 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.569 -4.769 -6.426 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.160 -2.347 -6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.868 -0.694 -5.330 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.852 -1.729 -4.269 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.102 -2.018 -4.420 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.071 -1.615 -7.454 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.834 -2.941 -6.544 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.248 -3.306 -7.909 1.00 0.00 H new ATOM 559 N ASP A 37 0.660 -5.256 -5.349 1.00 0.00 N ATOM 560 CA ASP A 37 1.876 -5.687 -4.604 1.00 0.00 C ATOM 561 C ASP A 37 3.058 -4.800 -5.000 1.00 0.00 C ATOM 562 O ASP A 37 2.990 -4.047 -5.950 1.00 0.00 O ATOM 563 CB ASP A 37 2.194 -7.144 -4.949 1.00 0.00 C ATOM 564 CG ASP A 37 1.439 -8.071 -3.995 1.00 0.00 C ATOM 565 OD1 ASP A 37 1.215 -7.672 -2.865 1.00 0.00 O ATOM 566 OD2 ASP A 37 1.096 -9.166 -4.411 1.00 0.00 O ATOM 0 H ASP A 37 0.591 -5.602 -6.306 1.00 0.00 H new ATOM 0 HA ASP A 37 1.697 -5.597 -3.533 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.909 -7.355 -5.980 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.267 -7.321 -4.872 1.00 0.00 H new ATOM 571 N ILE A 38 4.142 -4.884 -4.278 1.00 0.00 N ATOM 572 CA ILE A 38 5.328 -4.046 -4.614 1.00 0.00 C ATOM 573 C ILE A 38 6.595 -4.899 -4.530 1.00 0.00 C ATOM 574 O ILE A 38 6.605 -5.953 -3.926 1.00 0.00 O ATOM 575 CB ILE A 38 5.428 -2.885 -3.622 1.00 0.00 C ATOM 576 CG1 ILE A 38 4.074 -2.178 -3.527 1.00 0.00 C ATOM 577 CG2 ILE A 38 6.486 -1.891 -4.105 1.00 0.00 C ATOM 578 CD1 ILE A 38 3.946 -1.503 -2.160 1.00 0.00 C ATOM 0 H ILE A 38 4.258 -5.496 -3.470 1.00 0.00 H new ATOM 0 HA ILE A 38 5.221 -3.653 -5.625 1.00 0.00 H new ATOM 0 HB ILE A 38 5.709 -3.269 -2.641 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.982 -1.436 -4.321 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.266 -2.896 -3.667 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.558 -1.064 -3.399 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.451 -2.393 -4.175 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.204 -1.507 -5.086 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.982 -0.999 -2.092 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.019 -2.255 -1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.746 -0.773 -2.038 1.00 0.00 H new ATOM 590 N GLU A 39 7.664 -4.453 -5.130 1.00 0.00 N ATOM 591 CA GLU A 39 8.928 -5.241 -5.084 1.00 0.00 C ATOM 592 C GLU A 39 10.120 -4.288 -4.978 1.00 0.00 C ATOM 593 O GLU A 39 9.993 -3.095 -5.169 1.00 0.00 O ATOM 594 CB GLU A 39 9.056 -6.078 -6.358 1.00 0.00 C ATOM 595 CG GLU A 39 9.547 -7.482 -6.000 1.00 0.00 C ATOM 596 CD GLU A 39 10.112 -8.159 -7.249 1.00 0.00 C ATOM 597 OE1 GLU A 39 11.259 -7.900 -7.572 1.00 0.00 O ATOM 598 OE2 GLU A 39 9.387 -8.926 -7.863 1.00 0.00 O ATOM 0 H GLU A 39 7.717 -3.577 -5.650 1.00 0.00 H new ATOM 0 HA GLU A 39 8.912 -5.901 -4.217 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.093 -6.137 -6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.752 -5.603 -7.049 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.313 -7.425 -5.227 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.727 -8.073 -5.593 1.00 0.00 H new ATOM 605 N THR A 40 11.279 -4.806 -4.674 1.00 0.00 N ATOM 606 CA THR A 40 12.478 -3.930 -4.556 1.00 0.00 C ATOM 607 C THR A 40 13.744 -4.775 -4.713 1.00 0.00 C ATOM 608 O THR A 40 13.692 -5.989 -4.741 1.00 0.00 O ATOM 609 CB THR A 40 12.484 -3.253 -3.184 1.00 0.00 C ATOM 610 OG1 THR A 40 11.188 -2.740 -2.905 1.00 0.00 O ATOM 611 CG2 THR A 40 13.501 -2.111 -3.180 1.00 0.00 C ATOM 0 H THR A 40 11.447 -5.797 -4.502 1.00 0.00 H new ATOM 0 HA THR A 40 12.449 -3.169 -5.336 1.00 0.00 H new ATOM 0 HB THR A 40 12.758 -3.981 -2.420 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.620 -3.458 -2.555 1.00 0.00 H new ATOM 0 HG21 THR A 40 13.504 -1.630 -2.202 1.00 0.00 H new ATOM 0 HG22 THR A 40 14.494 -2.507 -3.392 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.231 -1.381 -3.943 1.00 0.00 H new ATOM 619 N ASP A 41 14.882 -4.143 -4.818 1.00 0.00 N ATOM 620 CA ASP A 41 16.150 -4.906 -4.975 1.00 0.00 C ATOM 621 C ASP A 41 16.151 -6.103 -4.022 1.00 0.00 C ATOM 622 O ASP A 41 16.575 -7.187 -4.371 1.00 0.00 O ATOM 623 CB ASP A 41 17.337 -3.996 -4.650 1.00 0.00 C ATOM 624 CG ASP A 41 18.545 -4.411 -5.491 1.00 0.00 C ATOM 625 OD1 ASP A 41 18.515 -5.501 -6.038 1.00 0.00 O ATOM 626 OD2 ASP A 41 19.480 -3.632 -5.575 