USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 706 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 52 SER OG : rot 180:sc= 0.071 USER MOD Set 1.2: A 72 ASN :FLIP amide:sc= -0.325 F(o=-5.2!,f=-0.25) USER MOD Set 2.1: A 50 THR OG1 : rot -77:sc= 0.476 USER MOD Set 2.2: A 54 ASN : amide:sc= -1.97! K(o=-1.5!,f=-2.3) USER MOD Set 3.1: A 15 SER OG : rot 150:sc= 0.996 USER MOD Set 3.2: A 75 LYS NZ :NH3+ 161:sc= 1.27 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS :FLIP no HD1:sc= -0.213 F(o=-0.77,f=-0.21) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 65:sc= 0.885 USER MOD Single : A 8 SER OG : rot 180:sc= 0.387 USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 1.7 (180deg=1.51) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= -0.606 USER MOD Single : A 19 ASN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -162:sc= -0.137 (180deg=-0.209) USER MOD Single : A 25 SER OG : rot 113:sc= 0.26 USER MOD Single : A 26 ASN : amide:sc= 0.884 K(o=0.88,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 1.03 (180deg=1.03) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -175:sc= 1.21 (180deg=1) USER MOD Single : A 38 SER OG : rot -82:sc= 1.12 USER MOD Single : A 39 ASN : amide:sc= 1.19 K(o=1.2,f=-0.045) USER MOD Single : A 42 SER OG : rot -80:sc= 0.509 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 170:sc=-0.00187 (180deg=-0.0864) USER MOD Single : A 57 CYS SG : rot -140:sc= -0.0325 USER MOD Single : A 58 LYS NZ :NH3+ -165:sc= 1.27 (180deg=1.08) USER MOD Single : A 59 ASN : amide:sc= 0.97 K(o=0.97,f=-12!) USER MOD Single : A 61 MET CE :methyl 179:sc= -1.31 (180deg=-1.31) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot -99:sc= 0.0651 USER MOD Single : A 69 CYS SG : rot 66:sc= 1.16 USER MOD Single : A 70 THR OG1 : rot -27:sc= 0.335 USER MOD Single : A 71 LYS NZ :NH3+ 168:sc=-0.00947 (180deg=-0.14) USER MOD Single : A 77 SER OG : rot 42:sc= 0.0617 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 81 HIS : no HD1:sc= -0.548 X(o=-0.55,f=-0.49) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.0807 X(o=-0.081,f=-0.12) USER MOD Single : A 85 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.911 -2.069 7.709 1.00 0.00 N ATOM 2 CA MET A 1 -23.561 -2.543 8.076 1.00 0.00 C ATOM 3 C MET A 1 -23.000 -3.415 6.958 1.00 0.00 C ATOM 4 O MET A 1 -23.154 -4.637 6.967 1.00 0.00 O ATOM 5 CB MET A 1 -23.611 -3.324 9.394 1.00 0.00 C ATOM 6 CG MET A 1 -22.250 -3.784 9.891 1.00 0.00 C ATOM 7 SD MET A 1 -22.349 -4.675 11.456 1.00 0.00 S ATOM 8 CE MET A 1 -20.617 -5.023 11.757 1.00 0.00 C ATOM 0 H1 MET A 1 -25.290 -1.475 8.474 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.857 -1.512 6.832 1.00 0.00 H new ATOM 0 H3 MET A 1 -25.538 -2.886 7.562 1.00 0.00 H new ATOM 0 HA MET A 1 -22.906 -1.683 8.214 1.00 0.00 H new ATOM 0 HB2 MET A 1 -24.073 -2.699 10.158 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.253 -4.195 9.264 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.791 -4.426 9.140 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.599 -2.918 10.011 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.514 -5.572 12.693 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.219 -5.623 10.938 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.064 -4.086 11.823 1.00 0.00 H new ATOM 20 N HIS A 2 -22.384 -2.776 5.976 1.00 0.00 N ATOM 21 CA HIS A 2 -21.845 -3.483 4.826 1.00 0.00 C ATOM 22 C HIS A 2 -20.530 -2.843 4.392 1.00 0.00 C ATOM 23 O HIS A 2 -20.057 -3.054 3.275 1.00 0.00 O ATOM 24 CB HIS A 2 -22.862 -3.459 3.680 1.00 0.00 C ATOM 25 CG HIS A 2 -22.764 -4.635 2.754 1.00 0.00 C ATOM 26 ND1 HIS A 2 -22.902 -5.963 2.994 1.00 0.00 N flip ATOM 27 CD2 HIS A 2 -22.535 -4.518 1.400 1.00 0.00 C flip ATOM 28 CE1 HIS A 2 -22.756 -6.613 1.794 1.00 0.00 C flip ATOM 29 NE2 HIS A 2 -22.537 -5.719 0.850 1.00 0.00 N flip ATOM 0 H HIS A 2 -22.245 -1.766 5.953 1.00 0.00 H new ATOM 0 HA HIS A 2 -21.651 -4.521 5.098 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -23.867 -3.423 4.100 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -22.724 -2.544 3.104 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -22.378 -3.589 0.871 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -22.811 -7.682 1.647 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -22.393 -5.921 -0.139 1.00 0.00 H new ATOM 38 N LYS A 3 -19.942 -2.066 5.292 1.00 0.00 N ATOM 39 CA LYS A 3 -18.674 -1.402 5.023 1.00 0.00 C ATOM 40 C LYS A 3 -17.544 -2.132 5.738 1.00 0.00 C ATOM 41 O LYS A 3 -17.713 -2.604 6.864 1.00 0.00 O ATOM 42 CB LYS A 3 -18.723 0.062 5.470 1.00 0.00 C ATOM 43 CG LYS A 3 -19.769 0.885 4.737 1.00 0.00 C ATOM 44 CD LYS A 3 -19.763 2.334 5.191 1.00 0.00 C ATOM 45 CE LYS A 3 -20.845 3.138 4.492 1.00 0.00 C ATOM 46 NZ LYS A 3 -20.792 4.579 4.856 1.00 0.00 N ATOM 0 H LYS A 3 -20.325 -1.880 6.219 1.00 0.00 H new ATOM 0 HA LYS A 3 -18.491 -1.426 3.949 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -18.927 0.100 6.540 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.743 0.514 5.316 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -19.582 0.839 3.664 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -20.756 0.454 4.907 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -19.913 2.380 6.270 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.788 2.777 4.986 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -20.735 3.033 3.413 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -21.823 2.734 4.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -21.547 5.091 4.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -20.923 4.683 5.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -19.869 4.972 4.583 1.00 0.00 H new ATOM 60 N ASP A 4 -16.399 -2.221 5.085 1.00 0.00 N ATOM 61 CA ASP A 4 -15.272 -2.973 5.614 1.00 0.00 C ATOM 62 C ASP A 4 -13.971 -2.229 5.335 1.00 0.00 C ATOM 63 O ASP A 4 -13.944 -1.300 4.529 1.00 0.00 O ATOM 64 CB ASP A 4 -15.243 -4.372 4.980 1.00 0.00 C ATOM 65 CG ASP A 4 -14.176 -5.275 5.573 1.00 0.00 C ATOM 66 OD1 ASP A 4 -14.345 -5.716 6.731 1.00 0.00 O ATOM 67 OD2 ASP A 4 -13.174 -5.557 4.882 1.00 0.00 O ATOM 0 H ASP A 4 -16.223 -1.780 4.182 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.382 -3.079 6.693 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -16.219 -4.841 5.106 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -15.073 -4.275 3.908 1.00 0.00 H new ATOM 72 N ILE A 5 -12.908 -2.614 6.019 1.00 0.00 N ATOM 73 CA ILE A 5 -11.601 -2.050 5.751 1.00 0.00 C ATOM 74 C ILE A 5 -11.045 -2.629 4.456 1.00 0.00 C ATOM 75 O ILE A 5 -10.768 -3.827 4.373 1.00 0.00 O ATOM 76 CB ILE A 5 -10.613 -2.327 6.909 1.00 0.00 C ATOM 77 CG1 ILE A 5 -11.065 -1.608 8.185 1.00 0.00 C ATOM 78 CG2 ILE A 5 -9.204 -1.899 6.527 1.00 0.00 C ATOM 79 CD1 ILE A 5 -11.083 -0.096 8.059 1.00 0.00 C ATOM 0 H ILE A 5 -12.926 -3.313 6.762 1.00 0.00 H new ATOM 0 HA ILE A 5 -11.716 -0.970 5.656 1.00 0.00 H new ATOM 0 HB ILE A 5 -10.605 -3.400 7.102 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.064 -1.953 8.452 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -10.402 -1.888 9.004 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.525 -2.102 7.355 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.881 -2.456 5.647 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.196 -0.832 6.305 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.413 0.344 9.000 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.081 0.261 7.823 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.768 0.195 7.263 1.00 0.00 H new ATOM 91 N PHE A 6 -10.910 -1.782 3.447 1.00 0.00 N ATOM 92 CA PHE A 6 -10.350 -2.197 2.168 1.00 0.00 C ATOM 93 C PHE A 6 -8.938 -2.727 2.370 1.00 0.00 C ATOM 94 O PHE A 6 -8.020 -1.972 2.674 1.00 0.00 O ATOM 95 CB PHE A 6 -10.346 -1.023 1.185 1.00 0.00 C ATOM 96 CG PHE A 6 -9.698 -1.335 -0.132 1.00 0.00 C ATOM 97 CD1 PHE A 6 -10.292 -2.212 -1.023 1.00 0.00 C ATOM 98 CD2 PHE A 6 -8.489 -0.755 -0.476 1.00 0.00 C ATOM 99 CE1 PHE A 6 -9.695 -2.506 -2.231 1.00 0.00 C ATOM 100 CE2 PHE A 6 -7.886 -1.045 -1.683 1.00 0.00 C ATOM 101 CZ PHE A 6 -8.490 -1.922 -2.561 1.00 0.00 C ATOM 0 H PHE A 6 -11.181 -0.800 3.489 1.00 0.00 H new ATOM 0 HA PHE A 6 -10.968 -2.992 1.751 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -11.374 -0.707 1.007 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -9.828 -0.180 1.643 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -11.235 -2.672 -0.769 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.012 -0.068 0.208 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -10.170 -3.192 -2.917 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -6.943 -0.586 -1.940 1.00 0.00 H new ATOM 0 HZ PHE A 6 -8.019 -2.151 -3.506 1.00 0.00 H new ATOM 111 N THR A 7 -8.776 -4.031 2.235 1.00 0.00 N ATOM 112 CA THR A 7 -7.492 -4.660 2.467 1.00 0.00 C ATOM 113 C THR A 7 -7.084 -5.495 1.259 1.00 0.00 C ATOM 114 O THR A 7 -7.799 -6.416 0.861 1.00 0.00 O ATOM 115 CB THR A 7 -7.545 -5.553 3.719 1.00 0.00 C ATOM 116 OG1 THR A 7 -8.208 -4.853 4.780 1.00 0.00 O ATOM 117 CG2 THR A 7 -6.145 -5.948 4.170 1.00 0.00 C ATOM 0 H THR A 7 -9.520 -4.674 1.965 1.00 0.00 H new ATOM 0 HA THR A 7 -6.753 -3.875 2.624 1.00 0.00 H new ATOM 0 HB THR A 7 -8.096 -6.460 3.470 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.144 -4.698 4.535 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.213 -6.579 5.056 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.647 -6.497 3.371 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.572 -5.051 4.406 1.00 0.00 H new ATOM 125 N SER A 8 -5.942 -5.163 0.681 1.00 0.00 N ATOM 126 CA SER A 8 -5.433 -5.878 -0.479 1.00 0.00 C ATOM 127 C SER A 8 -3.916 -5.708 -0.549 1.00 0.00 C ATOM 128 O SER A 8 -3.271 -5.443 0.468 1.00 0.00 O ATOM 129 CB SER A 8 -6.102 -5.346 -1.754 1.00 0.00 C ATOM 130 OG SER A 8 -5.869 -6.209 -2.856 1.00 0.00 O ATOM 0 H SER A 8 -5.346 -4.398 0.998 1.00 0.00 H new ATOM 0 HA SER A 8 -5.664 -6.939 -0.391 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.175 -5.244 -1.589 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.719 -4.351 -1.981 1.00 0.00 H new ATOM 0 HG SER A 8 -6.308 -5.847 -3.654 1.00 0.00 H new ATOM 136 N VAL A 9 -3.348 -5.866 -1.736 1.00 0.00 N ATOM 137 CA VAL A 9 -1.917 -5.684 -1.930 1.00 0.00 C ATOM 138 C VAL A 9 -1.652 -4.800 -3.142 1.00 0.00 C ATOM 139 O VAL A 9 -2.411 -4.818 -4.115 1.00 0.00 O ATOM 140 CB VAL A 9 -1.175 -7.032 -2.109 1.00 0.00 C ATOM 141 CG1 VAL A 9 -1.224 -7.854 -0.828 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.761 -7.823 -3.271 1.00 0.00 C ATOM 0 H VAL A 9 -3.858 -6.121 -2.582 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.535 -5.204 -1.029 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.132 -6.812 -2.335 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.696 -8.796 -0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.749 -7.297 -0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.262 -8.058 -0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.224 -8.765 -3.377 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.815 -8.025 -3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.665 -7.245 -4.190 1.00 0.00 H new ATOM 152 N VAL A 10 -0.588 -4.021 -3.077 1.00 0.00 N ATOM 153 CA VAL A 10 -0.226 -3.147 -4.177 1.00 0.00 C ATOM 154 C VAL A 10 1.129 -3.561 -4.750 1.00 0.00 C ATOM 155 O VAL A 10 1.974 -4.116 -4.041 1.00 0.00 O ATOM 156 CB VAL A 10 -0.204 -1.659 -3.742 1.00 0.00 C ATOM 157 CG1 VAL A 10 0.893 -1.395 -2.721 1.00 0.00 C ATOM 158 CG2 VAL A 10 -0.057 -0.735 -4.946 1.00 0.00 C ATOM 0 H VAL A 10 0.040 -3.976 -2.275 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.986 -3.248 -4.952 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.161 -1.444 -3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.881 -0.343 -2.438 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.724 -2.011 -1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.862 -1.642 -3.155 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.045 0.302 -4.610 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.875 -0.959 -5.465 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.896 -0.886 -5.625 1.00 0.00 H new ATOM 168 N ARG A 11 1.314 -3.314 -6.038 1.00 0.00 N ATOM 169 CA ARG A 11 2.535 -3.700 -6.731 1.00 0.00 C ATOM 170 C ARG A 11 3.606 -2.633 -6.535 1.00 0.00 C ATOM 171 O ARG A 11 3.407 -1.471 -6.895 1.00 0.00 O ATOM 172 CB ARG A 11 2.244 -3.897 -8.218 1.00 0.00 C ATOM 173 CG ARG A 11 1.020 -4.765 -8.481 1.00 0.00 C ATOM 174 CD ARG A 11 1.220 -6.177 -7.966 1.00 0.00 C ATOM 175 NE ARG A 11 -0.048 -6.888 -7.811 1.00 0.00 N ATOM 176 CZ ARG A 11 -0.181 -8.210 -7.926 1.00 0.00 C ATOM 177 NH1 ARG A 11 0.856 -8.959 -8.282 1.00 0.00 N ATOM 178 NH2 ARG A 11 -1.358 -8.782 -7.697 1.00 0.00 N ATOM 0 H ARG A 11 0.628 -2.844 -6.629 1.00 0.00 H new ATOM 0 HA ARG A 11 2.902 -4.639 -6.317 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.098 -2.923 -8.685 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.113 -4.352 -8.694 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.148 -4.321 -8.001 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.815 -4.792 -9.551 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.862 -6.727 -8.654 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.736 -6.143 -7.007 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.882 -6.339 -7.602 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.759 -8.524 -8.469 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.749 -9.970 -8.369 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.160 -8.210 -7.433 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.459 -9.793 -7.785 1.00 0.00 H new ATOM 192 N VAL A 12 4.734 -3.032 -5.966 1.00 0.00 N ATOM 193 CA VAL A 12 5.778 -2.090 -5.591 1.00 0.00 C ATOM 194 C VAL A 12 6.907 -2.074 -6.616 1.00 0.00 C ATOM 195 O VAL A 12 7.594 -3.078 -6.819 1.00 0.00 O ATOM 196 CB VAL A 12 6.360 -2.430 -4.205 1.00 0.00 C ATOM 197 CG1 VAL A 12 7.193 -1.278 -3.671 1.00 0.00 C ATOM 198 CG2 VAL A 12 5.252 -2.790 -3.232 1.00 0.00 C ATOM 0 H VAL A 12 4.950 -4.006 -5.753 1.00 0.00 H new ATOM 0 HA VAL A 12 5.317 -1.103 -5.556 1.00 0.00 H new ATOM 0 HB VAL A 12 7.013 -3.296 -4.314 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.593 -1.541 -2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.016 -1.075 -4.357 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.569 -0.389 -3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.684 -3.027 -2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.569 -1.947 -3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.706 -3.656 -3.607 1.00 0.00 H new ATOM 208 N ARG A 13 7.117 -0.920 -7.235 1.00 0.00 N ATOM 209 CA ARG A 13 8.146 -0.774 -8.258 1.00 0.00 C ATOM 210 C ARG A 13 8.966 0.483 -8.009 1.00 0.00 C ATOM 211 O ARG A 13 8.513 1.596 -8.278 1.00 0.00 O ATOM 212 CB ARG A 13 7.534 -0.723 -9.659 1.00 0.00 C ATOM 213 CG ARG A 13 8.580 -0.596 -10.755 1.00 0.00 C ATOM 214 CD ARG A 13 7.957 -0.445 -12.131 1.00 0.00 C ATOM 215 NE ARG A 13 8.984 -0.322 -13.164 1.00 0.00 N ATOM 216 CZ ARG A 13 8.777 -0.545 -14.460 1.00 0.00 C ATOM 217 NH1 ARG A 13 7.567 -0.864 -14.905 1.00 0.00 N ATOM 218 NH2 ARG A 13 9.787 -0.435 -15.315 1.00 0.00 N ATOM 0 H ARG A 13 6.587 -0.069 -7.047 1.00 0.00 H new ATOM 0 HA ARG A 13 8.797 -1.646 -8.200 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.946 -1.626 -9.827 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.847 0.121 -9.720 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.215 0.266 -10.550 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.223 -1.476 -10.744 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.325 -1.307 -12.344 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.313 0.434 -12.147 1.00 0.00 H new ATOM 0 HE ARG A 13 9.922 -0.047 -12.872 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.787 -0.940 -14.252 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.418 -1.033 -15.900 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.715 -0.181 -14.978 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.634 -0.605 -16.309 1.00 0.00 H new ATOM 232 N GLY A 14 10.171 0.295 -7.500 1.00 0.00 N ATOM 233 CA GLY A 14 11.018 1.409 -7.134 1.00 0.00 C ATOM 234 C GLY A 14 12.285 0.942 -6.452 1.00 0.00 C ATOM 235 O GLY A 14 12.550 -0.259 -6.393 1.00 0.00 O ATOM 0 H GLY A 14 10.583 -0.623 -7.332 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.273 1.981 -8.026 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.472 2.080 -6.470 1.00 0.00 H new ATOM 239 N SER A 15 13.056 1.877 -5.925 1.00 0.00 N ATOM 240 CA SER A 15 14.313 1.547 -5.271 1.00 0.00 C ATOM 241 C SER A 15 14.064 1.008 -3.862 1.00 0.00 C ATOM 242 O SER A 15 13.836 1.773 -2.922 1.00 0.00 O ATOM 243 CB SER A 15 15.223 2.779 -5.225 1.00 0.00 C ATOM 244 OG SER A 15 16.509 2.451 -4.727 1.00 0.00 O ATOM 0 H SER A 15 12.834 2.873 -5.937 1.00 0.00 H new ATOM 0 HA SER A 15 14.811 0.767 -5.848 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.315 3.203 -6.225 1.00 0.00 H new ATOM 0 HB3 SER A 15 14.771 3.544 -4.594 1.00 0.00 H new ATOM 0 HG SER A 15 17.176 3.047 -5.127 1.00 0.00 H new ATOM 250 N LYS A 16 14.097 -0.317 -3.736 1.00 0.00 N ATOM 251 CA LYS A 16 13.867 -1.000 -2.464 1.00 0.00 C ATOM 252 C LYS A 16 14.170 -2.491 -2.599 1.00 0.00 C ATOM 253 O LYS A 16 14.777 -2.921 -3.580 1.00 0.00 O ATOM 254 CB LYS A 16 12.419 -0.798 -1.968 1.00 0.00 C ATOM 255 CG LYS A 16 11.336 -0.849 -3.054 1.00 0.00 C ATOM 256 CD LYS A 16 11.390 -2.124 -3.887 1.00 0.00 C ATOM 257 CE LYS A 16 10.231 -2.208 -4.867 1.00 0.00 C ATOM 258 NZ LYS A 16 10.445 -3.248 -5.909 1.00 0.00 N ATOM 0 H LYS A 16 14.284 -0.949 -4.514 1.00 0.00 H new ATOM 0 HA LYS A 16 14.540 -0.563 -1.727 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.198 -1.563 -1.223 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.358 0.166 -1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.355 -0.768 -2.586 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.447 0.013 -3.711 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.332 -2.161 -4.434 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.371 -2.991 -3.226 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.313 -2.427 -4.322 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.093 -1.239 -5.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.582 -3.350 -6.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.235 -2.966 -6.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.667 -4.156 -5.453 1.00 0.00 H new ATOM 272 N LYS A 17 13.747 -3.273 -1.612 1.00 0.00 N ATOM 273 CA LYS A 17 13.885 -4.723 -1.670 1.00 0.00 C ATOM 274 C LYS A 17 12.548 -5.400 -1.386 1.00 0.00 C ATOM 275 O LYS A 17 12.352 -5.984 -0.320 1.00 0.00 O ATOM 276 CB LYS A 17 14.943 -5.215 -0.681 1.00 0.00 C ATOM 277 CG LYS A 17 16.343 -4.704 -0.977 1.00 0.00 C ATOM 278 CD LYS A 17 17.373 -5.360 -0.077 1.00 0.00 C ATOM 279 CE LYS A 17 18.779 -4.896 -0.409 1.00 0.00 C ATOM 280 NZ LYS A 17 19.801 -5.667 0.344 1.00 0.00 N ATOM 0 H LYS A 17 13.305 -2.926 -0.761 1.00 0.00 H new ATOM 0 HA LYS A 17 14.208 -4.988 -2.677 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.658 -4.906 0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.955 -6.305 -0.688 1.00 0.00 H new ATOM 0 HG2 LYS A 17 16.591 -4.901 -2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 17 16.374 -3.623 -0.840 1.00 0.00 H new ATOM 0 HD2 LYS A 17 17.149 -5.128 0.964 1.00 0.00 H new ATOM 0 HD3 LYS A 17 17.312 -6.443 -0.182 1.00 0.00 H new ATOM 0 HE2 LYS A 17 18.956 -5.005 -1.479 1.00 0.00 H new ATOM 0 HE3 LYS A 17 18.877 -3.836 -0.