USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 584 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 30 LYS NZ :NH3+ 159:sc= -0.962 (180deg=-2.67!) USER MOD Set 1.2: A 48 TYR OH : rot -45:sc= -0.451 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 11 GLN : amide:sc= -3.56! C(o=-3.6!,f=-4.3!) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 13 CYS SG : rot 72:sc= 1.28 USER MOD Single : A 14 CYS SG : rot 64:sc= 0.128 USER MOD Single : A 16 THR OG1 : rot -40:sc= 0.833 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -148:sc= -0.199 (180deg=-2.35!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 26:sc= 0.105 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot -22:sc= 0.531 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 153:sc= -0.364 (180deg=-1.74) USER MOD Single : A 56 CYS SG : rot 25:sc= 0.564 USER MOD Single : A 58 LYS NZ :NH3+ -163:sc= -0.201 (180deg=-0.957) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0115 USER MOD Single : A 62 LYS NZ :NH3+ -159:sc= -0.051 (180deg=-0.576) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -2.82! C(o=-2.8!,f=-5.2!) USER MOD Single : A 66 LYS NZ :NH3+ 177:sc= 1.37 (180deg=1.32) USER MOD Single : A 67 MET CE :methyl -169:sc= 0 (180deg=-0.184) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0.365 K(o=0.36,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 57 N PRO A 6 -21.628 -1.406 13.100 1.00 0.00 N ATOM 58 CA PRO A 6 -22.309 -1.988 11.901 1.00 0.00 C ATOM 59 C PRO A 6 -23.832 -2.008 12.056 1.00 0.00 C ATOM 60 O PRO A 6 -24.353 -2.189 13.154 1.00 0.00 O ATOM 61 CB PRO A 6 -21.762 -3.424 11.829 1.00 0.00 C ATOM 62 CG PRO A 6 -20.426 -3.363 12.492 1.00 0.00 C ATOM 63 CD PRO A 6 -20.533 -2.288 13.576 1.00 0.00 C ATOM 0 HA PRO A 6 -22.116 -1.402 11.002 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -22.424 -4.124 12.339 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -21.675 -3.762 10.796 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -20.163 -4.328 12.926 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -19.646 -3.114 11.773 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -20.765 -2.723 14.548 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -19.598 -1.739 13.687 1.00 0.00 H new ATOM 71 N ILE A 7 -24.530 -1.822 10.940 1.00 0.00 N ATOM 72 CA ILE A 7 -25.987 -1.820 10.948 1.00 0.00 C ATOM 73 C ILE A 7 -26.503 -3.205 11.301 1.00 0.00 C ATOM 74 O ILE A 7 -27.665 -3.369 11.680 1.00 0.00 O ATOM 75 CB ILE A 7 -26.525 -1.423 9.569 1.00 0.00 C ATOM 76 CG1 ILE A 7 -26.289 0.070 9.333 1.00 0.00 C ATOM 77 CG2 ILE A 7 -28.036 -1.697 9.511 1.00 0.00 C ATOM 78 CD1 ILE A 7 -24.796 0.338 9.091 1.00 0.00 C ATOM 0 H ILE A 7 -24.111 -1.671 10.022 1.00 0.00 H new ATOM 0 HA ILE A 7 -26.328 -1.099 11.691 1.00 0.00 H new ATOM 0 HB ILE A 7 -26.009 -2.004 8.805 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -26.870 0.407 8.475 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -26.634 0.641 10.195 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -28.420 -1.415 8.530 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -28.220 -2.758 9.681 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -28.541 -1.113 10.280 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -24.640 1.404 8.924 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -24.223 0.019 9.962 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -24.464 -0.219 8.215 1.00 0.00 H new ATOM 90 N SER A 8 -25.644 -4.200 11.165 1.00 0.00 N ATOM 91 CA SER A 8 -26.037 -5.565 11.460 1.00 0.00 C ATOM 92 C SER A 8 -26.717 -5.616 12.815 1.00 0.00 C ATOM 93 O SER A 8 -27.603 -6.439 13.043 1.00 0.00 O ATOM 94 CB SER A 8 -24.808 -6.471 11.471 1.00 0.00 C ATOM 95 OG SER A 8 -25.213 -7.807 11.737 1.00 0.00 O ATOM 0 H SER A 8 -24.679 -4.090 10.855 1.00 0.00 H new ATOM 0 HA SER A 8 -26.729 -5.911 10.692 1.00 0.00 H new ATOM 0 HB2 SER A 8 -24.295 -6.419 10.511 1.00 0.00 H new ATOM 0 HB3 SER A 8 -24.101 -6.135 12.229 1.00 0.00 H new ATOM 0 HG SER A 8 -24.427 -8.392 11.743 1.00 0.00 H new ATOM 101 N GLN A 9 -26.313 -4.722 13.707 1.00 0.00 N ATOM 102 CA GLN A 9 -26.914 -4.678 15.032 1.00 0.00 C ATOM 103 C GLN A 9 -28.415 -4.411 14.932 1.00 0.00 C ATOM 104 O GLN A 9 -29.220 -5.132 15.518 1.00 0.00 O ATOM 105 CB GLN A 9 -26.263 -3.566 15.854 1.00 0.00 C ATOM 106 CG GLN A 9 -26.885 -3.535 17.257 1.00 0.00 C ATOM 107 CD GLN A 9 -26.123 -2.554 18.148 1.00 0.00 C ATOM 108 OE1 GLN A 9 -25.204 -1.880 17.685 1.00 0.00 O ATOM 109 NE2 GLN A 9 -26.452 -2.435 19.407 1.00 0.00 N ATOM 0 H GLN A 9 -25.584 -4.028 13.542 1.00 0.00 H new ATOM 0 HA GLN A 9 -26.755 -5.642 15.516 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -25.188 -3.733 15.925 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -26.404 -2.604 15.361 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -27.933 -3.241 17.192 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -26.860 -4.532 17.696 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -27.214 -2.994 19.790 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -25.947 -1.783 20.007 1.00 0.00 H new ATOM 118 N LEU A 10 -28.785 -3.378 14.184 1.00 0.00 N ATOM 119 CA LEU A 10 -30.193 -3.041 14.018 1.00 0.00 C ATOM 120 C LEU A 10 -30.902 -4.130 13.217 1.00 0.00 C ATOM 121 O LEU A 10 -31.976 -4.603 13.592 1.00 0.00 O ATOM 122 CB LEU A 10 -30.326 -1.678 13.314 1.00 0.00 C ATOM 123 CG LEU A 10 -31.606 -0.949 13.773 1.00 0.00 C ATOM 124 CD1 LEU A 10 -32.829 -1.844 13.534 1.00 0.00 C ATOM 125 CD2 LEU A 10 -31.503 -0.570 15.272 1.00 0.00 C ATOM 0 H LEU A 10 -28.138 -2.766 13.688 1.00 0.00 H new ATOM 0 HA LEU A 10 -30.663 -2.974 14.999 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -29.453 -1.063 13.533 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -30.351 -1.822 12.234 1.00 0.00 H new ATOM 0 HG LEU A 10 -31.718 -0.033 13.193 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -33.730 -1.324 13.860 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -32.908 -2.076 12.472 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -32.719 -2.769 14.100 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -32.413 -0.056 15.581 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -31.376 -1.474 15.868 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -30.647 0.087 15.423 1.00 0.00 H new ATOM 137 N GLN A 11 -30.291 -4.523 12.106 1.00 0.00 N ATOM 138 CA GLN A 11 -30.875 -5.556 11.263 1.00 0.00 C ATOM 139 C GLN A 11 -31.061 -6.846 12.058 1.00 0.00 C ATOM 140 O GLN A 11 -32.075 -7.522 11.921 1.00 0.00 O ATOM 141 CB GLN A 11 -29.970 -5.803 10.054 1.00 0.00 C ATOM 142 CG GLN A 11 -30.657 -6.750 9.068 1.00 0.00 C ATOM 143 CD GLN A 11 -30.544 -8.190 9.552 1.00 0.00 C ATOM 144 OE1 GLN A 11 -31.513 -8.943 9.488 1.00 0.00 O ATOM 145 NE2 GLN A 11 -29.409 -8.621 10.034 1.00 0.00 N ATOM 0 H GLN A 11 -29.403 -4.148 11.772 1.00 0.00 H new ATOM 0 HA GLN A 11 -31.853 -5.223 10.915 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -29.741 -4.858 9.562 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -29.022 -6.231 10.381 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -31.707 -6.476 8.962 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -30.201 -6.653 8.083 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -28.606 -7.994 10.086 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -29.326 -9.584 10.358 1.00 0.00 H new ATOM 154 N GLN A 12 -30.094 -7.171 12.900 1.00 0.00 N ATOM 155 CA GLN A 12 -30.188 -8.370 13.720 1.00 0.00 C ATOM 156 C GLN A 12 -31.357 -8.258 14.700 1.00 0.00 C ATOM 157 O GLN A 12 -32.064 -9.229 14.951 1.00 0.00 O ATOM 158 CB GLN A 12 -28.885 -8.589 14.480 1.00 0.00 C ATOM 159 CG GLN A 12 -28.965 -9.905 15.250 1.00 0.00 C ATOM 160 CD GLN A 12 -27.619 -10.208 15.894 1.00 0.00 C ATOM 161 OE1 GLN A 12 -26.678 -9.425 15.759 1.00 0.00 O ATOM 162 NE2 GLN A 12 -27.469 -11.305 16.581 1.00 0.00 N ATOM 0 H GLN A 12 -29.241 -6.628 13.034 1.00 0.00 H new ATOM 0 HA GLN A 12 -30.364 -9.225 13.067 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -28.045 -8.611 13.786 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -28.708 -7.762 15.168 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -29.739 -9.843 16.015 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -29.247 -10.714 14.577 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -28.252 -11.950 16.690 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -26.569 -11.519 17.010 1.00 0.00 H new ATOM 171 N CYS A 13 -31.547 -7.063 15.250 1.00 0.00 N ATOM 172 CA CYS A 13 -32.625 -6.820 16.203 1.00 0.00 C ATOM 173 C CYS A 13 -33.982 -7.096 15.562 1.00 0.00 C ATOM 174 O CYS A 13 -34.911 -7.536 16.227 1.00 0.00 O ATOM 175 CB CYS A 13 -32.574 -5.377 16.709 1.00 0.00 C ATOM 176 SG CYS A 13 -31.127 -5.167 17.776 1.00 0.00 S ATOM 0 H CYS A 13 -30.968 -6.247 15.052 1.00 0.00 H new ATOM 0 HA CYS A 13 -32.492 -7.497 17.047 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -32.523 -4.686 15.867 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -33.484 -5.141 17.260 1.00 0.00 H new ATOM 0 HG CYS A 13 -30.048 -5.178 17.051 1.00 0.00 H new ATOM 182 N CYS A 