USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 730 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 70 HIS : no HD1:sc= -0.437 K(o=-0.44,f=0.068) USER MOD Set 1.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.047 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -171:sc= -4.01! (180deg=-4.37!) USER MOD Single : A 11 SER OG : rot 180:sc= -0.0883 USER MOD Single : A 14 MET CE :methyl -156:sc=-0.00625 (180deg=-0.361) USER MOD Single : A 20 TYR OH : rot 165:sc= -0.283 USER MOD Single : A 21 MET CE :methyl -134:sc= -1.78 (180deg=-4.29!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 94:sc= 1.25 USER MOD Single : A 33 MET CE :methyl 136:sc= -7.37! (180deg=-10.3!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 34:sc= 0.524 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.0696 K(o=-0.07,f=-5.9!) USER MOD Single : A 48 THR OG1 : rot 180:sc=0.000387 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.733 USER MOD Single : A 55 CYS SG : rot 80:sc= -1.51 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot -125:sc= -0.0581 USER MOD Single : A 71 LYS NZ :NH3+ 179:sc= -0.982! (180deg=-1.03!) USER MOD Single : A 73 ASN : amide:sc= -1.24! C(o=-1.2!,f=-1.8!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 36:sc= 0.113 USER MOD Single : A 84 LYS NZ :NH3+ 173:sc= 0.132 (180deg=0.0494) USER MOD Single : A 87 LYS NZ :NH3+ 147:sc= -0.471 (180deg=-1.64!) USER MOD Single : A 89 ASN : amide:sc=-0.00973 X(o=-0.0097,f=-0.0018) USER MOD Single : A 92 THR OG1 : rot -63:sc= 0.564 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.187 10.232 -22.784 1.00 0.00 N ATOM 2 CA GLY A 1 18.954 11.005 -21.578 1.00 0.00 C ATOM 3 C GLY A 1 18.801 10.130 -20.350 1.00 0.00 C ATOM 4 O GLY A 1 19.288 9.000 -20.320 1.00 0.00 O ATOM 0 H1 GLY A 1 19.978 10.648 -23.315 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.419 9.251 -22.528 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.331 10.242 -23.374 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.783 11.696 -21.427 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.055 11.609 -21.705 1.00 0.00 H new ATOM 8 N SER A 2 18.124 10.653 -19.333 1.00 0.00 N ATOM 9 CA SER A 2 17.913 9.914 -18.094 1.00 0.00 C ATOM 10 C SER A 2 16.827 8.857 -18.270 1.00 0.00 C ATOM 11 O SER A 2 15.823 9.088 -18.943 1.00 0.00 O ATOM 12 CB SER A 2 17.530 10.871 -16.963 1.00 0.00 C ATOM 13 OG SER A 2 17.856 10.322 -15.698 1.00 0.00 O ATOM 0 H SER A 2 17.712 11.586 -19.343 1.00 0.00 H new ATOM 0 HA SER A 2 18.846 9.413 -17.836 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.048 11.821 -17.095 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.461 11.082 -17.007 1.00 0.00 H new ATOM 0 HG SER A 2 17.603 10.953 -14.992 1.00 0.00 H new ATOM 19 N SER A 3 17.037 7.694 -17.660 1.00 0.00 N ATOM 20 CA SER A 3 16.080 6.599 -17.752 1.00 0.00 C ATOM 21 C SER A 3 14.762 6.972 -17.079 1.00 0.00 C ATOM 22 O SER A 3 14.685 7.083 -15.856 1.00 0.00 O ATOM 23 CB SER A 3 16.654 5.336 -17.107 1.00 0.00 C ATOM 24 OG SER A 3 17.603 4.716 -17.958 1.00 0.00 O ATOM 0 H SER A 3 17.862 7.487 -17.097 1.00 0.00 H new ATOM 0 HA SER A 3 15.888 6.405 -18.807 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.124 5.590 -16.157 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.847 4.637 -16.887 1.00 0.00 H new ATOM 0 HG SER A 3 17.957 3.912 -17.523 1.00 0.00 H new ATOM 30 N GLY A 4 13.725 7.164 -17.889 1.00 0.00 N ATOM 31 CA GLY A 4 12.424 7.522 -17.356 1.00 0.00 C ATOM 32 C GLY A 4 11.307 6.674 -17.932 1.00 0.00 C ATOM 33 O GLY A 4 10.695 5.877 -17.222 1.00 0.00 O ATOM 0 H GLY A 4 13.763 7.078 -18.905 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.437 7.413 -16.272 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.225 8.572 -17.568 1.00 0.00 H new ATOM 37 N SER A 5 11.041 6.846 -19.223 1.00 0.00 N ATOM 38 CA SER A 5 9.986 6.094 -19.893 1.00 0.00 C ATOM 39 C SER A 5 10.350 4.615 -19.988 1.00 0.00 C ATOM 40 O SER A 5 9.481 3.746 -19.931 1.00 0.00 O ATOM 41 CB SER A 5 9.737 6.660 -21.293 1.00 0.00 C ATOM 42 OG SER A 5 8.432 6.346 -21.745 1.00 0.00 O ATOM 0 H SER A 5 11.541 7.499 -19.826 1.00 0.00 H new ATOM 0 HA SER A 5 9.075 6.190 -19.303 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.870 7.742 -21.280 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.473 6.256 -21.988 1.00 0.00 H new ATOM 0 HG SER A 5 8.297 6.720 -22.641 1.00 0.00 H new ATOM 48 N SER A 6 11.642 4.338 -20.132 1.00 0.00 N ATOM 49 CA SER A 6 12.122 2.966 -20.238 1.00 0.00 C ATOM 50 C SER A 6 12.541 2.429 -18.873 1.00 0.00 C ATOM 51 O SER A 6 13.698 2.065 -18.664 1.00 0.00 O ATOM 52 CB SER A 6 13.300 2.889 -21.212 1.00 0.00 C ATOM 53 OG SER A 6 12.867 3.061 -22.550 1.00 0.00 O ATOM 0 H SER A 6 12.375 5.046 -20.178 1.00 0.00 H new ATOM 0 HA SER A 6 11.306 2.351 -20.616 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.033 3.656 -20.962 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.799 1.925 -21.109 1.00 0.00 H new ATOM 0 HG SER A 6 13.638 3.009 -23.153 1.00 0.00 H new ATOM 59 N GLY A 7 11.590 2.384 -17.945 1.00 0.00 N ATOM 60 CA GLY A 7 11.879 1.892 -16.610 1.00 0.00 C ATOM 61 C GLY A 7 10.623 1.537 -15.839 1.00 0.00 C ATOM 62 O GLY A 7 9.684 0.969 -16.396 1.00 0.00 O ATOM 0 H GLY A 7 10.625 2.679 -18.093 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.519 1.013 -16.681 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.438 2.649 -16.060 1.00 0.00 H new ATOM 66 N MET A 8 10.606 1.871 -14.553 1.00 0.00 N ATOM 67 CA MET A 8 9.456 1.583 -13.704 1.00 0.00 C ATOM 68 C MET A 8 8.537 2.797 -13.604 1.00 0.00 C ATOM 69 O MET A 8 8.098 3.167 -12.516 1.00 0.00 O ATOM 70 CB MET A 8 9.918 1.163 -12.307 1.00 0.00 C ATOM 71 CG MET A 8 10.549 2.293 -11.510 1.00 0.00 C ATOM 72 SD MET A 8 11.753 1.705 -10.304 1.00 0.00 S ATOM 73 CE MET A 8 10.854 0.344 -9.565 1.00 0.00 C ATOM 0 H MET A 8 11.375 2.341 -14.076 1.00 0.00 H new ATOM 0 HA MET A 8 8.899 0.763 -14.156 1.00 0.00 H new ATOM 0 HB2 MET A 8 9.064 0.772 -11.753 1.00 0.00 H new ATOM 0 HB3 MET A 8 10.637 0.350 -12.401 1.00 0.00 H new ATOM 0 HG2 MET A 8 11.036 2.987 -12.195 1.00 0.00 H new ATOM 0 HG3 MET A 8 9.766 2.850 -10.994 1.00 0.00 H new ATOM 0 HE1 MET A 8 11.398 -0.021 -8.694 1.00 0.00 H new ATOM 0 HE2 MET A 8 9.865 0.685 -9.258 1.00 0.00 H new ATOM 0 HE3 MET A 8 10.751 -0.461 -10.292 1.00 0.00 H new ATOM 83 N ALA A 9 8.251 3.412 -14.747 1.00 0.00 N ATOM 84 CA ALA A 9 7.383 4.582 -14.788 1.00 0.00 C ATOM 85 C ALA A 9 5.918 4.184 -14.645 1.00 0.00 C ATOM 86 O ALA A 9 5.210 4.688 -13.773 1.00 0.00 O ATOM 87 CB ALA A 9 7.598 5.354 -16.082 1.00 0.00 C ATOM 0 H ALA A 9 8.608 3.119 -15.657 1.00 0.00 H new ATOM 0 HA ALA A 9 7.642 5.225 -13.947 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.943 6.225 -16.099 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.637 5.679 -16.143 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.368 4.711 -16.932 1.00 0.00 H new ATOM 93 N ALA A 10 5.468 3.278 -15.506 1.00 0.00 N ATOM 94 CA ALA A 10 4.087 2.812 -15.474 1.00 0.00 C ATOM 95 C ALA A 10 3.943 1.585 -14.580 1.00 0.00 C ATOM 96 O ALA A 10 3.025 0.784 -14.754 1.00 0.00 O ATOM 97 CB ALA A 10 3.602 2.501 -16.883 1.00 0.00 C ATOM 0 H ALA A 10 6.040 2.852 -16.235 1.00 0.00 H new ATOM 0 HA ALA A 10 3.470 3.608 -15.057 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.569 2.154 -16.844 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.660 3.401 -17.495 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.229 1.724 -17.321 1.00 0.00 H new ATOM 103 N SER A 11 4.856 1.444 -13.624 1.00 0.00 N ATOM 104 CA SER A 11 4.832 0.312 -12.705 1.00 0.00 C ATOM 105 C SER A 11 4.439 0.760 -11.301 1.00 0.00 C ATOM 106 O SER A 11 4.387 1.956 -11.010 1.00 0.00 O ATOM 107 CB SER A 11 6.200 -0.372 -12.671 1.00 0.00 C ATOM 108 OG SER A 11 6.585 -0.806 -13.964 1.00 0.00 O ATOM 0 H SER A 11 5.621 2.099 -13.466 1.00 0.00 H new ATOM 0 HA SER A 11 4.087 -0.399 -13.062 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.946 0.319 -12.279 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.167 -1.224 -11.993 1.00 0.00 H new ATOM 0 HG SER A 11 7.463 -1.238 -13.916 1.00 0.00 H new ATOM 114 N LEU A 12 4.163 -0.207 -10.434 1.00 0.00 N ATOM 115 CA LEU A 12 3.775 0.086 -9.058 1.00 0.00 C ATOM 116 C LEU A 12 4.500 -0.834 -8.080 1.00 0.00 C ATOM 117 O LEU A 12 4.855 -1.962 -8.421 1.00 0.00 O ATOM 118 CB LEU A 12 2.262 -0.065 -8.892 1.00 0.00 C ATOM 119 CG LEU A 12 1.396 0.818 -9.792 1.00 0.00 C ATOM 120 CD1 LEU A 12 0.050 0.160 -10.049 1.00 0.00 C ATOM 121 CD2 LEU A 12 1.209 2.193 -9.168 1.00 0.00 C ATOM 0 H LEU A 12 4.200 -1.201 -10.659 1.00 0.00 H new ATOM 0 HA LEU A 12 4.058 1.115 -8.837 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.999 -1.106 -9.077 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.007 0.149 -7.854 1.00 0.00 H new ATOM 0 HG LEU A 12 1.906 0.941 -10.748 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.552 0.803 -10.691 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.203 -0.802 -10.539 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.467 0.007 -9.102 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.590 2.808 -9.822 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.721 2.089 -8.199 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.181 2.668 -9.036 1.00 0.00 H new ATOM 133 N TRP A 13 4.714 -0.344 -6.865 1.00 0.00 N ATOM 134 CA TRP A 13 5.394 -1.123 -5.836 1.00 0.00 C ATOM 135 C TRP A 13 4.396 -1.934 -5.018 1.00 0.00 C ATOM 136 O TRP A 13 3.380 -1.408 -4.562 1.00 0.00 O ATOM 137 CB TRP A 13 6.196 -0.201 -4.916 1.00 0.00 C ATOM 138 CG TRP A 13 6.576 -0.842 -3.616 1.00 0.00 C ATOM 139 CD1 TRP A 13 7.774 -1.420 -3.306 1.00 0.00 C ATOM 140 CD2 TRP A 13 5.753 -0.973 -2.452 1.00 0.00 C ATOM 141 NE1 TRP A 13 7.745 -1.902 -2.020 1.00 0.00 N ATOM 142 CE2 TRP A 13 6.516 -1.639 -1.474 1.00 0.00 C ATOM 143 CE3 TRP A 13 4.445 -0.590 -2.141 1.00 0.00 C ATOM 144 CZ2 TRP A 13 6.014 -1.930 -0.209 1.00 0.00 C ATOM 145 CZ3 TRP A 13 3.948 -0.880 -0.884 1.00 0.00 C ATOM 146 CH2 TRP A 13 4.731 -1.544 0.069 1.00 0.00 C ATOM 0 H TRP A 13 4.427 0.589 -6.568 1.00 0.00 H new ATOM 0 HA TRP A 13 6.076 -1.814 -6.331 1.00 0.00 H new ATOM 0 HB2 TRP A 13 7.101 0.119 -5.433 1.00 0.00 H new ATOM 0 HB3 TRP A 13 5.611 0.696 -4.713 1.00 0.00 H new ATOM 0 HD1 TRP A 13 8.620 -1.488 -3.974 1.00 0.00 H new ATOM 0 HE1 TRP A 13 8.514 -2.378 -1.548 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.834 -0.077 -2.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.616 -2.442 0.