1.00 0.00 O ATOM 0 H ASP A 41 14.987 -3.129 -4.802 1.00 0.00 H new ATOM 0 HA ASP A 41 16.233 -5.261 -6.002 1.00 0.00 H new ATOM 0 HB2 ASP A 41 17.078 -2.957 -4.854 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.579 -4.062 -3.589 1.00 0.00 H new ATOM 631 N LYS A 42 15.678 -5.916 -2.820 1.00 0.00 N ATOM 632 CA LYS A 42 15.652 -7.045 -1.846 1.00 0.00 C ATOM 633 C LYS A 42 14.574 -6.783 -0.792 1.00 0.00 C ATOM 634 O LYS A 42 14.651 -7.265 0.320 1.00 0.00 O ATOM 635 CB LYS A 42 17.016 -7.161 -1.164 1.00 0.00 C ATOM 636 CG LYS A 42 17.926 -8.071 -1.991 1.00 0.00 C ATOM 637 CD LYS A 42 19.211 -8.354 -1.210 1.00 0.00 C ATOM 638 CE LYS A 42 19.215 -9.810 -0.742 1.00 0.00 C ATOM 639 NZ LYS A 42 17.924 -10.116 -0.061 1.00 0.00 N ATOM 0 H LYS A 42 15.309 -5.032 -2.470 1.00 0.00 H new ATOM 0 HA LYS A 42 15.429 -7.974 -2.371 1.00 0.00 H new ATOM 0 HB2 LYS A 42 17.468 -6.174 -1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 42 16.898 -7.564 -0.158 1.00 0.00 H new ATOM 0 HG2 LYS A 42 17.413 -9.005 -2.219 1.00 0.00 H new ATOM 0 HG3 LYS A 42 18.164 -7.597 -2.943 1.00 0.00 H new ATOM 0 HD2 LYS A 42 20.081 -8.161 -1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 42 19.282 -7.685 -0.352 1.00 0.00 H new ATOM 0 HE2 LYS A 42 19.357 -10.476 -1.593 1.00 0.00 H new ATOM 0 HE3 LYS A 42 20.048 -9.982 -0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 18.035 -10.966 0.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 17.649 -9.312 0.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 17.186 -10.284 -0.775 1.00 0.00 H new ATOM 653 N VAL A 43 13.570 -6.023 -1.134 1.00 0.00 N ATOM 654 CA VAL A 43 12.488 -5.732 -0.150 1.00 0.00 C ATOM 655 C VAL A 43 11.135 -5.745 -0.862 1.00 0.00 C ATOM 656 O VAL A 43 10.791 -4.826 -1.579 1.00 0.00 O ATOM 657 CB VAL A 43 12.723 -4.355 0.474 1.00 0.00 C ATOM 658 CG1 VAL A 43 11.542 -3.996 1.377 1.00 0.00 C ATOM 659 CG2 VAL A 43 14.008 -4.386 1.304 1.00 0.00 C ATOM 0 H VAL A 43 13.452 -5.591 -2.051 1.00 0.00 H new ATOM 0 HA VAL A 43 12.494 -6.491 0.632 1.00 0.00 H new ATOM 0 HB VAL A 43 12.817 -3.609 -0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.709 -3.015 1.822 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.626 -3.976 0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 43 11.448 -4.741 2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 43 14.177 -3.406 1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 43 13.913 -5.132 2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.850 -4.643 0.661 1.00 0.00 H new ATOM 669 N VAL A 44 10.362 -6.779 -0.671 1.00 0.00 N ATOM 670 CA VAL A 44 9.032 -6.848 -1.337 1.00 0.00 C ATOM 671 C VAL A 44 7.953 -6.338 -0.379 1.00 0.00 C ATOM 672 O VAL A 44 7.973 -6.623 0.801 1.00 0.00 O ATOM 673 CB VAL A 44 8.728 -8.299 -1.719 1.00 0.00 C ATOM 674 CG1 VAL A 44 8.897 -9.196 -0.491 1.00 0.00 C ATOM 675 CG2 VAL A 44 7.289 -8.400 -2.230 1.00 0.00 C ATOM 0 H VAL A 44 10.595 -7.579 -0.082 1.00 0.00 H new ATOM 0 HA VAL A 44 9.043 -6.229 -2.234 1.00 0.00 H new ATOM 0 HB VAL A 44 9.416 -8.621 -2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.681 -10.229 -0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.921 -9.124 -0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.209 -8.875 0.291 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.071 -9.433 -2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.602 -8.078 -1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.168 -7.761 -3.105 1.00 0.00 H new ATOM 685 N MET A 45 7.012 -5.584 -0.878 1.00 0.00 N ATOM 686 CA MET A 45 5.935 -5.057 0.005 1.00 0.00 C ATOM 687 C MET A 45 4.570 -5.388 -0.602 1.00 0.00 C ATOM 688 O MET A 45 4.464 -6.175 -1.523 1.00 0.00 O ATOM 689 CB MET A 45 6.079 -3.538 0.135 1.00 0.00 C ATOM 690 CG MET A 45 7.312 -3.213 0.980 1.00 0.00 C ATOM 691 SD MET A 45 6.887 -3.331 2.737 1.00 0.00 S ATOM 692 CE MET A 45 8.212 -4.467 3.215 1.00 0.00 C ATOM 0 H MET A 45 6.943 -5.311 -1.858 1.00 0.00 H new ATOM 0 HA MET A 45 6.016 -5.516 0.990 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.172 -3.085 -0.852 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.187 -3.116 0.597 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.121 -3.904 0.743 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.671 -2.210 0.748 1.00 0.00 H new ATOM 0 HE1 MET A 45 8.419 -4.357 4.280 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.904 -5.492 3.009 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.112 -4.237 2.645 1.00 0.00 H new ATOM 702 N GLU A 46 3.523 -4.798 -0.094 1.00 0.00 N ATOM 703 