USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 802 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -128:sc= 0.108 (180deg=-0.0778) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 167:sc= -0.0106 (180deg=-0.155) USER MOD Single : A 29 GLN : amide:sc= -1.18 K(o=-1.2,f=-1.7) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -3.76! C(o=-3.8!,f=-6.5!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 66:sc= 0.017 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 174:sc= 0.268 (180deg=0.253) USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0385) USER MOD Single : A 46 THR OG1 : rot 160:sc= 0.006 USER MOD Single : A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 161:sc= 1.28 USER MOD Single : A 62 GLN : amide:sc= -0.766 X(o=-0.77,f=-0.67) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot -77:sc= 1.21 USER MOD Single : A 68 SER OG : rot 180:sc=-0.00358 USER MOD Single : A 70 LYS NZ :NH3+ -164:sc= -0.0086 (180deg=-0.154) USER MOD Single : A 77 SER OG : rot -94:sc= 0.213 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.571 K(o=0.57,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.375 -2.651 -14.050 1.00 0.00 N ATOM 2 CA MET A 1 -11.627 -3.770 -14.978 1.00 0.00 C ATOM 3 C MET A 1 -10.406 -4.699 -15.041 1.00 0.00 C ATOM 4 O MET A 1 -9.498 -4.574 -14.223 1.00 0.00 O ATOM 5 CB MET A 1 -12.046 -3.243 -16.361 1.00 0.00 C ATOM 6 CG MET A 1 -13.429 -2.583 -16.322 1.00 0.00 C ATOM 7 SD MET A 1 -14.075 -2.136 -17.953 1.00 0.00 S ATOM 8 CE MET A 1 -15.741 -1.608 -17.498 1.00 0.00 C ATOM 0 H1 MET A 1 -12.154 -2.587 -13.364 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.481 -2.814 -13.544 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.312 -1.762 -14.587 1.00 0.00 H new ATOM 0 HA MET A 1 -12.460 -4.366 -14.604 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.309 -2.522 -16.714 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.056 -4.066 -17.076 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.131 -3.262 -15.838 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.375 -1.686 -15.705 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.281 -1.297 -18.392 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.269 -2.436 -17.025 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.680 -0.772 -16.802 1.00 0.00 H new ATOM 20 N GLY A 2 -10.403 -5.652 -15.979 1.00 0.00 N ATOM 21 CA GLY A 2 -9.305 -6.590 -16.153 1.00 0.00 C ATOM 22 C GLY A 2 -7.998 -5.885 -16.514 1.00 0.00 C ATOM 23 O GLY A 2 -7.990 -4.699 -16.841 1.00 0.00 O ATOM 0 H GLY A 2 -11.169 -5.789 -16.639 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -9.167 -7.160 -15.234 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -9.560 -7.304 -16.936 1.00 0.00 H new ATOM 27 N GLU A 3 -6.901 -6.649 -16.475 1.00 0.00 N ATOM 28 CA GLU A 3 -5.535 -6.154 -16.530 1.00 0.00 C ATOM 29 C GLU A 3 -5.202 -5.579 -15.149 1.00 0.00 C ATOM 30 O GLU A 3 -5.971 -5.738 -14.201 1.00 0.00 O ATOM 31 CB GLU A 3 -5.324 -5.193 -17.721 1.00 0.00 C ATOM 32 CG GLU A 3 -3.905 -5.221 -18.316 1.00 0.00 C ATOM 33 CD GLU A 3 -3.876 -4.626 -19.723 1.00 0.00 C ATOM 34 OE1 GLU A 3 -4.488 -5.251 -20.615 1.00 0.00 O ATOM 35 OE2 GLU A 3 -3.237 -3.563 -19.881 1.00 0.00 O ATOM 0 H GLU A 3 -6.950 -7.665 -16.402 1.00 0.00 H new ATOM 0 HA GLU A 3 -4.822 -6.953 -16.734 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.039 -5.443 -18.505 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.549 -4.177 -17.397 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -3.227 -4.663 -17.670 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -3.542 -6.248 -18.347 1.00 0.00 H new ATOM 42 N TRP A 4 -4.032 -4.964 -15.028 1.00 0.00 N ATOM 43 CA TRP A 4 -3.577 -4.288 -13.827 1.00 0.00 C ATOM 44 C TRP A 4 -3.426 -2.810 -14.171 1.00 0.00 C ATOM 45 O TRP A 4 -3.238 -2.474 -15.341 1.00 0.00 O ATOM 46 CB TRP A 4 -2.227 -4.853 -13.379 1.00 0.00 C ATOM 47 CG TRP A 4 -2.105 -6.334 -13.165 1.00 0.00 C ATOM 48 CD1 TRP A 4 -2.246 -7.297 -14.104 1.00 0.00 C ATOM 49 CD2 TRP A 4 -1.747 -7.032 -11.937 1.00 0.00 C ATOM 50 NE1 TRP A 4 -2.054 -8.537 -13.530 1.00 0.00 N ATOM 51 CE2 TRP A 4 -1.743 -8.434 -12.190 1.00 0.00 C ATOM 52 CE3 TRP A 4 -1.431 -6.615 -10.629 1.00 0.00 C ATOM 53 CZ2 TRP A 4 -1.458 -9.376 -11.190 1.00 0.00 C ATOM 54 CZ3 TRP A 4 -1.149 -7.546 -9.614 1.00 0.00 C ATOM 55 CH2 TRP A 4 -1.168 -8.926 -9.890 1.00 0.00 C ATOM 0 H TRP A 4 -3.355 -4.923 -15.789 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.290 -4.431 -13.015 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -1.484 -4.563 -14.122 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -1.955 -4.360 -12.446 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -2.474 -7.122 -15.145 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -2.132 -9.420 -14.034 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -1.405 -5.560 -10.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -1.461 -10.432 -11.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -0.917 -7.201 -8.617 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -0.960 -9.638 -9.105 1.00 0.00 H new ATOM 66 N GLU A 5 -3.490 -1.938 -13.166 1.00 0.00 N ATOM 67 CA GLU A 5 -3.359 -0.508 -13.320 1.00 0.00 C ATOM 68 C GLU A 5 -2.295 0.054 -12.383 1.00 0.00 C ATOM 69 O GLU A 5 -1.859 -0.595 -11.429 1.00 0.00 O ATOM 70 CB GLU A 5 -4.718 0.158 -13.100 1.00 0.00 C ATOM 71 CG GLU A 5 -5.283 0.023 -11.679 1.00 0.00 C ATOM 72 CD GLU A 5 -6.377 -1.033 -11.539 1.00 0.00 C ATOM 73 OE1 GLU A 5 -6.179 -2.154 -12.050 1.00 0.00 O ATOM 74 OE2 GLU A 5 -7.392 -0.695 -10.890 1.00 0.00 O ATOM 0 H GLU A 5 -3.639 -2.225 -12.199 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.028 -0.289 -14.335 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.630 1.217 -13.341 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.434 -0.270 -13.802 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.468 -0.221 -10.998 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.682 0.988 -11.365 1.00 0.00 H new ATOM 81 N ILE A 6 -1.906 1.294 -12.673 1.00 0.00 N ATOM 82 CA ILE A 6 -0.932 2.043 -11.904 1.00 0.00 C ATOM 83 C ILE A 6 -1.579 2.453 -10.575 1.00 0.00 C ATOM 84 O ILE A 6 -2.770 2.753 -10.527 1.00 0.00 O ATOM 85 CB ILE A 6 -0.413 3.256 -12.708 1.00 0.00 C ATOM 86 CG1 ILE A 6 -0.133 2.888 -14.181 1.00 0.00 C ATOM 87 CG2 ILE A 6 0.861 3.814 -12.051 1.00 0.00 C ATOM 88 CD1 ILE A 6 0.445 4.044 -15.004 1.00 0.00 C ATOM 0 H ILE A 6 -2.273 1.813 -13.471 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.059 1.426 -11.691 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.191 4.019 -12.700 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.562 2.049 -14.211 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.060 2.551 -14.645 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.221 4.669 -12.623 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.637 4.128 -11.032 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.629 3.041 -12.032 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.616 3.712 -16.028 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.258 4.877 -15.005 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.389 4.367 -14.565 1.00 0.00 H new ATOM 100 N ILE A 7 -0.786 2.443 -9.504 1.00 0.00 N ATOM 101 CA ILE A 7 -1.163 2.893 -8.167 1.00 0.00 C ATOM 102 C ILE A 7 -1.439 4.412 -8.154 1.00 0.00 C ATOM 103 O ILE A 7 -2.576 4.825 -8.354 1.00 0.00 O ATOM 104 CB ILE A 7 -0.086 2.402 -7.176 1.00 0.00 C ATOM 105 CG1 ILE A 7 -0.284 2.892 -5.732 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.328 2.659 -7.718 1.00 0.00 C ATOM 107 CD1 ILE A 7 0.609 2.177 -4.712 1.00 0.00 C ATOM 0 H ILE A 7 0.176 2.107 -9.547 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.109 2.458 -7.844 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.212 1.322 -7.101 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.084 3.963 -5.690 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.327 2.752 -5.450 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.064 2.302 -6.998 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.458 2.129 -8.662 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.467 3.728 -7.880 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.414 2.575 -3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.393 1.109 -4.725 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.656 2.338 -4.969 1.00 0.00 H new ATOM 119 N ASP A 8 -0.418 5.248 -7.913 1.00 0.00 N ATOM 120 CA ASP A 8 -0.502 6.709 -7.926 1.00 0.00 C ATOM 121 C ASP A 8 -1.551 7.243 -6.937 1.00 0.00 C ATOM 122 O ASP A 8 -2.460 7.971 -7.326 1.00 0.00 O ATOM 123 CB ASP A 8 -0.732 7.209 -9.365 1.00 0.00 C ATOM 124 CG ASP A 8 -0.574 8.723 -9.514 1.00 0.00 C ATOM 125 OD1 ASP A 8 -0.032 9.351 -8.581 1.00 0.00 O ATOM 126 OD2 ASP A 8 -0.974 9.221 -10.590 1.00 0.00 O ATOM 0 H ASP A 8 0.520 4.910 -7.697 1.00 0.00 H new ATOM 0 HA ASP A 8 0.450 7.111 -7.579 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.029 6.710 -10.032 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.733 6.922 -9.686 1.00 0.00 H new ATOM 131 N ILE A 9 -1.414 6.884 -5.653 1.00 0.00 N ATOM 132 CA ILE A 9 -2.322 7.265 -4.578 1.00 0.00 C ATOM 133 C ILE A 9 -1.533 8.013 -3.494 1.00 0.00 C ATOM 134 O ILE A 9 -0.313 8.151 -3.607 1.00 0.00 O ATOM 135 CB ILE A 9 -3.011 5.992 -4.037 1.00 0.00 C ATOM 136 CG1 ILE A 9 -3.578 5.082 -5.139 1.00 0.00 C ATOM 137 CG2 ILE A 9 -4.165 6.332 -3.094 1.00 0.00 C ATOM 138 CD1 ILE A 9 -4.720 5.754 -5.905 1.00 0.00 C ATOM 0 H ILE A 9 -0.641 6.302 -5.330 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.100 7.938 -4.937 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.218 5.461 -3.511 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.782 4.816 -5.835 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.937 4.154 -4.694 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.624 5.411 -2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.786 6.904 -2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.909 6.924 -3.628 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.091 5.076 -6.674 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.528 5.997 -5.215 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.356 6.669 -6.373 1.00 0.00 H new ATOM 150 N GLY A 10 -2.218 8.466 -2.432 1.00 0.00 N ATOM 151 CA GLY A 10 -1.644 9.177 -1.305 1.00 0.00 C ATOM 152 C GLY A 10 -2.214 8.562 -0.030 1.00 0.00 C ATOM 153 O GLY A 10 -1.545 7.739 0.591 1.00 0.00 O ATOM 0 H GLY A 10 -3.226 8.336 -2.342 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.557 9.097 -1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.886 10.238 -1.359 1.00 0.00 H new ATOM 157 N PRO A 11 -3.466 8.884 0.340 1.00 0.00 N ATOM 158 CA PRO A 11 -4.065 8.377 1.562 1.00 0.00 C ATOM 159 C PRO A 11 -4.121 6.850 1.562 1.00 0.00 C ATOM 160 O PRO A 11 -3.659 6.235 2.510 1.00 0.00 O ATOM 161 CB PRO A 11 -5.449 9.026 1.665 1.00 0.00 C ATOM 162 CG PRO A 11 -5.776 9.428 0.228 1.00 0.00 C ATOM 163 CD PRO A 11 -4.401 9.751 -0.362 1.00 0.00 C ATOM 0 HA PRO A 11 -3.468 8.633 2.438 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.188 8.330 2.063 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.436 9.891 2.328 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.268 8.621 -0.315 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.443 10.289 0.192 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.380 9.564 -1.436 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.148 10.801 -0.217 1.00 0.00 H new ATOM 171 N PHE A 12 -4.663 6.230 0.511 1.00 0.00 N ATOM 172 CA PHE A 12 -4.843 4.778 0.453 1.00 0.00 C ATOM 173 C PHE A 12 -3.501 4.048 0.589 1.00 0.00 C ATOM 174 O PHE A 12 -3.375 3.107 1.369 1.00 0.00 O ATOM 175 CB PHE A 12 -5.554 4.390 -0.851 1.00 0.00 C ATOM 176 CG PHE A 12 -6.645 3.344 -0.750 1.00 0.00 C ATOM 177 CD1 PHE A 12 -6.350 2.041 -0.302 1.00 0.00 C ATOM 178 CD2 PHE A 12 -7.932 3.639 -1.241 1.00 0.00 C ATOM 179 CE1 PHE A 12 -7.357 1.060 -0.289 1.00 0.00 C ATOM 180 CE2 PHE A 12 -8.928 2.652 -1.250 1.00 0.00 C ATOM 181 CZ PHE A 12 -8.647 1.368 -0.757 1.00 0.00 C ATOM 0 H PHE A 12 -4.989 6.720 -0.322 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.466 4.472 1.293 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.987 5.292 -1.283 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.802 4.030 -1.553 