14 -34.095 -6.822 14.268 1.00 0.00 N ATOM 183 CA CYS A 14 -35.356 -7.032 13.561 1.00 0.00 C ATOM 184 C CYS A 14 -35.798 -8.492 13.677 1.00 0.00 C ATOM 185 O CYS A 14 -36.989 -8.778 13.766 1.00 0.00 O ATOM 186 CB CYS A 14 -35.206 -6.668 12.081 1.00 0.00 C ATOM 187 SG CYS A 14 -34.992 -4.879 11.912 1.00 0.00 S ATOM 0 H CYS A 14 -33.338 -6.457 13.690 1.00 0.00 H new ATOM 0 HA CYS A 14 -36.110 -6.390 14.017 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -34.349 -7.189 11.654 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -36.086 -6.993 11.526 1.00 0.00 H new ATOM 0 HG CYS A 14 -33.885 -4.518 12.489 1.00 0.00 H new ATOM 193 N LEU A 15 -34.843 -9.414 13.665 1.00 0.00 N ATOM 194 CA LEU A 15 -35.174 -10.834 13.765 1.00 0.00 C ATOM 195 C LEU A 15 -35.923 -11.120 15.067 1.00 0.00 C ATOM 196 O LEU A 15 -36.638 -12.116 15.174 1.00 0.00 O ATOM 197 CB LEU A 15 -33.891 -11.682 13.714 1.00 0.00 C ATOM 198 CG LEU A 15 -33.427 -11.841 12.264 1.00 0.00 C ATOM 199 CD1 LEU A 15 -33.156 -10.465 11.652 1.00 0.00 C ATOM 200 CD2 LEU A 15 -32.141 -12.668 12.239 1.00 0.00 C ATOM 0 H LEU A 15 -33.846 -9.211 13.588 1.00 0.00 H new ATOM 0 HA LEU A 15 -35.815 -11.096 12.923 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -33.108 -11.208 14.305 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -34.075 -12.662 14.155 1.00 0.00 H new ATOM 0 HG LEU A 15 -34.204 -12.343 11.687 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -32.826 -10.584 10.620 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -34.069 -9.871 11.675 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -32.379 -9.959 12.225 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -31.804 -12.786 11.209 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -31.370 -12.159 12.817 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -32.331 -13.650 12.673 1.00 0.00 H new ATOM 212 N THR A 16 -35.753 -10.247 16.056 1.00 0.00 N ATOM 213 CA THR A 16 -36.416 -10.424 17.346 1.00 0.00 C ATOM 214 C THR A 16 -37.858 -9.929 17.275 1.00 0.00 C ATOM 215 O THR A 16 -38.585 -9.960 18.268 1.00 0.00 O ATOM 216 CB THR A 16 -35.674 -9.650 18.436 1.00 0.00 C ATOM 217 OG1 THR A 16 -35.869 -8.256 18.240 1.00 0.00 O ATOM 218 CG2 THR A 16 -34.183 -9.970 18.355 1.00 0.00 C ATOM 0 H THR A 16 -35.166 -9.415 15.991 1.00 0.00 H new ATOM 0 HA THR A 16 -36.410 -11.487 17.588 1.00 0.00 H new ATOM 0 HB THR A 16 -36.057 -9.937 19.415 1.00 0.00 H new ATOM 0 HG1 THR A 16 -35.820 -8.050 17.283 1.00 0.00 H new ATOM 0 HG21 THR A 16 -33.650 -9.420 19.131 1.00 0.00 H new ATOM 0 HG22 THR A 16 -34.032 -11.040 18.500 1.00 0.00 H new ATOM 0 HG23 THR A 16 -33.801 -9.679 17.376 1.00 0.00 H new ATOM 226 N LEU A 17 -38.263 -9.466 16.095 1.00 0.00 N ATOM 227 CA LEU A 17 -39.618 -8.963 15.907 1.00 0.00 C ATOM 228 C LEU A 17 -40.610 -10.116 15.863 1.00 0.00 C ATOM 229 O LEU A 17 -41.471 -10.172 14.984 1.00 0.00 O ATOM 230 CB LEU A 17 -39.712 -8.176 14.588 1.00 0.00 C ATOM 231 CG LEU A 17 -40.985 -7.303 14.571 1.00 0.00 C ATOM 232 CD1 LEU A 17 -40.716 -5.953 15.247 1.00 0.00 C ATOM 233 CD2 LEU A 17 -41.431 -7.063 13.122 1.00 0.00 C ATOM 0 H LEU A 17 -37.676 -9.429 15.261 1.00 0.00 H new ATOM 0 HA LEU A 17 -39.858 -8.308 16.745 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -38.830 -7.546 14.469 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -39.726 -8.867 13.745 1.00 0.00 H new ATOM 0 HG LEU A 17 -41.771 -7.825 15.116 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -41.623 -5.349 15.227 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -40.413 -6.118 16.281 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -39.921 -5.431 14.714 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -42.330 -6.446 13.115 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -40.637 -6.553 12.577 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -41.643 -8.019 12.644 1.00 0.00 H new ATOM 245 N ARG A 18 -40.489 -11.036 16.810 1.00 0.00 N ATOM 246 CA ARG A 18 -41.390 -12.176 16.853 1.00 0.00 C ATOM 247 C ARG A 18 -42.787 -11.726 17.261 1.00 0.00 C ATOM 248 O ARG A 18 -42.989 -11.228 18.367 1.00 0.00 O ATOM 249 CB ARG A 18 -40.866 -13.207 17.857 1.00 0.00 C ATOM 250 CG ARG A 18 -41.704 -14.494 17.811 1.00 0.00 C ATOM 251 CD ARG A 18 -41.530 -15.200 16.460 1.00 0.00 C ATOM 252 NE ARG A 18 -41.898 -16.604 16.577 1.00 0.00 N ATOM 253 CZ ARG A 18 -41.888 -17.401 15.516 1.00 0.00 C ATOM 254 NH1 ARG A 18 -42.200 -18.662 15.641 1.00 0.00 N ATOM 255 NH2 ARG A 18 -41.566 -16.918 14.349 1.00 0.00 N ATOM 0 H ARG A 18 -39.786 -11.016 17.549 1.00 0.00 H new ATOM 0 HA ARG A 18 -41.440 -12.627 15.862 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -39.824 -13.439 17.636 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -40.892 -12.787 18.863 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -41.402 -15.161 18.618 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -42.756 -14.256 17.971 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -42.150 -14.715 15.705 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -40.496 -15.114 16.127 1.00 0.00 H new ATOM 0 HE ARG A 18 -42.167 -16.980 17.486 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -42.452 -19.037 16.556 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -42.192 -19.273 14.824 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -41.323 -15.932 14.255 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -41.557 -17.526 13.530 1.00 0.00 H new ATOM 269 N THR A 19 -43.753 -11.903 16.362 1.00 0.00 N ATOM 270 CA THR A 19 -45.136 -11.510 16.641 1.00 0.00 C ATOM 271 C THR A 19 -46.111 -12.546 16.089 1.00 0.00 C ATOM 272 O THR A 19 -45.970 -13.022 14.961 1.00 0.00 O ATOM 273 CB THR A 19 -45.426 -10.135 16.025 1.00 0.00 C ATOM 274 OG1 THR A 19 -44.503 -9.188 16.547 1.00 0.00 O ATOM 275 CG2 THR A 19 -46.851 -9.703 16.381 1.00 0.00 C ATOM 0 H THR A 19 -43.607 -12.313 15.440 1.00 0.00 H new ATOM 0 HA THR A 19 -45.268 -11.452 17.721 1.00 0.00 H new ATOM 0 HB THR A 19 -45.326 -10.191 14.941 1.00 0.00 H new ATOM 0 HG1 THR A 19 -44.682 -8.307 16.156 1.00 0.00 H new ATOM 0 HG21 THR A 19 -47.055 -8.726 15.943 1.00 0.00 H new ATOM 0 HG22 THR A 19 -47.561 -10.432 15.990 1.00 0.00 H new ATOM 0 HG23 THR A 19 -46.953 -9.643 17.465 1.00 0.00 H new ATOM 283 N GLU A 20 -47.108 -12.898 16.889 1.00 0.00 N ATOM 284 CA GLU A 20 -48.093 -13.877 16.457 1.00 0.00 C ATOM 285 C GLU A 20 -48.896 -13.328 15.282 1.00 0.00 C ATOM 286 O GLU A 20 -49.357 -12.185 15.313 1.00 0.00 O ATOM 287 CB GLU A 20 -49.034 -14.219 17.613 1.00 0.00 C ATOM 288 CG GLU A 20 -49.986 -15.336 17.185 1.00 0.00 C ATOM 289 CD GLU A 20 -50.885 -15.725 18.351 1.00 0.00 C ATOM 290 OE1 GLU A 20 -50.744 -15.128 19.406 1.00 0.00 O ATOM 291 OE2 GLU A 20 -51.702 -16.613 18.174 1.00 0.00 O ATOM 0 H GLU A 20 -47.255 -12.526 17.827 1.00 0.00 H new ATOM 0 HA GLU A 20 -47.574 -14.782 16.141 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -48.458 -14.532 18.484 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -49.602 -13.336 17.907 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -50.592 -15.006 16.341 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -49.416 -16.202 16.849 1.00 0.00 H new ATOM 298 N GLY A 21 -49.054 -14.145 14.244 1.00 0.00 N ATOM 299 CA GLY A 21 -49.797 -13.731 13.053 1.00 0.00 C ATOM 300 C GLY A 21 -48.862 -13.169 11.987 1.00 0.00 C ATOM 301 O GLY A 21 -49.313 -12.695 10.943 1.00 0.00 O ATOM 0 H GLY A 21 -48.680 -15.093 14.201 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -50.344 -14.582 12.648 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -50.536 -12.978 13.326 1.00 0.00 H new ATOM 305 N LYS A 22 -47.557 -13.222 12.247 1.00 0.00 N ATOM 306 CA LYS A 22 -46.578 -12.715 11.291 1.00 0.00 C ATOM 307 C LYS A 22 -46.325 -13.752 10.201 1.00 0.00 C ATOM 308 O LYS A 22 -46.567 -14.944 10.393 1.00 0.00 O ATOM 309 CB LYS A 22 -45.262 -12.377 12.013 1.00 0.00 C ATOM 310 CG LYS A 22 -44.434 -11.376 11.188 1.00 0.00 C ATOM 311 CD LYS A 22 -44.876 -9.938 11.499 1.00 0.00 C ATOM 312 CE LYS A 22 -44.164 -8.973 10.549 1.00 0.00 C ATOM 313 NZ LYS A 22 -42.702 -9.251 10.577 1.00 0.00 N ATOM 0 H LYS A 22 -47.157 -13.607 13.103 1.00 0.00 H new ATOM 0 HA LYS A 22 -46.971 -11.809 10.831 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -45.477 -11.957 12.995 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -44.685 -13.288 12.175 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -43.375 -11.496 11.415 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -44.558 -11.580 10.124 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -45.956 -9.845 11.387 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -44.640 -9.688 12.533 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -44.549 -9.090 9.536 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -44.356 -7.942 10.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -42.177 -8.367 10.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -42.442 -9.649 11.