CA GLU A 46 2.168 -5.081 -0.643 1.00 0.00 C ATOM 704 C GLU A 46 1.223 -3.931 -0.288 1.00 0.00 C ATOM 705 O GLU A 46 1.531 -3.093 0.536 1.00 0.00 O ATOM 706 CB GLU A 46 1.636 -6.382 -0.041 1.00 0.00 C ATOM 707 CG GLU A 46 1.455 -6.211 1.469 1.00 0.00 C ATOM 708 CD GLU A 46 1.110 -7.562 2.098 1.00 0.00 C ATOM 709 OE1 GLU A 46 1.139 -8.551 1.385 1.00 0.00 O ATOM 710 OE2 GLU A 46 0.824 -7.585 3.284 1.00 0.00 O ATOM 0 H GLU A 46 3.548 -4.132 0.678 1.00 0.00 H new ATOM 0 HA GLU A 46 2.229 -5.180 -1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.685 -6.647 -0.504 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.328 -7.199 -0.245 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.368 -5.814 1.913 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.663 -5.491 1.672 1.00 0.00 H new ATOM 717 N VAL A 47 0.073 -3.885 -0.902 1.00 0.00 N ATOM 718 CA VAL A 47 -0.891 -2.789 -0.599 1.00 0.00 C ATOM 719 C VAL A 47 -2.306 -3.366 -0.515 1.00 0.00 C ATOM 720 O VAL A 47 -2.925 -3.669 -1.515 1.00 0.00 O ATOM 721 CB VAL A 47 -0.834 -1.739 -1.710 1.00 0.00 C ATOM 722 CG1 VAL A 47 -1.930 -0.695 -1.483 1.00 0.00 C ATOM 723 CG2 VAL A 47 0.534 -1.052 -1.690 1.00 0.00 C ATOM 0 H VAL A 47 -0.241 -4.559 -1.600 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.629 -2.326 0.352 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.986 -2.222 -2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.889 0.053 -2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.905 -1.183 -1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.777 -0.211 -0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.577 -0.303 -2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.684 -0.569 -0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.316 -1.794 -1.850 1.00 0.00 H new ATOM 733 N LEU A 48 -2.823 -3.518 0.674 1.00 0.00 N ATOM 734 CA LEU A 48 -4.197 -4.075 0.823 1.00 0.00 C ATOM 735 C LEU A 48 -5.201 -2.927 0.956 1.00 0.00 C ATOM 736 O LEU A 48 -4.831 -1.778 1.093 1.00 0.00 O ATOM 737 CB LEU A 48 -4.259 -4.952 2.075 1.00 0.00 C ATOM 738 CG LEU A 48 -4.527 -6.403 1.669 1.00 0.00 C ATOM 739 CD1 LEU A 48 -3.830 -7.345 2.653 1.00 0.00 C ATOM 740 CD2 LEU A 48 -6.034 -6.668 1.692 1.00 0.00 C ATOM 0 H LEU A 48 -2.353 -3.281 1.548 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.443 -4.674 -0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.321 -4.885 2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.046 -4.598 2.741 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.142 -6.576 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.021 -8.379 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.757 -7.156 2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.216 -7.172 3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.226 -7.701 1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.419 -6.495 2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.532 -5.997 0.992 1.00 0.00 H new ATOM 752 N ALA A 49 -6.470 -3.229 0.915 1.00 0.00 N ATOM 753 CA ALA A 49 -7.495 -2.155 1.038 1.00 0.00 C ATOM 754 C ALA A 49 -7.761 -1.872 2.518 1.00 0.00 C ATOM 755 O ALA A 49 -7.828 -2.772 3.330 1.00 0.00 O ATOM 756 CB ALA A 49 -8.793 -2.609 0.365 1.00 0.00 C ATOM 0 H ALA A 49 -6.841 -4.172 0.802 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.132 -1.249 0.553 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.543 -1.824 0.455 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.605 -2.812 -0.689 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.157 -3.515 0.850 1.00 0.00 H new ATOM 762 N GLU A 50 -7.913 -0.625 2.875 1.00 0.00 N ATOM 763 CA GLU A 50 -8.174 -0.285 4.301 1.00 0.00 C ATOM 764 C GLU A 50 -9.668 -0.020 4.499 1.00 0.00 C ATOM 765 O GLU A 50 -10.097 0.418 5.549 1.00 0.00 O ATOM 766 CB GLU A 50 -7.380 0.966 4.681 1.00 0.00 C ATOM 767 CG GLU A 50 -6.343 0.610 5.746 1.00 0.00 C ATOM 768 CD GLU A 50 -7.055 0.202 7.037 1.00 0.00 C ATOM 769 OE1 GLU A 50 -7.880 0.971 7.502 1.00 0.00 O ATOM 770 OE2 GLU A 50 -6.763 -0.871 7.537 1.00 0.00 O ATOM 0 H GLU A 50 -7.868 0.172 2.240 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.866 -1.117 4.934 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.886 1.377 3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.053 1.736 5.057 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.710 -0.205 5.394 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.690 1.463 5.932 1.00 0.00 H new ATOM 777 N ALA A 51 -10.466 -0.280 3.499 1.00 0.00 N ATOM 778 CA ALA A 51 -11.930 -0.042 3.633 1.00 0.00 C ATOM 779 C ALA A 