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.352 1.796 0.031 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.152 4.629 -1.612 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.140 0.069 0.081 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.911 2.880 -1.636 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.422 0.616 -0.737 1.00 0.00 H new ATOM 191 N THR A 13 -2.490 4.473 -0.173 1.00 0.00 N ATOM 192 CA THR A 13 -1.172 3.847 -0.132 1.00 0.00 C ATOM 193 C THR A 13 -0.542 4.059 1.245 1.00 0.00 C ATOM 194 O THR A 13 -0.005 3.112 1.822 1.00 0.00 O ATOM 195 CB THR A 13 -0.294 4.305 -1.310 1.00 0.00 C ATOM 196 OG1 THR A 13 0.957 3.650 -1.321 1.00 0.00 O ATOM 197 CG2 THR A 13 -0.056 5.812 -1.355 1.00 0.00 C ATOM 0 H THR A 13 -2.563 5.252 -0.828 1.00 0.00 H new ATOM 0 HA THR A 13 -1.271 2.770 -0.265 1.00 0.00 H new ATOM 0 HB THR A 13 -0.867 4.030 -2.196 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.485 3.966 -2.084 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.571 6.056 -2.213 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.011 6.329 -1.445 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.443 6.129 -0.439 1.00 0.00 H new ATOM 205 N GLN A 14 -0.647 5.269 1.810 1.00 0.00 N ATOM 206 CA GLN A 14 -0.191 5.480 3.174 1.00 0.00 C ATOM 207 C GLN A 14 -0.936 4.543 4.128 1.00 0.00 C ATOM 208 O GLN A 14 -0.330 3.953 5.013 1.00 0.00 O ATOM 209 CB GLN A 14 -0.375 6.946 3.588 1.00 0.00 C ATOM 210 CG GLN A 14 0.937 7.741 3.586 1.00 0.00 C ATOM 211 CD GLN A 14 1.444 8.040 2.177 1.00 0.00 C ATOM 212 OE1 GLN A 14 1.876 7.144 1.460 1.00 0.00 O ATOM 213 NE2 GLN A 14 1.426 9.308 1.774 1.00 0.00 N ATOM 0 H GLN A 14 -1.035 6.093 1.351 1.00 0.00 H new ATOM 0 HA GLN A 14 0.873 5.251 3.226 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.083 7.423 2.910 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.814 6.983 4.585 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.789 8.679 4.121 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.697 7.180 4.130 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.061 10.034 2.391 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.777 9.554 0.848 1.00 0.00 H new ATOM 222 N ASN A 15 -2.246 4.398 3.944 1.00 0.00 N ATOM 223 CA ASN A 15 -3.093 3.571 4.787 1.00 0.00 C ATOM 224 C ASN A 15 -2.661 2.117 4.722 1.00 0.00 C ATOM 225 O ASN A 15 -2.604 1.453 5.746 1.00 0.00 O ATOM 226 CB ASN A 15 -4.560 3.694 4.380 1.00 0.00 C ATOM 227 CG ASN A 15 -5.465 3.218 5.509 1.00 0.00 C ATOM 228 OD1 ASN A 15 -5.784 3.981 6.415 1.00 0.00 O ATOM 229 ND2 ASN A 15 -5.890 1.959 5.479 1.00 0.00 N ATOM 0 H ASN A 15 -2.754 4.862 3.191 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.986 3.926 5.812 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.790 4.730 4.133 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.746 3.104 3.483 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.496 1.607 6.221 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.610 1.344 4.714 1.00 0.00 H new ATOM 236 N LEU A 16 -2.357 1.617 3.524 1.00 0.00 N ATOM 237 CA LEU A 16 -1.790 0.281 3.364 1.00 0.00 C ATOM 238 C LEU A 16 -0.454 0.181 4.100 1.00 0.00 C ATOM 239 O LEU A 16 -0.255 -0.751 4.882 1.00 0.00 O ATOM 240 CB LEU A 16 -1.612 -0.058 1.879 1.00 0.00 C ATOM 241 CG LEU A 16 -2.926 -0.347 1.135 1.00 0.00 C ATOM 242 CD1 LEU A 16 -2.596 -0.665 -0.321 1.00 0.00 C ATOM 243 CD2 LEU A 16 -3.694 -1.509 1.766 1.00 0.00 C ATOM 0 H LEU A 16 -2.495 2.121 2.648 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.482 -0.441 3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.104 0.772 1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.960 -0.927 1.792 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.567 0.532 1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.517 -0.873 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.091 0.188 -0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.944 -1.537 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.616 -1.680 1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.080 -2.409 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.934 -1.267 2.801 1.00 0.00 H new ATOM 255 N ALA A 17 0.455 1.134 3.859 1.00 0.00 N ATOM 256 CA ALA A 17 1.755 1.152 4.515 1.00 0.00 C ATOM 257 C ALA A 17 1.587 1.084 6.037 1.00 0.00 C ATOM 258 O ALA A 17 2.255 0.302 6.707 1.00 0.00 O ATOM 259 CB ALA A 17 2.534 2.397 4.084 1.00 0.00 C ATOM 0 H ALA A 17 0.306 1.905 3.208 1.00 0.00 H new ATOM 0 HA ALA A 17 2.327 0.275 4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.506 2.407 4.577 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.675 2.382 3.003 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.976 3.290 4.364 1.00 0.00 H new ATOM 265 N LYS A 18 0.668 1.884 6.578 1.00 0.00 N ATOM 266 CA LYS A 18 0.343 1.867 7.992 1.00 0.00 C ATOM 267 C LYS A 18 -0.238 0.511 8.395 1.00 0.00 C ATOM 268 O LYS A 18 0.281 -0.106 9.318 1.00 0.00 O ATOM 269 CB LYS A 18 -0.611 3.020 8.354 1.00 0.00 C ATOM 270 CG LYS A 18 -0.023 3.971 9.403 1.00 0.00 C ATOM 271 CD LYS A 18 0.302 3.237 10.711 1.00 0.00 C ATOM 272 CE LYS A 18 0.443 4.234 11.868 1.00 0.00 C ATOM 273 NZ LYS A 18 0.839 3.559 13.116 1.00 0.00 N ATOM 0 H LYS A 18 0.129 2.563 6.040 1.00 0.00 H new ATOM 0 HA LYS A 18 1.263 2.017 8.557 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.850 3.584 7.453 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.547 2.607 8.729 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.883 4.433 9.009 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.730 4.776 9.603 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.486 2.519 10.937 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.226 2.671 10.597 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.185 4.990 11.610 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.503 4.754 12.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.926 4.261 13.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.118 2.855 13.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.753 3.083 12.978 1.00 0.00 H new ATOM 287 N PHE A 19 -1.307 0.058 7.725 1.00 0.00 N ATOM 288 CA PHE A 19 -2.035 -1.176 8.027 1.00 0.00 C ATOM 289 C PHE A 19 -1.044 -2.320 8.198 1.00 0.00 C ATOM 290 O PHE A 19 -1.095 -3.034 9.200 1.00 0.00 O ATOM 291 CB PHE A 19 -3.089 -1.496 6.942 1.00 0.00 C ATOM 292 CG PHE A 19 -4.076 -2.627 7.252 1.00 0.00 C ATOM 293 CD1 PHE A 19 -4.696 -2.702 8.515 1.00 0.00 C ATOM 294 CD2 PHE A 19 -4.471 -3.543 6.251 1.00 0.00 C ATOM 295 CE1 PHE A 19 -5.618 -3.724 8.804 1.00 0.00 C ATOM 296 CE2 PHE A 19 -5.357 -4.602 6.560 1.00 0.00 C ATOM 297 CZ PHE A 19 -5.924 -4.707 7.851 1.00 0.00 C ATOM 0 H PHE A 19 -1.700 0.561 6.930 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.582 -1.041 8.960 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.661 -0.589 6.746 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.563 -1.746 6.021 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.461 -1.966 9.270 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.095 -3.434 5.245 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.096 -3.752 9.772 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.602 -5.335 5.805 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.580 -5.528 8.099 1.00 0.00 H new ATOM 307 N ALA A 20 -0.114 -2.430 7.242 1.00 0.00 N ATOM 308 CA ALA A 20 0.993 -3.370 7.298 1.00 0.00 C ATOM 309 C ALA A 20 1.644 -3.406 8.679 1.00 0.00 C ATOM 310 O ALA A 20 1.702 -4.463 9.302 1.00 0.00 O ATOM 311 CB ALA A 20 2.012 -3.068 6.200 1.00 0.00 C ATOM 0 H ALA A 20 -0.116 -1.856 6.399 1.00 0.00 H new ATOM 0 HA ALA A 20 0.590 -4.367 7.119 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.833 -3.783 6.259 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.531 -3.148 5.225 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.400 -2.058 6.332 1.00 0.00 H new ATOM 317 N VAL A 21 2.142 -2.267 9.163 1.00 0.00 N ATOM 318 CA VAL A 21 2.852 -2.224 10.428 1.00 0.00 C ATOM 319 C VAL A 21 1.877 -2.401 11.590 1.00 0.00 C ATOM 320 O VAL A 21 2.123 -3.204 12.485 1.00 0.00 O ATOM 321 CB VAL A 21 3.638 -0.910 10.544 1.00 0.00 C ATOM 322 CG1 VAL A 21 4.520 -0.963 11.801 1.00 0.00 C ATOM 323 CG2 VAL A 21 4.523 -0.712 9.311 1.00 0.00 C ATOM 0 H VAL A 21 2.063 -1.365 8.693 1.00 0.00 H new ATOM 0 HA VAL A 21 3.566 -3.047 10.469 1.00 0.00 H new ATOM 0 HB VAL A 21 2.938 -0.078 10.613 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.082 -0.033 11.891 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.891 -1.093 12.682 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.214 -1.800 11.724 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.075 0.223 9.406 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.226 -1.541 9.230 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.900 -0.676 8.418 1.00 0.00 H new ATOM 333 N ASP A 22 0.790 -1.631 11.577 1.00 0.00 N ATOM 334 CA ASP A 22 -0.240 -1.566 12.602 1.00 0.00 C ATOM 335 C ASP A 22 -0.772 -2.955 12.946 1.00 0.00 C ATOM 336 O ASP A 22 -0.627 -3.419 14.074 1.00 0.00 O ATOM 337 CB ASP A 22 -1.363 -0.649 12.097 1.00 0.00 C ATOM 338 CG ASP A 22 -2.629 -0.760 12.938 1.00 0.00 C ATOM 339 OD1 ASP A 22 -2.553 -0.392 14.130 1.00 0.00 O ATOM 340 OD2 ASP A 22 -3.646 -1.214 12.370 1.00 0.00 O ATOM 0 H ASP A 22 0.597 -0.998 10.801 1.00 0.00 H new ATOM 0 HA ASP A 22 0.183 -1.160 13.521 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.015 0.384 12.104 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.595 -0.900 11.062 1.00 0.00 H new ATOM 345 N GLU A 23 -1.403 -3.615 11.974 1.00 0.00 N ATOM 346 CA GLU A 23 -1.999 -4.926 12.173 1.00 0.00 C ATOM 347 C GLU A 23 -0.924 -5.926 12.596 1.00 0.00 C ATOM 348 O GLU A 23 -1.165 -6.760 13.464 1.00 0.00 O ATOM 349 CB GLU A 23 -2.705 -5.370 10.885 1.00 0.00 C ATOM 350 CG GLU A 23 -4.141 -5.864 11.096 1.00 0.00 C ATOM 351 CD GLU A 23 -4.231 -7.286 11.635 1.00 0.00 C ATOM 352 OE1 GLU A 23 -3.876 -7.476 12.815 1.00 0.00 O ATOM 353 OE2 GLU A 23 -4.674 -8.157 10.857 1.00 0.00 O ATOM 0 H GLU A 23 -1.512 -3.251 11.028 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.742 -4.878 12.969 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.719 -4.535 10.185 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.123 -6.166 10.420 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.649 -5.191 11.787 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.676 -5.811 10.148 1.00 0.00 H new ATOM 360 N GLU A 24 0.276 -5.841 12.004 1.00 0.00 N ATOM 361 CA GLU A 24 1.368 -6.678 12.464 1.00 0.00 C ATOM 362 C GLU A 24 1.565 -6.450 13.969 1.00 0.00 C ATOM 363 O GLU A 24 1.475 -7.398 14.741 1.00 0.00 O ATOM 364 CB GLU A 24 2.645 -6.454 11.631 1.00 0.00 C ATOM 365 CG GLU A 24 3.559 -7.674 11.672 1.00 0.00 C ATOM 366 CD GLU A 24 3.921 -8.140 13.074 1.00 0.00 C ATOM 367 OE1 GLU A 24 4.327 -7.288 13.892 1.00 0.00 O ATOM 368 OE2 GLU A 24 3.800 -9.364 13.282 1.00 0.00 O ATOM 0 H GLU A 24 0.502 -5.217 11.229 1.00 0.00 H new ATOM 0 HA GLU A 24 1.121 -7.729 12.316 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.374 -6.236 10.598 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.180 -5.584 12.011 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.074 -8.494 11.143 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.476 -7.444 11.130 1.00 0.00 H new ATOM 375 N ASN A 25 1.800 -5.203 14.384 1.00 0.00 N ATOM 376 CA ASN A 25 2.033 -4.822 15.774 1.00 0.00 C ATOM 377 C ASN A 25 0.915 -5.322 16.685 1.00 0.00 C ATOM 378 O ASN A 25 1.182 -5.805 17.782 1.00 0.00 O ATOM 379 CB ASN A 25 2.177 -3.294 15.899 1.00 0.00 C ATOM 380 CG ASN A 25 3.601 -2.887 16.252 1.00 0.00 C ATOM 381 OD1 ASN A 25 3.863 -2.386 17.340 1.00 0.00 O ATOM 382 ND2 ASN A 25 4.538 -3.094 15.332 1.00 0.00 N ATOM 0 H ASN A 25 1.834 -4.411 13.743 1.00 0.00 H new ATOM 0 HA ASN A 25 2.963 -5.292 16.093 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.887 -2.824 14.960 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.494 -2.926 16.664 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.506 -2.834 15.522 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.289 -3.513 14.436 1.00 0.00 H new ATOM 389 N LYS A 26 -0.334 -5.204 16.230 1.00 0.00 N ATOM 390 CA LYS A 26 -1.502 -5.682 16.954 1.00 0.00 C ATOM 391 C LYS A 26 -1.378 -7.174 17.296 1.00 0.00 C ATOM 392 O LYS A 26 -1.928 -7.600 18.312 1.00 0.00 O ATOM 393 CB LYS A 26 -2.758 -5.324 16.138 1.00 0.00 C ATOM 394 CG LYS A 26 -4.106 -5.742 16.748 1.00 0.00 C ATOM 395 CD LYS A 26 -4.539 -7.136 16.263 1.00 0.00 C ATOM 396 CE LYS A 26 -5.981 -7.483 16.645 1.00 0.00 C ATOM 397 NZ LYS A 26 -6.960 -6.618 15.960 1.00 0.00 N ATOM 0 H LYS A 26 -0.560 -4.767 15.336 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.584 -5.188 17.922 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.771 -4.245 15.985 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.670 -5.784 15.154 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.030 -5.742 17.835 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.869 -5.010 16.482 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.434 -7.186 15.179 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.868 -7.885 16.683 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.181 -8.525 16.395 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.103 -7.385 17.