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -42.464 -9.932 9.828 1.00 0.00 H new ATOM 327 N GLU A 23 -45.855 -13.287 9.049 1.00 0.00 N ATOM 328 CA GLU A 23 -45.594 -14.178 7.929 1.00 0.00 C ATOM 329 C GLU A 23 -44.508 -15.196 8.286 1.00 0.00 C ATOM 330 O GLU A 23 -43.620 -14.903 9.087 1.00 0.00 O ATOM 331 CB GLU A 23 -45.146 -13.360 6.709 1.00 0.00 C ATOM 332 CG GLU A 23 -46.339 -12.602 6.120 1.00 0.00 C ATOM 333 CD GLU A 23 -46.790 -11.505 7.077 1.00 0.00 C ATOM 334 OE1 GLU A 23 -45.976 -11.073 7.875 1.00 0.00 O ATOM 335 OE2 GLU A 23 -47.942 -11.114 6.998 1.00 0.00 O ATOM 0 H GLU A 23 -45.649 -12.305 8.868 1.00 0.00 H new ATOM 0 HA GLU A 23 -46.513 -14.715 7.696 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -44.365 -12.657 6.999 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -44.716 -14.020 5.956 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -46.064 -12.166 5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -47.161 -13.292 5.933 1.00 0.00 H new ATOM 342 N PRO A 24 -44.564 -16.379 7.716 1.00 0.00 N ATOM 343 CA PRO A 24 -43.561 -17.452 7.990 1.00 0.00 C ATOM 344 C PRO A 24 -42.186 -17.099 7.437 1.00 0.00 C ATOM 345 O PRO A 24 -42.050 -16.183 6.627 1.00 0.00 O ATOM 346 CB PRO A 24 -44.146 -18.687 7.288 1.00 0.00 C ATOM 347 CG PRO A 24 -45.001 -18.130 6.197 1.00 0.00 C ATOM 348 CD PRO A 24 -45.583 -16.832 6.750 1.00 0.00 C ATOM 0 HA PRO A 24 -43.402 -17.607 9.057 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -43.359 -19.326 6.888 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -44.730 -19.296 7.978 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -44.415 -17.944 5.297 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -45.792 -18.829 5.924 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -45.743 -16.096 5.962 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -46.547 -16.998 7.232 1.00 0.00 H new ATOM 356 N ASP A 25 -41.174 -17.826 7.899 1.00 0.00 N ATOM 357 CA ASP A 25 -39.801 -17.592 7.470 1.00 0.00 C ATOM 358 C ASP A 25 -39.303 -16.264 8.025 1.00 0.00 C ATOM 359 O ASP A 25 -40.092 -15.364 8.312 1.00 0.00 O ATOM 360 CB ASP A 25 -39.709 -17.588 5.942 1.00 0.00 C ATOM 361 CG ASP A 25 -40.560 -18.719 5.374 1.00 0.00 C ATOM 362 OD1 ASP A 25 -40.402 -19.839 5.834 1.00 0.00 O ATOM 363 OD2 ASP A 25 -41.355 -18.451 4.490 1.00 0.00 O ATOM 0 H ASP A 25 -41.280 -18.584 8.573 1.00 0.00 H new ATOM 0 HA ASP A 25 -39.175 -18.398 7.853 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -40.051 -16.630 5.550 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -38.672 -17.708 5.630 1.00 0.00 H new ATOM 368 N ILE A 26 -37.988 -16.147 8.184 1.00 0.00 N ATOM 369 CA ILE A 26 -37.390 -14.922 8.715 1.00 0.00 C ATOM 370 C ILE A 26 -36.111 -14.571 7.949 1.00 0.00 C ATOM 371 O ILE A 26 -35.452 -15.453 7.394 1.00 0.00 O ATOM 372 CB ILE A 26 -37.079 -15.094 10.222 1.00 0.00 C ATOM 373 CG1 ILE A 26 -36.738 -16.562 10.530 1.00 0.00 C ATOM 374 CG2 ILE A 26 -38.287 -14.667 11.064 1.00 0.00 C ATOM 375 CD1 ILE A 26 -35.522 -17.014 9.710 1.00 0.00 C ATOM 0 H ILE A 26 -37.317 -16.880 7.955 1.00 0.00 H new ATOM 0 HA ILE A 26 -38.102 -14.106 8.590 1.00 0.00 H new ATOM 0 HB ILE A 26 -36.225 -14.465 10.471 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -36.530 -16.678 11.594 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -37.594 -17.196 10.301 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -38.056 -14.793 12.122 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -38.518 -13.621 10.865 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -39.147 -15.284 10.805 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -35.294 -18.055 9.940 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -35.744 -16.917 8.647 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -34.663 -16.391 9.960 1.00 0.00 H new ATOM 387 N PRO A 27 -35.748 -13.307 7.911 1.00 0.00 N ATOM 388 CA PRO A 27 -34.518 -12.853 7.196 1.00 0.00 C ATOM 389 C PRO A 27 -33.247 -13.337 7.895 1.00 0.00 C ATOM 390 O PRO A 27 -33.120 -13.237 9.115 1.00 0.00 O ATOM 391 CB PRO A 27 -34.627 -11.316 7.238 1.00 0.00 C ATOM 392 CG PRO A 27 -35.472 -11.024 8.436 1.00 0.00 C ATOM 393 CD PRO A 27 -36.463 -12.180 8.539 1.00 0.00 C ATOM 0 HA PRO A 27 -34.452 -13.249 6.183 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -33.644 -10.852 7.325 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -35.084 -10.927 6.328 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -34.862 -10.951 9.336 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -35.992 -10.072 8.325 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -36.720 -12.396 9.576 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -37.395 -11.957 8.019 1.00 0.00 H new ATOM 401 N LEU A 28 -32.307 -13.854 7.105 1.00 0.00 N ATOM 402 CA LEU A 28 -31.039 -14.348 7.643 1.00 0.00 C ATOM 403 C LEU A 28 -29.892 -13.956 6.719 1.00 0.00 C ATOM 404 O LEU A 28 -30.045 -13.936 5.498 1.00 0.00 O ATOM 405 CB LEU A 28 -31.075 -15.874 7.805 1.00 0.00 C ATOM 406 CG LEU A 28 -29.748 -16.381 8.399 1.00 0.00 C ATOM 407 CD1 LEU A 28 -29.519 -15.776 9.797 1.00 0.00 C ATOM 408 CD2 LEU A 28 -29.801 -17.910 8.498 1.00 0.00 C ATOM 0 H LEU A 28 -32.398 -13.942 6.093 1.00 0.00 H new ATOM 0 HA LEU A 28 -30.884 -13.897 8.623 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -31.903 -16.158 8.454 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -31.252 -16.345 6.838 1.00 0.00 H new ATOM 0 HG LEU A 28 -28.924 -16.078 7.753 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -28.577 -16.144 10.203 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -29.481 -14.689 9.721 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -30.337 -16.066 10.457 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -28.866 -18.280 8.918 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -30.629 -18.204 9.142 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -29.946 -18.334 7.504 1.00 0.00 H new ATOM 420 N TYR A 29 -28.741 -13.653 7.310 1.00 0.00 N ATOM 421 CA TYR A 29 -27.566 -13.271 6.532 1.00 0.00 C ATOM 422 C TYR A 29 -26.745 -14.505 6.173 1.00 0.00 C ATOM 423 O TYR A 29 -26.242 -15.208 7.046 1.00 0.00 O ATOM 424 CB TYR A 29 -26.704 -12.300 7.343 1.00 0.00 C ATOM 425 CG TYR A 29 -26.340 -12.931 8.669 1.00 0.00 C ATOM 426 CD1 TYR A 29 -25.138 -13.640 8.807 1.00 0.00 C ATOM 427 CD2 TYR A 29 -27.207 -12.809 9.760 1.00 0.00 C ATOM 428 CE1 TYR A 29 -24.806 -14.223 10.036 1.00 0.00 C ATOM 429 CE2 TYR A 29 -26.874 -13.394 10.988 1.00 0.00 C ATOM 430 CZ TYR A 29 -25.674 -14.099 11.127 1.00 0.00 C ATOM 431 OH TYR A 29 -25.348 -14.673 12.339 1.00 0.00 O ATOM 0 H TYR A 29 -28.596 -13.664 8.320 1.00 0.00 H new ATOM 0 HA TYR A 29 -27.896 -12.786 5.613 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -25.800 -12.049 6.788 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -27.245 -11.368 7.508 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -24.468 -13.736 7.965 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -28.133 -12.264 9.655 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -23.880 -14.768 10.142 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -27.545 -13.301 11.829 1.00 0.00 H new ATOM 0 HH TYR A 29 -26.059 -14.491 12.989 1.00 0.00 H new ATOM 441 N LYS A 30 -26.621 -14.765 4.874 1.00 0.00 N ATOM 442 CA LYS A 30 -25.861 -15.922 4.402 1.00 0.00 C ATOM 443 C LYS A 30 -25.278 -15.649 3.018 1.00 0.00 C ATOM 444 O LYS A 30 -25.750 -14.768 2.297 1.00 0.00 O ATOM 445 CB LYS A 30 -26.767 -17.158 4.343 1.00 0.00 C ATOM 446 CG LYS A 30 -28.058 -16.814 3.589 1.00 0.00 C ATOM 447 CD LYS A 30 -28.760 -18.095 3.114 1.00 0.00 C ATOM 448 CE LYS A 30 -29.291 -18.883 4.314 1.00 0.00 C ATOM 449 NZ LYS A 30 -30.229 -18.026 5.093 1.00 0.00 N ATOM 0 H LYS A 30 -27.033 -14.196 4.134 1.00 0.00 H new ATOM 0 HA LYS A 30 -25.044 -16.106 5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -26.250 -17.977 3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -27.002 -17.497 5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -28.725 -16.246 4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -27.828 -16.179 2.733 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -29.582 -17.841 2.444 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -28.063 -18.711 2.545 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -29.801 -19.784 3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -28.464 -19.204 4.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -30.849 -18.627 5.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -29.686 -17.391 5.