51 -12.585 -0.100 2.252 1.00 0.00 C ATOM 780 O ALA A 51 -12.021 0.338 1.268 1.00 0.00 O ATOM 781 CB ALA A 51 -12.169 1.336 4.253 1.00 0.00 C ATOM 0 H ALA A 51 -10.167 -0.647 2.596 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.365 -0.809 4.274 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.241 1.510 4.351 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -11.703 1.378 5.238 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.734 2.103 3.613 1.00 0.00 H new ATOM 787 N ASP A 52 -13.771 -0.638 2.168 1.00 0.00 N ATOM 788 CA ASP A 52 -14.460 -0.725 0.850 1.00 0.00 C ATOM 789 C ASP A 52 -14.535 0.672 0.227 1.00 0.00 C ATOM 790 O ASP A 52 -14.228 1.665 0.854 1.00 0.00 O ATOM 791 CB ASP A 52 -15.869 -1.311 1.052 1.00 0.00 C ATOM 792 CG ASP A 52 -16.852 -0.770 0.007 1.00 0.00 C ATOM 793 OD1 ASP A 52 -17.390 0.302 0.227 1.00 0.00 O ATOM 794 OD2 ASP A 52 -17.047 -1.437 -0.996 1.00 0.00 O ATOM 0 H ASP A 52 -14.293 -1.021 2.956 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.905 -1.378 0.176 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.826 -2.398 0.986 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.227 -1.067 2.052 1.00 0.00 H new ATOM 799 N GLY A 53 -14.946 0.747 -1.007 1.00 0.00 N ATOM 800 CA GLY A 53 -15.048 2.070 -1.683 1.00 0.00 C ATOM 801 C GLY A 53 -14.857 1.890 -3.191 1.00 0.00 C ATOM 802 O GLY A 53 -15.244 0.888 -3.759 1.00 0.00 O ATOM 0 H GLY A 53 -15.217 -0.053 -1.579 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.020 2.520 -1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.293 2.751 -1.289 1.00 0.00 H new ATOM 806 N VAL A 54 -14.262 2.851 -3.842 1.00 0.00 N ATOM 807 CA VAL A 54 -14.046 2.733 -5.311 1.00 0.00 C ATOM 808 C VAL A 54 -12.626 3.183 -5.656 1.00 0.00 C ATOM 809 O VAL A 54 -12.217 4.282 -5.336 1.00 0.00 O ATOM 810 CB VAL A 54 -15.055 3.617 -6.047 1.00 0.00 C ATOM 811 CG1 VAL A 54 -14.657 3.732 -7.519 1.00 0.00 C ATOM 812 CG2 VAL A 54 -16.448 2.990 -5.946 1.00 0.00 C ATOM 0 H VAL A 54 -13.916 3.713 -3.420 1.00 0.00 H new ATOM 0 HA VAL A 54 -14.182 1.695 -5.616 1.00 0.00 H new ATOM 0 HB VAL A 54 -15.066 4.609 -5.595 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.376 4.362 -8.042 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.664 4.176 -7.594 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.646 2.740 -7.972 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -17.169 3.618 -6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -16.434 1.999 -6.399 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -16.734 2.906 -4.898 1.00 0.00 H new ATOM 822 N ILE A 55 -11.870 2.342 -6.307 1.00 0.00 N ATOM 823 CA ILE A 55 -10.476 2.720 -6.671 1.00 0.00 C ATOM 824 C ILE A 55 -10.500 3.945 -7.589 1.00 0.00 C ATOM 825 O ILE A 55 -11.494 4.236 -8.225 1.00 0.00 O ATOM 826 CB ILE A 55 -9.804 1.553 -7.390 1.00 0.00 C ATOM 827 CG1 ILE A 55 -9.529 0.438 -6.376 1.00 0.00 C ATOM 828 CG2 ILE A 55 -8.489 2.031 -8.013 1.00 0.00 C ATOM 829 CD1 ILE A 55 -8.490 -0.531 -6.940 1.00 0.00 C ATOM 0 H ILE A 55 -12.158 1.409 -6.602 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.916 2.959 -5.767 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.454 1.174 -8.179 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.170 0.866 -5.440 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -10.452 -0.096 -6.149 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.007 1.200 -8.527 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.693 2.829 -8.726 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.830 2.404 -7.229 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.298 -1.322 -6.215 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.866 -0.970 -7.864 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.564 0.007 -7.144 1.00 0.00 H new ATOM 841 N ALA A 56 -9.414 4.664 -7.664 1.00 0.00 N ATOM 842 CA ALA A 56 -9.377 5.867 -8.542 1.00 0.00 C ATOM 843 C ALA A 56 -8.771 5.494 -9.896 1.00 0.00 C ATOM 844 O ALA A 56 -9.449 5.466 -10.904 1.00 0.00 O ATOM 845 CB ALA A 56 -8.522 6.953 -7.883 1.00 0.00 C ATOM 0 H ALA A 56 -8.551 4.471 -7.156 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.391 6.240 -8.689 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.494 7.834 -8.525 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.953 7.220 -6.918 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.509 6.579 -7.736 1.00 0.00 H new ATOM 851 N GLU A 57 -7.498 5.206 -9.928 1.00 0.00 N ATOM 852 CA GLU A 57 -6.851 4.835 -11.218 1.00 0.00 C ATOM 853 C GLU A 57 -5.373 4.523 -10.976 1.00 0.00 