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.913 -7.019 16.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.935 -5.666 16.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.723 -6.558 14.949 1.00 0.00 H new ATOM 411 N ILE A 27 -0.674 -7.966 16.475 1.00 0.00 N ATOM 412 CA ILE A 27 -0.499 -9.400 16.693 1.00 0.00 C ATOM 413 C ILE A 27 0.912 -9.729 17.203 1.00 0.00 C ATOM 414 O ILE A 27 1.066 -10.225 18.316 1.00 0.00 O ATOM 415 CB ILE A 27 -0.841 -10.181 15.411 1.00 0.00 C ATOM 416 CG1 ILE A 27 -2.308 -9.947 15.005 1.00 0.00 C ATOM 417 CG2 ILE A 27 -0.580 -11.670 15.678 1.00 0.00 C ATOM 418 CD1 ILE A 27 -2.659 -10.523 13.627 1.00 0.00 C ATOM 0 H ILE A 27 -0.208 -7.622 15.635 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.192 -9.713 17.474 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.218 -9.836 14.586 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.960 -10.395 15.755 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.511 -8.876 15.005 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.815 -12.247 14.783 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.469 -11.815 15.938 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.208 -12.007 16.503 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.707 -10.322 13.405 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.031 -10.057 12.867 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.488 -11.600 13.628 1.00 0.00 H new ATOM 430 N GLY A 28 1.934 -9.513 16.370 1.00 0.00 N ATOM 431 CA GLY A 28 3.324 -9.837 16.666 1.00 0.00 C ATOM 432 C GLY A 28 3.731 -11.223 16.155 1.00 0.00 C ATOM 433 O GLY A 28 4.271 -12.027 16.909 1.00 0.00 O ATOM 0 H GLY A 28 1.809 -9.096 15.447 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.972 -9.084 16.217 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.482 -9.791 17.744 1.00 0.00 H new ATOM 437 N GLN A 29 3.512 -11.492 14.862 1.00 0.00 N ATOM 438 CA GLN A 29 4.076 -12.651 14.170 1.00 0.00 C ATOM 439 C GLN A 29 5.526 -12.370 13.742 1.00 0.00 C ATOM 440 O GLN A 29 6.432 -13.108 14.117 1.00 0.00 O ATOM 441 CB GLN A 29 3.256 -13.024 12.918 1.00 0.00 C ATOM 442 CG GLN A 29 2.283 -14.203 13.087 1.00 0.00 C ATOM 443 CD GLN A 29 0.853 -13.805 13.417 1.00 0.00 C ATOM 444 OE1 GLN A 29 0.265 -14.328 14.356 1.00 0.00 O ATOM 445 NE2 GLN A 29 0.262 -12.916 12.621 1.00 0.00 N ATOM 0 H GLN A 29 2.932 -10.904 14.263 1.00 0.00 H new ATOM 0 HA GLN A 29 4.047 -13.485 14.872 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.687 -12.149 12.605 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.948 -13.260 12.110 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.280 -14.788 12.167 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.656 -14.854 13.878 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.781 -12.499 11.848 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.709 -12.652 12.784 1.00 0.00 H new ATOM 454 N TYR A 30 5.724 -11.354 12.889 1.00 0.00 N ATOM 455 CA TYR A 30 6.991 -11.081 12.204 1.00 0.00 C ATOM 456 C TYR A 30 7.533 -9.695 12.560 1.00 0.00 C ATOM 457 O TYR A 30 8.621 -9.576 13.115 1.00 0.00 O ATOM 458 CB TYR A 30 6.864 -11.280 10.676 1.00 0.00 C ATOM 459 CG TYR A 30 5.501 -11.026 10.044 1.00 0.00 C ATOM 460 CD1 TYR A 30 5.153 -9.756 9.547 1.00 0.00 C ATOM 461 CD2 TYR A 30 4.621 -12.107 9.843 1.00 0.00 C ATOM 462 CE1 TYR A 30 3.883 -9.545 8.982 1.00 0.00 C ATOM 463 CE2 TYR A 30 3.356 -11.898 9.267 1.00 0.00 C ATOM 464 CZ TYR A 30 2.984 -10.612 8.845 1.00 0.00 C ATOM 465 OH TYR A 30 1.764 -10.393 8.283 1.00 0.00 O ATOM 0 H TYR A 30 4.990 -10.686 12.653 1.00 0.00 H new ATOM 0 HA TYR A 30 7.721 -11.809 12.559 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.587 -10.625 10.190 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.156 -12.304 10.445 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.862 -8.943 9.600 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.920 -13.103 10.133 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.599 -8.557 8.652 1.00 0.00 H new ATOM 0 HE2 TYR A 30 2.672 -12.725 9.149 1.00 0.00 H new ATOM 0 HH TYR A 30 1.259 -11.233 8.259 1.00 0.00 H new ATOM 475 N GLY A 31 6.777 -8.651 12.220 1.00 0.00 N ATOM 476 CA GLY A 31 7.193 -7.263 12.374 1.00 0.00 C ATOM 477 C GLY A 31 7.670 -6.713 11.037 1.00 0.00 C ATOM 478 O GLY A 31 8.312 -7.420 10.263 1.00 0.00 O ATOM 0 H GLY A 31 5.843 -8.751 11.823 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.362 -6.665 12.747 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.993 -7.194 13.112 1.00 0.00 H new ATOM 482 N ARG A 32 7.373 -5.438 10.761 1.00 0.00 N ATOM 483 CA ARG A 32 7.847 -4.709 9.596 1.00 0.00 C ATOM 484 C ARG A 32 9.323 -4.343 9.800 1.00 0.00 C ATOM 485 O ARG A 32 9.704 -3.177 9.702 1.00 0.00 O ATOM 486 CB ARG A 32 6.934 -3.495 9.381 1.00 0.00 C ATOM 487 CG ARG A 32 7.269 -2.657 8.137 1.00 0.00 C ATOM 488 CD ARG A 32 6.388 -2.914 6.909 1.00 0.00 C ATOM 489 NE ARG A 32 6.591 -1.840 5.923 1.00 0.00 N ATOM 490 CZ ARG A 32 5.732 -1.493 4.953 1.00 0.00 C ATOM 491 NH1 ARG A 32 4.655 -2.241 4.700 1.00 0.00 N ATOM 492 NH2 ARG A 32 5.963 -0.392 4.230 1.00 0.00 N ATOM 0 H ARG A 32 6.777 -4.874 11.366 1.00 0.00 H new ATOM 0 HA ARG A 32 7.800 -5.312 8.689 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.903 -3.841 9.304 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.990 -2.854 10.261 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.195 -1.602 8.401 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.307 -2.845 7.863 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.635 -3.879 6.467 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.339 -2.958 7.204 1.00 0.00 H new ATOM 0 HE ARG A 32 7.462 -1.313 5.983 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.480 -3.084 5.246 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.007 -1.969 3.960 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.788 0.178 4.418 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.314 -0.122 3.491 1.00 0.00 H new ATOM 506 N LEU A 33 10.148 -5.360 10.075 1.00 0.00 N ATOM 507 CA LEU A 33 11.560 -5.242 10.376 1.00 0.00 C ATOM 508 C LEU A 33 11.785 -3.997 11.247 1.00 0.00 C ATOM 509 O LEU A 33 11.128 -3.853 12.277 1.00 0.00 O ATOM 510 CB LEU A 33 12.351 -5.290 9.063 1.00 0.00 C ATOM 511 CG LEU A 33 12.213 -6.582 8.223 1.00 0.00 C ATOM 512 CD1 LEU A 33 12.800 -7.810 8.923 1.00 0.00 C ATOM 513 CD2 LEU A 33 10.803 -6.960 7.749 1.00 0.00 C ATOM 0 H LEU A 33 9.824 -6.327 10.092 1.00 0.00 H new ATOM 0 HA LEU A 33 11.934 -6.076 10.970 1.00 0.00 H new ATOM 0 HB2 LEU A 33 12.040 -4.447 8.446 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.406 -5.144 9.294 1.00 0.00 H new ATOM 0 HG LEU A 33 12.785 -6.308 7.336 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.674 -8.686 8.287 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.861 -7.648 9.113 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.283 -7.971 9.869 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.848 -7.884 7.172 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.155 -7.103 8.613 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.403 -6.162 7.124 1.00 0.00 H new ATOM 525 N THR A 34 12.673 -3.097 10.825 1.00 0.00 N ATOM 526 CA THR A 34 12.819 -1.780 11.431 1.00 0.00 C ATOM 527 C THR A 34 12.428 -0.744 10.375 1.00 0.00 C ATOM 528 O THR A 34 13.202 -0.554 9.441 1.00 0.00 O ATOM 529 CB THR A 34 14.264 -1.615 11.926 1.00 0.00 C ATOM 530 OG1 THR A 34 14.554 -2.659 12.834 1.00 0.00 O ATOM 531 CG2 THR A 34 14.496 -0.272 12.627 1.00 0.00 C ATOM 0 H THR A 34 13.313 -3.265 10.049 1.00 0.00 H new ATOM 0 HA THR A 34 12.172 -1.648 12.298 1.00 0.00 H new ATOM 0 HB THR A 34 14.918 -1.649 11.055 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.475 -2.566 13.156 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.533 -0.208 12.957 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.285 0.542 11.933 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.835 -0.193 13.490 1.00 0.00 H new ATOM 539 N PHE A 35 11.238 -0.127 10.509 1.00 0.00 N ATOM 540 CA PHE A 35 10.677 0.938 9.669 1.00 0.00 C ATOM 541 C PHE A 35 11.543 1.335 8.471 1.00 0.00 C ATOM 542 O PHE A 35 12.342 2.264 8.556 1.00 0.00 O ATOM 543 CB PHE A 35 10.341 2.165 10.532 1.00 0.00 C ATOM 544 CG PHE A 35 9.007 2.095 11.250 1.00 0.00 C ATOM 545 CD1 PHE A 35 7.825 2.066 10.488 1.00 0.00 C ATOM 546 CD2 PHE A 35 8.929 2.226 12.650 1.00 0.00 C ATOM 547 CE1 PHE A 35 6.576 2.145 11.120 1.00 0.00 C ATOM 548 CE2 PHE A 35 7.675 2.317 13.281 1.00 0.00 C ATOM 549 CZ PHE A 35 6.497 2.281 12.516 1.00 0.00 C ATOM 0 H PHE A 35 10.601 -0.382 11.264 1.00 0.00 H new ATOM 0 HA PHE A 35 9.768 0.524 9.232 1.00 0.00 H new ATOM 0 HB2 PHE A 35 11.129 2.297 11.273 1.00 0.00 H new ATOM 0 HB3 PHE A 35 10.349 3.051 9.897 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.880 1.983 9.413 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.833 2.257 13.240 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.671 2.101 10.532 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.618 2.415 14.355 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.534 2.358 12.999 1.00 0.00 H new ATOM 559 N ASN A 36 11.360 0.622 7.356 1.00 0.00 N ATOM 560 CA ASN A 36 12.094 0.779 6.125 1.00 0.00 C ATOM 561 C ASN A 36 11.290 1.685 5.188 1.00 0.00 C ATOM 562 O ASN A 36 10.943 2.800 5.570 1.00 0.00 O ATOM 563 CB ASN A 36 12.348 -0.625 5.566 1.00 0.00 C ATOM 564 CG ASN A 36 11.048 -1.417 5.365 1.00 0.00 C ATOM 565 OD1 ASN A 36 10.496 -1.461 4.275 1.00 0.00 O ATOM 566 ND2 ASN A 36 10.533 -2.049 6.416 1.00 0.00 N ATOM 0 H ASN A 36 10.657 -0.115 7.298 1.00 0.00 H new ATOM 0 HA ASN A 36 13.062 1.262 6.262 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.873 -0.545 4.614 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.002 -1.171 6.246 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.667 -2.579 6.318 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.004 -2.004 7.320 1.00 0.00 H new ATOM 573 N LYS A 37 10.973 1.221 3.977 1.00 0.00 N ATOM 574 CA LYS A 37 10.250 1.976 2.972 1.00 0.00 C ATOM 575 C LYS A 37 9.785 1.006 1.885 1.00 0.00 C ATOM 576 O LYS A 37 10.322 -0.092 1.764 1.00 0.00 O ATOM 577 CB LYS A 37 11.149 3.093 2.413 1.00 0.00 C ATOM 578 CG LYS A 37 10.315 4.201 1.760 1.00 0.00 C ATOM 579 CD LYS A 37 11.101 5.517 1.691 1.00 0.00 C ATOM 580 CE LYS A 37 10.139 6.695 1.497 1.00 0.00 C ATOM 581 NZ LYS A 37 10.848 7.984 1.554 1.00 0.00 N ATOM 0 H LYS A 37 11.223 0.282 3.668 1.00 0.00 H new ATOM 0 HA LYS A 37 9.373 2.460 3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.752 3.514 3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.840 2.675 1.681 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.022 3.896 0.755 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.397 4.352 2.328 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.677 5.654 2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.815 5.481 0.868 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.633 6.599 0.536 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.368 6.668 2.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.169 8.760 1.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.310 8.085 2.