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -30.807 -17.460 4.439 1.00 0.00 H new ATOM 463 N THR A 31 -24.257 -16.417 2.647 1.00 0.00 N ATOM 464 CA THR A 31 -23.625 -16.253 1.343 1.00 0.00 C ATOM 465 C THR A 31 -24.394 -17.039 0.284 1.00 0.00 C ATOM 466 O THR A 31 -24.735 -18.204 0.487 1.00 0.00 O ATOM 467 CB THR A 31 -22.179 -16.749 1.400 1.00 0.00 C ATOM 468 OG1 THR A 31 -22.165 -18.109 1.811 1.00 0.00 O ATOM 469 CG2 THR A 31 -21.385 -15.904 2.397 1.00 0.00 C ATOM 0 H THR A 31 -23.853 -17.153 3.226 1.00 0.00 H new ATOM 0 HA THR A 31 -23.634 -15.196 1.079 1.00 0.00 H new ATOM 0 HB THR A 31 -21.725 -16.661 0.413 1.00 0.00 H new ATOM 0 HG1 THR A 31 -23.014 -18.533 1.567 1.00 0.00 H new ATOM 0 HG21 THR A 31 -20.355 -16.259 2.436 1.00 0.00 H new ATOM 0 HG22 THR A 31 -21.397 -14.861 2.081 1.00 0.00 H new ATOM 0 HG23 THR A 31 -21.836 -15.989 3.386 1.00 0.00 H new ATOM 477 N LEU A 32 -24.667 -16.392 -0.848 1.00 0.00 N ATOM 478 CA LEU A 32 -25.399 -17.035 -1.938 1.00 0.00 C ATOM 479 C LEU A 32 -24.426 -17.659 -2.934 1.00 0.00 C ATOM 480 O LEU A 32 -24.673 -18.745 -3.462 1.00 0.00 O ATOM 481 CB LEU A 32 -26.281 -15.996 -2.651 1.00 0.00 C ATOM 482 CG LEU A 32 -27.597 -15.814 -1.885 1.00 0.00 C ATOM 483 CD1 LEU A 32 -27.304 -15.278 -0.481 1.00 0.00 C ATOM 484 CD2 LEU A 32 -28.489 -14.823 -2.635 1.00 0.00 C ATOM 0 H LEU A 32 -24.394 -15.427 -1.034 1.00 0.00 H new ATOM 0 HA LEU A 32 -26.029 -17.823 -1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -25.755 -15.044 -2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -26.486 -16.319 -3.672 1.00 0.00 H new ATOM 0 HG LEU A 32 -28.106 -16.774 -1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -28.240 -15.149 0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -26.669 -15.985 0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -26.794 -14.318 -0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -29.425 -14.693 -2.092 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -27.979 -13.863 -2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -28.699 -15.206 -3.633 1.00 0.00 H new ATOM 496 N GLN A 33 -23.327 -16.961 -3.195 1.00 0.00 N ATOM 497 CA GLN A 33 -22.331 -17.452 -4.137 1.00 0.00 C ATOM 498 C GLN A 33 -20.981 -16.774 -3.902 1.00 0.00 C ATOM 499 O GLN A 33 -20.914 -15.640 -3.414 1.00 0.00 O ATOM 500 CB GLN A 33 -22.798 -17.196 -5.572 1.00 0.00 C ATOM 501 CG GLN A 33 -21.784 -17.780 -6.556 1.00 0.00 C ATOM 502 CD GLN A 33 -22.339 -17.713 -7.975 1.00 0.00 C ATOM 503 OE1 GLN A 33 -23.290 -18.421 -8.306 1.00 0.00 O ATOM 504 NE2 GLN A 33 -21.807 -16.889 -8.836 1.00 0.00 N ATOM 0 H GLN A 33 -23.105 -16.060 -2.771 1.00 0.00 H new ATOM 0 HA GLN A 33 -22.211 -18.524 -3.982 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -23.777 -17.648 -5.732 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -22.910 -16.125 -5.743 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -20.847 -17.227 -6.496 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -21.562 -18.814 -6.292 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -21.019 -16.303 -8.561 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -22.179 -16.831 -9.784 1.00 0.00 H new ATOM 513 N THR A 34 -19.906 -17.479 -4.242 1.00 0.00 N ATOM 514 CA THR A 34 -18.556 -16.946 -4.065 1.00 0.00 C ATOM 515 C THR A 34 -18.049 -16.370 -5.382 1.00 0.00 C ATOM 516 O THR A 34 -18.396 -16.854 -6.459 1.00 0.00 O ATOM 517 CB THR A 34 -17.613 -18.058 -3.600 1.00 0.00 C ATOM 518 OG1 THR A 34 -17.463 -19.014 -4.639 1.00 0.00 O ATOM 519 CG2 THR A 34 -18.200 -18.740 -2.363 1.00 0.00 C ATOM 0 H THR A 34 -19.941 -18.417 -4.640 1.00 0.00 H new ATOM 0 HA THR A 34 -18.584 -16.158 -3.312 1.00 0.00 H new ATOM 0 HB THR A 34 -16.641 -17.631 -3.353 1.00 0.00 H new ATOM 0 HG1 THR A 34 -16.858 -19.726 -4.344 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.529 -19.532 -2.031 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.318 -18.007 -1.565 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.172 -19.168 -2.610 1.00 0.00 H new ATOM 527 N VAL A 35 -17.229 -15.326 -5.291 1.00 0.00 N ATOM 528 CA VAL A 35 -16.678 -14.678 -6.484 1.00 0.00 C ATOM 529 C VAL A 35 -15.196 -14.371 -6.277 1.00 0.00 C ATOM 530 O VAL A 35 -14.741 -14.177 -5.149 1.00 0.00 O ATOM 531 CB VAL A 35 -17.445 -13.381 -6.776 1.00 0.00 C ATOM 532 CG1 VAL A 35 -17.250 -12.979 -8.243 1.00 0.00 C ATOM 533 CG2 VAL A 35 -18.937 -13.598 -6.498 1.00 0.00 C ATOM 0 H VAL A 35 -16.931 -14.910 -4.409 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.784 -15.353 -7.333 1.00 0.00 H new ATOM 0 HB VAL A 35 -17.065 -12.586 -6.134 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -17.797 -12.058 -8.444 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -16.189 -12.821 -8.439 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -17.625 -13.772 -8.890 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -19.483 -12.678 -6.705 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -19.314 -14.396 -7.138 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -19.076 -13.875 -5.453 1.00 0.00 H new ATOM 543 N GLY A 36 -14.439 -14.344 -7.373 1.00 0.00 N ATOM 544 CA GLY A 36 -13.000 -14.075 -7.308 1.00 0.00 C ATOM 545 C GLY A 36 -12.585 -13.065 -8.380 1.00 0.00 C ATOM 546 O GLY A 36 -11.876 -13.413 -9.325 1.00 0.00 O ATOM 0 H GLY A 36 -14.795 -14.504 -8.315 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.742 -13.691 -6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -12.446 -15.004 -7.443 1.00 0.00 H new ATOM 550 N PRO A 37 -13.012 -11.834 -8.253 1.00 0.00 N ATOM 551 CA PRO A 37 -12.677 -10.761 -9.237 1.00 0.00 C ATOM 552 C PRO A 37 -11.230 -10.284 -9.093 1.00 0.00 C ATOM 553 O PRO A 37 -10.734 -9.520 -9.920 1.00 0.00 O ATOM 554 CB PRO A 37 -13.682 -9.648 -8.912 1.00 0.00 C ATOM 555 CG PRO A 37 -13.986 -9.820 -7.456 1.00 0.00 C ATOM 556 CD PRO A 37 -13.857 -11.321 -7.157 1.00 0.00 C ATOM 0 HA PRO A 37 -12.748 -11.102 -10.270 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.261 -8.663 -9.114 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -14.583 -9.740 -9.518 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -13.293 -9.242 -6.844 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -14.990 -9.463 -7.225 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -13.398 -11.496 -6.184 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -14.831 -11.810 -7.142 1.00 0.00 H new ATOM 564 N SER A 38 -10.568 -10.734 -8.029 1.00 0.00 N ATOM 565 CA SER A 38 -9.183 -10.346 -7.765 1.00 0.00 C ATOM 566 C SER A 38 -8.419 -11.495 -7.110 1.00 0.00 C ATOM 567 O SER A 38 -8.909 -12.623 -7.048 1.00 0.00 O ATOM 568 CB SER A 38 -9.151 -9.126 -6.848 1.00 0.00 C ATOM 569 OG SER A 38 -9.564 -9.509 -5.544 1.00 0.00 O ATOM 0 H SER A 38 -10.967 -11.367 -7.336 1.00 0.00 H new ATOM 0 HA SER A 38 -8.707 -10.102 -8.714 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.145 -8.707 -6.815 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.808 -8.347 -7.236 1.00 0.00 H new ATOM 0 HG SER A 38 -9.543 -8.728 -4.952 1.00 0.00 H new ATOM 575 N HIS A 39 -7.215 -11.202 -6.633 1.00 0.00 N ATOM 576 CA HIS A 39 -6.391 -12.224 -5.995 1.00 0.00 C ATOM 577 C HIS A 39 -7.102 -12.802 -4.776 1.00 0.00 C ATOM 578 O HIS A 39 -7.098 -14.015 -4.565 1.00 0.00 O ATOM 579 CB HIS A 39 -5.058 -11.611 -5.560 1.00 0.00 C ATOM 580 CG HIS A 39 -4.203 -11.346 -6.769 1.00 0.00 C ATOM 581 ND1 HIS A 39 -3.455 -12.342 -7.374 1.00 0.00 N ATOM 582 CD2 HIS A 39 -3.967 -10.204 -7.495 1.00 0.00 C ATOM 583 CE1 HIS A 39 -2.809 -11.788 -8.416 1.00 0.00 C ATOM 584 NE2 HIS A 39 -3.085 -10.486 -8.535 1.00 0.00 N ATOM 0 H HIS A 39 -6.790 -10.276 -6.674 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.214 -13.025 -6.713 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.234 -10.683 -5.016 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -4.541 -12.287 -4.878 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.399 -9.236 -7.290 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -2.148 -12.330 -9.076 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -2.727 -9.838 -9.237 1.00 0.00 H new ATOM 592 N ALA A 40 -7.717 -11.932 -3.983 1.00 0.00 N ATOM 593 CA ALA A 40 -8.439 -12.374 -2.792 1.00 0.00 C ATOM 594 C ALA A 40 -9.858 -12.801 -3.154 1.00 0.00 C ATOM 595 O ALA A 40 -10.468 -12.245 -4.066 1.00 0.00 O ATOM 596 CB ALA A 40 -8.490 -11.246 -1.760 1.00 0.00 C ATOM 0 H ALA A 40 -7.732 -10.924 -4.140 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.911 -13.228 -2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.030 -11.586 -0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.475 -10.964 -1.479 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.001 -10.384 -2.188 1.00 0.00 H new ATOM 602 N ARG A 41 -10.379 -13.785 -2.430 1.00 0.00 N ATOM 603 CA ARG A 41 -11.730 -14.271 -2.684 1.00 0.00 C ATOM 604 C ARG A 41 -12.760 -13.316 -2.093 1.00 0.00 C ATOM 605 O ARG A 41 -12.492 -12.629 -1.105 1.00 0.00 O ATOM 606 CB ARG A 41 -11.917 -15.663 -2.080 1.00 0.00 C ATOM 607 CG ARG A 41 -11.058 -16.671 -2.845 1.00 0.00 C ATOM 608 CD ARG A 41 -11.274 -18.068 -2.264 1.00 0.00 C ATOM 609 NE ARG A 41 -10.467 -19.044 -2.986 1.00 0.00 N ATOM 610 CZ ARG A 41 -10.542 -20.341 -2.705 1.00 0.00 C ATOM 611 NH1 ARG A 41 -9.808 -21.194 -3.363 1.00 0.00 N ATOM 612 NH2 ARG A 41 -11.354 -20.759 -1.772 1.00 0.00 N ATOM 0 H ARG A 41 -9.892 -14.258 -1.669 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.875 -14.327 -3.763 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.636 -15.655 -1.027 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.966 -15.954 -2.127 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.321 -16.661 -3.903 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.006 -16.395 -2.776 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.007 -18.075 -1.207 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.328 -18.338 -2.329 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.834 -18.726 -3.720 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.176 -20.866 -4.093 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.866 -22.189 -3.147 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.930 -20.091 -1.260 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.413 -21.754 -1.555 1.00 0.00 H new ATOM 626 N THR A 42 -13.943 -13.272 -2.708 1.00 0.00 N ATOM 627 CA THR A 42 -15.020 -12.395 -2.247 1.00 0.00 C ATOM 628 C THR A 42 -16.321 -13.178 -2.115 1.00 0.00 C ATOM 629 O THR A 42 -16.544 -14.163 -2.818 1.00 0.00 O ATOM 630 CB THR A 42 -15.215 -11.243 -3.234 1.00 0.00 C ATOM 631 OG1 THR A 42 -15.600 -11.764 -4.498 1.00 0.00 O ATOM 632 CG2 THR A 42 -13.904 -10.469 -3.379 1.00 0.00 C ATOM 0 H THR A 42 -14.179 -13.833 -3.526 1.00 0.00 H new ATOM 0 HA THR A 42 -14.746 -11.993 -1.271 1.00 0.00 H new ATOM 0 HB THR A 42 -15.992 -10.574 -2.864 1.00 0.00 H new ATOM 0 HG1 THR A 42 -15.326 -12.703 -4.562 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.042 -9.648 -4.082 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.608 -10.070 -2.409 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.126 -11.137 -3.749 1.00 0.00 H new ATOM 640 N TYR A 43 -17.178 -12.734 -1.197 1.00 0.00 N ATOM 641 CA TYR A 43 -18.463 -13.394 -0.958 1.00 0.00 C ATOM 642 C TYR A 43 -19.603 -12.401 -1.119 1.00 0.00 C ATOM 643 O TYR A 43 -19.465 -11.219 -0.793 1.00 0.00 O ATOM 644 CB TYR A 43 -18.486 -13.966 0.459 1.00 0.00 C ATOM 645 CG TYR A 43 -17.445 -15.051 0.578 1.00 0.00 C ATOM 646 CD1 TYR A 43 -16.112 -14.716 0.842 1.00 0.00 C ATOM 647 CD2 TYR A 43 -17.813 -16.393 0.428 1.00 0.00 C ATOM 648 CE1 TYR A 43 -15.147 -15.722 0.955 1.00 0.00 C ATOM 649 CE2 TYR A 43 -16.849 -17.400 0.540 1.00 0.00 C ATOM 650 CZ TYR A 43 -15.515 -17.064 0.804 1.00 0.00 C ATOM 651 OH TYR A 43 -14.563 -18.057 0.914 1.00 0.00 O ATOM 0 H TYR A 43 -17.007 -11.920 -0.606 1.00 0.00 H new ATOM 0 HA TYR A 43 -18.587 -14.198 -1.683 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -18.289 -13.177 1.185 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -19.474 -14.368 0.685 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -15.828 -13.680 0.958 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -18.842 -16.651 0.226 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -14.118 -15.463 1.159 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -17.133 -18.435 0.423 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.986 -18.931 0.784 1.00 0.00 H new ATOM 661 N THR A 44 -20.737 -12.885 -1.623 1.00 0.00 N ATOM 662 CA THR A 44 -21.910 -12.030 -1.824 1.00 0.00 C ATOM 663 C THR A 44 -23.018 -12.438 -0.860 1.00 0.00 C ATOM 664 O THR A 44 -23.221 -13.624 -0.604 1.00 0.00 O ATOM 665 CB THR A 44 -22.407 -12.160 -3.273 1.00 0.00 C ATOM 666 OG1 THR A 44 -23.317 -11.104 -3.551 1.00 0.00 O ATOM 667 CG2 THR A 44 -23.122 -13.506 -3.481 1.00 0.00 C ATOM 0 H THR A 44 -20.870 -13.858 -1.899 1.00 0.00 H new ATOM 0 HA THR A 44 -21.633 -10.993 -1.632 1.00 0.00 H new ATOM 0 HB THR A 44 -21.550 -12.108 -3.944 1.00 0.00 H new ATOM 0 HG1 THR A 44 -23.636 -11.181 -4.475 1.00 0.00 H new ATOM 0 HG21 THR A 44 -23.467 -13.579 -4.513 1.00 0.00 H new ATOM 0 HG22 THR A 44 -22.430 -14.322 -3.271 1.00 0.00 H new ATOM 0 HG23 THR A 44 -23.977 -13.572 -2.808 1.00 0.00 H new ATOM 675 N VAL A 45 -23.732 -11.451 -0.324 1.00 0.00 N ATOM 676 CA VAL A 45 -24.820 -11.718 0.615 1.00 0.00 C ATOM 677 C VAL A 45 -26.071 -10.960 0.201 1.00 0.00 C ATOM 678 O VAL A 45 -25.992 -9.911 -0.439 1.00 0.00 O ATOM 679 CB VAL A 45 -24.404 -11.294 2.025 1.00 0.00 C ATOM 680 CG1 VAL A 45 -23.199 -12.123 2.472 1.00 0.00 C ATOM 681 CG2 VAL A 45 -24.026 -9.812 2.018 1.00 0.00 C ATOM 0 H VAL A 45 -23.578 -10.462 -0.522 1.00 0.00 H new ATOM 0 HA VAL A 45 -25.035 -12.786 0.607 1.00 0.00 H new ATOM 0 HB VAL A 45 -25.233 -11.457 2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -22.902 -11.821 3.476 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -23.465 -13.180 2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -22.369 -11.959 1.784 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -23.729 -9.507 3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -23.196 -9.651 1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -24.883 -9.219 1.698 1.00 0.00 H new ATOM 691 N ALA A 46 -27.231 -11.499 0.568 1.00 0.00 N ATOM 692 CA ALA A 46 -28.504 -10.869 0.230 1.00 0.00 C ATOM 693 C ALA A 46 -29.537 -11.130 1.313 1.00 0.00 C ATOM 694 O ALA A 46 -29.775 -12.274 1.700 1.00 0.00 O ATOM 695 CB ALA A 46 -29.013 -11.410 -1.108 1.00 0.00 C ATOM 0 H ALA A 46 -27.316 -12.367 1.097 1.00 0.00 H new ATOM 0 HA ALA A 46 -28.346 -9.793 0.151 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -29.963 -10.936 -1.354 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -28.285 -11.192 -1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -29.154 -12.488 -1.035 1.00 0.00 H new ATOM 701 N VAL A 47 -30.162 -10.057 1.793 1.00 0.00 N ATOM 702 CA VAL A 47 -31.186 -10.168 2.827 1.00 0.00 C ATOM 703 C VAL A 47 -32.547 -10.401 2.180 1.00 0.00 C ATOM 704 O VAL A 47 -32.959 -9.652 1.293 1.00 0.00 O ATOM 705 CB VAL A 47 -31.220 -8.896 3.674 1.00 0.00 C ATOM 706 CG1 VAL A 47 -32.339 -9.008 4.710 1.00 0.00 C ATOM 707 CG2 VAL A 47 -29.877 -8.725 4.390 1.00 0.00 C ATOM 0 H VAL A 47 -29.977 -9.103 1.483 1.00 0.00 H new ATOM 0 HA VAL A 47 -30.948 -11.012 3.474 1.00 0.00 H new ATOM 0 HB VAL A 47 -31.402 -8.034 3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -32.366 -8.102 5.316 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -33.295 -9.133 4.201 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -32.155 -9.869 5.353 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -29.900 -7.818 4.994 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -29.696 -9.586 5.034 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -29.078 -8.649 3.652 1.00 0.00 H new ATOM 717 N TYR A 48 -33.242 -11.447 2.632 1.00 0.00 N ATOM 718 CA TYR A 48 -34.559 -11.791 2.096 1.00 0.00 C ATOM 719 C TYR A 48 -35.604 -11.713 3.191 1.00 0.00 C ATOM 720 O TYR A 48 -35.587 -12.488 4.145 1.00 0.00 O ATOM 721 CB TYR A 48 -34.520 -13.207 1.512 1.00 0.00 C ATOM 722 CG TYR A 48 -34.166 -14.196 2.600 1.00 0.00 C ATOM 723 CD1 TYR A 48 -35.175 -14.901 3.267 1.00 0.00 C ATOM 724 CD2 TYR A 48 -32.824 -14.404 2.944 1.00 0.00 C ATOM 725 CE1 TYR A 48 -34.843 -15.813 4.277 1.00 0.00 C ATOM 726 CE2 TYR A 48 -32.492 -15.315 3.954 1.00 0.00 C ATOM 727 CZ TYR A 48 -33.502 -16.020 4.619 1.00 0.00 C ATOM 728 OH TYR A 48 -33.172 -16.919 5.615 1.00 0.00 O ATOM 0 H TYR A 48 -32.913 -12.071 3.369 1.00 0.00 H new ATOM 0 HA TYR A 48 -34.821 -11.083 1.310 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -35.488 -13.459 1.079 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -33.787 -13.259 0.707 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -36.210 -14.742 3.003 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -32.045 -13.861 2.430 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -35.622 -16.356 4.792 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -31.457 -15.474 4.220 1.00 0.00 H new ATOM 0 HH TYR A 48 -33.762 -16.784 6.386 1.00 0.00 H new ATOM 738 N PHE A 49 -36.516 -10.757 3.054 1.00 0.00 N ATOM 739 CA PHE A 49 -37.574 -10.566 4.037 1.00 0.00 C ATOM 740 C PHE A 49 -38.879 -11.153 3.516 1.00 0.00 C ATOM 741 O PHE A 49 -39.258 -10.919 2.372 1.00 0.00 O ATOM 742 CB PHE A 49 -37.730 -9.063 4.329 1.00 0.00 C ATOM 743 CG PHE A 49 -38.150 -8.866 5.773 1.00 0.00 C ATOM 744 CD1 PHE A 49 -37.281 -8.235 6.674 1.00 0.00 C ATOM 745 CD2 PHE A 49 -39.391 -9.342 6.218 1.00 0.00 C ATOM 746 CE1 PHE A 49 -37.649 -8.081 8.014 1.00 0.00 C ATOM 747 CE2 PHE A 49 -39.760 -9.184 7.559 1.00 0.00 C ATOM 748 CZ PHE A 49 -38.889 -8.555 8.456 1.00 0.00 C ATOM 0 H PHE A 49 -36.543 -10.103 2.272 1.00 0.00 H new ATOM 0 HA PHE A 49 -37.314 -11.081 4.962 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -36.789 -8.546 4.140 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -38.473 -8.628 3.661 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -36.325 -7.867 6.332 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -40.062 -9.830 5.527 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -36.977 -7.597 8.707 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -40.717 -9.548 7.902 1.00 0.00 H new ATOM 0 HZ PHE A 49 -39.174 -8.435 9.491 1.00 0.00 H new ATOM 758 N LYS A 50 -39.564 -11.914 4.355 1.00 0.00 N ATOM 759 CA LYS A 50 -40.828 -12.526 3.957 1.00 0.00 C ATOM 760 C LYS A 50 -40.747 -13.077 2.531 1.00 0.00 C ATOM 761 O LYS A 50 -41.763 -13.168 1.839 1.00 0.00 O ATOM 762 CB LYS A 50 -41.986 -11.507 4.062 1.00 0.00 C ATOM 763 CG LYS A 50 -41.809 -10.343 3.062 1.00 0.00 C ATOM 764 CD LYS A 50 -43.088 -9.492 2.993 1.00 0.00 C ATOM 765 CE LYS A 50 -43.141 -8.516 4.174 1.00 0.00 C ATOM 766 NZ LYS A 50 -42.019 -7.547 4.052 1.00 0.00 N ATOM 0 H LYS A 50 -39.271 -12.123 5.309 1.00 0.00 H new ATOM 0 HA LYS A 50 -41.024 -13.354 4.638 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -42.934 -12.011 3.871 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -42.033 -11.112 5.077 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -40.967 -9.721 3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -41.574 -10.738 2.073 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -43.115 -8.939 2.054 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -43.965 -10.139 3.007 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -44.095 -7.988 4.184 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -43.068 -9.060 5.