C ATOM 854 O GLU A 57 -4.766 5.026 -10.051 1.00 0.00 O ATOM 855 CB GLU A 57 -6.972 6.000 -12.203 1.00 0.00 C ATOM 856 CG GLU A 57 -7.629 5.509 -13.495 1.00 0.00 C ATOM 857 CD GLU A 57 -9.103 5.920 -13.505 1.00 0.00 C ATOM 858 OE1 GLU A 57 -9.387 7.046 -13.130 1.00 0.00 O ATOM 859 OE2 GLU A 57 -9.923 5.102 -13.889 1.00 0.00 O ATOM 0 H GLU A 57 -6.879 5.212 -9.117 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.345 3.956 -11.633 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.565 6.802 -11.763 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.986 6.413 -12.418 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.117 5.931 -14.359 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.542 4.425 -13.571 1.00 0.00 H new ATOM 866 N ILE A 58 -4.788 3.696 -11.799 1.00 0.00 N ATOM 867 CA ILE A 58 -3.349 3.353 -11.615 1.00 0.00 C ATOM 868 C ILE A 58 -2.486 4.344 -12.398 1.00 0.00 C ATOM 869 O ILE A 58 -2.823 4.746 -13.494 1.00 0.00 O ATOM 870 CB ILE A 58 -3.091 1.936 -12.130 1.00 0.00 C ATOM 871 CG1 ILE A 58 -4.043 0.959 -11.436 1.00 0.00 C ATOM 872 CG2 ILE A 58 -1.645 1.538 -11.829 1.00 0.00 C ATOM 873 CD1 ILE A 58 -4.230 -0.281 -12.312 1.00 0.00 C ATOM 0 H ILE A 58 -5.244 3.243 -12.591 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.096 3.406 -10.556 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.260 1.906 -13.206 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.642 0.673 -10.464 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.005 1.438 -11.256 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.462 0.528 -12.196 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.966 2.233 -12.323 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.476 1.569 -10.753 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.908 -0.977 -11.818 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.650 0.013 -13.274 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.266 -0.764 -12.469 1.00 0.00 H new ATOM 885 N VAL A 59 -1.372 4.741 -11.846 1.00 0.00 N ATOM 886 CA VAL A 59 -0.489 5.706 -12.560 1.00 0.00 C ATOM 887 C VAL A 59 0.520 4.936 -13.414 1.00 0.00 C ATOM 888 O VAL A 59 0.487 4.987 -14.627 1.00 0.00 O ATOM 889 CB VAL A 59 0.258 6.566 -11.538 1.00 0.00 C ATOM 890 CG1 VAL A 59 1.138 7.581 -12.271 1.00 0.00 C ATOM 891 CG2 VAL A 59 -0.753 7.307 -10.661 1.00 0.00 C ATOM 0 H VAL A 59 -1.035 4.439 -10.932 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.094 6.347 -13.201 1.00 0.00 H new ATOM 0 HB VAL A 59 0.883 5.928 -10.913 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.670 8.194 -11.543 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.858 7.054 -12.897 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.514 8.220 -12.896 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.222 7.920 -9.932 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.378 7.945 -11.286 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.380 6.584 -10.139 1.00 0.00 H new ATOM 901 N LYS A 60 1.416 4.222 -12.791 1.00 0.00 N ATOM 902 CA LYS A 60 2.426 3.450 -13.567 1.00 0.00 C ATOM 903 C LYS A 60 1.912 2.026 -13.798 1.00 0.00 C ATOM 904 O LYS A 60 0.786 1.703 -13.475 1.00 0.00 O ATOM 905 CB LYS A 60 3.740 3.396 -12.785 1.00 0.00 C ATOM 906 CG LYS A 60 4.905 3.732 -13.719 1.00 0.00 C ATOM 907 CD LYS A 60 5.889 4.653 -12.995 1.00 0.00 C ATOM 908 CE LYS A 60 5.934 6.009 -13.701 1.00 0.00 C ATOM 909 NZ LYS A 60 5.181 7.012 -12.897 1.00 0.00 N ATOM 0 H LYS A 60 1.492 4.140 -11.777 1.00 0.00 H new ATOM 0 HA LYS A 60 2.595 3.937 -14.527 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.711 4.102 -11.955 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.879 2.404 -12.355 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.409 2.818 -14.033 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.533 4.217 -14.622 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.585 4.782 -11.956 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.882 4.204 -12.983 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.968 6.331 -13.828 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.501 5.927 -14.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.211 7.934 -13.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.192 6.706 -12.