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.567 8.019 0.803 1.00 0.00 H new ATOM 595 N VAL A 38 8.778 1.398 1.107 1.00 0.00 N ATOM 596 CA VAL A 38 8.250 0.621 -0.006 1.00 0.00 C ATOM 597 C VAL A 38 8.834 1.184 -1.303 1.00 0.00 C ATOM 598 O VAL A 38 9.008 2.398 -1.411 1.00 0.00 O ATOM 599 CB VAL A 38 6.710 0.634 0.066 1.00 0.00 C ATOM 600 CG1 VAL A 38 6.121 2.053 0.020 1.00 0.00 C ATOM 601 CG2 VAL A 38 6.047 -0.217 -1.020 1.00 0.00 C ATOM 0 H VAL A 38 8.297 2.287 1.239 1.00 0.00 H new ATOM 0 HA VAL A 38 8.543 -0.428 0.037 1.00 0.00 H new ATOM 0 HB VAL A 38 6.485 0.191 1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.034 1.998 0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.497 2.631 0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.414 2.538 -0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.964 -0.164 -0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.333 0.159 -2.002 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.372 -1.253 -0.920 1.00 0.00 H new ATOM 611 N ILE A 39 9.187 0.319 -2.260 1.00 0.00 N ATOM 612 CA ILE A 39 9.727 0.783 -3.537 1.00 0.00 C ATOM 613 C ILE A 39 8.597 1.356 -4.395 1.00 0.00 C ATOM 614 O ILE A 39 7.419 1.208 -4.070 1.00 0.00 O ATOM 615 CB ILE A 39 10.533 -0.320 -4.256 1.00 0.00 C ATOM 616 CG1 ILE A 39 9.675 -1.447 -4.852 1.00 0.00 C ATOM 617 CG2 ILE A 39 11.554 -0.936 -3.289 1.00 0.00 C ATOM 618 CD1 ILE A 39 9.149 -1.183 -6.267 1.00 0.00 C ATOM 0 H ILE A 39 9.109 -0.694 -2.174 1.00 0.00 H new ATOM 0 HA ILE A 39 10.441 1.585 -3.350 1.00 0.00 H new ATOM 0 HB ILE A 39 11.024 0.177 -5.093 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.265 -2.364 -4.865 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.826 -1.624 -4.192 1.00 0.00 H new ATOM 0 HG21 ILE A 39 12.119 -1.713 -3.803 1.00 0.00 H new ATOM 0 HG22 ILE A 39 12.237 -0.162 -2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 39 11.032 -1.371 -2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.556 -2.035 -6.599 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.528 -0.287 -6.263 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.989 -1.039 -6.946 1.00 0.00 H new ATOM 630 N ARG A 40 8.945 1.987 -5.519 1.00 0.00 N ATOM 631 CA ARG A 40 7.982 2.457 -6.494 1.00 0.00 C ATOM 632 C ARG A 40 8.571 2.311 -7.898 1.00 0.00 C ATOM 633 O ARG A 40 9.792 2.227 -8.027 1.00 0.00 O ATOM 634 CB ARG A 40 7.587 3.913 -6.194 1.00 0.00 C ATOM 635 CG ARG A 40 6.344 3.992 -5.294 1.00 0.00 C ATOM 636 CD ARG A 40 5.661 5.353 -5.467 1.00 0.00 C ATOM 637 NE ARG A 40 4.432 5.443 -4.666 1.00 0.00 N ATOM 638 CZ ARG A 40 3.564 6.466 -4.720 1.00 0.00 C ATOM 639 NH1 ARG A 40 3.784 7.493 -5.548 1.00 0.00 N ATOM 640 NH2 ARG A 40 2.478 6.455 -3.940 1.00 0.00 N ATOM 0 H ARG A 40 9.913 2.183 -5.772 1.00 0.00 H new ATOM 0 HA ARG A 40 7.075 1.855 -6.437 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.420 4.423 -5.710 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.392 4.437 -7.130 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.649 3.192 -5.548 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.629 3.848 -4.252 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.348 6.146 -5.172 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.424 5.511 -6.519 1.00 0.00 H new ATOM 0 HE ARG A 40 4.224 4.677 -4.026 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.614 7.501 -6.141 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.122 8.268 -5.586 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.312 5.672 -3.308 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.816 7.230 -3.977 1.00 0.00 H new ATOM 654 N PRO A 41 7.727 2.307 -8.945 1.00 0.00 N ATOM 655 CA PRO A 41 6.270 2.318 -8.863 1.00 0.00 C ATOM 656 C PRO A 41 5.738 0.949 -8.419 1.00 0.00 C ATOM 657 O PRO A 41 6.470 -0.037 -8.397 1.00 0.00 O ATOM 658 CB PRO A 41 5.798 2.713 -10.262 1.00 0.00 C ATOM 659 CG PRO A 41 6.888 2.144 -11.169 1.00 0.00 C ATOM 660 CD PRO A 41 8.162 2.279 -10.330 1.00 0.00 C ATOM 0 HA PRO A 41 5.895 3.019 -8.117 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.820 2.289 -10.492 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.710 3.794 -10.367 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.689 1.105 -11.431 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.963 2.700 -12.103 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.838 1.443 -10.510 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.704 3.189 -10.587 1.00 0.00 H new ATOM 668 N CYS A 42 4.472 0.920 -8.000 1.00 0.00 N ATOM 669 CA CYS A 42 3.751 -0.272 -7.548 1.00 0.00 C ATOM 670 C CYS A 42 2.677 -0.594 -8.590 1.00 0.00 C ATOM 671 O CYS A 42 2.631 0.067 -9.629 1.00 0.00 O ATOM 672 CB CYS A 42 3.171 0.008 -6.154 1.00 0.00 C ATOM 673 SG CYS A 42 4.482 -0.194 -4.921 1.00 0.00 S ATOM 0 H CYS A 42 3.897 1.761 -7.965 1.00 0.00 H new ATOM 0 HA CYS A 42 4.401 -1.142 -7.458 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.765 1.019 -6.111 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.348 -0.675 -5.944 1.00 0.00 H new ATOM 0 HG CYS A 42 5.386 0.724 -5.094 1.00 0.00 H new ATOM 679 N MET A 43 1.798 -1.573 -8.343 1.00 0.00 N ATOM 680 CA MET A 43 0.775 -1.929 -9.319 1.00 0.00 C ATOM 681 C MET A 43 -0.433 -2.548 -8.610 1.00 0.00 C ATOM 682 O MET A 43 -0.285 -3.150 -7.548 1.00 0.00 O ATOM 683 CB MET A 43 1.412 -2.851 -10.372 1.00 0.00 C ATOM 684 CG MET A 43 0.480 -3.115 -11.555 1.00 0.00 C ATOM 685 SD MET A 43 1.256 -3.750 -13.062 1.00 0.00 S ATOM 686 CE MET A 43 1.920 -5.321 -12.474 1.00 0.00 C ATOM 0 H MET A 43 1.778 -2.124 -7.485 1.00 0.00 H new ATOM 0 HA MET A 43 0.396 -1.049 -9.838 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.336 -2.400 -10.734 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.681 -3.799 -9.906 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.283 -3.826 -11.237 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.033 -2.185 -11.800 1.00 0.00 H new ATOM 0 HE1 MET A 43 2.429 -5.830 -13.293 1.00 0.00 H new ATOM 0 HE2 MET A 43 2.627 -5.137 -11.665 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.105 -5.946 -12.108 1.00 0.00 H new ATOM 696 N LYS A 44 -1.636 -2.380 -9.168 1.00 0.00 N ATOM 697 CA LYS A 44 -2.848 -2.912 -8.529 1.00 0.00 C ATOM 698 C LYS A 44 -3.806 -3.513 -9.545 1.00 0.00 C ATOM 699 O LYS A 44 -3.623 -3.297 -10.740 1.00 0.00 O ATOM 700 CB LYS A 44 -3.530 -1.861 -7.645 1.00 0.00 C ATOM 701 CG LYS A 44 -4.323 -0.785 -8.396 1.00 0.00 C ATOM 702 CD LYS A 44 -5.227 -0.036 -7.410 1.00 0.00 C ATOM 703 CE LYS A 44 -5.762 1.294 -7.960 1.00 0.00 C ATOM 704 NZ LYS A 44 -7.172 1.212 -8.386 1.00 0.00 N ATOM 0 H LYS A 44 -1.798 -1.888 -10.047 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.536 -3.725 -7.873 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.204 -2.371 -6.957 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.768 -1.370 -7.039 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.641 -0.088 -8.882 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.924 -1.243 -9.182 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.069 -0.675 -7.144 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.670 0.157 -6.493 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.663 2.064 -7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.149 1.604 -8.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.510 2.159 -8.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.251 0.574 -9.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.750 0.846 -7.603 1.00 0.00 H new ATOM 718 N LYS A 45 -4.812 -4.265 -9.084 1.00 0.00 N ATOM 719 CA LYS A 45 -5.625 -5.069 -9.981 1.00 0.00 C ATOM 720 C LYS A 45 -6.850 -5.618 -9.263 1.00 0.00 C ATOM 721 O LYS A 45 -6.753 -6.056 -8.121 1.00 0.00 O ATOM 722 CB LYS A 45 -4.747 -6.228 -10.452 1.00 0.00 C ATOM 723 CG LYS A 45 -5.455 -7.270 -11.321 1.00 0.00 C ATOM 724 CD LYS A 45 -5.248 -8.660 -10.726 1.00 0.00 C ATOM 725 CE LYS A 45 -5.595 -9.729 -11.767 1.00 0.00 C ATOM 726 NZ LYS A 45 -5.340 -11.088 -11.258 1.00 0.00 N ATOM 0 H LYS A 45 -5.075 -4.328 -8.101 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.977 -4.464 -10.816 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.906 -5.821 -11.013 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.333 -6.729 -9.577 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.520 -7.044 -11.382 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.064 -7.237 -12.338 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.214 -8.777 -10.403 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.874 -8.784 -9.842 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.644 -9.636 -12.048 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.007 -9.562 -12.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.755 -11.786 -11.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.314 -11.246 -11.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.770 -11.193 -10.317 1.00 0.00 H new ATOM 740 N THR A 46 -7.995 -5.650 -9.949 1.00 0.00 N ATOM 741 CA THR A 46 -9.150 -6.394 -9.479 1.00 0.00 C ATOM 742 C THR A 46 -8.922 -7.885 -9.784 1.00 0.00 C ATOM 743 O THR A 46 -9.083 -8.342 -10.914 1.00 0.00 O ATOM 744 CB THR A 46 -10.442 -5.768 -10.029 1.00 0.00 C ATOM 745 OG1 THR A 46 -11.564 -6.269 -9.338 1.00 0.00 O ATOM 746 CG2 THR A 46 -10.649 -5.964 -11.529 1.00 0.00 C ATOM 0 H THR A 46 -8.140 -5.165 -10.834 1.00 0.00 H new ATOM 0 HA THR A 46 -9.277 -6.333 -8.398 1.00 0.00 H new ATOM 0 HB THR A 46 -10.332 -4.696 -9.867 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.321 -5.658 -9.456 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.583 -5.491 -11.832 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.820 -5.511 -12.073 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.692 -7.030 -11.754 1.00 0.00 H new ATOM 754 N ILE A 47 -8.454 -8.641 -8.788 1.00 0.00 N ATOM 755 CA ILE A 47 -8.230 -10.074 -8.929 1.00 0.00 C ATOM 756 C ILE A 47 -9.559 -10.810 -9.079 1.00 0.00 C ATOM 757 O ILE A 47 -10.526 -10.555 -8.360 1.00 0.00 O ATOM 758 CB ILE A 47 -7.386 -10.658 -7.781 1.00 0.00 C ATOM 759 CG1 ILE A 47 -7.397 -12.202 -7.826 1.00 0.00 C ATOM 760 CG2 ILE A 47 -7.903 -10.172 -6.435 1.00 0.00 C ATOM 761 CD1 ILE A 47 -6.406 -12.837 -6.840 1.00 0.00 C ATOM 0 H ILE A 47 -8.221 -8.274 -7.865 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.648 -10.223 -9.838 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.360 -10.313 -7.907 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.402 -12.560 -7.603 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.158 -12.532 -8.837 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.294 -10.596 -5.637 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.848 -9.084 -6.395 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.938 -10.488 -6.307 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.460 -13.923 -6.918 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.395 -12.506 -7.077 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.659 -12.534 -5.824 1.00 0.00 H new ATOM 773 N TYR A 48 -9.569 -11.769 -10.004 1.00 0.00 N ATOM 774 CA TYR A 48 -10.714 -12.618 -10.263 1.00 0.00 C ATOM 775 C TYR A 48 -10.531 -14.005 -9.666 1.00 0.00 C ATOM 776 O TYR A 48 -9.465 -14.395 -9.191 1.00 0.00 O ATOM 777 CB TYR A 48 -10.899 -12.676 -11.781 1.00 0.00 C ATOM 778 CG TYR A 48 -11.127 -11.334 -12.436 1.00 0.00 C ATOM 779 CD1 TYR A 48 -12.015 -10.418 -11.853 1.00 0.00 C ATOM 780 CD2 TYR A 48 -10.463 -10.999 -13.629 1.00 0.00 C ATOM 781 CE1 TYR A 48 -12.279 -9.190 -12.474 1.00 0.00 C ATOM 782 CE2 TYR A 48 -10.707 -9.759 -14.243 1.00 0.00 C ATOM 783 CZ TYR A 48 -11.620 -8.859 -13.667 1.00 0.00 C ATOM 784 OH TYR A 48 -11.890 -7.669 -14.272 1.00 0.00 O ATOM 0 H TYR A 48 -8.767 -11.975 -10.599 1.00 0.00 H new ATOM 0 HA TYR A 48 -11.605 -12.208 -9.788 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.017 -13.137 -12.224 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -11.745 -13.325 -12.007 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -12.499 -10.661 -10.919 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.766 -11.694 -14.073 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.987 -8.502 -12.036 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.194 -9.498 -15.157 1.00 0.00 H new ATOM 0 HH TYR A 48 -12.138 -7.006 -13.594 1.00 0.00 H new ATOM 794 N GLU A 49 -11.626 -14.755 -9.693 1.00 0.00 N ATOM 795 CA GLU A 49 -11.814 -16.013 -9.013 1.00 0.00 C ATOM 796 C GLU A 49 -11.283 -17.151 -9.868 1.00 0.00 C ATOM 797 O GLU A 49 -12.006 -18.091 -10.201 1.00 0.00 O ATOM 798 CB GLU A 49 -13.296 -16.156 -8.689 1.00 0.00 C ATOM 799 CG GLU