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -42.277 -6.656 4.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -41.168 -7.943 4.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -41.827 -7.364 3.047 1.00 0.00 H new ATOM 780 N GLY A 51 -39.542 -13.445 2.093 1.00 0.00 N ATOM 781 CA GLY A 51 -39.369 -13.980 0.744 1.00 0.00 C ATOM 782 C GLY A 51 -39.191 -12.860 -0.281 1.00 0.00 C ATOM 783 O GLY A 51 -39.503 -13.035 -1.459 1.00 0.00 O ATOM 0 H GLY A 51 -38.685 -13.384 2.643 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -38.501 -14.638 0.721 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -40.235 -14.585 0.477 1.00 0.00 H new ATOM 787 N GLU A 52 -38.699 -11.702 0.170 1.00 0.00 N ATOM 788 CA GLU A 52 -38.496 -10.559 -0.729 1.00 0.00 C ATOM 789 C GLU A 52 -37.146 -9.895 -0.444 1.00 0.00 C ATOM 790 O GLU A 52 -36.898 -9.412 0.663 1.00 0.00 O ATOM 791 CB GLU A 52 -39.637 -9.534 -0.533 1.00 0.00 C ATOM 792 CG GLU A 52 -39.909 -8.789 -1.848 1.00 0.00 C ATOM 793 CD GLU A 52 -38.656 -8.048 -2.299 1.00 0.00 C ATOM 794 OE1 GLU A 52 -37.997 -7.467 -1.453 1.00 0.00 O ATOM 795 OE2 GLU A 52 -38.370 -8.078 -3.485 1.00 0.00 O ATOM 0 H GLU A 52 -38.436 -11.531 1.141 1.00 0.00 H new ATOM 0 HA GLU A 52 -38.502 -10.913 -1.760 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -40.541 -10.044 -0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -39.367 -8.823 0.248 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -40.220 -9.495 -2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -40.729 -8.084 -1.713 1.00 0.00 H new ATOM 802 N ARG A 53 -36.282 -9.874 -1.455 1.00 0.00 N ATOM 803 CA ARG A 53 -34.970 -9.273 -1.317 1.00 0.00 C ATOM 804 C ARG A 53 -35.087 -7.771 -1.218 1.00 0.00 C ATOM 805 O ARG A 53 -35.727 -7.135 -2.055 1.00 0.00 O ATOM 806 CB ARG A 53 -34.081 -9.661 -2.506 1.00 0.00 C ATOM 807 CG ARG A 53 -32.636 -9.137 -2.300 1.00 0.00 C ATOM 808 CD ARG A 53 -32.415 -7.853 -3.108 1.00 0.00 C ATOM 809 NE ARG A 53 -32.543 -8.141 -4.531 1.00 0.00 N ATOM 810 CZ ARG A 53 -32.462 -7.177 -5.438 1.00 0.00 C ATOM 811 NH1 ARG A 53 -32.579 -7.468 -6.704 1.00 0.00 N ATOM 812 NH2 ARG A 53 -32.266 -5.944 -5.062 1.00 0.00 N ATOM 0 H ARG A 53 -36.472 -10.268 -2.377 1.00 0.00 H new ATOM 0 HA ARG A 53 -34.511 -9.646 -0.401 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -34.068 -10.745 -2.619 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -34.495 -9.250 -3.426 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -32.459 -8.944 -1.242 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -31.919 -9.897 -2.609 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -33.142 -7.096 -2.813 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -31.427 -7.444 -2.897 1.00 0.00 H new ATOM 0 HE ARG A 53 -32.698 -9.102 -4.835 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -32.732 -8.434 -6.993 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -32.517 -6.729 -7.405 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -32.175 -5.721 -4.071 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -32.204 -5.202 -5.759 1.00 0.00 H new ATOM 826 N ILE A 54 -34.463 -7.199 -0.193 1.00 0.00 N ATOM 827 CA ILE A 54 -34.503 -5.752 0.001 1.00 0.00 C ATOM 828 C ILE A 54 -33.105 -5.201 0.268 1.00 0.00 C ATOM 829 O ILE A 54 -32.950 -4.025 0.586 1.00 0.00 O ATOM 830 CB ILE A 54 -35.427 -5.405 1.166 1.00 0.00 C ATOM 831 CG1 ILE A 54 -35.031 -6.224 2.395 1.00 0.00 C ATOM 832 CG2 ILE A 54 -36.877 -5.716 0.784 1.00 0.00 C ATOM 833 CD1 ILE A 54 -35.777 -5.702 3.624 1.00 0.00 C ATOM 0 H ILE A 54 -33.928 -7.709 0.510 1.00 0.00 H new ATOM 0 HA ILE A 54 -34.886 -5.296 -0.912 1.00 0.00 H new ATOM 0 HB ILE A 54 -35.336 -4.343 1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -35.266 -7.276 2.234 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -33.955 -6.159 2.556 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -37.534 -5.467 1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -37.158 -5.126 -0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -36.972 -6.776 0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -35.493 -6.288 4.498 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -35.519 -4.656 3.789 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -36.851 -5.790 3.462 1.00 0.00 H new ATOM 845 N GLY A 55 -32.094 -6.051 0.135 1.00 0.00 N ATOM 846 CA GLY A 55 -30.714 -5.627 0.368 1.00 0.00 C ATOM 847 C GLY A 55 -29.734 -6.632 -0.226 1.00 0.00 C ATOM 848 O GLY A 55 -29.951 -7.842 -0.153 1.00 0.00 O ATOM 0 H GLY A 55 -32.199 -7.030 -0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -30.550 -4.645 -0.076 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -30.535 -5.526 1.438 1.00 0.00 H new ATOM 852 N CYS A 56 -28.652 -6.123 -0.805 1.00 0.00 N ATOM 853 CA CYS A 56 -27.639 -6.988 -1.398 1.00 0.00 C ATOM 854 C CYS A 56 -26.294 -6.279 -1.434 1.00 0.00 C ATOM 855 O CYS A 56 -26.210 -5.099 -1.772 1.00 0.00 O ATOM 856 CB CYS A 56 -28.057 -7.383 -2.818 1.00 0.00 C ATOM 857 SG CYS A 56 -28.148 -5.900 -3.851 1.00 0.00 S ATOM 0 H CYS A 56 -28.455 -5.125 -0.876 1.00 0.00 H new ATOM 0 HA CYS A 56 -27.546 -7.887 -0.788 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -27.340 -8.088 -3.237 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -29.024 -7.886 -2.798 1.00 0.00 H new ATOM 0 HG CYS A 56 -27.378 -4.978 -3.355 1.00 0.00 H new ATOM 863 N GLY A 57 -25.237 -7.008 -1.085 1.00 0.00 N ATOM 864 CA GLY A 57 -23.895 -6.439 -1.082 1.00 0.00 C ATOM 865 C GLY A 57 -22.844 -7.531 -1.219 1.00 0.00 C ATOM 866 O GLY A 57 -23.137 -8.714 -1.050 1.00 0.00 O ATOM 0 H GLY A 57 -25.284 -7.987 -0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -23.795 -5.727 -1.902 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -23.732 -5.885 -0.157 1.00 0.00 H new ATOM 870 N LYS A 58 -21.615 -7.129 -1.523 1.00 0.00 N ATOM 871 CA LYS A 58 -20.521 -8.087 -1.675 1.00 0.00 C ATOM 872 C LYS A 58 -19.195 -7.447 -1.281 1.00 0.00 C ATOM 873 O LYS A 58 -19.068 -6.223 -1.263 1.00 0.00 O ATOM 874 CB LYS A 58 -20.449 -8.570 -3.124 1.00 0.00 C ATOM 875 CG LYS A 58 -20.182 -7.380 -4.050 1.00 0.00 C ATOM 876 CD LYS A 58 -20.529 -7.746 -5.498 1.00 0.00 C ATOM 877 CE LYS A 58 -19.622 -8.880 -5.982 1.00 0.00 C ATOM 878 NZ LYS A 58 -18.199 -8.504 -5.754 1.00 0.00 N ATOM 0 H LYS A 58 -21.350 -6.155 -1.669 1.00 0.00 H new ATOM 0 HA LYS A 58 -20.710 -8.937 -1.020 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -19.658 -9.312 -3.232 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -21.383 -9.058 -3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -20.775 -6.523 -3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.135 -7.086 -3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -21.573 -8.051 -5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -20.410 -6.874 -6.141 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -19.857 -9.801 -5.449 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -19.794 -9.072 -7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.582 -9.116 -6.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -18.054 -7.512 -6.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.966 -8.621 -4.747 1.00 0.00 H new ATOM 892 N GLY A 59 -18.208 -8.281 -0.968 1.00 0.00 N ATOM 893 CA GLY A 59 -16.899 -7.775 -0.579 1.00 0.00 C ATOM 894 C GLY A 59 -15.979 -8.909 -0.129 1.00 0.00 C ATOM 895 O GLY A 59 -16.362 -10.079 -0.149 1.00 0.00 O ATOM 0 H GLY A 59 -18.289 -9.298 -0.976 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -16.446 -7.247 -1.418 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -17.011 -7.052 0.229 1.00 0.00 H new ATOM 899 N PRO A 60 -14.775 -8.583 0.273 1.00 0.00 N ATOM 900 CA PRO A 60 -13.781 -9.595 0.737 1.00 0.00 C ATOM 901 C PRO A 60 -14.173 -10.209 2.081 1.00 0.00 C ATOM 902 O PRO A 60 -13.583 -11.197 2.518 1.00 0.00 O ATOM 903 CB PRO A 60 -12.470 -8.800 0.830 1.00 0.00 C ATOM 904 CG PRO A 60 -12.893 -7.385 1.061 1.00 0.00 C ATOM 905 CD PRO A 60 -14.227 -7.213 0.328 1.00 0.00 C ATOM 0 HA PRO A 60 -13.707 -10.448 0.062 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.845 -9.163 1.646 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.886 -8.893 -0.085 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -13.005 -7.181 2.126 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -12.147 -6.688 0.680 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -14.893 -6.536 0.863 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -14.085 -6.798 -0.670 1.00 0.00 H new ATOM 