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.613 7.097 -11.955 1.00 0.00 H new ATOM 923 N ASN A 61 2.728 1.174 -14.354 1.00 0.00 N ATOM 924 CA ASN A 61 2.283 -0.226 -14.604 1.00 0.00 C ATOM 925 C ASN A 61 3.038 -1.175 -13.670 1.00 0.00 C ATOM 926 O ASN A 61 4.121 -0.876 -13.208 1.00 0.00 O ATOM 927 CB ASN A 61 2.576 -0.603 -16.058 1.00 0.00 C ATOM 928 CG ASN A 61 1.677 0.214 -16.989 1.00 0.00 C ATOM 929 OD1 ASN A 61 0.490 -0.028 -17.071 1.00 0.00 O ATOM 930 ND2 ASN A 61 2.198 1.177 -17.697 1.00 0.00 N ATOM 0 H ASN A 61 3.682 1.386 -14.646 1.00 0.00 H new ATOM 0 HA ASN A 61 1.212 -0.306 -14.417 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.624 -0.414 -16.289 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.403 -1.668 -16.210 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.608 1.728 -18.321 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.195 1.379 -17.627 1.00 0.00 H new ATOM 937 N GLU A 62 2.474 -2.317 -13.388 1.00 0.00 N ATOM 938 CA GLU A 62 3.160 -3.283 -12.484 1.00 0.00 C ATOM 939 C GLU A 62 4.390 -3.856 -13.190 1.00 0.00 C ATOM 940 O GLU A 62 4.449 -3.922 -14.402 1.00 0.00 O ATOM 941 CB GLU A 62 2.199 -4.420 -12.129 1.00 0.00 C ATOM 942 CG GLU A 62 1.464 -4.881 -13.389 1.00 0.00 C ATOM 943 CD GLU A 62 1.699 -6.378 -13.598 1.00 0.00 C ATOM 944 OE1 GLU A 62 2.648 -6.893 -13.031 1.00 0.00 O ATOM 945 OE2 GLU A 62 0.927 -6.983 -14.323 1.00 0.00 O ATOM 0 H GLU A 62 1.568 -2.623 -13.744 1.00 0.00 H new ATOM 0 HA GLU A 62 3.470 -2.771 -11.573 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.750 -5.253 -11.692 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.482 -4.084 -11.380 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.397 -4.679 -13.295 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.819 -4.322 -14.255 1.00 0.00 H new ATOM 952 N GLY A 63 5.375 -4.272 -12.442 1.00 0.00 N ATOM 953 CA GLY A 63 6.601 -4.840 -13.072 1.00 0.00 C ATOM 954 C GLY A 63 7.473 -3.704 -13.613 1.00 0.00 C ATOM 955 O GLY A 63 8.456 -3.932 -14.287 1.00 0.00 O ATOM 0 H GLY A 63 5.384 -4.243 -11.422 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.160 -5.425 -12.342 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.326 -5.518 -13.880 1.00 0.00 H new ATOM 959 N ASP A 64 7.119 -2.481 -13.324 1.00 0.00 N ATOM 960 CA ASP A 64 7.928 -1.334 -13.823 1.00 0.00 C ATOM 961 C ASP A 64 8.743 -0.749 -12.668 1.00 0.00 C ATOM 962 O ASP A 64 8.560 -1.100 -11.518 1.00 0.00 O ATOM 963 CB ASP A 64 6.985 -0.274 -14.421 1.00 0.00 C ATOM 964 CG ASP A 64 7.567 1.137 -14.263 1.00 0.00 C ATOM 965 OD1 ASP A 64 7.382 1.719 -13.207 1.00 0.00 O ATOM 966 OD2 ASP A 64 8.187 1.609 -15.202 1.00 0.00 O ATOM 0 H ASP A 64 6.305 -2.227 -12.764 1.00 0.00 H new ATOM 0 HA ASP A 64 8.617 -1.667 -14.599 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.819 -0.486 -15.477 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.014 -0.327 -13.928 1.00 0.00 H new ATOM 971 N THR A 65 9.640 0.144 -12.971 1.00 0.00 N ATOM 972 CA THR A 65 10.475 0.762 -11.903 1.00 0.00 C ATOM 973 C THR A 65 9.899 2.130 -11.532 1.00 0.00 C ATOM 974 O THR A 65 9.658 2.962 -12.384 1.00 0.00 O ATOM 975 CB THR A 65 11.909 0.932 -12.409 1.00 0.00 C ATOM 976 OG1 THR A 65 12.491 -0.348 -12.616 1.00 0.00 O ATOM 977 CG2 THR A 65 12.729 1.707 -11.377 1.00 0.00 C ATOM 0 H THR A 65 9.833 0.475 -13.916 1.00 0.00 H new ATOM 0 HA THR A 65 10.475 0.117 -11.024 1.00 0.00 H new ATOM 0 HB THR A 65 11.900 1.484 -13.349 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.409 -0.241 -12.942 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.750 1.827 -11.739 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.282 2.689 -11.220 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.740 1.159 -10.435 1.00 0.00 H new ATOM 985 N VAL A 66 9.678 2.369 -10.269 1.00 0.00 N ATOM 986 CA VAL A 66 9.118 3.684 -9.847 1.00 0.00 C ATOM 987 C VAL A 66 10.082 4.358 -8.868 1.00 0.00 C ATOM 988 O VAL A 66 11.200 3.921 -8.682 1.00 0.00 O ATOM 989 CB VAL A 66 7.766 3.466 -9.164 1.00 0.00 C ATOM 990 CG1 VAL A 66 6.713 3.119 -10.216 1.00 0.00 C ATOM 991 CG2 VAL A 66 7.883 2.317 -8.161 1.00 0.00 C ATOM 0 H VAL A 66 9.861 1.711 -9.511 1.00 0.00 H new ATOM 0 HA VAL A 66 8.985 4.321 -10.722 1.00 0.00 H new ATOM 0 HB VAL A 66 7.471 4.376 -8.642 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.750 2.964 -9.729 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.630 3.937 -10.932 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.007 2.208 -10.738 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.921 2.160 -7.673 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.178 1.407 -8.683 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.634 2.564 -7.411 1.00 0.00 H new ATOM 1001 N LEU A 67 9.657 5.420 -8.240 1.00 0.00 N ATOM 1002 CA LEU A 67 10.550 6.120 -7.273 1.00 0.00 C ATOM 1003 C LEU A 67 9.826 