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.939 -0.590 -0.632 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.314 -1.755 1.042 1.00 0.00 H new ATOM 157 N MET A 14 4.691 -3.217 -4.834 1.00 0.00 N ATOM 158 CA MET A 14 3.819 -4.099 -4.069 1.00 0.00 C ATOM 159 C MET A 14 4.609 -4.860 -3.009 1.00 0.00 C ATOM 160 O MET A 14 5.248 -5.869 -3.303 1.00 0.00 O ATOM 161 CB MET A 14 3.111 -5.086 -5.000 1.00 0.00 C ATOM 162 CG MET A 14 2.303 -6.143 -4.265 1.00 0.00 C ATOM 163 SD MET A 14 1.446 -7.265 -5.386 1.00 0.00 S ATOM 164 CE MET A 14 -0.199 -7.261 -4.676 1.00 0.00 C ATOM 0 H MET A 14 5.527 -3.668 -5.204 1.00 0.00 H new ATOM 0 HA MET A 14 3.072 -3.483 -3.568 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.449 -4.533 -5.667 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.854 -5.579 -5.626 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.966 -6.718 -3.619 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.574 -5.654 -3.619 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.717 -8.179 -4.954 1.00 0.00 H new ATOM 0 HE2 MET A 14 -0.126 -7.200 -3.590 1.00 0.00 H new ATOM 0 HE3 MET A 14 -0.755 -6.402 -5.051 1.00 0.00 H new ATOM 174 N GLY A 15 4.562 -4.369 -1.775 1.00 0.00 N ATOM 175 CA GLY A 15 5.279 -5.015 -0.691 1.00 0.00 C ATOM 176 C GLY A 15 4.378 -5.888 0.160 1.00 0.00 C ATOM 177 O GLY A 15 3.342 -6.362 -0.305 1.00 0.00 O ATOM 0 H GLY A 15 4.040 -3.535 -1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.085 -5.623 -1.103 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.743 -4.255 -0.062 1.00 0.00 H new ATOM 181 N ASP A 16 4.774 -6.103 1.410 1.00 0.00 N ATOM 182 CA ASP A 16 3.996 -6.926 2.328 1.00 0.00 C ATOM 183 C ASP A 16 3.557 -8.223 1.656 1.00 0.00 C ATOM 184 O ASP A 16 2.390 -8.610 1.731 1.00 0.00 O ATOM 185 CB ASP A 16 2.771 -6.155 2.825 1.00 0.00 C ATOM 186 CG ASP A 16 3.056 -5.370 4.090 1.00 0.00 C ATOM 187 OD1 ASP A 16 3.891 -4.443 4.038 1.00 0.00 O ATOM 188 OD2 ASP A 16 2.442 -5.681 5.132 1.00 0.00 O ATOM 0 H ASP A 16 5.630 -5.718 1.811 1.00 0.00 H new ATOM 0 HA ASP A 16 4.629 -7.175 3.179 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.434 -5.472 2.045 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.956 -6.854 3.011 1.00 0.00 H new ATOM 193 N LEU A 17 4.500 -8.891 1.000 1.00 0.00 N ATOM 194 CA LEU A 17 4.211 -10.146 0.314 1.00 0.00 C ATOM 195 C LEU A 17 4.673 -11.339 1.143 1.00 0.00 C ATOM 196 O LEU A 17 5.431 -11.185 2.101 1.00 0.00 O ATOM 197 CB LEU A 17 4.891 -10.168 -1.056 1.00 0.00 C ATOM 198 CG LEU A 17 4.628 -8.960 -1.956 1.00 0.00 C ATOM 199 CD1 LEU A 17 5.450 -9.056 -3.232 1.00 0.00 C ATOM 200 CD2 LEU A 17 3.146 -8.850 -2.281 1.00 0.00 C ATOM 0 H LEU A 17 5.470 -8.585 0.929 1.00 0.00 H new ATOM 0 HA LEU A 17 3.132 -10.218 0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.967 -10.255 -0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.570 -11.066 -1.584 1.00 0.00 H new ATOM 0 HG LEU A 17 4.930 -8.060 -1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.250 -8.188 -3.860 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.510 -9.085 -2.981 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.180 -9.964 -3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.977 -7.985 -2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.819 -9.753 -2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.579 -8.733 -1.358 1.00 0.00 H new ATOM 212 N GLU A 18 4.213 -12.528 0.767 1.00 0.00 N ATOM 213 CA GLU A 18 4.581 -13.748 1.477 1.00 0.00 C ATOM 214 C GLU A 18 5.715 -14.474 0.758 1.00 0.00 C ATOM 215 O GLU A 18 5.941 -14.295 -0.439 1.00 0.00 O ATOM 216 CB GLU A 18 3.370 -14.674 1.607 1.00 0.00 C ATOM 217 CG GLU A 18 2.520 -14.394 2.835 1.00 0.00 C ATOM 218 CD GLU A 18 3.246 -14.703 4.130 1.00 0.00 C ATOM 219 OE1 GLU A 18 3.977 -13.821 4.626 1.00 0.00 O ATOM 220 OE2 GLU A 18 3.083 -15.829 4.647 1.00 0.00 O ATOM 0 H GLU A 18 3.586 -12.673 -0.024 1.00 0.00 H new ATOM 0 HA GLU A 18 4.924 -13.469 2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.750 -14.575 0.716 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.715 -15.707 1.642 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.219 -13.346 2.833 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.607 -14.988 2.784 1.00 0.00 H new ATOM 227 N PRO A 19 6.447 -15.314 1.506 1.00 0.00 N ATOM 228 CA PRO A 19 7.569 -16.084 0.962 1.00 0.00 C ATOM 229 C PRO A 19 7.111 -17.179 0.005 1.00 0.00 C ATOM 230 O PRO A 19 7.925 -17.944 -0.514 1.00 0.00 O ATOM 231 CB PRO A 19 8.215 -16.697 2.207 1.00 0.00 C ATOM 232 CG PRO A 19 7.115 -16.765 3.210 1.00 0.00 C ATOM 233 CD PRO A 19 6.234 -15.576 2.939 1.00 0.00 C ATOM 0 HA PRO A 19 8.245 -15.461 0.377 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.620 -17.687 1.996 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.041 -16.084 2.567 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.556 -17.695 3.113 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.510 -16.735 4.225 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.188 -15.793 3.157 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.516 -14.719 3.551 1.00 0.00 H new ATOM 241 N TYR A 20 5.805 -17.250 -0.224 1.00 0.00 N ATOM 242 CA TYR A 20 5.239 -18.253 -1.118 1.00 0.00 C ATOM 243 C TYR A 20 4.603 -17.598 -2.340 1.00 0.00 C ATOM 244 O TYR A 20 3.915 -18.254 -3.122 1.00 0.00 O ATOM 245 CB TYR A 20 4.199 -19.097 -0.378 1.00 0.00 C ATOM 246 CG TYR A 20 3.054 -18.287 0.188 1.00 0.00 C ATOM 247 CD1 TYR A 20 2.036 -17.819 -0.634 1.00 0.00 C ATOM 248 CD2 TYR A 20 2.990 -17.991 1.544 1.00 0.00 C ATOM 249 CE1 TYR A 20 0.989 -17.078 -0.121 1.00 0.00 C ATOM 250 CE2 TYR A 20 1.945 -17.253 2.065 1.00 0.00 C ATOM 251 CZ TYR A 20 0.947 -16.798 1.229 1.00 0.00 C ATOM 252 OH TYR A 20 -0.095 -16.061 1.743 1.00 0.00 O ATOM 0 H TYR A 20 5.118 -16.625 0.197 1.00 0.00 H new ATOM 0 HA TYR A 20 6.049 -18.900 -1.456 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.800 -19.847 -1.061 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.690 -19.634 0.434 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.064 -18.038 -1.691 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.770 -18.344 2.202 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.207 -16.720 -0.774 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.910 -17.033 3.122 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.111 -16.153 2.719 1.00 0.00 H new ATOM 262 N MET A 21 4.838 -16.300 -2.497 1.00 0.00 N ATOM 263 CA MET A 21 4.290 -15.555 -3.624 1.00 0.00 C ATOM 264 C MET A 21 5.289 -15.499 -4.776 1.00 0.00 C ATOM 265 O MET A 21 6.471 -15.221 -4.572 1.00 0.00 O ATOM 266 CB MET A 21 3.914 -14.136 -3.191 1.00 0.00 C ATOM 267 CG MET A 21 2.731 -14.086 -2.238 1.00 0.00 C ATOM 268 SD MET A 21 1.931 -12.470 -2.207 1.00 0.00 S ATOM 269 CE MET A 21 0.747 -12.704 -0.884 1.00 0.00 C ATOM 0 H MET A 21 5.404 -15.742 -1.858 1.00 0.00 H new ATOM 0 HA MET A 21 3.394 -16.072 -3.968 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.776 -13.670 -2.713 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.682 -13.544 -4.076 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.002 -14.842 -2.530 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.068 -14.339 -1.233 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.225 -12.321 -1.194 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.662 -13.766 -0.655 1.00 0.00 H new ATOM 0 HE3 MET A 21 1.083 -12.168 0.004 1.00 0.00 H new ATOM 279 N ASP A 22 4.807 -15.764 -5.985 1.00 0.00 N ATOM 280 CA ASP A 22 5.658 -15.743 -7.169 1.00 0.00 C ATOM 281 C ASP A 22 4.962 -15.032 -8.325 1.00 0.00 C ATOM 282 O ASP A 22 3.756 -14.790 -8.281 1.00 0.00 O ATOM 283 CB ASP A 22 6.031 -17.168 -7.580 1.00 0.00 C ATOM 284 CG ASP A 22 6.771 -17.911 -6.486 1.00 0.00 C ATOM 285 OD1 ASP A 22 7.707 -17.327 -5.900 1.00 0.00 O ATOM 286 OD2 ASP A 22 6.415 -19.077 -6.216 1.00 0.00 O ATOM 0 H ASP A 22 3.831 -15.996 -6.171 1.00 0.00 H new ATOM 0 HA ASP A 22 6.567 -15.195 -6.924 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.126 -17.717 -7.840 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.651 -17.134 -8.476 1.00 0.00 H new ATOM 291 N GLU A 23 5.730 -14.700 -9.358 1.00 0.00 N ATOM 292 CA GLU A 23 5.187 -14.015 -10.525 1.00 0.00 C ATOM 293 C GLU A 23 3.761 -14.477 -10.812 1.00 0.00 C ATOM 294 O GLU A 23 2.926 -13.699 -11.270 1.00 0.00 O ATOM 295 CB GLU A 23 6.072 -14.264 -11.748 1.00 0.00 C ATOM 296 CG GLU A 23 7.348 -13.440 -11.754 1.00 0.00 C ATOM 297 CD GLU A 23 8.190 -13.677 -12.992 1.00 0.00 C ATOM 298 OE1 GLU A 23 8.894 -14.708 -13.043 1.00 0.00 O ATOM 299 OE2 GLU A 23 8.145 -12.832 -13.911 1.00 0.00 O ATOM 0 H GLU A 23 6.730 -14.894 -9.410 1.00 0.00 H new ATOM 0 HA GLU A 23 5.168 -12.946 -10.311 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.332 -15.322 -11.788 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.502 -14.042 -12.650 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.093 -12.382 -11.690 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.936 -13.681 -10.868 1.00 0.00 H new ATOM 306 N ASN A 24 3.492 -15.750 -10.540 1.00 0.00 N ATOM 307 CA ASN A 24 2.168 -16.317 -10.770 1.00 0.00 C ATOM 308 C ASN A 24 1.165 -15.789 -9.749 1.00 0.00 C ATOM 309 O ASN A 24 0.135 -15.221 -10.112 1.00 0.00 O ATOM 310 CB ASN A 24 2.226 -17.845 -10.702 1.00 0.00 C ATOM 311 CG ASN A 24 2.544 -18.472 -12.046 1.00 0.00 C ATOM 312 OD1 ASN A 24 3.641 -18.302 -12.579 1.00 0.00 O ATOM 313 ND2 ASN A 24 1.583 -19.202 -12.600 1.00 0.00 N ATOM 0 H ASN A 24 4.173 -16.408 -10.160 1.00 0.00 H new ATOM 0 HA ASN A 24 1.839 -16.016 -11.765 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.982 -18.145 -9.976 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.270 -18.227 -10.343 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.739 -19.649 -13.503 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.689 -19.316 -12.122 1.00 0.00 H new ATOM 320 N PHE A 25 1.474 -15.980 -8.471 1.00 0.00 N ATOM 321 CA PHE A 25 0.600 -15.523 -7.397 1.00 0.00 C ATOM 322 C PHE A 25 0.221 -14.058 -7.590 1.00 0.00 C ATOM 323 O PHE A 25 -0.949 -13.731 -7.795 1.00 0.00 O ATOM 324 CB PHE A 25 1.283 -15.710 -6.041 1.00 0.00 C ATOM 325 CG PHE A 25 0.393 -15.396 -4.873 1.00 0.00 C ATOM 326 CD1 PHE A 25 0.125 -14.083 -4.521 1.00 0.00 C ATOM 327 CD2 PHE A 25 -0.176 -16.415 -4.125 1.00 0.00 C ATOM 328 CE1 PHE A 25 -0.694 -13.791 -3.447 1.00 0.00 C ATOM 329 CE2 PHE A 25 -0.997 -16.129 -3.051 1.00 0.00 C ATOM 330 CZ PHE A 25 -1.255 -14.816 -2.710 1.00 0.00 C ATOM 0 H PHE A 25 2.323 -16.448 -8.154 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.310 -16.122 -7.424 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.630 -16.740 -5.957 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.166 -15.072 -5.997 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.562 -13.278 -5.093 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.025 -17.444 -4.385 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.895 -12.763 -3.184 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.437 -16.932 -2.478 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.894 -14.591 -1.869 1.00 0.00 H new ATOM 340 N ILE A 26 1.217 -13.181 -7.524 1.00 0.00 N ATOM 341 CA ILE A 26 0.988 -11.752 -7.692 1.00 0.00 C ATOM 342 C ILE A 26 0.032 -11.480 -8.848 1.00 0.00 C ATOM 343 O ILE A 26 -0.989 -10.813 -8.679 1.00 0.00 O ATOM 344 CB ILE A 26 2.306 -10.996 -7.943 1.00 0.00 C ATOM 345 CG1 ILE A 26 3.290 -11.247 -6.798 1.00 0.00 C ATOM 346 CG2 ILE A 26 2.041 -9.507 -8.103 1.00 0.00 C ATOM 347 CD1 ILE A 26 2.781 -10.782 -5.451 1.00 0.00 C ATOM 0 H ILE A 26 2.190 -13.435 -7.355 1.00 0.00 H new ATOM 0 HA ILE A 26 0.543 -11.393 -6.764 1.00 0.00 H new ATOM 0 HB ILE A 26 2.750 -11.368 -8.867 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.510 -12.313 -6.746 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.229 -10.738 -7.018 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.982 -8.987 -8.280 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.373 -9.345 -8.949 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.578 -9.120 -7.195 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.530 -10.992 -4.687 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.588 -9.710 -5.485 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.858 -11.309 -5.209 1.00 0.00 H new ATOM 359 N SER A 27 0.368 -12.003 -10.023 1.00 0.00 N ATOM 360 CA SER A 27 -0.460 -11.816 -11.208 1.00 0.00 C ATOM 361 C SER A 27 -1.907 -12.211 -10.929 1.00 0.00 C ATOM 362 O SER A 27 -2.840 -11.530 -11.353 1.00 0.00 O ATOM 363 CB SER A 27 0.089 -12.640 -12.375 1.00 0.00 C ATOM 364 OG SER A 27 -0.886 -12.799 -13.390 1.00 0.00 O ATOM 0 H SER A 27 1.208 -12.560 -10.179 1.00 0.00 H new ATOM 0 HA SER A 27 -0.435 -10.759 -11.474 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.971 -12.150 -12.787 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.407 -13.619 -12.015 1.00 0.00 H new ATOM 0 HG SER A 27 -0.510 -13.328 -14.125 1.00 0.00 H new ATOM 370 N ARG A 28 -2.084 -13.315 -10.211 1.00 0.00 N ATOM 371 CA ARG A 28 -3.416 -13.802 -9.875 1.00 0.00 C ATOM 372 C ARG A 28 -4.158 -12.796 -9.000 1.00 0.00 C ATOM 373 O ARG A 28 -5.339 -12.525 -9.213 1.00 0.00 O ATOM 374 CB ARG A 28 -3.324 -15.149 -9.155 1.00 0.00 C ATOM 375 CG ARG A 28 -3.333 -16.343 -10.095 1.00 0.00 C ATOM 376 CD ARG A 28 -3.289 -17.656 -9.329 1.00 0.00 C ATOM 377 NE ARG A 28 -1.919 -18.092 -9.070 1.00 0.00 N ATOM 378 CZ ARG A 28 -1.601 -19.027 -8.181 1.00 0.00 C ATOM 379 NH1 ARG A 28 -2.550 -19.621 -7.471 1.00 0.00 N ATOM 380 NH2 ARG A 28 -0.332 -19.369 -8.002 1.00 0.00 N ATOM 0 H ARG A 28 -1.322 -13.889 -9.851 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.973 -13.931 -10.803 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.411 -15.172 -8.560 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.159 -15.238 -8.460 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.229 -16.312 -10.715 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.477 -16.284 -10.768 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.818 -17.542 -8.383 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.813 -18.425 -9.897 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.165 -17.655 -9.601 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.527 -19.361 -7.607 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.303 -20.338 -6.789 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.401 -18.914 -8.547 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.089 -20.087 -7.319 1.00 0.00 H new ATOM 394 N ALA A 29 -3.456 -12.247 -8.014 1.00 0.00 N ATOM 395 CA ALA A 29 -4.048 -11.270 -7.107 1.00 0.00 C ATOM 396 C ALA A 29 -4.693 -10.125 -7.880 1.00 0.00 C ATOM 397 O ALA A 29 -5.879 -9.840 -7.712 1.00 0.00 O ATOM 398 CB ALA A 29 -2.995 -10.735 -6.148 1.00 0.00 C ATOM 0 H ALA A 29 -2.477 -12.462 -7.823 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.827 -11.770 -6.531 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.450 -10.007 -5.477 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.583 -11.558 -5.564 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.196 -10.256 -6.715 1.00 0.00 H new ATOM 404 N PHE A 30 -3.905 -9.470 -8.726 1.00 0.00 N ATOM 405 CA PHE A 30 -4.400 -8.354 -9.524 1.00 0.00 C ATOM 406 C PHE A 30 -5.559 -8.793 -10.413 1.00 0.00 C ATOM 407 O PHE A 30 -6.638 -8.202 -10.382 1.00 0.00 O ATOM 408 CB PHE A 30 -3.274 -7.774 -10.382 1.00 0.00 C ATOM 409 CG PHE A 30 -2.332 -6.889 -9.618 1.00 0.00 C ATOM 410 CD1 PHE A 30 -2.610 -5.542 -9.448 1.00 0.00 C ATOM 411 CD2 PHE A 30 -1.168 -7.404 -9.069 1.00 0.00 C ATOM 412 CE1 PHE A 30 -1.744 -4.725 -8.745 1.00 0.00 C ATOM 413 CE2 PHE A 30 -0.299 -6.591 -8.365 1.00 0.00 C ATOM 414 CZ PHE A 30 -0.588 -5.251 -8.202 1.00 0.00 C ATOM 0 H PHE A 30 -2.921 -9.693 -8.877 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.761 -7.584 -8.842 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.709 -8.593 -10.828 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.710 -7.204 -11.202 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.513 -5.126 -9.869 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.937 -8.452 -9.193 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.971 -3.677 -8.621 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.605 -7.004 -7.943 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.089 -4.615 -7.651 1.00 0.00 H new ATOM 424 N ALA A 31 -5.327 -9.833 -11.207 1.00 0.00 N ATOM 425 CA ALA A 31 -6.351 -10.353 -12.104 1.00 0.00 C ATOM 426 C ALA A 31 -7.657 -10.605 -11.359 1.00 0.00 C ATOM 427 O ALA A 31 -8.737 -10.257 -11.840 1.00 0.00 O ATOM 428 CB ALA A 31 -5.867 -11.631 -12.774 1.00 0.00 C ATOM 0 H ALA A 31 -4.438 -10.332 -11.247 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.541 -9.603 -12.872 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.642 -12.008 -13.441 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.964 -11.421 -13.348 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.647 -12.380 -12.013 1.00 0.00 H new ATOM 434 N THR A 32 -7.554 -11.214 -10.182 1.00 0.00 N ATOM 435 CA THR A 32 -8.727 -11.516 -9.371 1.00 0.00 C ATOM 436 C THR A 32 -9.495 -10.246 -9.023 1.00 0.00 C ATOM 437 O THR A 32 -10.726 -10.237 -9.012 1.00 0.00 O ATOM 438 CB THR A 32 -8.338 -12.241 -8.069 1.00 0.00 C ATOM 439 OG1 THR A 32 -7.592 -13.425 -8.371 1.00 0.00 O ATOM 440 CG2 THR A 32 -9.576 -12.607 -7.264 1.00 0.00 C ATOM 0 H THR A 32 -6.669 -11.508 -9.769 1.00 0.00 H new ATOM 0 HA THR A 32 -9.364 -12.171 -9.966 1.00 0.00 H new ATOM 0 HB THR A 32 -7.722 -11.567 -7.474 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.633 -13.223 -8.348 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.277 -13.118 -6.349 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.126 -11.701 -7.010 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.213 -13.265 -7.855 1.00 0.00 H new ATOM 448 N MET A 33 -8.761 -9.175 -8.739 1.00 0.00 N ATOM 449 CA MET A 33 -9.375 -7.898 -8.392 1.00 0.00 C ATOM 450 C MET A 33 -9.947 -7.216 -9.631 1.00 0.00 C ATOM 451 O MET A 33 -10.563 -6.155 -9.538 1.00 0.00 O ATOM 452 CB MET A 33 -8.352 -6.983 -7.718 1.00 0.00 C ATOM 453 CG MET A 33 -8.179 -7.255 -6.232 1.00 0.00 C ATOM 454 SD MET A 33 -9.712 -7.047 -5.305 1.00 0.00 S ATOM 455 CE MET A 33 -9.243 -5.750 -4.163 1.00 0.00 C ATOM 0 H MET A 33 -7.741 -9.166 -8.742 1.00 0.00 H new ATOM 0 HA MET A 33 -10.191 -8.092 -7.696 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.389 -7.100 -8.215 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.658 -5.946 -7.856 1.00 0.00 H new ATOM 0 HG2 MET A 33 -7.810 -8.271 -6.093 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.421 -6.583 -5.829 1.00 0.00 H new ATOM 0 HE1 MET A 33 -10.042 -5.011 -4.104 1.00 0.00 H new ATOM 0 HE2 MET A 33 -9.072 -6.179 -3.176 1.00 0.00 H new ATOM 0 HE3 MET A 33 -8.329 -5.270 -4.513 1.00 0.00 H new ATOM 465 N GLY A 34 -9.738 -7.832 -10.791 1.00 0.00 N ATOM 466 CA GLY A 34 -10.239 -7.268 -12.031 1.00 0.00 C ATOM 467 C GLY A 34 -9.249 -6.320 -12.678 1.00 0.00 C ATOM 468 O GLY A 34 -9.639 -5.304 -13.251 1.00 0.00 O ATOM 0 H GLY A 34 -9.231 -8.711 -10.894 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.472 -8.075 -12.726 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.171 -6.737 -11.835 1.00 0.00 H new ATOM 472 N GLU A 35 -7.965 -6.653 -12.585 1.00 0.00 N ATOM 473 CA GLU A 35 -6.917 -5.822 -13.165 1.00 0.00 C ATOM 474 C GLU A 35 -6.013 -6.644 -14.079 1.00 0.00 C ATOM 475 O GLU A 35 -5.686 -7.793 -13.778 1.00 0.00 O ATOM 476 CB GLU A 35 -6.085 -5.168 -12.060 1.00 0.00 C ATOM 477 CG GLU A 35 -6.666 -3.858 -11.554 1.00 0.00 C ATOM 478 CD GLU A 35 -7.107 -2.943 -12.680 1.00 0.00 C ATOM 479 OE1 GLU A 35 -6.511 -3.017 -13.774 1.00 0.00 O ATOM 480 OE2 GLU A 35 -8.050 -2.152 -12.465 1.00 0.00 O ATOM 0 H GLU A 35 -7.626 -7.492 -12.114 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.394 -5.043 -13.760 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.996 -5.863 -11.225 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.077 -4.988 -12.434 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.518 -4.068 -10.907 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.921 -3.346 -10.945 1.00 0.00 H new ATOM 487 N THR A 36 -5.613 -6.047 -15.197 1.00 0.00 N ATOM 488 CA THR A 36 -4.749 -6.724 -16.157 1.00 0.00 C ATOM 489 C THR A 36 -3.294 -6.304 -15.977 1.00 0.00 C ATOM 490 O THR A 36 -2.867 -5.271 -16.493 1.00 0.00 O ATOM 491 CB THR A 36 -5.181 -6.430 -17.606 1.00 0.00 C ATOM 492 OG1 THR A 36 -6.584 -6.674 -17.758 1.00 0.00 O ATOM 493 CG2 THR A 36 -4.402 -7.293 -18.588 1.00 0.00 C ATOM 0 H THR A 36 -5.873 -5.097 -15.460 1.00 0.00 H new ATOM 0 HA THR A 36 -4.842 -7.793 -15.968 1.00 0.00 H new ATOM 0 HB THR A 36 -4.970 -5.382 -17.820 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.851 -6.483 -18.681 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.724 -7.068 -19.605 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.337 -7.084 -18.490 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.587 -8.346 -18.373 1.00 0.00 H new ATOM 501 N VAL A 37 -2.536 -7.113 -15.244 1.00 0.00 N ATOM 502 CA VAL A 37 -1.128 -6.826 -14.998 1.00 0.00 C ATOM 503 C VAL A 37 -0.286 -7.105 -16.238 1.00 0.00 C ATOM 504 O VAL A 37 -0.533 -8.066 -16.965 1.00 0.00 O ATOM 505 CB VAL A 37 -0.582 -7.659 -13.823 1.00 0.00 C ATOM 506 CG1 VAL A 37 -0.203 -9.057 -14.289 1.00 0.00 C ATOM 507 CG2 VAL A 37 0.607 -6.961 -13.182 1.00 0.00 C ATOM 0 H VAL A 37 -2.873 -7.972 -14.810 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.060 -5.768 -14.746 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.367 -7.753 -13.072 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.181 -9.630 -13.445 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.082 -9.556 -14.697 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.565 -8.988 -15.060 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.980 -7.564 -12.354 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.397 -6.834 -13.922 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.298 -5.984 -12.810 1.00 0.00 H new ATOM 517 N MET A 38 0.711 -6.258 -16.472 1.00 0.00 N ATOM 518 CA MET A 38 1.591 -6.414 -17.624 1.00 0.00 C ATOM 519 C MET A 38 2.741 -7.365 -17.305 1.00 0.00 C ATOM 520 O MET A 38 3.034 -8.279 -18.075 1.00 0.00 O ATOM 521 CB MET A 38 2.144 -5.055 -18.059 1.00 0.00 C ATOM 522 CG MET A 38 1.091 -4.131 -18.648 1.00 0.00 C ATOM 523 SD MET A 38 0.442 -4.730 -20.220 1.00 0.00 S ATOM 524 CE MET A 38 -1.318 -4.725 -19.884 1.00 0.00 C ATOM 0 H MET A 38 0.930 -5.457 -15.879 1.00 0.00 H new ATOM 0 HA MET A 38 1.007 -6.839 -18.440 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.604 -4.567 -17.200 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.932 -5.211 -18.796 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.271 -4.022 -17.938 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.522 -3.140 -18.791 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.858 -5.072 -20.765 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.530 -5.387 -19.044 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.639 -3.713 -19.638 1.00 0.00 H new ATOM 534 N SER A 39 3.388 -7.142 -16.166 1.00 0.00 N ATOM 535 CA SER A 39 4.508 -7.977 -15.747 1.00 0.00 C ATOM 536 C SER A 39 4.726 -7.878 -14.240 1.00 0.00 C ATOM 537 O SER A 39 4.171 -7.002 -13.577 1.00 0.00 O ATOM 538 CB SER A 39 5.783 -7.565 -16.486 1.00 0.00 C ATOM 539 OG SER A 39 5.920 -8.278 -17.703 1.00 0.00 O ATOM 0 H SER A 39 3.156 -6.390 -15.517 1.00 0.00 H new ATOM 0 HA SER A 39 4.270 -9.011 -15.995 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.760 -6.494 -16.689 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.650 -7.751 -15.853 1.00 0.00 H new ATOM 0 HG SER A 39 5.034 -8.438 -18.090 1.00 0.00 H new ATOM 545 N VAL A 40 5.538 -8.785 -13.706 1.00 0.00 N ATOM 546 CA VAL A 40 5.831 -8.801 -12.278 1.00 0.00 C ATOM 547 C VAL A 40 7.236 -9.330 -12.011 1.00 0.00 C ATOM 548 O VAL A 40 7.658 -10.326 -12.598 1.00 0.00 O ATOM 549 CB VAL A 40 4.814 -9.663 -11.506 1.00 0.00 C ATOM 550 CG1 VAL A 40 4.537 -10.959 -12.252 1.00 0.00 C ATOM 551 CG2 VAL A 40 5.317 -9.946 -10.098 1.00 0.00 C ATOM 0 H VAL A 40 6.004 -9.518 -14.241 1.00 0.00 H new ATOM 0 HA VAL A 40 5.762 -7.771 -11.929 1.00 0.00 H new ATOM 0 HB VAL A 40 3.878 -9.109 -11.429 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.817 -11.555 -11.691 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.131 -10.732 -13.238 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.465 -11.521 -12.362 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.587 -10.556 -9.566 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.266 -10.480 -10.151 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.459 -9.005 -9.567 1.00 0.00 H new ATOM 561 N LYS A 41 7.956 -8.656 -11.121 1.00 0.00 N ATOM 562 CA LYS A 41 9.314 -9.058 -10.773 1.00 0.00 C ATOM 563 C LYS A 41 9.465 -9.214 -9.263 1.00 0.00 C ATOM 564 O LYS A 41 9.203 -8.281 -8.504 1.00 0.00 O ATOM 565 CB LYS A 41 10.321 -8.030 -11.293 1.00 0.00 C ATOM 566 CG LYS A 41 11.677 -8.625 -11.634 1.00 0.00 C ATOM 567 CD LYS A 41 12.753 -7.554 -11.707 1.00 0.00 C ATOM 568 CE LYS A 41 12.662 -6.760 -13.001 1.00 0.00 C ATOM 569 NZ LYS A 41 13.980 -6.191 -13.396 1.00 0.00 N ATOM 0 H LYS A 41 7.622 -7.828 -10.627 1.00 0.00 H new ATOM 0 HA LYS A 41 9.512 -10.022 -11.242 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.911 -7.549 -12.181 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.454 -7.252 -10.542 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.950 -9.366 -10.882 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.617 -9.147 -12.589 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.654 -6.879 -10.857 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.736 -8.019 -11.632 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.291 -7.405 -13.798 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.939 -5.953 -12.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.876 -5.657 -14.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.322 -5.556 -12.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.664 -6.962 -13.535 1.00 0.00 H new ATOM 583 N ILE A 42 9.892 -10.398 -8.835 1.00 0.00 N ATOM 584 CA ILE A 42 10.080 -10.674 -7.417 1.00 0.00 C ATOM 585 C ILE A 42 11.520 -10.408 -6.992 1.00 0.00 C ATOM 586 O ILE A 42 12.458 -10.977 -7.551 1.00 0.00 O ATOM 587 CB ILE A 42 9.717 -12.131 -7.074 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.374 -12.506 -7.704 1.00 0.00 C ATOM 589 CG2 ILE A 42 9.673 -12.325 -5.566 1.00 0.00 C ATOM 590 CD1 ILE A 42 7.188 -11.844 -7.038 1.00 0.00 C ATOM 0 H ILE A 42 10.114 -11.181 -9.450 1.00 0.00 H new ATOM 0 HA ILE A 42 9.413 -10.004 -6.874 1.00 0.00 H new ATOM 0 HB ILE A 42 10.485 -12.787 -7.483 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.388 -12.232 -8.759 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.249 -13.588 -7.657 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.415 -13.360 -5.340 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.649 -12.093 -5.141 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.923 -11.662 -5.136 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.270 -12.155 -7.537 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.149 -12.138 -5.989 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.289 -10.761 -7.108 1.00 0.00 H new ATOM 602 N ILE A 43 11.687 -9.541 -5.998 1.00 0.00 N ATOM 603 CA ILE A 43 13.013 -9.202 -5.496 1.00 0.00 C ATOM 604 C ILE A 43 13.476 -10.205 -4.446 1.00 0.00 C ATOM 605 O ILE A 43 12.903 -10.292 -3.360 1.00 0.00 O ATOM 606 CB ILE A 43 13.039 -7.788 -4.886 1.00 0.00 C ATOM 607 CG1 ILE A 43 12.588 -6.754 -5.920 1.00 0.00 C ATOM 608 CG2 ILE A 43 14.432 -7.458 -4.372 1.00 0.00 C ATOM 609 CD1 ILE A 43 13.069 -7.053 -7.322 1.00 0.00 C ATOM 0 H ILE A 43 10.921 -9.061 -5.525 1.00 0.00 H new ATOM 0 HA ILE A 43 13.691 -9.234 -6.349 1.00 0.00 H new ATOM 0 HB ILE A 43 12.346 -7.759 -4.045 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.499 -6.704 -5.921 1.00 0.00 H new ATOM 0 HG13 ILE A 43 12.952 -5.771 -5.622 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.434 -6.456 -3.944 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.718 -8.180 -3.607 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.144 -7.502 -5.196 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.712 -6.279 -8.002 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.159 -7.074 -7.336 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.683 -8.022 -7.640 1.00 0.00 H new ATOM 621 N ARG A 44 14.518 -10.961 -4.777 1.00 0.00 N ATOM 622 CA ARG A 44 15.060 -11.959 -3.861 1.00 0.00 C ATOM 623 C ARG A 44 16.580 -11.858 -3.785 1.00 0.00 C ATOM 624 O ARG A 44 17.224 -11.335 -4.694 1.00 0.00 O ATOM 625 CB ARG A 44 14.653 -13.364 -4.307 1.00 0.00 C ATOM 626 CG ARG A 44 13.223 -13.453 -4.814 1.00 0.00 C ATOM 627 CD ARG A 44 12.827 -14.889 -5.117 1.00 0.00 C ATOM 628 NE ARG A 44 13.220 -15.293 -6.464 1.00 0.00 N ATOM 629 CZ ARG A 44 12.774 -16.392 -7.062 1.00 0.00 C ATOM 630 NH1 ARG A 44 11.924 -17.193 -6.435 1.00 0.00 N ATOM 631 NH2 ARG A 44 13.178 -16.692 -8.290 1.00 0.00 N ATOM 0 H ARG A 44 15.004 -10.902 -5.672 1.00 0.00 H new ATOM 0 HA ARG A 44 14.651 -11.767 -2.869 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.330 -13.696 -5.094 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.776 -14.051 -3.470 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.545 -13.037 -4.068 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.117 -12.848 -5.714 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.291 -15.554 -4.389 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.748 -14.999 -5.006 1.00 0.00 H new ATOM 0 HE ARG A 44 13.873 -14.698 -6.974 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.611 -16.966 -5.491 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.583 -18.036 -6.896 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.832 -16.078 -8.776 1.00 0.00 H new ATOM 0 HH22 ARG A 44 12.835 -17.536 -8.748 1.00 0.00 H new ATOM 645 N ASN A 45 17.148 -12.362 -2.694 1.00 0.00 N ATOM 646 CA ASN A 45 18.592 -12.328 -2.498 1.00 0.00 C ATOM 647 C ASN A 45 19.278 -13.416 -3.318 1.00 0.00 C ATOM 648 O ASN A 45 18.659 -14.415 -3.684 1.00 0.00 O ATOM 649 CB ASN A 45 18.931 -12.500 -1.016 1.00 0.00 C ATOM 650 CG ASN A 45 20.214 -11.788 -0.630 1.00 0.00 C ATOM 651 OD1 ASN A 45 21.298 -12.369 -0.679 1.00 0.00 O ATOM 652 ND2 ASN A 45 20.095 -10.523 -0.243 1.00 0.00 N ATOM 0 H ASN A 45 16.629 -12.799 -1.932 1.00 0.00 H new ATOM 0 HA ASN A 45 18.957 -11.358 -2.837 1.00 0.00 H new ATOM 0 HB2 ASN A 45 18.109 -12.116 -0.411 1.00 0.00 H new ATOM 0 HB3 ASN A 45 19.025 -13.562 -0.788 1.00 0.00 H new ATOM 0 HD21 ASN A 45 20.923 -9.993 0.029 1.00 0.00 H new ATOM 0 HD22 ASN A 45 19.176 -10.082 -0.218 1.00 0.00 H new ATOM 659 N ARG A 46 20.561 -13.216 -3.602 1.00 0.00 N ATOM 660 CA ARG A 46 21.331 -14.179 -4.379 1.00 0.00 C ATOM 661 C ARG A 46 22.090 -15.135 -3.462 1.00 0.00 C ATOM 662 O ARG A 46 22.688 -16.109 -3.921 1.00 0.00 O ATOM 663 CB ARG A 46 22.313 -13.455 -5.302 1.00 0.00 C ATOM 664 CG ARG A 46 21.721 -13.089 -6.653 1.00 0.00 C ATOM 665 CD ARG A 46 20.971 -11.767 -6.594 1.00 0.00 C ATOM 666 NE ARG A 46 20.158 -11.545 -7.786 1.00 0.00 N ATOM 667 CZ ARG A 46 19.624 -10.371 -8.104 1.00 0.00 C ATOM 668 NH1 ARG A 46 19.817 -9.318 -7.321 1.00 0.00 N ATOM 669 NH2 ARG A 46 18.895 -10.248 -9.206 1.00 0.00 N ATOM 0 H ARG A 46 21.089 -12.395 -3.305 1.00 0.00 H new ATOM 0 HA ARG A 46 20.634 -14.759 -4.984 1.00 0.00 H new ATOM 0 HB2 ARG A 46 22.660 -12.547 -4.809 1.00 0.00 H new ATOM 0 HB3 ARG A 46 23.187 -14.088 -5.457 1.00 0.00 H new ATOM 0 HG2 ARG A 46 22.517 -13.024 -7.395 1.00 0.00 H new ATOM 0 HG3 ARG A 46 21.044 -13.878 -6.981 1.00 0.00 H new ATOM 0 HD2 ARG A 46 20.332 -11.752 -5.711 1.00 0.00 H new ATOM 0 HD3 ARG A 46 21.684 -10.950 -6.485 1.00 0.00 H new ATOM 0 HE ARG A 46 19.991 -12.335 -8.409 1.00 0.00 H new ATOM 0 HH11 ARG A 46 20.376 -9.409 -6.473 1.00 0.00 H new ATOM 0 HH12 ARG A 46 19.406 -8.417 -7.567 1.00 0.00 H new ATOM 0 HH21 ARG A 46 18.744 -11.056 -9.810 1.00 0.00 H new ATOM 0 HH22 ARG A 46 18.486 -9.346 -9.449 1.00 0.00 H new ATOM 683 N LEU A 47 22.061 -14.849 -2.165 1.00 0.00 N ATOM 684 CA LEU A 47 22.746 -15.682 -1.183 1.00 0.00 C ATOM 685 C LEU A 47 21.761 -16.599 -0.465 1.00 0.00 C ATOM 686 O LEU A 47 22.022 -17.789 -0.282 1.00 0.00 O ATOM 687 CB LEU A 47 23.480 -14.807 -0.165 1.00 0.00 C ATOM 688 CG LEU A 47 24.868 -14.317 -0.580 1.00 0.00 C ATOM 689 CD1 LEU A 47 25.820 -15.491 -0.749 1.00 0.00 C ATOM 690 CD2 LEU A 47 24.786 -13.505 -1.864 1.00 0.00 C ATOM 0 H LEU A 47 21.571 -14.047 -1.769 1.00 0.00 H new ATOM 0 HA LEU A 47 23.472 -16.300 -1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 47 22.859 -13.938 0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.577 -15.369 0.764 1.00 0.00 H new ATOM 0 HG LEU A 47 25.255 -13.672 0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.803 -15.123 -1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 47 25.903 -16.031 0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 47 25.437 -16.162 -1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 47 25.783 -13.165 -2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 47 24.377 -14.126 -2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 47 24.139 -12.642 -1.708 1.00 0.00 H new ATOM 702 N THR A 48 20.625 -16.038 -0.060 1.00 0.00 N ATOM 703 CA THR A 48 19.600 -16.804 0.637 1.00 0.00 C ATOM 704 C THR A 48 18.471 -17.201 -0.309 1.00 0.00 C ATOM 705 O THR A 48 17.888 -18.276 -0.178 1.00 0.00 O ATOM 706 CB THR A 48 19.010 -16.010 1.817 1.00 0.00 C ATOM 707 OG1 THR A 48 18.392 -14.810 1.340 1.00 0.00 O ATOM 708 CG2 THR A 48 20.091 -15.662 2.829 1.00 0.00 C ATOM 0 H THR A 48 20.392 -15.055 -0.203 1.00 0.00 H new ATOM 0 HA THR A 48 20.083 -17.703 1.019 1.00 0.00 H new ATOM 0 HB THR A 48 18.262 -16.633 2.308 1.00 0.00 H new ATOM 0 HG1 THR A 48 18.018 -14.312 2.096 1.00 0.00 H new ATOM 0 HG21 THR A 48 19.651 -15.101 3.653 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.539 -16.579 3.212 1.00 0.00 H new ATOM 0 HG23 THR A 48 20.859 -15.056 2.348 1.00 0.00 H new ATOM 716 N GLY A 49 18.169 -16.324 -1.262 1.00 0.00 N ATOM 717 CA GLY A 49 17.112 -16.602 -2.216 1.00 0.00 C ATOM 718 C GLY A 49 15.748 -16.172 -1.712 1.00 0.00 C ATOM 719 O GLY A 49 14.750 -16.292 -2.423 1.00 0.00 O ATOM 0 H GLY A 49 18.637 -15.427 -1.390 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.328 -16.089 -3.153 1.00 0.00 H new ATOM 0 HA3 GLY A 49 17.095 -17.670 -2.434 1.00 0.00 H new ATOM 723 N ILE A 50 15.705 -15.671 -0.482 1.00 0.00 N ATOM 724 CA ILE A 50 14.454 -15.223 0.116 1.00 0.00 C ATOM 725 C ILE A 50 14.018 -13.881 -0.461 