913 N SER A 61 -15.174 -9.619 2.730 1.00 0.00 N ATOM 914 CA SER A 61 -15.639 -10.116 4.023 1.00 0.00 C ATOM 915 C SER A 61 -17.138 -9.888 4.176 1.00 0.00 C ATOM 916 O SER A 61 -17.673 -8.869 3.738 1.00 0.00 O ATOM 917 CB SER A 61 -14.897 -9.393 5.145 1.00 0.00 C ATOM 918 OG SER A 61 -13.504 -9.640 5.022 1.00 0.00 O ATOM 0 H SER A 61 -15.676 -8.801 2.385 1.00 0.00 H new ATOM 0 HA SER A 61 -15.440 -11.186 4.078 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.094 -8.322 5.096 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.255 -9.738 6.115 1.00 0.00 H new ATOM 0 HG SER A 61 -13.025 -9.176 5.740 1.00 0.00 H new ATOM 924 N LYS A 62 -17.810 -10.846 4.806 1.00 0.00 N ATOM 925 CA LYS A 62 -19.247 -10.744 5.019 1.00 0.00 C ATOM 926 C LYS A 62 -19.573 -9.563 5.922 1.00 0.00 C ATOM 927 O LYS A 62 -20.633 -8.951 5.805 1.00 0.00 O ATOM 928 CB LYS A 62 -19.765 -12.043 5.645 1.00 0.00 C ATOM 929 CG LYS A 62 -19.085 -12.270 6.999 1.00 0.00 C ATOM 930 CD LYS A 62 -19.573 -13.591 7.601 1.00 0.00 C ATOM 931 CE LYS A 62 -18.880 -13.823 8.945 1.00 0.00 C ATOM 932 NZ LYS A 62 -17.415 -13.984 8.724 1.00 0.00 N ATOM 0 H LYS A 62 -17.385 -11.696 5.176 1.00 0.00 H new ATOM 0 HA LYS A 62 -19.735 -10.585 4.058 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -20.846 -11.990 5.774 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -19.564 -12.884 4.981 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -18.002 -12.293 6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -19.311 -11.445 7.674 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -20.654 -13.564 7.737 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -19.357 -14.415 6.921 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -19.068 -12.983 9.614 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -19.286 -14.712 9.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.994 -14.481 9.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -17.253 -14.536 7.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.974 -13.047 8.625 1.00 0.00 H new ATOM 946 N LYS A 63 -18.654 -9.248 6.824 1.00 0.00 N ATOM 947 CA LYS A 63 -18.855 -8.140 7.744 1.00 0.00 C ATOM 948 C LYS A 63 -19.000 -6.826 6.977 1.00 0.00 C ATOM 949 O LYS A 63 -19.893 -6.025 7.259 1.00 0.00 O ATOM 950 CB LYS A 63 -17.681 -8.059 8.718 1.00 0.00 C ATOM 951 CG LYS A 63 -17.970 -6.990 9.775 1.00 0.00 C ATOM 952 CD LYS A 63 -16.823 -6.916 10.793 1.00 0.00 C ATOM 953 CE LYS A 63 -16.889 -8.102 11.767 1.00 0.00 C ATOM 954 NZ LYS A 63 -15.927 -7.876 12.885 1.00 0.00 N ATOM 0 H LYS A 63 -17.768 -9.741 6.937 1.00 0.00 H new ATOM 0 HA LYS A 63 -19.773 -8.311 8.306 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -17.524 -9.026 9.196 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.764 -7.816 8.181 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -18.100 -6.021 9.294 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -18.904 -7.220 10.287 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.866 -6.919 10.272 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.881 -5.979 11.347 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.900 -8.210 12.159 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.648 -9.029 11.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.969 -8.677 13.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.963 -7.793 12.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.177 -7.000 13.386 1.00 0.00 H new ATOM 968 N GLN A 64 -18.120 -6.616 6.002 1.00 0.00 N ATOM 969 CA GLN A 64 -18.163 -5.403 5.190 1.00 0.00 C ATOM 970 C GLN A 64 -19.454 -5.350 4.378 1.00 0.00 C ATOM 971 O GLN A 64 -20.095 -4.307 4.267 1.00 0.00 O ATOM 972 CB GLN A 64 -16.953 -5.368 4.250 1.00 0.00 C ATOM 973 CG GLN A 64 -16.929 -4.046 3.473 1.00 0.00 C ATOM 974 CD GLN A 64 -17.903 -4.107 2.299 1.00 0.00 C ATOM 975 OE1 GLN A 64 -18.162 -5.185 1.763 1.00 0.00 O ATOM 976 NE2 GLN A 64 -18.459 -3.012 1.862 1.00 0.00 N ATOM 0 H GLN A 64 -17.373 -7.265 5.756 1.00 0.00 H new ATOM 0 HA GLN A 64 -18.133 -4.537 5.851 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -16.033 -5.478 4.824 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -16.998 -6.207 3.555 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -17.197 -3.222 4.135 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -15.921 -3.848 3.109 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -18.245 -2.119 2.306 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -19.108 -3.048 1.076 1.00 0.00 H new ATOM 985 N ALA A 65 -19.832 -6.484 3.814 1.00 0.00 N ATOM 986 CA ALA A 65 -21.053 -6.554 3.026 1.00 0.00 C ATOM 987 C ALA A 65 -22.281 -6.421 3.929 1.00 0.00 C ATOM 988 O ALA A 65 -23.308 -5.892 3.516 1.00 0.00 O ATOM 989 CB ALA A 65 -21.107 -7.863 2.242 1.00 0.00 C ATOM 0 H ALA A 65 -19.318 -7.362 3.885 1.00 0.00 H new ATOM 0 HA ALA A 65 -21.054 -5.726 2.317 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -22.027 -7.900 1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -20.249 -7.922 1.572 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -21.084 -8.704 2.935 1.00 0.00 H new ATOM 995 N LYS A 66 -22.172 -6.928 5.157 1.00 0.00 N ATOM 996 CA LYS A 66 -23.285 -6.873 6.105 1.00 0.00 C ATOM 997 C LYS A 66 -23.714 -5.441 6.391 1.00 0.00 C ATOM 998 O LYS A 66 -24.865 -5.080 6.174 1.00 0.00 O ATOM 999 CB LYS A 66 -22.875 -7.563 7.426 1.00 0.00 C ATOM 1000 CG LYS A 66 -23.311 -9.028 7.418 1.00 0.00 C ATOM 1001 CD LYS A 66 -22.907 -9.686 8.736 1.00 0.00 C ATOM 1002 CE LYS A 66 -23.518 -11.083 8.814 1.00 0.00 C ATOM 1003 NZ LYS A 66 -23.138 -11.721 10.104 1.00 0.00 N ATOM 0 H LYS A 66 -21.331 -7.378 5.517 1.00 0.00 H new ATOM 0 HA LYS A 66 -24.131 -7.393 5.656 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -21.795 -7.499 7.557 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -23.330 -7.046 8.271 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -24.390 -9.097 7.281 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -22.849 -9.552 6.581 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -21.821 -9.748 8.806 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -23.247 -9.081 9.576 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -24.603 -11.022 8.732 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -23.169 -11.691 7.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -23.596 -12.652 10.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -22.105 -11.839 10.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -23.447 -11.119 10.893 1.00 0.00 H new ATOM 1017 N MET A 67 -22.795 -4.634 6.892 1.00 0.00 N ATOM 1018 CA MET A 67 -23.124 -3.254 7.210 1.00 0.00 C ATOM 1019 C MET A 67 -23.643 -2.534 5.974 1.00 0.00 C ATOM 1020 O MET A 67 -24.605 -1.773 6.054 1.00 0.00 O ATOM 1021 CB MET A 67 -21.890 -2.531 7.768 1.00 0.00 C ATOM 1022 CG MET A 67 -20.864 -2.312 6.651 1.00 0.00 C ATOM 1023 SD MET A 67 -21.259 -0.797 5.741 1.00 0.00 S ATOM 1024 CE MET A 67 -20.006 -0.976 4.444 1.00 0.00 C ATOM 0 H MET A 67 -21.830 -4.903 7.085 1.00 0.00 H new ATOM 0 HA MET A 67 -23.907 -3.248 7.968 1.00 0.00 H new ATOM 0 HB2 MET A 67 -22.183 -1.573 8.198 1.00 0.00 H new ATOM 0 HB3 MET A 67 -21.446 -3.119 8.571 1.00 0.00 H new ATOM 0 HG2 MET A 67 -19.862 -2.242 7.074 1.00 0.00 H new ATOM 0 HG3 MET A 67 -20.864 -3.165 5.972 1.00 0.00 H new ATOM 0 HE1 MET A 67 -19.937 -0.049 3.875 1.00 0.00 H new ATOM 0 HE2 MET A 67 -19.040 -1.195 4.899 1.00 0.00 H new ATOM 0 HE3 MET A 67 -20.287 -1.791 3.777 1.00 0.00 H new ATOM 1034 N GLY A 68 -23.014 -2.784 4.827 1.00 0.00 N ATOM 1035 CA GLY A 68 -23.453 -2.139 3.594 1.00 0.00 C ATOM 1036 C GLY A 68 -24.806 -2.674 3.129 1.00 0.00 C ATOM 1037 O GLY A 68 -25.742 -1.909 2.890 1.00 0.00 O ATOM 0 H GLY A 68 -22.218 -3.413 4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -23.521 -1.062 3.751 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -22.710 -2.301 2.814 1.00 0.00 H new ATOM 1041 N ALA A 69 -24.902 -3.990 2.996 1.00 0.00 N ATOM 1042 CA ALA A 69 -26.140 -4.623 2.554 1.00 0.00 C ATOM 1043 C ALA A 69 -27.271 -4.390 3.551 1.00 0.00 C ATOM 1044 O ALA A 69 -28.403 -4.098 3.165 1.00 0.00 O ATOM 1045 CB ALA A 69 -25.913 -6.127 2.389 1.00 0.00 C ATOM 0 H ALA A 69 -24.140 -4.640 3.187 1.00 0.00 H new ATOM 0 HA ALA A 69 -26.427 -4.178 1.601 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -26.838 -6.600 2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -25.133 -6.298 1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -25.607 -6.556 3.343 1.00 0.00 H new ATOM 1051 N ALA A 70 -26.951 -4.532 4.832 1.00 0.00 N ATOM 1052 CA ALA A 70 -27.941 -4.342 5.885 1.00 0.00 C ATOM 1053 C ALA A 70 -28.469 -2.914 5.869 1.00 0.00 C ATOM 1054 O ALA A 70 -29.669 -2.684 6.011 1.00 0.00 O ATOM 1055 CB ALA A 70 -27.316 -4.657 7.246 1.00 0.00 C ATOM 0 H ALA A 70 -26.019 -4.777 5.165 1.00 0.00 H new ATOM 0 HA ALA A 70 -28.776 -5.020 5.709 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -28.060 -4.514 8.030 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -26.971 -5.691 7.258 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -26.471 -3.991 7.421 1.00 0.00 H new ATOM 1061 N