6.279 -5.934 1.00 0.00 C ATOM 1004 O LEU A 67 8.628 6.101 -5.840 1.00 0.00 O ATOM 1005 CB LEU A 67 10.914 7.501 -7.823 1.00 0.00 C ATOM 1006 CG LEU A 67 12.435 7.626 -7.922 1.00 0.00 C ATOM 1007 CD1 LEU A 67 12.993 6.452 -8.728 1.00 0.00 C ATOM 1008 CD2 LEU A 67 12.792 8.939 -8.622 1.00 0.00 C ATOM 0 H LEU A 67 8.731 5.833 -8.354 1.00 0.00 H new ATOM 0 HA LEU A 67 11.459 5.535 -7.128 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.462 7.644 -8.805 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.516 8.280 -7.172 1.00 0.00 H new ATOM 0 HG LEU A 67 12.866 7.616 -6.921 1.00 0.00 H new ATOM 0 HD11 LEU A 67 14.077 6.542 -8.798 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.738 5.516 -8.232 1.00 0.00 H new ATOM 0 HD13 LEU A 67 12.563 6.461 -9.729 1.00 0.00 H new ATOM 0 HD21 LEU A 67 13.876 9.030 -8.694 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.360 8.947 -9.623 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.395 9.777 -8.049 1.00 0.00 H new ATOM 1020 N SER A 68 10.545 6.612 -4.897 1.00 0.00 N ATOM 1021 CA SER A 68 9.898 6.782 -3.566 1.00 0.00 C ATOM 1022 C SER A 68 8.868 7.912 -3.639 1.00 0.00 C ATOM 1023 O SER A 68 9.101 8.937 -4.246 1.00 0.00 O ATOM 1024 CB SER A 68 10.961 7.130 -2.523 1.00 0.00 C ATOM 1025 OG SER A 68 10.344 7.792 -1.427 1.00 0.00 O ATOM 0 H SER A 68 11.552 6.774 -4.914 1.00 0.00 H new ATOM 0 HA SER A 68 9.401 5.854 -3.284 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.461 6.224 -2.181 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.725 7.769 -2.965 1.00 0.00 H new ATOM 0 HG SER A 68 11.022 8.015 -0.756 1.00 0.00 H new ATOM 1031 N GLY A 69 7.730 7.731 -3.025 1.00 0.00 N ATOM 1032 CA GLY A 69 6.688 8.795 -3.060 1.00 0.00 C ATOM 1033 C GLY A 69 6.003 8.795 -4.428 1.00 0.00 C ATOM 1034 O GLY A 69 5.322 9.733 -4.792 1.00 0.00 O ATOM 0 H GLY A 69 7.478 6.893 -2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.953 8.625 -2.274 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.140 9.768 -2.868 1.00 0.00 H new ATOM 1038 N GLU A 70 6.176 7.748 -5.189 1.00 0.00 N ATOM 1039 CA GLU A 70 5.534 7.689 -6.531 1.00 0.00 C ATOM 1040 C GLU A 70 4.060 7.310 -6.376 1.00 0.00 C ATOM 1041 O GLU A 70 3.730 6.234 -5.918 1.00 0.00 O ATOM 1042 CB GLU A 70 6.243 6.639 -7.390 1.00 0.00 C ATOM 1043 CG GLU A 70 5.655 6.652 -8.803 1.00 0.00 C ATOM 1044 CD GLU A 70 5.694 8.076 -9.359 1.00 0.00 C ATOM 1045 OE1 GLU A 70 6.785 8.580 -9.569 1.00 0.00 O ATOM 1046 OE2 GLU A 70 4.632 8.639 -9.567 1.00 0.00 O ATOM 0 H GLU A 70 6.734 6.932 -4.938 1.00 0.00 H new ATOM 0 HA GLU A 70 5.609 8.664 -7.012 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.312 6.847 -7.428 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.126 5.651 -6.945 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.221 5.982 -9.450 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.629 6.285 -8.785 1.00 0.00 H new ATOM 1053 N LEU A 71 3.170 8.185 -6.754 1.00 0.00 N ATOM 1054 CA LEU A 71 1.718 7.874 -6.628 1.00 0.00 C ATOM 1055 C LEU A 71 1.356 6.734 -7.582 1.00 0.00 C ATOM 1056 O LEU A 71 1.448 6.866 -8.786 1.00 0.00 O ATOM 1057 CB LEU A 71 0.896 9.115 -6.983 1.00 0.00 C ATOM 1058 CG LEU A 71 -0.563 8.893 -6.584 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -0.740 9.200 -5.096 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -1.461 9.823 -7.404 1.00 0.00 C ATOM 0 H LEU A 71 3.385 9.102 -7.145 1.00 0.00 H new ATOM 0 HA LEU A 71 1.499 7.575 -5.603 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.296 9.988 -6.468 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.965 9.316 -8.052 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.837 7.856 -6.776 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.781 9.041 -4.813 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.100 8.541 -4.510 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.466 10.237 -4.903 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.502 9.666 -7.121 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.184 10.859 -7.211 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.337 9.606 -8.465 1.00 0.00 H new ATOM 1072 N LEU A 72 0.946 5.613 -7.053 1.00 0.00 N ATOM 1073 CA LEU A 72 0.579 4.465 -7.931 1.00 0.00 C ATOM 1074 C LEU A 72 -0.940 4.428 -8.111 1.00 0.00 C ATOM 1075 O LEU A 72 -1.457 3.722 -8.955 1.00 0.00 O ATOM 1076 CB LEU A 72 1.049 3.160 -7.285 1.00 0.00 C ATOM 1077 CG LEU A 72 2.466 3.343 -6.739 1.00 0.00 C ATOM 1078 CD1 LEU A 72 2.978 2.008 -6.193 1.00 0.00 C ATOM 1079 CD2 LEU A 72 3.388 3.821 -7.862 1.00 0.00 C ATOM 