1.00 0.00 C ATOM 726 O ILE A 50 14.803 -12.939 -0.568 1.00 0.00 O ATOM 727 CB ILE A 50 14.575 -15.096 1.646 1.00 0.00 C ATOM 728 CG1 ILE A 50 14.923 -16.451 2.267 1.00 0.00 C ATOM 729 CG2 ILE A 50 13.283 -14.553 2.237 1.00 0.00 C ATOM 730 CD1 ILE A 50 15.138 -16.393 3.763 1.00 0.00 C ATOM 0 H ILE A 50 16.522 -15.565 0.119 1.00 0.00 H new ATOM 0 HA ILE A 50 13.704 -15.978 -0.120 1.00 0.00 H new ATOM 0 HB ILE A 50 15.378 -14.396 1.874 1.00 0.00 H new ATOM 0 HG12 ILE A 50 14.122 -17.157 2.050 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.825 -16.838 1.793 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.385 -14.469 3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.075 -13.570 1.815 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.462 -15.230 2.001 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.381 -17.389 4.135 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.959 -15.712 3.986 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.229 -16.037 4.248 1.00 0.00 H new ATOM 742 N PRO A 51 12.735 -13.789 -0.841 1.00 0.00 N ATOM 743 CA PRO A 51 12.165 -12.565 -1.412 1.00 0.00 C ATOM 744 C PRO A 51 12.042 -11.447 -0.382 1.00 0.00 C ATOM 745 O PRO A 51 11.335 -11.585 0.616 1.00 0.00 O ATOM 746 CB PRO A 51 10.779 -13.008 -1.888 1.00 0.00 C ATOM 747 CG PRO A 51 10.440 -14.178 -1.030 1.00 0.00 C ATOM 748 CD PRO A 51 11.742 -14.872 -0.742 1.00 0.00 C ATOM 0 HA PRO A 51 12.792 -12.154 -2.203 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.047 -12.208 -1.774 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.791 -13.281 -2.943 1.00 0.00 H new ATOM 0 HG2 PRO A 51 9.956 -13.858 -0.107 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.746 -14.847 -1.539 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.743 -15.329 0.247 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.941 -15.667 -1.461 1.00 0.00 H new ATOM 756 N ALA A 52 12.734 -10.340 -0.632 1.00 0.00 N ATOM 757 CA ALA A 52 12.700 -9.198 0.273 1.00 0.00 C ATOM 758 C ALA A 52 11.306 -9.006 0.862 1.00 0.00 C ATOM 759 O ALA A 52 11.156 -8.508 1.977 1.00 0.00 O ATOM 760 CB ALA A 52 13.147 -7.937 -0.452 1.00 0.00 C ATOM 0 H ALA A 52 13.325 -10.210 -1.453 1.00 0.00 H new ATOM 0 HA ALA A 52 13.389 -9.395 1.094 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.117 -7.092 0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.165 -8.070 -0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.480 -7.745 -1.293 1.00 0.00 H new ATOM 766 N GLY A 53 10.288 -9.403 0.105 1.00 0.00 N ATOM 767 CA GLY A 53 8.920 -9.265 0.569 1.00 0.00 C ATOM 768 C GLY A 53 8.123 -8.279 -0.262 1.00 0.00 C ATOM 769 O GLY A 53 7.052 -7.832 0.150 1.00 0.00 O ATOM 0 H GLY A 53 10.386 -9.818 -0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.430 -10.238 0.541 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.923 -8.939 1.609 1.00 0.00 H new ATOM 773 N TYR A 54 8.645 -7.939 -1.435 1.00 0.00 N ATOM 774 CA TYR A 54 7.977 -6.996 -2.325 1.00 0.00 C ATOM 775 C TYR A 54 8.294 -7.306 -3.785 1.00 0.00 C ATOM 776 O TYR A 54 9.321 -7.912 -4.093 1.00 0.00 O ATOM 777 CB TYR A 54 8.397 -5.563 -1.993 1.00 0.00 C ATOM 778 CG TYR A 54 9.810 -5.233 -2.418 1.00 0.00 C ATOM 779 CD1 TYR A 54 10.077 -4.737 -3.687 1.00 0.00 C ATOM 780 CD2 TYR A 54 10.879 -5.418 -1.549 1.00 0.00 C ATOM 781 CE1 TYR A 54 11.367 -4.435 -4.080 1.00 0.00 C ATOM 782 CE2 TYR A 54 12.171 -5.117 -1.932 1.00 0.00 C ATOM 783 CZ TYR A 54 12.411 -4.626 -3.198 1.00 0.00 C ATOM 784 OH TYR A 54 13.696 -4.325 -3.585 1.00 0.00 O ATOM 0 H TYR A 54 9.529 -8.302 -1.792 1.00 0.00 H new ATOM 0 HA TYR A 54 6.902 -7.096 -2.177 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.709 -4.870 -2.478 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.303 -5.405 -0.919 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.262 -4.584 -4.379 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.696 -5.804 -0.557 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.557 -4.052 -5.072 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.990 -5.265 -1.243 1.00 0.00 H new ATOM 0 HH TYR A 54 14.313 -4.515 -2.848 1.00 0.00 H new ATOM 794 N CYS A 55 7.405 -6.886 -4.678 1.00 0.00 N ATOM 795 CA CYS A 55 7.588 -7.118 -6.106 1.00 0.00 C ATOM 796 C CYS A 55 7.072 -5.936 -6.920 1.00 0.00 C ATOM 797 O CYS A 55 6.148 -5.237 -6.502 1.00 0.00 O ATOM 798 CB CYS A 55 6.870 -8.399 -6.532 1.00 0.00 C ATOM 799 SG CYS A 55 5.089 -8.201 -6.773 1.00 0.00 S ATOM 0 H CYS A 55 6.550 -6.383 -4.438 1.00 0.00 H new ATOM 0 HA CYS A 55 8.655 -7.228 -6.297 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.314 -8.760 -7.460 1.00 0.00 H new ATOM 0 HB3 CYS A 55 7.041 -9.167 -5.777 1.00 0.00 H new ATOM 0 HG CYS A 55 4.865 -7.666 -7.936 1.00 0.00 H new ATOM 805 N PHE A 56 7.675 -5.716 -8.083 1.00 0.00 N ATOM 806 CA PHE A 56 7.278 -4.617 -8.955 1.00 0.00 C ATOM 807 C PHE A 56 6.320 -5.101 -10.040 1.00 0.00 C ATOM 808 O PHE A 56 6.502 -6.177 -10.609 1.00 0.00 O ATOM 809 CB PHE A 56 8.510 -3.976 -9.596 1.00 0.00 C ATOM 810 CG PHE A 56 9.359 -3.205 -8.625 1.00 0.00 C ATOM 811 CD1 PHE A 56 8.963 -1.954 -8.181 1.00 0.00 C ATOM 812 CD2 PHE A 56 10.552 -3.732 -8.158 1.00 0.00 C ATOM 813 CE1 PHE A 56 9.741 -1.242 -7.287 1.00 0.00 C ATOM 814 CE2 PHE A 56 11.334 -3.025 -7.265 1.00 0.00 C ATOM 815 CZ PHE A 56 10.929 -1.778 -6.829 1.00 0.00 C ATOM 0 H PHE A 56 8.441 -6.285 -8.444 1.00 0.00 H new ATOM 0 HA PHE A 56 6.764 -3.872 -8.347 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.117 -4.755 -10.057 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.188 -3.308 -10.395 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.036 -1.530 -8.537 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.874 -4.706 -8.496 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.420 -0.268 -6.947 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.262 -3.447 -6.908 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.540 -1.224 -6.132 1.00 0.00 H new ATOM 825 N VAL A 57 5.298 -4.298 -10.320 1.00 0.00 N ATOM 826 CA VAL A 57 4.312 -4.644 -11.336 1.00 0.00 C ATOM 827 C VAL A 57 4.265 -3.591 -12.438 1.00 0.00 C ATOM 828 O VAL A 57 4.219 -2.392 -12.162 1.00 0.00 O ATOM 829 CB VAL A 57 2.906 -4.794 -10.725 1.00 0.00 C ATOM 830 CG1 VAL A 57 2.649 -6.238 -10.323 1.00 0.00 C ATOM 831 CG2 VAL A 57 2.741 -3.862 -9.534 1.00 0.00 C ATOM 0 H VAL A 57 5.132 -3.404 -9.858 1.00 0.00 H new ATOM 0 HA VAL A 57 4.619 -5.599 -11.763 1.00 0.00 H new ATOM 0 HB VAL A 57 2.170 -4.516 -11.479 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.651 -6.324 -9.893 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.722 -6.879 -11.202 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.389 -6.548 -9.585 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.742 -3.981 -9.115 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.485 -4.106 -8.775 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.878 -2.830 -9.858 1.00 0.00 H new ATOM 841 N GLU A 58 4.278 -4.047 -13.686 1.00 0.00 N ATOM 842 CA GLU A 58 4.238 -3.143 -14.830 1.00 0.00 C ATOM 843 C GLU A 58 2.813 -2.988 -15.351 1.00 0.00 C ATOM 844 O GLU A 58 1.978 -3.877 -15.181 1.00 0.00 O ATOM 845 CB GLU A 58 5.148 -3.658 -15.947 1.00 0.00 C ATOM 846 CG GLU A 58 5.611 -2.572 -16.903 1.00 0.00 C ATOM 847 CD GLU A 58 6.931 -2.906 -17.571 1.00 0.00 C ATOM 848 OE1 GLU A 58 7.136 -4.086 -17.924 1.00 0.00 O ATOM 849 OE2 GLU A 58 7.759 -1.987 -17.741 1.00 0.00 O ATOM 0 H GLU A 58 4.316 -5.036 -13.931 1.00 0.00 H new ATOM 0 HA GLU A 58 4.595 -2.167 -14.502 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.021 -4.135 -15.502 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.618 -4.425 -16.511 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.850 -2.418 -17.668 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.711 -1.633 -16.359 1.00 0.00 H new ATOM 856 N PHE A 59 2.541 -1.852 -15.985 1.00 0.00 N ATOM 857 CA PHE A 59 1.216 -1.579 -16.530 1.00 0.00 C ATOM 858 C PHE A 59 1.317 -0.802 -17.840 1.00 0.00 C ATOM 859 O PHE A 59 2.393 -0.342 -18.220 1.00 0.00 O ATOM 860 CB PHE A 59 0.379 -0.792 -15.520 1.00 0.00 C ATOM 861 CG PHE A 59 -0.073 -1.614 -14.347 1.00 0.00 C ATOM 862 CD1 PHE A 59 0.738 -1.760 -13.233 1.00 0.00 C ATOM 863 CD2 PHE A 59 -1.309 -2.241 -14.358 1.00 0.00 C ATOM 864 CE1 PHE A 59 0.325 -2.515 -12.152 1.00 0.00 C ATOM 865 CE2 PHE A 59 -1.727 -2.997 -13.280 1.00 0.00 C ATOM 866 CZ PHE A 59 -0.909 -3.135 -12.176 1.00 0.00 C ATOM 0 H PHE A 59 3.220 -1.106 -16.134 1.00 0.00 H new ATOM 0 HA PHE A 59 0.728 -2.533 -16.730 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.963 0.054 -15.157 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.496 -0.383 -16.025 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.704 -1.278 -13.209 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.953 -2.137 -15.219 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.966 -2.620 -11.289 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.693 -3.480 -13.301 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.234 -3.727 -11.333 1.00 0.00 H new ATOM 876 N ALA A 60 0.187 -0.659 -18.524 1.00 0.00 N ATOM 877 CA ALA A 60 0.146 0.063 -19.790 1.00 0.00 C ATOM 878 C ALA A 60 0.878 1.397 -19.685 1.00 0.00 C ATOM 879 O ALA A 60 1.787 1.680 -20.464 1.00 0.00 O ATOM 880 CB ALA A 60 -1.295 0.282 -20.227 1.00 0.00 C ATOM 0 H ALA A 60 -0.713 -1.034 -18.223 1.00 0.00 H new ATOM 0 HA ALA A 60 0.653 -0.542 -20.541 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.310 0.822 -21.174 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.788 -0.682 -20.352 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.821 0.863 -19.469 1.00 0.00 H new ATOM 886 N ASP A 61 0.474 2.212 -18.716 1.00 0.00 N ATOM 887 CA ASP A 61 1.092 3.517 -18.509 1.00 0.00 C ATOM 888 C ASP A 61 0.820 4.029 -17.098 1.00 0.00 C ATOM 889 O ASP A 61 0.059 3.422 -16.342 1.00 0.00 O ATOM 890 CB ASP A 61 0.571 4.521 -19.538 1.00 0.00 C ATOM 891 CG ASP A 61 0.529 3.945 -20.940 1.00 0.00 C ATOM 892 OD1 ASP A 61 -0.360 3.111 -21.212 1.00 0.00 O ATOM 893 OD2 ASP A 61 1.386 4.327 -21.764 1.00 0.00 O ATOM 0 H ASP A 61 -0.278 1.992 -18.062 1.00 0.00 H new ATOM 0 HA ASP A 61 2.169 3.406 -18.635 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.430 4.844 -19.251 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.206 5.407 -19.531 1.00 0.00 H new ATOM 898 N LEU A 62 1.446 5.147 -16.749 1.00 0.00 N ATOM 899 CA LEU A 62 1.273 5.740 -15.427 1.00 0.00 C ATOM 900 C LEU A 62 -0.202 6.000 -15.136 1.00 0.00 C ATOM 901 O LEU A 62 -0.706 5.646 -14.071 1.00 0.00 O ATOM 902 CB LEU A 62 2.063 7.046 -15.325 1.00 0.00 C ATOM 903 CG LEU A 62 2.026 7.749 -13.968 1.00 0.00 C ATOM 904 CD1 LEU A 62 2.731 6.910 -12.914 1.00 0.00 C ATOM 905 CD2 LEU A 62 2.659 9.129 -14.064 1.00 0.00 C ATOM 0 H LEU A 62 2.078 5.661 -17.363 1.00 0.00 H new ATOM 0 HA LEU A 62 1.652 5.035 -14.687 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.103 6.838 -15.576 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.685 7.736 -16.079 1.00 0.00 H new ATOM 0 HG LEU A 62 0.984 7.869 -13.671 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.695 7.426 -11.954 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.234 5.944 -12.826 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.770 6.758 -13.205 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.624 