A 49 -14.250 -16.149 -9.889 1.00 0.00 C ATOM 800 CD GLU A 49 -14.748 -14.758 -10.240 1.00 0.00 C ATOM 801 OE1 GLU A 49 -14.026 -14.091 -11.016 1.00 0.00 O ATOM 802 OE2 GLU A 49 -15.812 -14.382 -9.709 1.00 0.00 O ATOM 0 H GLU A 49 -12.451 -14.477 -10.225 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.254 -16.046 -8.079 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.440 -17.087 -8.141 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.581 -15.345 -8.019 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.742 -16.576 -10.753 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.104 -16.791 -9.672 1.00 0.00 H new ATOM 809 N ASN A 50 -10.010 -17.034 -10.231 1.00 0.00 N ATOM 810 CA ASN A 50 -9.296 -17.968 -11.096 1.00 0.00 C ATOM 811 C ASN A 50 -9.091 -19.319 -10.399 1.00 0.00 C ATOM 812 O ASN A 50 -7.966 -19.713 -10.106 1.00 0.00 O ATOM 813 CB ASN A 50 -7.965 -17.348 -11.549 1.00 0.00 C ATOM 814 CG ASN A 50 -8.151 -16.282 -12.627 1.00 0.00 C ATOM 815 OD1 ASN A 50 -9.137 -15.553 -12.638 1.00 0.00 O ATOM 816 ND2 ASN A 50 -7.203 -16.184 -13.556 1.00 0.00 N ATOM 0 H ASN A 50 -9.425 -16.258 -9.920 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.899 -18.160 -11.984 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.463 -16.906 -10.689 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.313 -18.134 -11.929 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.287 -15.491 -14.299 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.392 -16.802 -13.525 1.00 0.00 H new ATOM 823 N GLU A 51 -10.196 -20.029 -10.152 1.00 0.00 N ATOM 824 CA GLU A 51 -10.285 -21.343 -9.551 1.00 0.00 C ATOM 825 C GLU A 51 -11.720 -21.867 -9.737 1.00 0.00 C ATOM 826 O GLU A 51 -12.315 -22.410 -8.813 1.00 0.00 O ATOM 827 CB GLU A 51 -9.860 -21.269 -8.071 1.00 0.00 C ATOM 828 CG GLU A 51 -9.487 -22.636 -7.479 1.00 0.00 C ATOM 829 CD GLU A 51 -8.231 -23.215 -8.125 1.00 0.00 C ATOM 830 OE1 GLU A 51 -7.131 -22.786 -7.712 1.00 0.00 O ATOM 831 OE2 GLU A 51 -8.393 -24.072 -9.020 1.00 0.00 O ATOM 0 H GLU A 51 -11.118 -19.662 -10.389 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.606 -22.045 -10.035 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.008 -20.595 -7.978 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.673 -20.837 -7.487 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.329 -22.535 -6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.317 -23.329 -7.615 1.00 0.00 H new ATOM 838 N GLY A 52 -12.277 -21.679 -10.941 1.00 0.00 N ATOM 839 CA GLY A 52 -13.565 -22.225 -11.358 1.00 0.00 C ATOM 840 C GLY A 52 -14.686 -21.989 -10.349 1.00 0.00 C ATOM 841 O GLY A 52 -15.256 -22.937 -9.812 1.00 0.00 O ATOM 0 H GLY A 52 -11.826 -21.126 -11.670 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.847 -21.780 -12.312 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.458 -23.297 -11.526 1.00 0.00 H new ATOM 845 N PHE A 53 -15.020 -20.721 -10.104 1.00 0.00 N ATOM 846 CA PHE A 53 -16.068 -20.339 -9.168 1.00 0.00 C ATOM 847 C PHE A 53 -16.627 -18.972 -9.575 1.00 0.00 C ATOM 848 O PHE A 53 -16.394 -18.546 -10.706 1.00 0.00 O ATOM 849 CB PHE A 53 -15.483 -20.370 -7.745 1.00 0.00 C ATOM 850 CG PHE A 53 -16.502 -20.579 -6.643 1.00 0.00 C ATOM 851 CD1 PHE A 53 -17.274 -21.755 -6.626 1.00 0.00 C ATOM 852 CD2 PHE A 53 -16.600 -19.666 -5.579 1.00 0.00 C ATOM 853 CE1 PHE A 53 -18.190 -21.983 -5.585 1.00 0.00 C ATOM 854 CE2 PHE A 53 -17.516 -19.893 -4.537 1.00 0.00 C ATOM 855 CZ PHE A 53 -18.318 -21.047 -4.546 1.00 0.00 C ATOM 0 H PHE A 53 -14.565 -19.927 -10.555 1.00 0.00 H new ATOM 0 HA PHE A 53 -16.907 -21.035 -9.187 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -14.741 -21.166 -7.690 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -14.959 -19.432 -7.562 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -17.162 -22.484 -7.415 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -15.971 -18.789 -5.562 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -18.795 -22.878 -5.584 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -17.603 -19.181 -3.730 1.00 0.00 H new ATOM 0 HZ PHE A 53 -19.033 -21.214 -3.754 1.00 0.00 H new ATOM 865 N ARG A 54 -17.336 -18.273 -8.677 1.00 0.00 N ATOM 866 CA ARG A 54 -17.857 -16.929 -8.940 1.00 0.00 C ATOM 867 C ARG A 54 -17.790 -16.042 -7.688 1.00 0.00 C ATOM 868 O ARG A 54 -18.769 -15.394 -7.325 1.00 0.00 O ATOM 869 CB ARG A 54 -19.272 -17.000 -9.538 1.00 0.00 C ATOM 870 CG ARG A 54 -19.605 -15.715 -10.324 1.00 0.00 C ATOM 871 CD ARG A 54 -19.626 -15.912 -11.852 1.00 0.00 C ATOM 872 NE ARG A 54 -20.970 -15.666 -12.397 1.00 0.00 N ATOM 873 CZ ARG A 54 -21.394 -15.997 -13.626 1.00 0.00 C ATOM 874 NH1 ARG A 54 -20.594 -16.653 -14.474 1.00 0.00 N ATOM 875 NH2 ARG A 54 -22.632 -15.661 -14.001 1.00 0.00 N ATOM 0 H ARG A 54 -17.563 -18.626 -7.748 1.00 0.00 H new ATOM 0 HA ARG A 54 -17.217 -16.455 -9.684 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -19.349 -17.864 -10.198 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -20.001 -17.142 -8.740 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -20.578 -15.344 -10.001 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -18.872 -14.947 -10.075 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -18.911 -15.235 -12.319 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -19.311 -16.927 -12.096 1.00 0.00 H new ATOM 0 HE ARG A 54 -21.641 -15.201 -11.785 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -19.648 -16.908 -14.189 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -20.930 -16.898 -15.405 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -23.242 -15.159 -13.356 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -22.967 -15.907 -14.933 1.00 0.00 H new ATOM 889 N GLU A 55 -16.631 -16.019 -7.022 1.00 0.00 N ATOM 890 CA GLU A 55 -16.383 -15.232 -5.818 1.00 0.00 C ATOM 891 C GLU A 55 -15.038 -14.510 -5.977 1.00 0.00 C ATOM 892 O GLU A 55 -14.005 -15.013 -5.544 1.00 0.00 O ATOM 893 CB GLU A 55 -16.429 -16.184 -4.611 1.00 0.00 C ATOM 894 CG GLU A 55 -16.751 -15.502 -3.273 1.00 0.00 C ATOM 895 CD GLU A 55 -15.648 -14.564 -2.794 1.00 0.00 C ATOM 896 OE1 GLU A 55 -14.589 -15.089 -2.390 1.00 0.00 O ATOM 897 OE2 GLU A 55 -15.900 -13.339 -2.827 1.00 0.00 O ATOM 0 H GLU A 55 -15.820 -16.563 -7.317 1.00 0.00 H new ATOM 0 HA GLU A 55 -17.139 -14.463 -5.657 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -17.176 -16.955 -4.801 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.466 -16.688 -4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -17.679 -14.939 -3.374 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.923 -16.267 -2.515 1.00 0.00 H new ATOM 904 N ILE A 56 -15.043 -13.363 -6.663 1.00 0.00 N ATOM 905 CA ILE A 56 -13.866 -12.530 -6.871 1.00 0.00 C ATOM 906 C ILE A 56 -13.171 -12.199 -5.541 1.00 0.00 C ATOM 907 O ILE A 56 -13.836 -11.944 -4.541 1.00 0.00 O ATOM 908 CB ILE A 56 -14.247 -11.243 -7.628 1.00 0.00 C ATOM 909 CG1 ILE A 56 -15.087 -10.243 -6.833 1.00 0.00 C ATOM 910 CG2 ILE A 56 -14.910 -11.493 -8.983 1.00 0.00 C ATOM 911 CD1 ILE A 56 -16.418 -10.733 -6.244 1.00 0.00 C ATOM 0 H ILE A 56 -15.885 -12.984 -7.096 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.157 -13.093 -7.479 1.00 0.00 H new ATOM 0 HB ILE A 56 -13.271 -10.786 -7.794 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -14.475 -9.870 -6.012 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -15.301 -9.394 -7.483 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -15.148 -10.539 -9.453 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -14.229 -12.053 -9.623 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -15.827 -12.065 -8.840 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -16.902 -9.916 -5.708 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -17.069 -11.074 -7.049 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -16.230 -11.557 -5.556 1.00 0.00 H new ATOM 923 N LYS A 57 -11.834 -12.148 -5.536 1.00 0.00 N ATOM 924 CA LYS A 57 -11.045 -11.867 -4.338 1.00 0.00 C ATOM 925 C LYS A 57 -10.785 -10.358 -4.150 1.00 0.00 C ATOM 926 O LYS A 57 -9.909 -9.966 -3.373 1.00 0.00 O ATOM 927 CB LYS A 57 -9.760 -12.712 -4.339 1.00 0.00 C ATOM 928 CG LYS A 57 -9.311 -13.071 -2.912 1.00 0.00 C ATOM 929 CD LYS A 57 -9.993 -14.339 -2.370 1.00 0.00 C ATOM 930 CE LYS A 57 -9.365 -15.609 -2.961 1.00 0.00 C ATOM 931 NZ LYS A 57 -9.868 -16.823 -2.296 1.00 0.00 N ATOM 0 H LYS A 57 -11.268 -12.302 -6.371 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.626 -12.163 -3.464 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.927 -13.626 -4.908 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.965 -12.163 -4.843 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.230 -13.213 -2.902 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.529 -12.235 -2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.910 -14.362 -1.283 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.056 -14.312 -2.608 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.583 -15.661 -4.028 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.281 -15.561 -2.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.422 -17.661 -2.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.638 -16.784 -1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.900 -16.882 -2.415 1.00 0.00 H new ATOM 945 N GLY A 58 -11.523 -9.515 -4.883 1.00 0.00 N ATOM 946 CA GLY A 58 -11.553 -8.077 -4.678 1.00 0.00 C ATOM 947 C GLY A 58 -10.451 -7.326 -5.412 1.00 0.00 C ATOM 948 O GLY A 58 -9.825 -7.829 -6.342 1.00 0.00 O ATOM 0 H GLY A 58 -12.123 -9.827 -5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.520 -7.694 -5.004 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.471 -7.870 -3.611 1.00 0.00 H new ATOM 952 N TYR A 59 -10.238 -6.078 -4.998 1.00 0.00 N ATOM 953 CA TYR A 59 -9.079 -5.314 -5.405 1.00 0.00 C ATOM 954 C TYR A 59 -7.878 -5.839 -4.637 1.00 0.00 C ATOM 955 O TYR A 59 -7.943 -5.922 -3.414 1.00 0.00 O ATOM 956 CB TYR A 59 -9.294 -3.817 -5.128 1.00 0.00 C ATOM 957 CG TYR A 59 -9.791 -3.047 -6.331 1.00 0.00 C ATOM 958 CD1 TYR A 59 -8.997 -3.026 -7.488 1.00 0.00 C ATOM 959 CD2 TYR A 59 -11.003 -2.333 -6.299 1.00 0.00 C ATOM 960 CE1 TYR A 59 -9.416 -2.316 -8.622 1.00 0.00 C ATOM 961 CE2 TYR A 59 -11.417 -1.608 -7.431 1.00 0.00 C ATOM 962 CZ TYR A 59 -10.622 -1.599 -8.593 1.00 0.00 C ATOM 963 OH TYR A 59 -11.024 -0.908 -9.696 1.00 0.00 O ATOM 0 H TYR A 59 -10.868 -5.576 -4.372 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.912 -5.425 -6.476 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.010 -3.705 -4.314 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.355 -3.380 -4.789 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.058 -3.560 -7.505 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.613 -2.342 -5.408 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.811 -2.321 -9.517 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -12.346 -1.058 -7.409 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.880 -0.467 -9.512 1.00 0.00 H new ATOM 973 N GLU A 60 -6.805 -6.194 -5.343 1.00 0.00 N ATOM 974 CA GLU A 60 -5.508 -6.436 -4.765 1.00 0.00 C ATOM 975 C GLU A 60 -4.612 -5.255 -5.120 1.00 0.00 C ATOM 976 O GLU A 60 -4.583 -4.814 -6.270 1.00 0.00 O ATOM 977 CB GLU A 60 -4.877 -7.730 -5.285 1.00 0.00 C ATOM 978 CG GLU A 60 -4.989 -8.872 -4.266 1.00 0.00 C ATOM 979 CD GLU A 60 -4.089 -10.050 -4.627 1.00 0.00 C ATOM 980 OE1 GLU A 60 -4.014 -10.363 -5.835 1.00 0.00 O ATOM 981 OE2 GLU A 60 -3.477 -10.608 -3.689 1.00 0.00 O ATOM 0 H GLU A 60 -6.827 -6.321 -6.355 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.618 -6.544 -3.686 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.365 -8.024 -6.214 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.827 -7.553 -5.518 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.722 -8.502 -3.276 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.024 -9.210 -4.212 1.00 0.00 H new ATOM 988 N TYR A 61 -3.856 -4.791 -4.130 1.00 0.00 N ATOM 989 CA TYR A 61 -2.743 -3.874 -4.307 1.00 0.00 C ATOM 990 C TYR A 61 -1.496 -4.735 -4.185 1.00 0.00 C ATOM 991 O TYR A 61 -1.321 -5.342 -3.130 1.00 0.00 O ATOM 992 CB TYR A 61 -2.751 -2.806 -3.207 1.00 0.00 C ATOM 993 CG TYR A 61 -4.021 -1.988 -3.154 1.00 0.00 C ATOM 994 CD1 TYR A 61 -4.144 -0.815 -3.922 1.00 0.00 C ATOM 995 CD2 TYR A 61 -5.062 -2.365 -2.289 1.00 0.00 C ATOM 