0 H LEU A 72 0.849 5.443 -6.052 1.00 0.00 H new ATOM 0 HA LEU A 72 1.057 4.582 -8.903 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.371 2.876 -6.480 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.031 2.352 -8.017 1.00 0.00 H new ATOM 0 HG LEU A 72 2.454 4.083 -5.939 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.988 2.137 -5.804 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.322 1.666 -5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.990 1.268 -6.993 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.398 3.951 -7.473 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.400 3.081 -8.662 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.024 4.771 -8.252 1.00 0.00 H new ATOM 1091 N GLY A 73 -1.660 5.180 -7.325 1.00 0.00 N ATOM 1092 CA GLY A 73 -3.145 5.186 -7.453 1.00 0.00 C ATOM 1093 C GLY A 73 -3.763 5.812 -6.203 1.00 0.00 C ATOM 1094 O GLY A 73 -3.092 6.052 -5.219 1.00 0.00 O ATOM 0 H GLY A 73 -1.284 5.791 -6.599 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.442 5.748 -8.339 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.513 4.168 -7.583 1.00 0.00 H new ATOM 1098 N LYS A 74 -5.041 6.080 -6.232 1.00 0.00 N ATOM 1099 CA LYS A 74 -5.702 6.690 -5.045 1.00 0.00 C ATOM 1100 C LYS A 74 -6.988 5.926 -4.728 1.00 0.00 C ATOM 1101 O LYS A 74 -7.731 5.548 -5.613 1.00 0.00 O ATOM 1102 CB LYS A 74 -6.037 8.153 -5.344 1.00 0.00 C ATOM 1103 CG LYS A 74 -4.760 8.992 -5.288 1.00 0.00 C ATOM 1104 CD LYS A 74 -5.002 10.339 -5.972 1.00 0.00 C ATOM 1105 CE LYS A 74 -5.427 10.105 -7.424 1.00 0.00 C ATOM 1106 NZ LYS A 74 -5.052 11.290 -8.247 1.00 0.00 N ATOM 0 H LYS A 74 -5.655 5.902 -7.027 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.030 6.639 -4.188 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.497 8.238 -6.328 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.762 8.526 -4.620 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.460 9.147 -4.252 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.944 8.464 -5.781 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.775 10.895 -5.441 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.095 10.943 -5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.945 9.209 -7.816 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.503 9.937 -7.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.340 11.133 -9.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.532 12.135 -7.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.022 11.430 -8.205 1.00 0.00 H new ATOM 1120 N LEU A 75 -7.259 5.694 -3.472 1.00 0.00 N ATOM 1121 CA LEU A 75 -8.497 4.955 -3.102 1.00 0.00 C ATOM 1122 C LEU A 75 -9.586 5.951 -2.697 1.00 0.00 C ATOM 1123 O LEU A 75 -9.336 6.903 -1.985 1.00 0.00 O ATOM 1124 CB LEU A 75 -8.201 4.019 -1.928 1.00 0.00 C ATOM 1125 CG LEU A 75 -9.355 3.029 -1.759 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -9.231 1.917 -2.801 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -9.303 2.421 -0.356 1.00 0.00 C ATOM 0 H LEU A 75 -6.676 5.985 -2.687 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.839 4.371 -3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.270 3.481 -2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.067 4.597 -1.014 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.303 3.550 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.053 1.212 -2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.268 2.350 -3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.283 1.396 -2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.125 1.715 -0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.355 1.901 -0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.392 3.213 0.387 1.00 0.00 H new ATOM 1139 N THR A 76 -10.793 5.740 -3.145 1.00 0.00 N ATOM 1140 CA THR A 76 -11.896 6.675 -2.785 1.00 0.00 C ATOM 1141 C THR A 76 -12.861 5.980 -1.823 1.00 0.00 C ATOM 1142 O THR A 76 -12.758 4.795 -1.575 1.00 0.00 O ATOM 1143 CB THR A 76 -12.648 7.088 -4.052 1.00 0.00 C ATOM 1144 OG1 THR A 76 -11.713 7.469 -5.053 1.00 0.00 O ATOM 1145 CG2 THR A 76 -13.572 8.267 -3.739 1.00 0.00 C ATOM 0 H THR A 76 -11.063 4.960 -3.745 1.00 0.00 H new ATOM 0 HA THR A 76 -11.479 7.560 -2.305 1.00 0.00 H new ATOM 0 HB THR A 76 -13.244 6.249 -4.411 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.193 7.732 -5.866 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.107 8.560 -4.642 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.289 7.974 -2.972 1.00 0.00 H new ATOM 0 HG23 THR A 76 -12.979 9.108 -3.379 1.00 0.00 H new