9.614 -13.089 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.697 9.032 -14.383 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.111 9.731 -14.789 1.00 0.00 H new ATOM 917 N ALA A 63 -0.887 6.620 -16.091 1.00 0.00 N ATOM 918 CA ALA A 63 -2.305 6.923 -15.939 1.00 0.00 C ATOM 919 C ALA A 63 -3.074 5.711 -15.425 1.00 0.00 C ATOM 920 O ALA A 63 -3.741 5.778 -14.392 1.00 0.00 O ATOM 921 CB ALA A 63 -2.888 7.398 -17.262 1.00 0.00 C ATOM 0 H ALA A 63 -0.483 6.922 -16.978 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.403 7.721 -15.203 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.947 7.621 -17.134 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.365 8.297 -17.588 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.770 6.617 -18.013 1.00 0.00 H new ATOM 927 N THR A 64 -2.977 4.602 -16.152 1.00 0.00 N ATOM 928 CA THR A 64 -3.665 3.375 -15.770 1.00 0.00 C ATOM 929 C THR A 64 -3.204 2.890 -14.401 1.00 0.00 C ATOM 930 O THR A 64 -4.014 2.471 -13.575 1.00 0.00 O ATOM 931 CB THR A 64 -3.433 2.257 -16.804 1.00 0.00 C ATOM 932 OG1 THR A 64 -4.031 2.614 -18.055 1.00 0.00 O ATOM 933 CG2 THR A 64 -4.017 0.939 -16.315 1.00 0.00 C ATOM 0 H THR A 64 -2.428 4.529 -17.009 1.00 0.00 H new ATOM 0 HA THR A 64 -4.729 3.608 -15.730 1.00 0.00 H new ATOM 0 HB THR A 64 -2.358 2.134 -16.938 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.877 1.899 -18.707 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.841 0.164 -17.061 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.539 0.655 -15.377 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.089 1.053 -16.156 1.00 0.00 H new ATOM 941 N ALA A 65 -1.897 2.950 -14.166 1.00 0.00 N ATOM 942 CA ALA A 65 -1.329 2.518 -12.895 1.00 0.00 C ATOM 943 C ALA A 65 -1.996 3.233 -11.725 1.00 0.00 C ATOM 944 O ALA A 65 -2.304 2.618 -10.704 1.00 0.00 O ATOM 945 CB ALA A 65 0.173 2.763 -12.878 1.00 0.00 C ATOM 0 H ALA A 65 -1.212 3.294 -14.839 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.513 1.449 -12.787 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.584 2.436 -11.923 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.642 2.202 -13.686 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.370 3.827 -13.012 1.00 0.00 H new ATOM 951 N GLU A 66 -2.217 4.535 -11.880 1.00 0.00 N ATOM 952 CA GLU A 66 -2.846 5.332 -10.834 1.00 0.00 C ATOM 953 C GLU A 66 -4.237 4.797 -10.504 1.00 0.00 C ATOM 954 O GLU A 66 -4.474 4.283 -9.411 1.00 0.00 O ATOM 955 CB GLU A 66 -2.941 6.797 -11.266 1.00 0.00 C ATOM 956 CG GLU A 66 -1.733 7.628 -10.868 1.00 0.00 C ATOM 957 CD GLU A 66 -1.628 8.919 -11.657 1.00 0.00 C ATOM 958 OE1 GLU A 66 -2.531 9.772 -11.523 1.00 0.00 O ATOM 959 OE2 GLU A 66 -0.643 9.077 -12.407 1.00 0.00 O ATOM 0 H GLU A 66 -1.970 5.059 -12.719 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.227 5.263 -9.939 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.061 6.841 -12.348 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.836 7.239 -10.828 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.791 7.860 -9.805 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.827 7.040 -11.017 1.00 0.00 H new ATOM 966 N LYS A 67 -5.154 4.921 -11.458 1.00 0.00 N ATOM 967 CA LYS A 67 -6.521 4.450 -11.272 1.00 0.00 C ATOM 968 C LYS A 67 -6.539 2.985 -10.847 1.00 0.00 C ATOM 969 O LYS A 67 -7.460 2.539 -10.162 1.00 0.00 O ATOM 970 CB LYS A 67 -7.324 4.628 -12.563 1.00 0.00 C ATOM 971 CG LYS A 67 -7.537 6.080 -12.952 1.00 0.00 C ATOM 972 CD LYS A 67 -6.390 6.605 -13.800 1.00 0.00 C ATOM 973 CE LYS A 67 -6.836 7.754 -14.691 1.00 0.00 C ATOM 974 NZ LYS A 67 -7.021 9.014 -13.920 1.00 0.00 N ATOM 0 H LYS A 67 -4.975 5.344 -12.369 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.979 5.045 -10.482 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.809 4.115 -13.375 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.295 4.146 -12.447 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.472 6.176 -13.504 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.634 6.688 -12.053 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.580 6.939 -13.152 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.993 5.798 -14.416 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.096 7.914 -15.475 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.771 7.489 -15.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.325 9.773 -14.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.745 8.870 -13.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.122 9.281 -13.470 1.00 0.00 H new ATOM 988 N CYS A 68 -5.516 2.243 -11.256 1.00 0.00 N ATOM 989 CA CYS A 68 -5.414 0.828 -10.917 1.00 0.00 C ATOM 990 C CYS A 68 -4.739 0.641 -9.562 1.00 0.00 C ATOM 991 O CYS A 68 -4.819 -0.430 -8.959 1.00 0.00 O ATOM 992 CB CYS A 68 -4.632 0.079 -11.997 1.00 0.00 C ATOM 993 SG CYS A 68 -5.576 -0.235 -13.507 1.00 0.00 S ATOM 0 H CYS A 68 -4.746 2.598 -11.823 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.423 0.420 -10.860 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.742 0.654 -12.251 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.291 -0.873 -11.590 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.563 -1.508 -13.770 1.00 0.00 H new ATOM 999 N LEU A 69 -4.073 1.689 -9.089 1.00 0.00 N ATOM 1000 CA LEU A 69 -3.382 1.640 -7.805 1.00 0.00 C ATOM 1001 C LEU A 69 -4.277 2.161 -6.685 1.00 0.00 C ATOM 1002 O LEU A 69 -4.086 1.825 -5.516 1.00 0.00 O ATOM 1003 CB LEU A 69 -2.092 2.460 -7.866 1.00 0.00 C ATOM 1004 CG LEU A 69 -1.599 3.035 -6.538 1.00 0.00 C ATOM 1005 CD1 LEU A 69 -0.939 1.951 -5.700 1.00 0.00 C ATOM 1006 CD2 LEU A 69 -0.634 4.186 -6.781 1.00 0.00 C ATOM 0 H LEU A 69 -3.997 2.582 -9.575 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.134 0.600 -7.593 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.305 1.831 -8.281 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.242 3.285 -8.563 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.458 3.418 -5.988 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.594 2.378 -4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.660 1.159 -5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.089 1.538 -6.244 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.293 4.583 -5.825 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.223 3.828 -7.351 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.140 4.973 -7.341 1.00 0.00 H new ATOM 1018 N HIS A 70 -5.256 2.983 -7.050 1.00 0.00 N ATOM 1019 CA HIS A 70 -6.183 3.549 -6.077 1.00 0.00 C ATOM 1020 C HIS A 70 -7.404 2.651 -5.904 1.00 0.00 C ATOM 1021 O HIS A 70 -8.147 2.775 -4.930 1.00 0.00 O ATOM 1022 CB HIS A 70 -6.621 4.948 -6.511 1.00 0.00 C ATOM 1023 CG HIS A 70 -5.540 5.977 -6.394 1.00 0.00 C ATOM 1024 ND1 HIS A 70 -5.233 6.615 -5.211 1.00 0.00 N ATOM 1025 CD2 HIS A 70 -4.691 6.478 -7.321 1.00 0.00 C ATOM 1026 CE1 HIS A 70 -4.242 7.465 -5.415 1.00 0.00 C ATOM 1027 NE2 HIS A 70 -3.895 7.401 -6.688 1.00 0.00 N ATOM 0 H HIS A 70 -5.428 3.272 -8.013 1.00 0.00 H new ATOM 0 HA HIS A 70 -5.667 3.620 -5.119 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.963 4.908 -7.545 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.473 5.257 -5.905 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.647 6.203 -8.365 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.793 8.103 -4.668 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -3.156 7.948 -7.129 1.00 0.00 H new ATOM 1035 N LYS A 71 -7.606 1.746 -6.855 1.00 0.00 N ATOM 1036 CA LYS A 71 -8.737 0.826 -6.809 1.00 0.00 C ATOM 1037 C LYS A 71 -8.430 -0.369 -5.911 1.00 0.00 C ATOM 1038 O LYS A 71 -9.337 -1.076 -5.472 1.00 0.00 O ATOM 1039 CB LYS A 71 -9.084 0.341 -8.219 1.00 0.00 C ATOM 1040 CG LYS A 71 -7.941 -0.377 -8.914 1.00 0.00 C ATOM 1041 CD LYS A 71 -7.947 -1.864 -8.605 1.00 0.00 C ATOM 1042 CE LYS A 71 -9.064 -2.584 -9.345 1.00 0.00 C ATOM 1043 NZ LYS A 71 -9.236 -3.983 -8.866 1.00 0.00 N ATOM 0 H LYS A 71 -7.001 1.629 -7.668 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.591 1.361 -6.394 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.942 -0.329 -8.163 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.386 1.196 -8.824 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.018 -0.228 -9.991 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.992 0.057 -8.599 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.987 -2.298 -8.883 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.065 -2.013 -7.532 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.998 -2.038 -9.213 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.847 -2.590 -10.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.018 -4.433 -9.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.359 -4.517 -9.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.452 -3.978 -7.849 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.147 -0.586 -5.641 1.00 0.00 N ATOM 1058 CA ILE A 72 -6.723 -1.693 -4.794 1.00 0.00 C ATOM 1059 C ILE A 72 -5.932 -1.192 -3.590 1.00 0.00 C ATOM 1060 O ILE A 72 -5.615 -1.957 -2.680 1.00 0.00 O ATOM 1061 CB ILE A 72 -5.861 -2.702 -5.575 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -5.098 -1.994 -6.697 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -6.730 -3.816 -6.139 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -4.412 -2.943 -7.654 1.00 0.00 C ATOM 0 H ILE A 72 -6.384 -0.010 -5.997 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.629 -2.191 -4.450 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.136 -3.144 -4.891 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.791 -1.365 -7.256 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.352 -1.333 -6.257 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.106 -4.521 -6.688 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.232 -4.335 -5.322 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.476 -3.391 -6.811 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.891 -2.372 -8.422 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.694 -3.555 -7.108 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.156 -3.588 -8.123 1.00 0.00 H new ATOM 1076 N ASN A 73 -5.618 0.100 -3.591 1.00 0.00 N ATOM 1077 CA ASN A 73 -4.866 0.705 -2.498 1.00 0.00 C ATOM 1078 C ASN A 73 -5.711 0.777 -1.230 1.00 0.00 C ATOM 1079 O ASN A 73 -6.305 1.810 -0.925 1.00 0.00 O ATOM 1080 CB ASN A 73 -4.394 2.106 -2.890 1.00 0.00 C ATOM 1081 CG ASN A 73 -4.174 3.000 -1.685 1.00 0.00 C ATOM 1082 OD1 ASN A 73 -4.998 3.864 -1.381 1.00 0.00 O ATOM 1083 ND2 ASN A 73 -3.059 2.798 -0.993 1.00 0.00 N ATOM 0 H ASN A 73 -5.873 0.748 -4.337 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.997 0.079 -2.298 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.466 2.029 -3.456 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.132 2.564 -3.549 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.857 3.370 -0.173 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.405 2.071 -1.281 1.00 0.00 H new ATOM 1090 N GLY A 74 -5.761 -0.329 -0.494 1.00 0.00 N ATOM 1091 CA GLY A 74 -6.535 -0.370 0.733 1.00 0.00 C ATOM 1092 C GLY A 74 -7.516 -1.526 0.760 1.00 0.00 C ATOM 1093 O GLY A 74 -8.055 -1.868 1.813 1.00 0.00 O ATOM 0 H GLY A 74 -5.279 -1.198 -0.726 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.858 -0.452 1.584 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.079 0.567 0.847 1.00 0.00 H new ATOM 1097 N LYS A 75 -7.750 -2.129 -0.400 1.00 0.00 N ATOM 1098 CA LYS A 75 -8.673 -3.253 -0.506 1.00 0.00 C ATOM 1099 C LYS A 75 -8.001 -4.552 -0.072 1.00 0.00 C ATOM 1100 O LYS A 75 -6.776 -4.677 -0.079 1.00 0.00 O ATOM 1101 CB LYS A 75 -9.185 -3.386 -1.942 1.00 0.00 C ATOM 1102 CG LYS A 75 -10.298 -2.411 -2.284 1.00 0.00 C ATOM 1103 CD LYS A 75 -11.615 -2.823 -1.647 1.00 0.00 C ATOM 1104 CE LYS A 75 -12.328 -3.880 -2.476 1.00 0.00 C ATOM 1105 NZ LYS A 75 -13.766 -3.998 -2.107 1.00 0.00 N ATOM 0 H LYS A 75 -7.313 -1.858 -1.281 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.516 -3.062 0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.354 -3.232 -2.631 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.544 -4.403 -2.098 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.025 -1.412 -1.944 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.417 -2.358 -3.366 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.431 -3.209 -0.644 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.257 -1.949 -1.539 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.244 -3.630 -3.534 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.837 -4.843 -2.