MET A 71 -27.563 -1.964 5.680 1.00 0.00 N ATOM 1062 CA MET A 71 -27.938 -0.561 5.629 1.00 0.00 C ATOM 1063 C MET A 71 -28.920 -0.313 4.491 1.00 0.00 C ATOM 1064 O MET A 71 -29.869 0.455 4.642 1.00 0.00 O ATOM 1065 CB MET A 71 -26.689 0.311 5.462 1.00 0.00 C ATOM 1066 CG MET A 71 -27.098 1.786 5.396 1.00 0.00 C ATOM 1067 SD MET A 71 -25.622 2.832 5.390 1.00 0.00 S ATOM 1068 CE MET A 71 -26.477 4.427 5.310 1.00 0.00 C ATOM 0 H MET A 71 -26.566 -2.141 5.560 1.00 0.00 H new ATOM 0 HA MET A 71 -28.427 -0.294 6.566 1.00 0.00 H new ATOM 0 HB2 MET A 71 -26.006 0.149 6.296 1.00 0.00 H new ATOM 0 HB3 MET A 71 -26.155 0.030 4.554 1.00 0.00 H new ATOM 0 HG2 MET A 71 -27.688 1.969 4.498 1.00 0.00 H new ATOM 0 HG3 MET A 71 -27.729 2.036 6.249 1.00 0.00 H new ATOM 0 HE1 MET A 71 -25.743 5.233 5.296 1.00 0.00 H new ATOM 0 HE2 MET A 71 -27.081 4.471 4.404 1.00 0.00 H new ATOM 0 HE3 MET A 71 -27.122 4.538 6.182 1.00 0.00 H new ATOM 1078 N ASP A 72 -28.695 -0.962 3.354 1.00 0.00 N ATOM 1079 CA ASP A 72 -29.581 -0.785 2.214 1.00 0.00 C ATOM 1080 C ASP A 72 -30.997 -1.224 2.565 1.00 0.00 C ATOM 1081 O ASP A 72 -31.956 -0.480 2.358 1.00 0.00 O ATOM 1082 CB ASP A 72 -29.070 -1.616 1.039 1.00 0.00 C ATOM 1083 CG ASP A 72 -29.963 -1.411 -0.179 1.00 0.00 C ATOM 1084 OD1 ASP A 72 -30.980 -0.750 -0.038 1.00 0.00 O ATOM 1085 OD2 ASP A 72 -29.619 -1.919 -1.232 1.00 0.00 O ATOM 0 H ASP A 72 -27.919 -1.605 3.200 1.00 0.00 H new ATOM 0 HA ASP A 72 -29.597 0.271 1.943 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -28.046 -1.330 0.800 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -29.051 -2.671 1.312 1.00 0.00 H new ATOM 1090 N ALA A 73 -31.128 -2.431 3.106 1.00 0.00 N ATOM 1091 CA ALA A 73 -32.440 -2.940 3.483 1.00 0.00 C ATOM 1092 C ALA A 73 -33.064 -2.091 4.581 1.00 0.00 C ATOM 1093 O ALA A 73 -34.248 -1.765 4.529 1.00 0.00 O ATOM 1094 CB ALA A 73 -32.323 -4.383 3.967 1.00 0.00 C ATOM 0 H ALA A 73 -30.352 -3.067 3.291 1.00 0.00 H new ATOM 0 HA ALA A 73 -33.081 -2.897 2.602 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -33.309 -4.754 4.246 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -31.915 -5.003 3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -31.661 -4.424 4.832 1.00 0.00 H new ATOM 1100 N LEU A 74 -32.262 -1.745 5.579 1.00 0.00 N ATOM 1101 CA LEU A 74 -32.759 -0.943 6.686 1.00 0.00 C ATOM 1102 C LEU A 74 -33.254 0.408 6.186 1.00 0.00 C ATOM 1103 O LEU A 74 -34.348 0.848 6.535 1.00 0.00 O ATOM 1104 CB LEU A 74 -31.645 -0.740 7.718 1.00 0.00 C ATOM 1105 CG LEU A 74 -32.148 0.118 8.891 1.00 0.00 C ATOM 1106 CD1 LEU A 74 -33.314 -0.590 9.602 1.00 0.00 C ATOM 1107 CD2 LEU A 74 -30.993 0.330 9.870 1.00 0.00 C ATOM 0 H LEU A 74 -31.277 -2.003 5.644 1.00 0.00 H new ATOM 0 HA LEU A 74 -33.593 -1.468 7.152 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -31.303 -1.707 8.087 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -30.789 -0.257 7.247 1.00 0.00 H new ATOM 0 HG LEU A 74 -32.503 1.079 8.520 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -33.663 0.026 10.431 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -34.130 -0.745 8.896 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -32.976 -1.554 9.983 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -31.334 0.937 10.709 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -30.646 -0.636 10.238 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -30.174 0.840 9.362 1.00 0.00 H new ATOM 1119 N GLU A 75 -32.434 1.064 5.373 1.00 0.00 N ATOM 1120 CA GLU A 75 -32.788 2.370 4.837 1.00 0.00 C ATOM 1121 C GLU A 75 -33.954 2.252 3.861 1.00 0.00 C ATOM 1122 O GLU A 75 -34.820 3.124 3.807 1.00 0.00 O ATOM 1123 CB GLU A 75 -31.578 3.006 4.142 1.00 0.00 C ATOM 1124 CG GLU A 75 -31.930 4.422 3.665 1.00 0.00 C ATOM 1125 CD GLU A 75 -32.269 5.312 4.860 1.00 0.00 C ATOM 1126 OE1 GLU A 75 -31.842 4.988 5.956 1.00 0.00 O ATOM 1127 OE2 GLU A 75 -32.963 6.296 4.661 1.00 0.00 O ATOM 0 H GLU A 75 -31.524 0.714 5.073 1.00 0.00 H new ATOM 0 HA GLU A 75 -33.094 3.010 5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -30.733 3.045 4.829 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -31.272 2.393 3.294 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -31.092 4.846 3.112 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -32.777 4.383 2.980 1.00 0.00 H new ATOM 1134 N LYS A 76 -33.959 1.180 3.079 1.00 0.00 N ATOM 1135 CA LYS A 76 -35.014 0.978 2.095 1.00 0.00 C ATOM 1136 C LYS A 76 -36.360 0.788 2.783 1.00 0.00 C ATOM 1137 O LYS A 76 -37.385 1.262 2.293 1.00 0.00 O ATOM 1138 CB LYS A 76 -34.689 -0.254 1.246 1.00 0.00 C ATOM 1139 CG LYS A 76 -35.754 -0.434 0.165 1.00 0.00 C ATOM 1140 CD LYS A 76 -35.384 -1.623 -0.724 1.00 0.00 C ATOM 1141 CE LYS A 76 -36.455 -1.803 -1.799 1.00 0.00 C ATOM 1142 NZ LYS A 76 -36.079 -2.934 -2.694 1.00 0.00 N ATOM 0 H LYS A 76 -33.253 0.445 3.106 1.00 0.00 H new ATOM 0 HA LYS A 76 -35.073 1.860 1.457 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -33.707 -0.142 0.787 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -34.646 -1.141 1.878 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -36.729 -0.599 0.624 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -35.834 0.472 -0.436 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -34.412 -1.456 -1.188 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -35.300 -2.529 -0.123 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -37.421 -1.999 -1.335 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -36.560 -0.886 -2.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -36.809 -3.055 -3.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -35.166 -2.729 -3.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -36.000 -3.808 -2.135 1.00 0.00 H new ATOM 1156 N TYR A 77 -36.353 0.115 3.925 1.00 0.00 N ATOM 1157 CA TYR A 77 -37.588 -0.100 4.666 1.00 0.00 C ATOM 1158 C TYR A 77 -37.295 -0.618 6.066 1.00 0.00 C ATOM 1159 O TYR A 77 -36.853 -1.752 6.238 1.00 0.00 O ATOM 1160 CB TYR A 77 -38.476 -1.097 3.925 1.00 0.00 C ATOM 1161 CG TYR A 77 -39.729 -1.353 4.731 1.00 0.00 C ATOM 1162 CD1 TYR A 77 -40.726 -0.373 4.798 1.00 0.00 C ATOM 1163 CD2 TYR A 77 -39.894 -2.567 5.410 1.00 0.00 C ATOM 1164 CE1 TYR A 77 -41.889 -0.606 5.542 1.00 0.00 C ATOM 1165 CE2 TYR A 77 -41.057 -2.800 6.154 1.00 0.00 C ATOM 1166 CZ TYR A 77 -42.054 -1.820 6.219 1.00 0.00 C ATOM 1167 OH TYR A 77 -43.202 -2.049 6.951 1.00 0.00 O ATOM 0 H TYR A 77 -35.519 -0.286 4.354 1.00 0.00 H new ATOM 0 HA TYR A 77 -38.107 0.855 4.749 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -38.737 -0.706 2.941 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -37.937 -2.031 3.764 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -40.598 0.564 4.275 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -39.124 -3.323 5.360 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -42.658 0.150 5.594 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -41.185 -3.736 6.678 1.00 0.00 H new ATOM 0 HH TYR A 77 -43.159 -2.940 7.357 1.00 0.00 H new ATOM 1177 N ASN A 78 -37.555 0.216 7.068 1.00 0.00 N ATOM 1178 CA ASN A 78 -37.327 -0.181 8.454 1.00 0.00 C ATOM 1179 C ASN A 78 -38.557 -0.879 9.024 1.00 0.00 C ATOM 1180 O ASN A 78 -39.655 -0.321 9.031 1.00 0.00 O ATOM 1181 CB ASN A 78 -36.998 1.044 9.306 1.00 0.00 C ATOM 1182 CG ASN A 78 -38.125 2.069 9.199 1.00 0.00 C ATOM 1183 OD1 ASN A 78 -38.665 2.287 8.116 1.00 0.00 O ATOM 1184 ND2 ASN A 78 -38.516 2.710 10.267 1.00 0.00 N ATOM 0 H ASN A 78 -37.920 1.161 6.949 1.00 0.00 H new ATOM 0 HA ASN A 78 -36.486 -0.874 8.474 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -36.861 0.748 10.346 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -36.059 1.487 8.974 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -39.271 3.393 10.204 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -38.067 2.528 11.164 1.00 0.00 H new ATOM 1191 N PHE A 79 -38.358 -2.094 9.517 1.00 0.00 N ATOM 1192 CA PHE A 79 -39.442 -2.864 10.115 1.00 0.00 C ATOM 1193 C PHE A 79 -39.797 -2.312 11.497 1.00 0.00 C ATOM 1194 O PHE A 79 -40.932 -1.900 11.728 1.00 0.00 O ATOM 1195 CB PHE A 79 -39.032 -4.354 10.223 1.00 0.00 C ATOM 1196 CG PHE A 79 -39.699 -5.160 9.128 1.00 0.00 C ATOM 1197 CD1 PHE A 79 -39.062 -5.339 7.897 1.00 0.00 C ATOM 1198 CD2 PHE A 79 -40.965 -5.716 9.353 1.00 0.00 C ATOM 1199 CE1 PHE A 79 -39.691 -6.076 6.888 1.00 0.00 C ATOM 1200 CE2 PHE A 79 -41.592 -6.454 8.344 1.00 0.00 C ATOM 1201 CZ PHE A 79 -40.956 -6.632 7.111 1.00 0.00 C ATOM 0 H PHE A 79 -37.455 -2.569 9.515 1.00 0.00 H new ATOM 0 HA PHE A 79 -40.322 -2.781 9.477 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -37.949 -4.447 10.145 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -39.316 -4.747 11.199 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -38.086 -4.909 7.725 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -41.456 -5.575 10.304 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -39.200 -6.216 5.936 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -42.567 -6.886 8.517 1.00 0.00 H new ATOM 0 HZ PHE A 79 -41.441 -7.199 6.330 1.00 0.00 H new