996 CE1 TYR A 61 -5.357 -0.104 -3.924 1.00 0.00 C ATOM 997 CE2 TYR A 61 -6.289 -1.688 -2.341 1.00 0.00 C ATOM 998 CZ TYR A 61 -6.461 -0.605 -3.219 1.00 0.00 C ATOM 999 OH TYR A 61 -7.693 -0.066 -3.428 1.00 0.00 O ATOM 0 H TYR A 61 -4.008 -5.052 -3.156 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.794 -3.353 -5.263 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.603 -3.291 -2.242 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.905 -2.136 -3.359 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.309 -0.462 -4.508 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -4.918 -3.173 -1.587 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -5.438 0.826 -4.467 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.104 -2.000 -1.704 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.381 -0.693 -3.121 1.00 0.00 H new ATOM 1009 N GLN A 62 -0.663 -4.815 -5.229 1.00 0.00 N ATOM 1010 CA GLN A 62 0.636 -5.463 -5.147 1.00 0.00 C ATOM 1011 C GLN A 62 1.670 -4.368 -4.915 1.00 0.00 C ATOM 1012 O GLN A 62 1.808 -3.451 -5.729 1.00 0.00 O ATOM 1013 CB GLN A 62 0.899 -6.279 -6.422 1.00 0.00 C ATOM 1014 CG GLN A 62 2.254 -7.007 -6.398 1.00 0.00 C ATOM 1015 CD GLN A 62 3.409 -6.117 -6.850 1.00 0.00 C ATOM 1016 OE1 GLN A 62 4.199 -5.651 -6.037 1.00 0.00 O ATOM 1017 NE2 GLN A 62 3.522 -5.877 -8.153 1.00 0.00 N ATOM 0 H GLN A 62 -0.877 -4.431 -6.149 1.00 0.00 H new ATOM 0 HA GLN A 62 0.685 -6.174 -4.322 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.101 -7.011 -6.550 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.864 -5.615 -7.286 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.451 -7.366 -5.388 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.202 -7.884 -7.043 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.849 -6.279 -8.806 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.282 -5.291 -8.500 1.00 0.00 H new ATOM 1026 N LEU A 63 2.389 -4.455 -3.797 1.00 0.00 N ATOM 1027 CA LEU A 63 3.436 -3.516 -3.473 1.00 0.00 C ATOM 1028 C LEU A 63 4.624 -4.264 -2.871 1.00 0.00 C ATOM 1029 O LEU A 63 4.498 -5.399 -2.404 1.00 0.00 O ATOM 1030 CB LEU A 63 2.871 -2.339 -2.658 1.00 0.00 C ATOM 1031 CG LEU A 63 2.088 -2.687 -1.381 1.00 0.00 C ATOM 1032 CD1 LEU A 63 3.036 -2.923 -0.203 1.00 0.00 C ATOM 1033 CD2 LEU A 63 1.146 -1.533 -1.018 1.00 0.00 C ATOM 0 H LEU A 63 2.254 -5.183 -3.096 1.00 0.00 H new ATOM 0 HA LEU A 63 3.838 -3.037 -4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.701 -1.690 -2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.217 -1.759 -3.309 1.00 0.00 H new ATOM 0 HG LEU A 63 1.521 -3.597 -1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.456 -3.167 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.708 -3.749 -0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.620 -2.021 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.594 -1.785 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.729 -0.628 -0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.445 -1.365 -1.835 1.00 0.00 H new ATOM 1045 N TYR A 64 5.792 -3.628 -2.955 1.00 0.00 N ATOM 1046 CA TYR A 64 7.085 -4.242 -2.718 1.00 0.00 C ATOM 1047 C TYR A 64 7.803 -3.507 -1.586 1.00 0.00 C ATOM 1048 O TYR A 64 8.335 -2.410 -1.777 1.00 0.00 O ATOM 1049 CB TYR A 64 7.853 -4.198 -4.048 1.00 0.00 C ATOM 1050 CG TYR A 64 7.789 -5.480 -4.854 1.00 0.00 C ATOM 1051 CD1 TYR A 64 8.300 -6.673 -4.307 1.00 0.00 C ATOM 1052 CD2 TYR A 64 7.273 -5.479 -6.163 1.00 0.00 C ATOM 1053 CE1 TYR A 64 8.297 -7.853 -5.064 1.00 0.00 C ATOM 1054 CE2 TYR A 64 7.249 -6.668 -6.913 1.00 0.00 C ATOM 1055 CZ TYR A 64 7.750 -7.858 -6.357 1.00 0.00 C ATOM 1056 OH TYR A 64 7.691 -9.025 -7.059 1.00 0.00 O ATOM 0 H TYR A 64 5.859 -2.640 -3.198 1.00 0.00 H new ATOM 0 HA TYR A 64 6.998 -5.280 -2.397 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.458 -3.383 -4.654 1.00 0.00 H new ATOM 0 HB3 TYR A 64 8.898 -3.965 -3.842 1.00 0.00 H new ATOM 0 HD1 TYR A 64 8.695 -6.679 -3.302 1.00 0.00 H new ATOM 0 HD2 TYR A 64 6.895 -4.563 -6.592 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.716 -8.759 -4.652 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.846 -6.667 -7.915 1.00 0.00 H new ATOM 0 HH TYR A 64 7.284 -8.859 -7.935 1.00 0.00 H new ATOM 1066 N VAL A 65 7.786 -4.103 -0.392 1.00 0.00 N ATOM 1067 CA VAL A 65 8.281 -3.485 0.830 1.00 0.00 C ATOM 1068 C VAL A 65 9.775 -3.802 0.967 1.00 0.00 C ATOM 1069 O VAL A 65 10.151 -4.975 0.951 1.00 0.00 O ATOM 1070 CB VAL A 65 7.456 -4.005 2.016 1.00 0.00 C ATOM 1071 CG1 VAL A 65 7.986 -3.442 3.334 1.00 0.00 C ATOM 1072 CG2 VAL A 65 5.983 -3.603 1.862 1.00 0.00 C ATOM 0 H VAL A 65 7.421 -5.045 -0.250 1.00 0.00 H new ATOM 0 HA VAL A 65 8.172 -2.401 0.805 1.00 0.00 H new ATOM 0 HB VAL A 65 7.541 -5.092 2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.386 -3.824 4.160 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.024 -3.746 3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.926 -2.354 3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.412 -3.980 2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.904 -2.516 1.825 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.585 -4.027 0.940 1.00 0.00 H new ATOM 1082 N TYR A 66 10.624 -2.777 1.094 1.00 0.00 N ATOM 1083 CA TYR A 66 12.075 -2.914 1.085 1.00 0.00 C ATOM 1084 C TYR A 66 12.611 -3.036 2.511 1.00 0.00 C ATOM 1085 O TYR A 66 13.404 -2.217 2.971 1.00 0.00 O ATOM 1086 CB TYR A 66 12.698 -1.717 0.349 1.00 0.00 C ATOM 1087 CG TYR A 66 14.131 -1.912 -0.110 1.00 0.00 C ATOM 1088 CD1 TYR A 66 14.491 -3.086 -0.792 1.00 0.00 C ATOM 1089 CD2 TYR A 66 15.102 -0.920 0.117 1.00 0.00 C ATOM 1090 CE1 TYR A 66 15.828 -3.321 -1.152 1.00 0.00 C ATOM 1091 CE2 TYR A 66 16.420 -1.111 -0.334 1.00 0.00 C ATOM 1092 CZ TYR A 66 16.787 -2.318 -0.951 1.00 0.00 C ATOM 1093 OH TYR A 66 18.064 -2.496 -1.389 1.00 0.00 O ATOM 0 H TYR A 66 10.311 -1.813 1.208 1.00 0.00 H new ATOM 0 HA TYR A 66 12.350 -3.826 0.555 1.00 0.00 H new ATOM 0 HB2 TYR A 66 12.083 -1.487 -0.521 1.00 0.00 H new ATOM 0 HB3 TYR A 66 12.659 -0.848 1.006 1.00 0.00 H new ATOM 0 HD1 TYR A 66 13.733 -3.814 -1.042 1.00 0.00 H new ATOM 0 HD2 TYR A 66 14.835 -0.012 0.637 1.00 0.00 H new ATOM 0 HE1 TYR A 66 16.116 -4.269 -1.581 1.00 0.00 H new ATOM 0 HE2 TYR A 66 17.152 -0.327 -0.206 1.00 0.00 H new ATOM 0 HH TYR A 66 18.541 -3.090 -0.773 1.00 0.00 H new ATOM 1103 N ALA A 67 12.166 -4.061 3.229 1.00 0.00 N ATOM 1104 CA ALA A 67 12.478 -4.220 4.640 1.00 0.00 C ATOM 1105 C ALA A 67 13.736 -5.059 4.770 1.00 0.00 C ATOM 1106 O ALA A 67 14.046 -5.808 3.855 1.00 0.00 O ATOM 1107 CB ALA A 67 11.291 -4.850 5.354 1.00 0.00 C ATOM 0 H ALA A 67 11.579 -4.803 2.848 1.00 0.00 H new ATOM 0 HA ALA A 67 12.665 -3.254 5.108 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.524 -4.969 6.412 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.418 -4.207 5.245 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.079 -5.826 4.917 1.00 0.00 H new ATOM 1113 N SER A 68 14.485 -4.903 5.866 1.00 0.00 N ATOM 1114 CA SER A 68 15.765 -5.581 6.073 1.00 0.00 C ATOM 1115 C SER A 68 16.686 -5.655 4.840 1.00 0.00 C ATOM 1116 O SER A 68 17.475 -6.589 4.732 1.00 0.00 O ATOM 1117 CB SER A 68 15.567 -6.947 6.749 1.00 0.00 C ATOM 1118 OG SER A 68 14.620 -7.759 6.094 1.00 0.00 O ATOM 0 H SER A 68 14.216 -4.297 6.641 1.00 0.00 H new ATOM 0 HA SER A 68 16.318 -4.936 6.756 1.00 0.00 H new ATOM 0 HB2 SER A 68 16.523 -7.470 6.783 1.00 0.00 H new ATOM 0 HB3 SER A 68 15.251 -6.792 7.781 1.00 0.00 H new ATOM 0 HG SER A 68 14.538 -8.613 6.568 1.00 0.00 H new ATOM 1124 N ASP A 69 16.628 -4.666 3.939 1.00 0.00 N ATOM 1125 CA ASP A 69 17.356 -4.670 2.670 1.00 0.00 C ATOM 1126 C ASP A 69 17.015 -5.910 1.818 1.00 0.00 C ATOM 1127 O ASP A 69 17.882 -6.488 1.166 1.00 0.00 O ATOM 1128 CB ASP A 69 18.863 -4.503 2.934 1.00 0.00 C ATOM 1129 CG ASP A 69 19.697 -4.391 1.658 1.00 0.00 C ATOM 1130 OD1 ASP A 69 19.188 -3.795 0.683 1.00 0.00 O ATOM 1131 OD2 ASP A 69 20.841 -4.896 1.687 1.00 0.00 O ATOM 0 H ASP A 69 16.063 -3.828 4.077 1.00 0.00 H new ATOM 0 HA ASP A 69 17.035 -3.818 2.071 1.00 0.00 H new ATOM 0 HB2 ASP A 69 19.021 -3.612 3.541 1.00 0.00 H new ATOM 0 HB3 ASP A 69 19.218 -5.353 3.517 1.00 0.00 H new ATOM 1136 N LYS A 70 15.742 -6.313 1.807 1.00 0.00 N ATOM 1137 CA LYS A 70 15.195 -7.418 1.035 1.00 0.00 C ATOM 1138 C LYS A 70 13.851 -6.940 0.483 1.00 0.00 C ATOM 1139 O LYS A 70 13.236 -6.050 1.070 1.00 0.00 O ATOM 1140 CB LYS A 70 14.965 -8.640 1.943 1.00 0.00 C ATOM 1141 CG LYS A 70 16.165 -9.584 2.104 1.00 0.00 C ATOM 1142 CD LYS A 70 17.093 -9.166 3.250 1.00 0.00 C ATOM 1143 CE LYS A 70 18.015 -10.305 3.698 1.00 0.00 C ATOM 1144 NZ LYS A 70 17.272 -11.364 4.406 1.00 0.00 N ATOM 0 H LYS A 70 15.030 -5.847 2.370 1.00 0.00 H new ATOM 0 HA LYS A 70 15.879 -7.710 0.238 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.670 -8.286 2.931 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.127 -9.212 1.546 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.804 -10.597 2.284 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.731 -9.608 1.173 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.697 -8.316 2.933 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.493 -8.833 4.097 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.515 -10.731 2.828 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.793 -9.908 4.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.940 -11.970 4.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.606 -10.931 5.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.745 -11.938 3.717 1.00 0.00 H new ATOM 1158 N LEU A 71 13.383 -7.523 -0.627 1.00 0.00 N ATOM 1159 CA LEU A 71 12.052 -7.230 -1.133 1.00 0.00 C ATOM 1160 C LEU A 71 11.083 -8.231 -0.517 1.00 0.00 C ATOM 1161 O LEU A 71 11.163 -9.430 -0.764 1.00 0.00 O ATOM 1162 CB LEU A 71 12.001 -7.262 -2.671 1.00 0.00 C ATOM 1163 CG LEU A 71 12.360 -5.929 -3.348 1.00 0.00 C ATOM 1164 CD1 LEU A 71 11.463 -4.774 -2.891 1.00 0.00 C ATOM 1165 CD2 LEU A 71 13.842 -5.589 -3.209 1.00 0.00 C ATOM 0 H LEU A 71 13.909 -8.196 -1.184 1.00 0.00 H new ATOM 0 HA LEU A 71 11.768 -6.217 -0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.684 -8.032 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.999 -7.555 -2.983 1.00 0.00 H new ATOM 0 HG LEU A 71 12.166 -6.069 -4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.761 -3.858 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.425 -5.002 -3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 71 11.564 -4.639 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.045 -4.639 -3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 71 14.100 -5.511 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 71 14.440 -6.374 -3.672 1.00 0.00 H new ATOM 1177 N PHE A 72 10.148 -7.736 0.283 1.00 0.00 N ATOM 1178 CA PHE A 72 9.035 -8.513 0.775 1.00 0.00 C ATOM 1179 C PHE A 72 7.850 -8.179 -0.122 1.00 0.00 C ATOM 1180 O PHE A 72 7.447 -7.014 -0.206 1.00 0.00 O ATOM 1181 CB PHE A 72 8.813 -8.151 2.240 1.00 0.00 C ATOM 1182 CG PHE A 72 9.893 -8.704 3.144 1.00 0.00 C ATOM 1183 CD1 PHE A 72 11.028 -7.925 3.392 1.00 0.00 C ATOM 1184 CD2 PHE A 72 9.823 -10.020 3.635 1.00 0.00 C ATOM 1185 CE1 PHE A 72 12.059 -8.415 4.211 1.00 0.00 C ATOM 1186 CE2 PHE A 72 10.871 -10.528 4.425 1.00 0.00 C ATOM 1187 CZ PHE A 72 11.986 -9.724 4.717 1.00 0.00 C ATOM 0 H PHE A 72 10.148 -6.769 0.609 1.00 0.00 H new ATOM 0 HA PHE A 72 9.200 -9.590 0.742 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.779 -7.066 2.342 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.844 -8.532 2.562 1.00 0.00 H new ATOM 0 HD1 PHE A 72 11.112 -6.942 2.952 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.968 -10.639 3.407 1.00 0.00 H new ATOM 0 HE1 PHE A 72 12.905 -7.788 4.451 1.00 0.00 H new ATOM 0 HE2 PHE A 72 10.818 -11.537 4.807 1.00 0.00 H new ATOM 0 HZ PHE A 72 12.786 -10.112 5.330 1.00 0.00 H new ATOM 1197 N ARG A 73 7.321 -9.190 -0.819 1.00 0.00 N ATOM 1198 CA ARG A 73 6.109 -9.032 -1.595 1.00 0.00 C ATOM 1199 C ARG A 73 5.007 -8.809 -0.575 1.00 0.00 C ATOM 1200 O ARG A 73 4.858 -9.635 0.323 1.00 0.00 O ATOM 1201 CB ARG A 73 5.825 -10.292 -2.435 1.00 0.00 C ATOM 1202 CG ARG A 73 5.436 -9.915 -3.868 1.00 0.00 C ATOM 1203 CD ARG A 73 4.931 -11.133 -4.650 1.00 0.00 C ATOM 1204 NE ARG A 73 3.473 -11.275 -4.539 1.00 0.00 N ATOM 1205 CZ ARG A 73 2.756 -12.238 -5.136 1.00 