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.216 -4.729 -2.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.847 -4.262 -1.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.241 -3.086 -2.264 1.00 0.00 H new ATOM 1119 N PRO A 76 -8.819 -5.543 0.312 1.00 0.00 N ATOM 1120 CA PRO A 76 -8.325 -6.851 0.753 1.00 0.00 C ATOM 1121 C PRO A 76 -7.723 -7.659 -0.390 1.00 0.00 C ATOM 1122 O PRO A 76 -8.319 -7.778 -1.462 1.00 0.00 O ATOM 1123 CB PRO A 76 -9.581 -7.540 1.293 1.00 0.00 C ATOM 1124 CG PRO A 76 -10.710 -6.889 0.572 1.00 0.00 C ATOM 1125 CD PRO A 76 -10.289 -5.463 0.344 1.00 0.00 C ATOM 0 HA PRO A 76 -7.524 -6.758 1.487 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.556 -8.613 1.103 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.672 -7.409 2.371 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.911 -7.392 -0.374 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.627 -6.936 1.159 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.691 -5.070 -0.590 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.639 -4.808 1.142 1.00 0.00 H new ATOM 1133 N LEU A 77 -6.539 -8.214 -0.157 1.00 0.00 N ATOM 1134 CA LEU A 77 -5.856 -9.013 -1.168 1.00 0.00 C ATOM 1135 C LEU A 77 -6.305 -10.470 -1.107 1.00 0.00 C ATOM 1136 O LEU A 77 -6.218 -11.129 -0.071 1.00 0.00 O ATOM 1137 CB LEU A 77 -4.340 -8.927 -0.976 1.00 0.00 C ATOM 1138 CG LEU A 77 -3.525 -10.088 -1.546 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -3.760 -10.223 -3.042 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -2.044 -9.895 -1.252 1.00 0.00 C ATOM 0 H LEU A 77 -6.032 -8.125 0.724 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.116 -8.613 -2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.988 -8.003 -1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.133 -8.853 0.092 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.854 -11.008 -1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.171 -11.055 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.818 -10.409 -3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.460 -9.302 -3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.479 -10.731 -1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.701 -8.965 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.890 -9.850 -0.174 1.00 0.00 H new ATOM 1152 N PRO A 78 -6.797 -10.985 -2.244 1.00 0.00 N ATOM 1153 CA PRO A 78 -7.268 -12.370 -2.346 1.00 0.00 C ATOM 1154 C PRO A 78 -6.126 -13.378 -2.267 1.00 0.00 C ATOM 1155 O PRO A 78 -5.000 -13.088 -2.671 1.00 0.00 O ATOM 1156 CB PRO A 78 -7.930 -12.418 -3.725 1.00 0.00 C ATOM 1157 CG PRO A 78 -7.259 -11.341 -4.505 1.00 0.00 C ATOM 1158 CD PRO A 78 -6.931 -10.257 -3.516 1.00 0.00 C ATOM 0 HA PRO A 78 -7.937 -12.635 -1.527 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -7.794 -13.392 -4.196 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.004 -12.246 -3.655 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.356 -11.714 -4.989 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -7.911 -10.966 -5.293 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.010 -9.737 -3.780 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.719 -9.505 -3.468 1.00 0.00 H new ATOM 1166 N GLY A 79 -6.424 -14.563 -1.745 1.00 0.00 N ATOM 1167 CA GLY A 79 -5.411 -15.596 -1.624 1.00 0.00 C ATOM 1168 C GLY A 79 -4.625 -15.488 -0.332 1.00 0.00 C ATOM 1169 O GLY A 79 -4.481 -16.468 0.399 1.00 0.00 O ATOM 0 H GLY A 79 -7.348 -14.827 -1.404 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.887 -16.575 -1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.726 -15.530 -2.469 1.00 0.00 H new ATOM 1173 N ALA A 80 -4.114 -14.294 -0.051 1.00 0.00 N ATOM 1174 CA ALA A 80 -3.338 -14.062 1.162 1.00 0.00 C ATOM 1175 C ALA A 80 -3.868 -14.899 2.321 1.00 0.00 C ATOM 1176 O ALA A 80 -5.055 -14.852 2.643 1.00 0.00 O ATOM 1177 CB ALA A 80 -3.355 -12.584 1.524 1.00 0.00 C ATOM 0 H ALA A 80 -4.223 -13.473 -0.646 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.309 -14.366 0.970 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.772 -12.425 2.431 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.922 -12.005 0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.383 -12.262 1.692 1.00 0.00 H new ATOM 1183 N THR A 81 -2.979 -15.666 2.946 1.00 0.00 N ATOM 1184 CA THR A 81 -3.358 -16.515 4.068 1.00 0.00 C ATOM 1185 C THR A 81 -2.657 -16.077 5.350 1.00 0.00 C ATOM 1186 O THR A 81 -1.434 -15.952 5.405 1.00 0.00 O ATOM 1187 CB THR A 81 -3.022 -17.993 3.793 1.00 0.00 C ATOM 1188 OG1 THR A 81 -3.695 -18.435 2.609 1.00 0.00 O ATOM 1189 CG2 THR A 81 -3.428 -18.868 4.969 1.00 0.00 C ATOM 0 H THR A 81 -1.992 -15.716 2.694 1.00 0.00 H new ATOM 0 HA THR A 81 -4.436 -16.412 4.192 1.00 0.00 H new ATOM 0 HB THR A 81 -1.944 -18.078 3.652 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.722 -17.705 1.956 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.181 -19.907 4.752 1.00 0.00 H new ATOM 0 HG22 THR A 81 -2.893 -18.547 5.863 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.501 -18.778 5.136 1.00 0.00 H new ATOM 1197 N PRO A 82 -3.449 -15.838 6.406 1.00 0.00 N ATOM 1198 CA PRO A 82 -4.907 -15.982 6.351 1.00 0.00 C ATOM 1199 C PRO A 82 -5.564 -14.908 5.491 1.00 0.00 C ATOM 1200 O PRO A 82 -6.457 -15.197 4.696 1.00 0.00 O ATOM 1201 CB PRO A 82 -5.333 -15.831 7.813 1.00 0.00 C ATOM 1202 CG PRO A 82 -4.252 -15.022 8.442 1.00 0.00 C ATOM 1203 CD PRO A 82 -2.982 -15.407 7.734 1.00 0.00 C ATOM 0 HA PRO A 82 -5.206 -16.928 5.901 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.299 -15.332 7.894 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.434 -16.802 8.298 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.450 -13.956 8.336 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.181 -15.228 9.510 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.291 -14.567 7.664 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.458 -16.208 8.255 1.00 0.00 H new ATOM 1211 N ALA A 83 -5.115 -13.668 5.656 1.00 0.00 N ATOM 1212 CA ALA A 83 -5.658 -12.551 4.893 1.00 0.00 C ATOM 1213 C ALA A 83 -4.841 -11.283 5.118 1.00 0.00 C ATOM 1214 O ALA A 83 -4.490 -10.951 6.251 1.00 0.00 O ATOM 1215 CB ALA A 83 -7.115 -12.316 5.266 1.00 0.00 C ATOM 0 H ALA A 83 -4.377 -13.412 6.311 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.601 -12.805 3.834 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.508 -11.479 4.689 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.696 -13.212 5.047 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.186 -12.088 6.330 1.00 0.00 H new ATOM 1221 N LYS A 84 -4.541 -10.578 4.033 1.00 0.00 N ATOM 1222 CA LYS A 84 -3.765 -9.346 4.111 1.00 0.00 C ATOM 1223 C LYS A 84 -4.442 -8.226 3.327 1.00 0.00 C ATOM 1224 O LYS A 84 -5.515 -8.417 2.755 1.00 0.00 O ATOM 1225 CB LYS A 84 -2.350 -9.575 3.575 1.00 0.00 C ATOM 1226 CG LYS A 84 -1.443 -10.310 4.547 1.00 0.00 C ATOM 1227 CD LYS A 84 0.014 -9.928 4.347 1.00 0.00 C ATOM 1228 CE LYS A 84 0.683 -10.809 3.303 1.00 0.00 C ATOM 1229 NZ LYS A 84 2.168 -10.736 3.385 1.00 0.00 N ATOM 0 H LYS A 84 -4.824 -10.839 3.088 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.706 -9.049 5.158 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.410 -10.143 2.647 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.902 -8.611 3.331 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.743 -10.082 5.570 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.560 -11.385 4.413 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.079 -8.884 4.039 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.547 -10.015 5.294 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.362 -11.842 3.440 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.359 -10.503 2.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.586 -11.437 2.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.484 -9.783 3.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.472 -10.937 4.359 1.00 0.00 H new ATOM 1243 N ARG A 85 -3.807 -7.059 3.303 1.00 0.00 N ATOM 1244 CA ARG A 85 -4.348 -5.909 2.588 1.00 0.00 C ATOM 1245 C ARG A 85 -3.459 -5.536 1.406 1.00 0.00 C ATOM 1246 O ARG A 85 -2.234 -5.644 1.478 1.00 0.00 O ATOM 1247 CB ARG A 85 -4.487 -4.714 3.533 1.00 0.00 C ATOM 1248 CG ARG A 85 -5.623 -3.775 3.163 1.00 0.00 C ATOM 1249 CD ARG A 85 -6.924 -4.180 3.840 1.00 0.00 C ATOM 1250 NE ARG A 85 -6.989 -3.714 5.222 1.00 0.00 N ATOM 1251 CZ ARG A 85 -7.197 -2.447 5.562 1.00 0.00 C ATOM 1252 NH1 ARG A 85 -7.358 -1.524 4.624 1.00 0.00 N ATOM 1253 NH2 ARG A 85 -7.243 -2.101 6.842 1.00 0.00 N ATOM 0 H ARG A 85 -2.917 -6.885 3.770 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.333 -6.180 2.208 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.645 -5.080 4.547 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.551 -4.155 3.538 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.363 -2.756 3.452 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.759 -3.775 2.082 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.766 -3.773 3.280 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.021 -5.265 3.818 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.868 -4.399 5.968 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.322 -1.786 3.639 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.518 -0.552 4.887 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -7.119 -2.808 7.566 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -7.403 -1.128 7.102 1.00 0.00 H new ATOM 1267 N PHE A 86 -4.083 -5.098 0.317 1.00 0.00 N ATOM 1268 CA PHE A 86 -3.349 -4.711 -0.881 1.00 0.00 C ATOM 1269 C PHE A 86 -2.394 -3.558 -0.585 1.00 0.00 C ATOM 1270 O PHE A 86 -2.803 -2.398 -0.520 1.00 0.00 O ATOM 1271 CB PHE A 86 -4.320 -4.310 -1.993 1.00 0.00 C ATOM 1272 CG PHE A 86 -4.710 -5.452 -2.889 1.00 0.00 C ATOM 1273 CD1 PHE A 86 -3.761 -6.091 -3.671 1.00 0.00 C ATOM 1274 CD2 PHE A 86 -6.024 -5.886 -2.948 1.00 0.00 C ATOM 1275 CE1 PHE A 86 -4.117 -7.141 -4.496 1.00 0.00 C ATOM 1276 CE2 PHE A 86 -6.386 -6.936 -3.771 1.00 0.00 C ATOM 1277 CZ PHE A 86 -5.430 -7.565 -4.545 1.00 0.00 C ATOM 0 H PHE A 86 -5.096 -5.002 0.240 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.764 -5.569 -1.211 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.219 -3.887 -1.544 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.865 -3.524 -2.596 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.732 -5.765 -3.635 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.775 -5.398 -2.344 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.368 -7.630 -5.102 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.414 -7.264 -3.809 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.709 -8.387 -5.187 1.00 0.00 H new ATOM 1287 N LYS A 87 -1.119 -3.884 -0.406 1.00 0.00 N ATOM 1288 CA LYS A 87 -0.104 -2.878 -0.117 1.00 0.00 C ATOM 1289 C LYS A 87 0.551 -2.381 -1.402 1.00 0.00 C ATOM 1290 O LYS A 87 1.444 -3.031 -1.947 1.00 0.00 O ATOM 1291 CB LYS A 87 0.961 -3.452 0.821 1.00 0.00 C ATOM 1292 CG LYS A 87 1.653 -2.401 1.670 1.00 0.00 C ATOM 1293 CD LYS A 87 0.900 -2.145 2.965 1.00 0.00 C ATOM 1294 CE LYS A 87 1.085 -0.714 3.444 1.00 0.00 C ATOM 1295 NZ LYS A 87 0.843 0.272 2.354 1.00 0.00 N ATOM 0 H LYS A 87 -0.763 -4.839 -0.456 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.593 -2.035 0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.497 -4.189 1.477 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.709 -3.979 0.229 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.668 -2.726 1.897 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.734 -1.472 1.106 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.161 -2.345 2.816 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.250 -2.835 3.733 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.402 -0.517 4.270 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.097 -0.588 3.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.432 1.139 2.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.743 0.500 1.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.185 -0.134 1.659 1.00 0.00 H new ATOM 1309 N LEU A 88 0.102 -1.226 -1.881 1.00 0.00 N ATOM 1310 CA LEU A 88 0.645 -0.641 -3.102 1.00 0.00 C ATOM 1311 C LEU A 88 1.066 0.807 -2.871 1.00 0.00 C ATOM 1312 O LEU A 88 0.441 1.529 -2.096 1.00 0.00 O ATOM 1313 CB LEU A 88 -0.388 -0.711 -4.228 1.00 0.00 C ATOM 1314 CG LEU A 88 -1.132 -2.038 -4.374 1.00 0.00 C ATOM 1315 CD1 LEU A 88 -2.134 -1.965 -5.516 1.00 0.00 C ATOM 1316 CD2 LEU A 88 -0.150 -3.179 -4.596 1.00 0.00 C ATOM 0 H LEU A 88 -0.637 -0.676 -1.442 1.00 0.00 H new ATOM 0 HA LEU A 88 1.526 -1.215 -3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.122 0.079 -4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.116 -0.494 -5.170 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.678 -2.230 -3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.654 -2.919 -5.605 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.857 -1.174 -5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.610 -1.749 -6.447 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.698 -4.116 -4.698 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.424 -2.994 -5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.528 -3.246 -3.745 1.00 0.00 H new ATOM 1328 N ASN A 89 2.129 1.225 -3.551 1.00 0.00 N ATOM 1329 CA ASN A 89 2.632 2.587 -3.421 1.00 0.00 C ATOM 1330 C ASN A 89 3.356 3.023 -4.692 1.00 0.00 C ATOM 1331 O ASN A 89 3.739 2.192 -5.517 1.00 0.00 O ATOM 1332 CB ASN A 89 3.576 2.693 -2.222 1.00 0.00 C ATOM 1333 CG ASN A 89 2.845 3.046 -0.941 1.00 0.00 C ATOM 1334 OD1 ASN A 89 2.458 2.166 -0.171 1.00 0.00 O ATOM 1335 ND2 ASN A 89 2.652 4.339 -0.707 1.00 0.00 N ATOM 0 H ASN A 89 2.658 0.640 -4.197 1.00 0.00 H new ATOM 0 HA ASN A 89 1.780 3.248 -3.263 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.099 1.746 -2.090 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.334 3.450 -2.425 1.00 0.00 H new ATOM 0 HD21 ASN A 89 2.166 4.637 0.139 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.990 5.034 -1.373 1.00 0.00 H new ATOM 1342 N TYR A 90 3.541 4.330 -4.842 1.00 0.00 N ATOM 1343 CA TYR A 90 4.218 4.876 -6.012 1.00 0.00 C ATOM 1344 C TYR A 90 5.637 4.327 -6.128 1.00 0.00 C ATOM 1345 O TYR A 90 6.369 4.258 -5.141 1.00 0.00 O ATOM 1346 CB TYR A 90 4.254 6.404 -5.939 1.00 0.00 C ATOM 1347 CG TYR A 90 2.953 7.060 -6.342 1.00 0.00 C ATOM 1348 CD1 TYR A 90 2.267 6.647 -7.478 1.00 0.00 C ATOM 1349 CD2 TYR A 90 2.412 8.094 -5.589 1.00 0.00 C ATOM 1350 CE1 TYR A 90 1.078 7.245 -7.850 1.00 0.00 C ATOM 1351 CE2 TYR A 90 1.223 8.697 -5.953 1.00 0.00 C ATOM 1352 CZ TYR A 90 0.560 8.269 -7.085 1.00 0.00 C ATOM 1353 OH TYR A 90 -0.623 8.867 -7.452 1.00 0.00 O ATOM 0 H TYR A 90 3.232 5.031 -4.168 1.00 0.00 H new ATOM 0 HA TYR A 90 3.659 4.574 -6.897 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.503 6.705 -4.921 1.00 0.00 H new ATOM 0 HB3 TYR A 90 5.052 6.772 -6.584 1.00 0.00 H new ATOM 0 HD1 TYR A 90 2.670 5.846 -8.080 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.929 8.433 -4.704 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.557 6.912 -8.735 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.815 9.499 -5.355 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.849 9.569 -6.806 1.00 0.00 H new ATOM 1363 N ALA A 91 6.017 3.939 -7.340 1.00 0.00 N ATOM 1364 CA ALA A 91 7.348 3.398 -7.587 1.00 0.00 C ATOM 1365 C ALA A 91 8.425 4.302 -6.996 1.00 0.00 C ATOM 1366 O ALA A 91 9.524 3.848 -6.673 1.00 0.00 O ATOM 1367 CB ALA A 91 7.574 3.211 -9.080 1.00 0.00 C ATOM 0 H ALA A 91 5.422 3.989 -8.167 1.00 0.00 H new ATOM 0 HA ALA A 91 7.415 2.427 -7.097 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.572 2.806 -9.249 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.830 2.520 -9.477 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.482 4.172 -9.585 1.00 0.00 H new ATOM 1373 N THR A 92 8.105 5.585 -6.858 1.00 0.00 N ATOM 1374 CA THR A 92 9.046 6.553 -6.308 1.00 0.00 C ATOM 1375 C THR A 92 8.571 7.075 -4.957 1.00 0.00 C ATOM 1376 O THR A 92 8.340 8.273 -4.790 1.00 0.00 O ATOM 1377 CB THR A 92 9.249 7.744 -7.263 1.00 0.00 C ATOM 1378 OG1 THR A 92 10.166 8.681 -6.689 1.00 0.00 O ATOM 1379 CG2 THR A 92 7.926 8.435 -7.556 1.00 0.00 C ATOM 0 H THR A 92 7.201 5.978 -7.120 1.00 0.00 H new ATOM 0 HA THR A 92 9.996 6.033 -6.180 1.00 0.00 H new ATOM 0 HB THR A 92 9.657 7.365 -8.200 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.789 9.041 -5.859 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.095 9.273 -8.232 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.240 7.726 -8.020 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.493 8.802 -6.625 1.00 0.00 H new ATOM 1387 N TYR A 93 8.427 6.170 -3.995 1.00 0.00 N ATOM 1388 CA TYR A 93 7.978 6.539 -2.658 1.00 0.00 C ATOM 1389 C TYR A 93 9.095 7.226 -1.878 1.00 0.00 C ATOM 1390 O TYR A 93 9.511 6.753 -0.821 1.00 0.00 O ATOM 1391 CB TYR A 93 7.497 5.302 -1.899 1.00 0.00 C ATOM 1392 CG TYR A 93 8.413 4.108 -2.044 1.00 0.00 C ATOM 1393 CD1 TYR A 93 9.722 4.261 -2.482 1.00 0.00 C ATOM 1394 CD2 TYR A 93 7.968 2.826 -1.744 1.00 0.00 C ATOM 1395 CE1 TYR A 93 10.562 3.173 -2.617 1.00 0.00 C ATOM 1396 CE2 TYR A 93 8.802 1.732 -1.875 1.00 0.00 C ATOM 1397 CZ TYR A 93 10.098 1.910 -2.312 1.00 0.00 C ATOM 1398 OH TYR A 93 10.932 0.824 -2.444 1.00 0.00 O ATOM 0 H TYR A 93 8.615 5.175 -4.117 1.00 0.00 H new ATOM 0 HA TYR A 93 7.149 7.239 -2.762 1.00 0.00 H new ATOM 0 HB2 TYR A 93 7.401 5.549 -0.842 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.503 5.032 -2.255 1.00 0.00 H new ATOM 0 HD1 TYR A 93 10.090 5.248 -2.721 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.953 2.682 -1.403 1.00 0.00 H new ATOM 0 HE1 TYR A 93 11.577 3.310 -2.960 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.441 0.743 -1.636 1.00 0.00 H new ATOM 0 HH TYR A 93 10.451 0.009 -2.188 1.00 0.00 H new ATOM 1408 N SER A 94 9.577 8.346 -2.409 1.00 0.00 N ATOM 1409 CA SER A 94 10.648 9.097 -1.766 1.00 0.00 C ATOM 1410 C SER A 94 10.085 10.270 -0.968 1.00 0.00 C ATOM 1411 O SER A 94 10.430 10.465 0.196 1.00 0.00 O ATOM 1412 CB SER A 94 11.641 9.607 -2.812 1.00 0.00 C ATOM 1413 OG SER A 94 12.663 8.654 -3.052 1.00 0.00 O ATOM 0 H SER A 94 9.242 8.753 -3.283 1.00 0.00 H new ATOM 0 HA SER A 94 11.166 8.428 -1.079 1.00 0.00 H new ATOM 0 HB2 SER A 94 11.115 9.823 -3.742 1.00 0.00 H new ATOM 0 HB3 SER A 94 12.084 10.543 -2.471 1.00 0.00 H new ATOM 0 HG SER A 94 13.284 9.003 -3.725 1.00 0.00 H new ATOM 1419 N GLY A 95 9.217 11.049 -1.606 1.00 0.00 N ATOM 1420 CA GLY A 95 8.620 12.193 -0.942 1.00 0.00 C ATOM 1421 C GLY A 95 9.483 13.435 -1.039 1.00 0.00 C ATOM 1422 O GLY A 95 10.326 13.700 -0.182 1.00 0.00 O ATOM 0 H GLY A 95 8.917 10.908 -2.571 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.644 12.397 -1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.451 11.953 0.108 1.00 0.00 H new ATOM 1426 N PRO A 96 9.279 14.221 -2.107 1.00 0.00 N ATOM 1427 CA PRO A 96 10.036 15.455 -2.339 1.00 0.00 C ATOM 1428 C PRO A 96 9.680 16.551 -1.341 1.00 0.00 C ATOM 1429 O PRO A 96 8.580 17.104 -1.378 1.00 0.00 O ATOM 1430 CB PRO A 96 9.622 15.865 -3.754 1.00 0.00 C ATOM 1431 CG PRO A 96 8.276 15.254 -3.947 1.00 0.00 C ATOM 1432 CD PRO A 96 8.291 13.967 -3.169 1.00 0.00 C ATOM 0 HA PRO A 96 11.109 15.302 -2.221 1.00 0.00 H new ATOM 0 HB2 PRO A 96 9.583 16.949 -3.856 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.332 15.500 -4.496 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.490 15.918 -3.587 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.079 15.070 -5.003 1.00 0.00 H new ATOM 0 HD2 PRO A 96 7.309 13.735 -2.757 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.582 13.123 -3.794 1.00 0.00 H new ATOM 1440 N SER A 97 10.616 16.861 -0.450 1.00 0.00 N ATOM 1441 CA SER A 97 10.399 17.889 0.561 1.00 0.00 C ATOM 1442 C SER A 97 10.921 19.240 0.083 1.00 0.00 C ATOM 1443 O SER A 97 11.816 19.309 -0.759 1.00 0.00 O ATOM 1444 CB SER A 97 11.085 17.499 1.872 1.00 0.00 C ATOM 1445 OG SER A 97 12.455 17.204 1.662 1.00 0.00 O ATOM 0 H SER A 97 11.532 16.415 -0.408 1.00 0.00 H new ATOM 0 HA SER A 97 9.326 17.974 0.732 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.991 18.312 2.591 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.585 16.632 2.304 1.00 0.00 H new ATOM 0 HG SER A 97 12.871 16.959 2.515 1.00 0.00 H new ATOM 1451 N SER A 98 10.355 20.313 0.626 1.00 0.00 N ATOM 1452 CA SER A 98 10.760 21.663 0.253 1.00 0.00 C ATOM 1453 C SER A 98 11.456 22.362 1.416 1.00 0.00 C ATOM 1454 O SER A 98 10.932 22.414 2.528 1.00 0.00 O ATOM 1455 CB SER A 98 9.544 22.478 -0.193 1.00 0.00 C ATOM 1456 OG SER A 98 9.021 21.986 -1.415 1.00 0.00 O ATOM 0 H SER A 98 9.614 20.273 1.326 1.00 0.00 H new ATOM 0 HA SER A 98 11.463 21.589 -0.577 1.00 0.00 H new ATOM 0 HB2 SER A 98 8.774 22.440 0.578 1.00 0.00 H new ATOM 0 HB3 SER A 98 9.826 23.524 -0.310 1.00 0.00 H new ATOM 0 HG SER A 98 8.244 22.522 -1.678 1.00 0.00 H new ATOM 1462 N GLY A 99 12.642 22.901 1.151 1.00 0.00 N ATOM 1463 CA GLY A 99 13.392 23.590 2.184 1.00 0.00 C ATOM 1464 C GLY A 99 12.583 24.680 2.858 1.00 0.00 C ATOM 1465 O GLY A 99 13.072 25.792 3.059 1.00 0.00 O ATOM 0 H GLY A 99 13.097 22.873 0.238 1.00 0.00 H new ATOM 0 HA2 GLY A 99 13.720 22.869 2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 99 14.290 24.026 1.747 1.00 0.00 H new TER 1469 GLY A 99