0.00 C ATOM 1206 NH1 ARG A 73 3.368 -13.281 -5.707 1.00 0.00 N ATOM 1207 NH2 ARG A 73 1.423 -12.142 -5.166 1.00 0.00 N ATOM 0 H ARG A 73 7.723 -10.127 -0.855 1.00 0.00 H new ATOM 0 HA ARG A 73 6.187 -8.203 -2.299 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.708 -10.931 -2.449 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.022 -10.868 -1.975 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.662 -9.148 -3.846 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.297 -9.484 -4.379 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.210 -11.035 -5.699 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.415 -12.034 -4.275 1.00 0.00 H new ATOM 0 HE ARG A 73 2.972 -10.594 -3.969 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.386 -13.347 -5.690 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.817 -14.010 -6.160 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.960 -11.341 -4.737 1.00 0.00 H new ATOM 0 HH22 ARG A 73 0.869 -12.870 -5.618 1.00 0.00 H new ATOM 1221 N ALA A 74 4.269 -7.704 -0.647 1.00 0.00 N ATOM 1222 CA ALA A 74 3.200 -7.465 0.297 1.00 0.00 C ATOM 1223 C ALA A 74 1.960 -7.083 -0.506 1.00 0.00 C ATOM 1224 O ALA A 74 1.904 -6.002 -1.089 1.00 0.00 O ATOM 1225 CB ALA A 74 3.660 -6.452 1.348 1.00 0.00 C ATOM 0 H ALA A 74 4.396 -6.971 -1.345 1.00 0.00 H new ATOM 0 HA ALA A 74 2.932 -8.347 0.878 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.853 -6.273 2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.528 -6.845 1.877 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.927 -5.515 0.858 1.00 0.00 H new ATOM 1231 N ASP A 75 0.998 -8.008 -0.595 1.00 0.00 N ATOM 1232 CA ASP A 75 -0.210 -7.850 -1.385 1.00 0.00 C ATOM 1233 C ASP A 75 -1.361 -7.630 -0.413 1.00 0.00 C ATOM 1234 O ASP A 75 -1.444 -8.336 0.587 1.00 0.00 O ATOM 1235 CB ASP A 75 -0.457 -9.099 -2.240 1.00 0.00 C ATOM 1236 CG ASP A 75 0.523 -9.218 -3.403 1.00 0.00 C ATOM 1237 OD1 ASP A 75 1.721 -9.458 -3.132 1.00 0.00 O ATOM 1238 OD2 ASP A 75 0.060 -9.096 -4.557 1.00 0.00 O ATOM 0 H ASP A 75 1.046 -8.902 -0.107 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.117 -7.003 -2.065 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.378 -9.986 -1.612 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.475 -9.073 -2.629 1.00 0.00 H new ATOM 1243 N ILE A 76 -2.243 -6.665 -0.671 1.00 0.00 N ATOM 1244 CA ILE A 76 -3.404 -6.438 0.183 1.00 0.00 C ATOM 1245 C ILE A 76 -4.651 -6.605 -0.666 1.00 0.00 C ATOM 1246 O ILE A 76 -4.805 -5.872 -1.640 1.00 0.00 O ATOM 1247 CB ILE A 76 -3.333 -5.063 0.873 1.00 0.00 C ATOM 1248 CG1 ILE A 76 -2.106 -5.010 1.808 1.00 0.00 C ATOM 1249 CG2 ILE A 76 -4.634 -4.839 1.665 1.00 0.00 C ATOM 1250 CD1 ILE A 76 -0.882 -4.374 1.135 1.00 0.00 C ATOM 0 H ILE A 76 -2.174 -6.029 -1.465 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.428 -7.167 0.993 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.226 -4.274 0.129 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.360 -4.443 2.704 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.855 -6.020 2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.597 -3.868 2.159 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.484 -4.867 0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.744 -5.623 2.414 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.047 -4.361 1.836 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.608 -4.955 0.254 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.120 -3.353 0.836 1.00 0.00 H new ATOM 1262 N SER A 77 -5.509 -7.563 -0.293 1.00 0.00 N ATOM 1263 CA SER A 77 -6.794 -7.816 -0.934 1.00 0.00 C ATOM 1264 C SER A 77 -7.848 -6.936 -0.273 1.00 0.00 C ATOM 1265 O SER A 77 -7.705 -6.589 0.898 1.00 0.00 O ATOM 1266 CB SER A 77 -7.194 -9.299 -0.789 1.00 0.00 C ATOM 1267 OG SER A 77 -7.092 -9.994 -2.017 1.00 0.00 O ATOM 0 H SER A 77 -5.319 -8.197 0.483 1.00 0.00 H new ATOM 0 HA SER A 77 -6.718 -7.585 -1.997 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.554 -9.777 -0.047 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.217 -9.365 -0.418 1.00 0.00 H new ATOM 0 HG SER A 77 -7.961 -9.987 -2.470 1.00 0.00 H new ATOM 1273 N GLU A 78 -8.918 -6.628 -1.001 1.00 0.00 N ATOM 1274 CA GLU A 78 -10.102 -5.965 -0.498 1.00 0.00 C ATOM 1275 C GLU A 78 -11.327 -6.865 -0.622 1.00 0.00 C ATOM 1276 O GLU A 78 -11.272 -7.924 -1.239 1.00 0.00 O ATOM 1277 CB GLU A 78 -10.316 -4.658 -1.270 1.00 0.00 C ATOM 1278 CG GLU A 78 -9.183 -3.667 -1.007 1.00 0.00 C ATOM 1279 CD GLU A 78 -9.679 -2.243 -1.218 1.00 0.00 C ATOM 1280 OE1 GLU A 78 -10.189 -1.667 -0.238 1.00 0.00 O ATOM 1281 OE2 GLU A 78 -9.550 -1.753 -2.365 1.00 0.00 O ATOM 0 H GLU A 78 -8.979 -6.845 -1.996 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.961 -5.743 0.560 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.377 -4.869 -2.338 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -11.267 -4.212 -0.979 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.814 -3.785 0.012 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.346 -3.872 -1.675 1.00 0.00 H new ATOM 1288 N ASP A 79 -12.446 -6.416 -0.051 1.00 0.00 N ATOM 1289 CA ASP A 79 -13.752 -7.021 -0.267 1.00 0.00 C ATOM 1290 C ASP A 79 -14.485 -6.228 -1.351 1.00 0.00 C ATOM 1291 O ASP A 79 -14.975 -5.136 -1.068 1.00 0.00 O ATOM 1292 CB ASP A 79 -14.549 -7.032 1.043 1.00 0.00 C ATOM 1293 CG ASP A 79 -15.896 -7.741 0.904 1.00 0.00 C ATOM 1294 OD1 ASP A 79 -16.221 -8.172 -0.225 1.00 0.00 O ATOM 1295 OD2 ASP A 79 -16.588 -7.826 1.941 1.00 0.00 O ATOM 0 H ASP A 79 -12.466 -5.614 0.579 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.639 -8.054 -0.595 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.961 -7.525 1.818 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -14.714 -6.006 1.372 1.00 0.00 H new ATOM 1300 N TYR A 80 -14.574 -6.790 -2.564 1.00 0.00 N ATOM 1301 CA TYR A 80 -15.285 -6.215 -3.709 1.00 0.00 C ATOM 1302 C TYR A 80 -16.663 -5.676 -3.327 1.00 0.00 C ATOM 1303 O TYR A 80 -17.083 -4.644 -3.843 1.00 0.00 O ATOM 1304 CB TYR A 80 -15.454 -7.272 -4.812 1.00 0.00 C ATOM 1305 CG TYR A 80 -15.534 -6.721 -6.230 1.00 0.00 C ATOM 1306 CD1 TYR A 80 -16.682 -6.032 -6.671 1.00 0.00 C ATOM 1307 CD2 TYR A 80 -14.511 -7.011 -7.153 1.00 0.00 C ATOM 1308 CE1 TYR A 80 -16.774 -5.588 -8.002 1.00 0.00 C ATOM 1309 CE2 TYR A 80 -14.654 -6.662 -8.505 1.00 0.00 C ATOM 1310 CZ TYR A 80 -15.764 -5.911 -8.922 1.00 0.00 C ATOM 1311 OH TYR A 80 -15.879 -5.527 -10.224 1.00 0.00 O ATOM 0 H TYR A 80 -14.138 -7.687 -2.780 1.00 0.00 H new ATOM 0 HA TYR A 80 -14.682 -5.381 -4.069 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -14.618 -7.969 -4.757 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -16.360 -7.844 -4.610 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -17.494 -5.844 -5.984 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -13.611 -7.505 -6.819 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -17.622 -4.998 -8.317 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -13.910 -6.971 -9.224 1.00 0.00 H new ATOM 0 HH TYR A 80 -15.093 -5.830 -10.725 1.00 0.00 H new ATOM 1321 N LYS A 81 -17.364 -6.382 -2.430 1.00 0.00 N ATOM 1322 CA LYS A 81 -18.686 -6.003 -1.945 1.00 0.00 C ATOM 1323 C LYS A 81 -18.736 -4.528 -1.539 1.00 0.00 C ATOM 1324 O LYS A 81 -19.779 -3.893 -1.661 1.00 0.00 O ATOM 1325 CB LYS A 81 -19.040 -6.892 -0.740 1.00 0.00 C ATOM 1326 CG LYS A 81 -20.482 -6.758 -0.231 1.00 0.00 C ATOM 1327 CD LYS A 81 -21.497 -7.329 -1.230 1.00 0.00 C ATOM 1328 CE LYS A 81 -22.909 -7.299 -0.640 1.00 0.00 C ATOM 1329 NZ LYS A 81 -23.887 -7.898 -1.566 1.00 0.00 N ATOM 0 H LYS A 81 -17.017 -7.248 -2.017 1.00 0.00 H new ATOM 0 HA LYS A 81 -19.409 -6.144 -2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -18.863 -7.933 -1.012 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -18.359 -6.656 0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.580 -7.277 0.723 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -20.706 -5.707 -0.047 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -21.471 -6.751 -2.154 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -21.226 -8.353 -1.487 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -22.922 -7.840 0.306 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -23.193 -6.269 -0.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -24.835 -7.864 -1.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -23.890 -7.366 -2.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -23.627 -8.887 -1.753 1.00 0.00 H new ATOM 1343 N THR A 82 -17.609 -4.017 -1.030 1.00 0.00 N ATOM 1344 CA THR A 82 -17.534 -2.727 -0.386 1.00 0.00 C ATOM 1345 C THR A 82 -16.159 -2.112 -0.671 1.00 0.00 C ATOM 1346 O THR A 82 -16.013 -1.358 -1.628 1.00 0.00 O ATOM 1347 CB THR A 82 -17.856 -2.951 1.104 1.00 0.00 C ATOM 1348 OG1 THR A 82 -19.231 -3.243 1.252 1.00 0.00 O ATOM 1349 CG2 THR A 82 -17.527 -1.729 1.948 1.00 0.00 C ATOM 0 H THR A 82 -16.715 -4.507 -1.061 1.00 0.00 H new ATOM 0 HA THR A 82 -18.255 -2.004 -0.766 1.00 0.00 H new ATOM 0 HB THR A 82 -17.242 -3.783 1.449 1.00 0.00 H new ATOM 0 HG1 THR A 82 -19.435 -3.387 2.200 1.00 0.00 H new ATOM 0 HG21 THR A 82 -17.770 -1.931 2.991 1.00 0.00 H new ATOM 0 HG22 THR A 82 -16.465 -1.501 1.860 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.111 -0.877 1.598 1.00 0.00 H new ATOM 1357 N ARG A 83 -15.170 -2.431 0.171 1.00 0.00 N ATOM 1358 CA ARG A 83 -13.802 -1.914 0.219 1.00 0.00 C ATOM 1359 C ARG A 83 -13.215 -2.326 1.577 1.00 0.00 C ATOM 1360 O ARG A 83 -12.723 -1.511 2.353 1.00 0.00 O ATOM 1361 CB ARG A 83 -13.718 -0.396 -0.054 1.00 0.00 C ATOM 1362 CG ARG A 83 -13.120 -0.112 -1.440 1.00 0.00 C ATOM 1363 CD ARG A 83 -12.994 1.386 -1.736 1.00 0.00 C ATOM 1364 NE ARG A 83 -14.282 1.975 -2.133 1.00 0.00 N ATOM 1365 CZ ARG A 83 -15.156 2.606 -1.335 1.00 0.00 C ATOM 1366 NH1 ARG A 83 -14.938 2.712 -0.021 1.00 0.00 N ATOM 1367 NH2 ARG A 83 -16.262 3.132 -1.871 1.00 0.00 N ATOM 0 H ARG A 83 -15.324 -3.123 0.904 1.00 0.00 H new ATOM 0 HA ARG A 83 -13.207 -2.345 -0.586 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.713 0.043 0.012 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.107 0.081 0.713 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.136 -0.575 -1.508 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.745 -0.577 -2.203 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.616 1.900 -0.852 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.264 1.539 -2.531 1.00 0.00 H new ATOM 0 HE ARG A 83 -14.537 1.895 -3.117 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -14.096 2.309 0.390 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -15.614 3.195 0.571 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -16.431 3.050 -2.874 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.936 3.615 -1.277 1.00 0.00 H new ATOM 1381 N GLY A 84 -13.315 -3.624 1.883 1.00 0.00 N ATOM 1382 CA GLY A 84 -12.661 -4.204 3.047 1.00 0.00 C ATOM 1383 C GLY A 84 -11.149 -4.266 2.818 1.00 0.00 C ATOM 1384 O GLY A 84 -10.670 -3.833 1.776 1.00 0.00 O ATOM 0 H GLY A 84 -13.850 -4.294 1.330 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.879 -3.607 3.933 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.051 -5.205 3.233 1.00 0.00 H new ATOM 1388 N ARG A 85 -10.402 -4.836 3.768 1.00 0.00 N ATOM 1389 CA ARG A 85 -8.960 -5.061 3.688 1.00 0.00 C ATOM 1390 C ARG A 85 -8.664 -6.428 4.282 1.00 0.00 C ATOM 1391 O ARG A 85 -9.083 -6.672 5.411 1.00 0.00 O ATOM 1392 CB ARG A 85 -8.135 -3.978 4.423 1.00 0.00 C ATOM 1393 CG ARG A 85 -8.912 -2.719 4.828 1.00 0.00 C ATOM 1394 CD ARG A 85 -9.708 -2.964 6.118 1.00 0.00 C ATOM 1395 NE ARG A 85 -8.915 -2.623 7.305 1.00 0.00 N ATOM 1396 CZ ARG A 85 -9.345 -2.765 8.566 1.00 0.00 C ATOM 1397 NH1 ARG A 85 -10.492 -3.407 8.819 1.00 0.00 N ATOM 1398 NH2 ARG A 85 -8.626 -2.255 9.570 1.00 0.00 N ATOM 0 H ARG A 85 -10.803 -5.165 4.646 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.666 -5.009 2.640 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.703 -4.422 5.320 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.305 -3.681 3.782 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.220 -1.890 4.974 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -9.591 -2.430 4.025 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -10.621 -2.368 6.104 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -10.011 -4.010 6.168 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.975 -2.254 7.161 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -11.042 -3.790 8.050 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.816 -3.513 9.780 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -7.755 -1.761 9.374 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -8.948 -2.360 10.532 1.00 0.00 H new ATOM 1412 N LYS A 86 -7.961 -7.300 3.552 1.00 0.00 N ATOM 1413 CA LYS A 86 -7.526 -8.597 4.037 1.00 0.00 C ATOM 1414 C LYS A 86 -6.011 -8.705 3.980 1.00 0.00 C ATOM 1415 O LYS A 86 -5.361 -8.254 3.035 1.00 0.00 O ATOM 1416 CB LYS A 86 -8.179 -9.739 3.258 1.00 0.00 C ATOM 1417 CG LYS A 86 -9.598 -10.051 3.747 1.00 0.00 C ATOM 1418 CD LYS A 86 -9.654 -10.645 5.171 1.00 0.00 C ATOM 1419 CE LYS A 86 -9.833 -9.618 6.311 1.00 0.00 C ATOM 1420 NZ LYS A 86 -10.780 -10.118 7.323 1.00 0.00 N ATOM 0 H LYS A 86 -7.677 -7.113 2.590 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.844 -8.686 5.076 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.212 -9.480 2.200 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.563 -10.634 3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.189 -9.136 3.723 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.065 -10.751 3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.476 -11.359 5.216 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.735 -11.204 5.349 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.869 -9.415 6.778 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.195 -8.674 5.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.885 -9.412 8.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.705 -10.289 6.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.420 -11.006 7.726 1.00 0.00 H new ATOM 1434 N LEU A 87 -5.474 -9.322 5.031 1.00 0.00 N ATOM 1435 CA LEU A 87 -4.059 -9.486 5.248 1.00 0.00 C ATOM 1436 C LEU A 87 -3.554 -10.586 4.303 1.00 0.00 C ATOM 1437 O LEU A 87 -3.690 -11.770 4.601 1.00 0.00 O ATOM 1438 CB LEU A 87 -3.881 -9.824 6.742 1.00 0.00 C ATOM 1439 CG LEU A 87 -2.490 -9.497 7.288 1.00 0.00 C ATOM 1440 CD1 LEU A 87 -2.377 -9.901 8.760 1.00 0.00 C ATOM 1441 CD2 LEU A 87 -1.354 -10.194 6.528 1.00 0.00 C ATOM 0 H LEU A 87 -6.041 -9.731 5.773 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.474 -8.593 5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.626 -9.277 7.320 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.079 -10.885 6.891 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.380 -8.420 7.162 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.380 -9.660 9.128 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.121 -9.359 9.344 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.550 -10.973 8.857 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.397 -9.916 6.970 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.483 -11.274 6.591 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.374 -9.887 5.482 1.00 0.00 H new ATOM 1453 N LEU A 88 -2.934 -10.183 3.190 1.00 0.00 N ATOM 1454 CA LEU A 88 -2.192 -11.057 2.277 1.00 0.00 C ATOM 1455 C LEU A 88 -0.738 -10.586 2.123 1.00 0.00 C ATOM 1456 O LEU A 88 0.004 -11.068 1.267 1.00 0.00 O ATOM 1457 CB LEU A 88 -2.915 -11.130 0.919 1.00 0.00 C ATOM 1458 CG LEU A 88 -3.638 -12.468 0.695 1.00 0.00 C ATOM 1459 CD1 LEU A 88 -4.390 -12.396 -0.638 1.00 0.00 C ATOM 1460 CD2 LEU A 88 -2.649 -13.644 0.624 1.00 0.00 C ATOM 0 H LEU A 88 -2.935 -9.208 2.890 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.158 -12.062 2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.638 -10.317 0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.191 -10.976 0.119 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.315 -12.634 1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.910 -13.338 -0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.115 -11.583 -0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.681 -12.216 -1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.198 -14.572 0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.955 -13.487 -0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.092 -13.708 1.559 1.00 0.00 H new ATOM 1472 N ARG A 89 -0.342 -9.604 2.936 1.00 0.00 N ATOM 1473 CA ARG A 89 0.957 -8.976 2.887 1.00 0.00 C ATOM 1474 C ARG A 89 2.054 -9.954 3.328 1.00 0.00 C ATOM 1475 O ARG A 89 1.799 -11.121 3.620 1.00 0.00 O ATOM 1476 CB ARG A 89 0.962 -7.604 3.612 1.00 0.00 C ATOM 1477 CG ARG A 89 -0.256 -7.275 4.474 1.00 0.00 C ATOM 1478 CD ARG A 89 -0.167 -5.818 4.935 1.00 0.00 C ATOM 1479 NE ARG A 89 -1.286 -5.458 5.819 1.00 0.00 N ATOM 1480 CZ ARG A 89 -1.457 -5.949 7.057 1.00 0.00 C ATOM 1481 NH1 ARG A 89 -0.507 -6.699 7.630 1.00 0.00 N ATOM 1482 NH2 ARG A 89 -2.583 -5.692 7.722 1.00 0.00 N ATOM 0 H ARG A 89 -0.944 -9.221 3.665 1.00 0.00 H new ATOM 0 HA ARG A 89 1.195 -8.729 1.852 1.00 0.00 H new ATOM 0 HB2 ARG A 89 1.848 -7.558 4.245 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.066 -6.823 2.859 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.172 -7.434 3.906 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.297 -7.940 5.337 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.776 -5.659 5.458 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.164 -5.161 4.066 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.976 -4.793 5.469 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.356 -6.902 7.126 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.646 -7.067 8.571 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.312 -5.124 7.290 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.716 -6.064 8.663 1.00 0.00 H new ATOM 1496 N PHE A 90 3.289 -9.454 3.380 1.00 0.00 N ATOM 1497 CA PHE A 90 4.423 -10.142 3.974 1.00 0.00 C ATOM 1498 C PHE A 90 4.631 -11.556 3.418 1.00 0.00 C ATOM 1499 O PHE A 90 4.399 -12.552 4.098 1.00 0.00 O ATOM 1500 CB PHE A 90 4.273 -10.098 5.500 1.00 0.00 C ATOM 1501 CG PHE A 90 5.368 -9.303 6.151 1.00 0.00 C ATOM 1502 CD1 PHE A 90 6.602 -9.914 6.434 1.00 0.00 C ATOM 1503 CD2 PHE A 90 5.175 -7.935 6.404 1.00 0.00 C ATOM 1504 CE1 PHE A 90 7.636 -9.157 7.004 1.00 0.00 C ATOM 1505 CE2 PHE A 90 6.200 -7.184 6.992 1.00 0.00 C ATOM 1506 CZ PHE A 90 7.427 -7.799 7.287 1.00 0.00 C ATOM 0 H PHE A 90 3.528 -8.538 3.000 1.00 0.00 H new ATOM 0 HA PHE A 90 5.341 -9.623 3.698 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.307 -9.663 5.757 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.279 -11.114 5.894 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.753 -10.960 6.214 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.238 -7.464 6.146 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.588 -9.617 7.224 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.048 -6.139 7.217 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.220 -7.220 7.737 1.00 0.00 H new ATOM 1516 N ASN A 91 5.081 -11.637 2.168 1.00 0.00 N ATOM 1517 CA ASN A 91 5.219 -12.877 1.425 1.00 0.00 C ATOM 1518 C ASN A 91 6.528 -12.873 0.632 1.00 0.00 C ATOM 1519 O ASN A 91 7.129 -11.823 0.387 1.00 0.00 O ATOM 1520 CB ASN A 91 3.998 -13.049 0.512 1.00 0.00 C ATOM 1521 CG ASN A 91 2.981 -14.020 1.105 1.00 0.00 C ATOM 1522 OD1 ASN A 91 2.904 -15.165 0.671 1.00 0.00 O ATOM 1523 ND2 ASN A 91 2.198 -13.602 2.099 1.00 0.00 N ATOM 0 H ASN A 91 5.366 -10.816 1.634 1.00 0.00 H new ATOM 0 HA ASN A 91 5.259 -13.724 2.110 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.525 -12.080 0.351 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.322 -13.412 -0.464 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.518 -14.238 2.514 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.279 -12.646 2.444 1.00 0.00 H new ATOM 1530 N GLY A 92 6.970 -14.076 0.254 1.00 0.00 N ATOM 1531 CA GLY A 92 8.243 -14.332 -0.399 1.00 0.00 C ATOM 1532 C GLY A 92 9.151 -15.085 0.578 1.00 0.00 C ATOM 1533 O GLY A 92 8.789 -16.193 0.971 1.00 0.00 O ATOM 0 H GLY A 92 6.426 -14.926 0.403 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.092 -14.920 -1.305 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.708 -13.394 -0.701 1.00 0.00 H new ATOM 1537 N PRO A 93 10.292 -14.522 1.012 1.00 0.00 N ATOM 1538 CA PRO A 93 10.827 -13.226 0.617 1.00 0.00 C ATOM 1539 C PRO A 93 11.303 -13.274 -0.838 1.00 0.00 C ATOM 1540 O PRO A 93 11.509 -14.353 -1.389 1.00 0.00 O ATOM 1541 CB PRO A 93 11.992 -12.971 1.577 1.00 0.00 C ATOM 1542 CG PRO A 93 12.498 -14.380 1.889 1.00 0.00 C ATOM 1543 CD PRO A 93 11.209 -15.203 1.912 1.00 0.00 C ATOM 0 HA PRO A 93 10.084 -12.430 0.672 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.766 -12.357 1.117 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.666 -12.451 2.478 1.00 0.00 H new ATOM 0 HG2 PRO A 93 13.193 -14.738 1.130 1.00 0.00 H new ATOM 0 HG3 PRO A 93 13.021 -14.420 2.844 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.392 -16.226 1.584 1.00 0.00 H new ATOM 0 HD3 PRO A 93 10.798 -15.260 2.920 1.00 0.00 H new ATOM 1551 N VAL A 94 11.452 -12.105 -1.463 1.00 0.00 N ATOM 1552 CA VAL A 94 11.889 -11.959 -2.842 1.00 0.00 C ATOM 1553 C VAL A 94 13.279 -11.303 -2.824 1.00 0.00 C ATOM 1554 O VAL A 94 13.445 -10.228 -2.247 1.00 0.00 O ATOM 1555 CB VAL A 94 10.839 -11.145 -3.625 1.00 0.00 C ATOM 1556 CG1 VAL A 94 11.302 -10.828 -5.051 1.00 0.00 C ATOM 1557 CG2 VAL A 94 9.513 -11.916 -3.700 1.00 0.00 C ATOM 0 H VAL A 94 11.265 -11.212 -1.006 1.00 0.00 H new ATOM 0 HA VAL A 94 11.976 -12.919 -3.351 1.00 0.00 H new ATOM 0 HB VAL A 94 10.703 -10.207 -3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.531 -10.254 -5.565 1.00 0.00 H new ATOM 0 HG12 VAL A 94 12.223 -10.247 -5.014 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.482 -11.758 -5.590 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.782 -11.329 -4.256 1.00 0.00 H new ATOM 0 HG22 VAL A 94 9.674 -12.868 -4.206 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.141 -12.099 -2.692 1.00 0.00 H new ATOM 1567 N PRO A 95 14.313 -11.929 -3.409 1.00 0.00 N ATOM 1568 CA PRO A 95 15.618 -11.300 -3.505 1.00 0.00 C ATOM 1569 C PRO A 95 15.548 -10.164 -4.535 1.00 0.00 C ATOM 1570 O PRO A 95 14.744 -10.235 -5.463 1.00 0.00 O ATOM 1571 CB PRO A 95 16.569 -12.418 -3.939 1.00 0.00 C ATOM 1572 CG PRO A 95 15.670 -13.345 -4.756 1.00 0.00 C ATOM 1573 CD PRO A 95 14.309 -13.228 -4.064 1.00 0.00 C ATOM 0 HA PRO A 95 15.958 -10.854 -2.570 1.00 0.00 H new ATOM 0 HB2 PRO A 95 17.397 -12.033 -4.534 1.00 0.00 H new ATOM 0 HB3 PRO A 95 17.004 -12.932 -3.082 1.00 0.00 H new ATOM 0 HG2 PRO A 95 15.617 -13.035 -5.800 1.00 0.00 H new ATOM 0 HG3 PRO A 95 16.038 -14.371 -4.747 1.00 0.00 H new ATOM 0 HD2 PRO A 95 13.495 -13.301 -4.785 1.00 0.00 H new ATOM 0 HD3 PRO A 95 14.167 -14.031 -3.341 1.00 0.00 H new ATOM 1581 N PRO A 96 16.362 -9.107 -4.391 1.00 0.00 N ATOM 1582 CA PRO A 96 16.348 -7.978 -5.307 1.00 0.00 C ATOM 1583 C PRO A 96 16.794 -8.417 -6.709 1.00 0.00 C ATOM 1584 O PRO A 96 17.925 -8.878 -6.860 1.00 0.00 O ATOM 1585 CB PRO A 96 17.307 -6.947 -4.694 1.00 0.00 C ATOM 1586 CG PRO A 96 18.254 -7.791 -3.840 1.00 0.00 C ATOM 1587 CD PRO A 96 17.358 -8.926 -3.348 1.00 0.00 C ATOM 0 HA PRO A 96 15.351 -7.556 -5.432 1.00 0.00 H new ATOM 0 HB2 PRO A 96 17.847 -6.396 -5.464 1.00 0.00 H new ATOM 0 HB3 PRO A 96 16.773 -6.212 -4.092 1.00 0.00 H new ATOM 0 HG2 PRO A 96 19.096 -8.166 -4.422 1.00 0.00 H new ATOM 0 HG3 PRO A 96 18.669 -7.217 -3.012 1.00 0.00 H new ATOM 0 HD2 PRO A 96 17.931 -9.839 -3.189 1.00 0.00 H new ATOM 0 HD3 PRO A 96 16.890 -8.674 -2.397 1.00 0.00 H new ATOM 1595 N PRO A 97 15.944 -8.289 -7.742 1.00 0.00 N ATOM 1596 CA PRO A 97 16.310 -8.660 -9.100 1.00 0.00 C ATOM 1597 C PRO A 97 17.218 -7.598 -9.728 1.00 0.00 C ATOM 1598 O PRO A 97 17.197 -6.444 -9.240 1.00 0.00 O ATOM 1599 CB PRO A 97 14.980 -8.786 -9.845 1.00 0.00 C ATOM 1600 CG PRO A 97 14.104 -7.739 -9.158 1.00 0.00 C ATOM 1601 CD PRO A 97 14.578 -7.785 -7.703 1.00 0.00 C ATOM 1602 OXT PRO A 97 17.905 -7.955 -10.710 1.00 0.00 O ATOM 0 HA PRO A 97 16.877 -9.590 -9.139 1.00 0.00 H new ATOM 0 HB2 PRO A 97 15.093 -8.583 -10.910 1.00 0.00 H new ATOM 0 HB3 PRO A 97 14.559 -9.787 -9.754 1.00 0.00 H new ATOM 0 HG2 PRO A 97 14.241 -6.750 -9.595 1.00 0.00 H new ATOM 0 HG3 PRO A 97 13.045 -7.981 -9.244 1.00 0.00 H new ATOM 0 HD2 PRO A 97 14.540 -6.795 -7.249 1.00 0.00 H new ATOM 0 HD3 PRO A 97 13.939 -8.435 -7.105 1.00 0.00 H new TER 1610 PRO A 97