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 20.750 -5.323 0.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 19.647 -5.543 1.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 19.723 -6.676 0.102 1.00 0.00 H new ATOM 294 N TYR A 18 11.634 -5.298 -2.346 1.00 0.00 N ATOM 295 CA TYR A 18 10.293 -5.882 -2.238 1.00 0.00 C ATOM 296 C TYR A 18 9.661 -6.006 -3.619 1.00 0.00 C ATOM 297 O TYR A 18 10.246 -5.575 -4.613 1.00 0.00 O ATOM 298 CB TYR A 18 9.379 -5.040 -1.332 1.00 0.00 C ATOM 299 CG TYR A 18 9.477 -5.386 0.135 1.00 0.00 C ATOM 300 CD1 TYR A 18 9.071 -6.632 0.596 1.00 0.00 C ATOM 301 CD2 TYR A 18 9.966 -4.473 1.060 1.00 0.00 C ATOM 302 CE1 TYR A 18 9.154 -6.960 1.933 1.00 0.00 C ATOM 303 CE2 TYR A 18 10.054 -4.793 2.401 1.00 0.00 C ATOM 304 CZ TYR A 18 9.644 -6.036 2.833 1.00 0.00 C ATOM 305 OH TYR A 18 9.723 -6.356 4.171 1.00 0.00 O ATOM 0 H TYR A 18 11.799 -4.807 -3.225 1.00 0.00 H new ATOM 0 HA TYR A 18 10.401 -6.870 -1.791 1.00 0.00 H new ATOM 0 HB2 TYR A 18 9.626 -3.987 -1.463 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.346 -5.168 -1.656 1.00 0.00 H new ATOM 0 HD1 TYR A 18 8.684 -7.357 -0.105 1.00 0.00 H new ATOM 0 HD2 TYR A 18 10.283 -3.496 0.725 1.00 0.00 H new ATOM 0 HE1 TYR A 18 8.837 -7.935 2.274 1.00 0.00 H new ATOM 0 HE2 TYR A 18 10.442 -4.073 3.107 1.00 0.00 H new ATOM 0 HH TYR A 18 10.091 -5.596 4.668 1.00 0.00 H new ATOM 315 N ASN A 19 8.474 -6.593 -3.687 1.00 0.00 N ATOM 316 CA ASN A 19 7.762 -6.711 -4.955 1.00 0.00 C ATOM 317 C ASN A 19 6.294 -6.367 -4.776 1.00 0.00 C ATOM 318 O ASN A 19 5.731 -5.563 -5.520 1.00 0.00 O ATOM 319 CB ASN A 19 7.903 -8.122 -5.523 1.00 0.00 C ATOM 320 CG ASN A 19 7.645 -8.174 -7.017 1.00 0.00 C ATOM 321 OD1 ASN A 19 6.402 -8.405 -7.409 1.00 0.00 O flip ATOM 322 ND2 ASN A 19 8.568 -8.012 -7.814 1.00 0.00 N flip ATOM 0 H ASN A 19 7.985 -6.993 -2.886 1.00 0.00 H new ATOM 0 HA ASN A 19 8.204 -6.006 -5.659 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.907 -8.495 -5.317 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.206 -8.787 -5.014 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.513 -7.836 -7.472 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.389 -8.054 -8.817 1.00 0.00 H new ATOM 329 N VAL A 20 5.683 -6.981 -3.784 1.00 0.00 N ATOM 330 CA VAL A 20 4.287 -6.719 -3.456 1.00 0.00 C ATOM 331 C VAL A 20 4.137 -6.463 -1.961 1.00 0.00 C ATOM 332 O VAL A 20 4.697 -7.190 -1.137 1.00 0.00 O ATOM 333 CB VAL A 20 3.353 -7.879 -3.886 1.00 0.00 C ATOM 334 CG1 VAL A 20 3.249 -7.946 -5.402 1.00 0.00 C ATOM 335 CG2 VAL A 20 3.837 -9.212 -3.331 1.00 0.00 C ATOM 0 H VAL A 20 6.132 -7.672 -3.183 1.00 0.00 H new ATOM 0 HA VAL A 20 3.987 -5.832 -4.014 1.00 0.00 H new ATOM 0 HB VAL A 20 2.364 -7.680 -3.474 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.589 -8.766 -5.686 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.844 -7.007 -5.781 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.239 -8.113 -5.828 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.161 -10.006 -3.650 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.840 -9.418 -3.703 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.856 -9.167 -2.242 1.00 0.00 H new ATOM 345 N VAL A 21 3.405 -5.419 -1.614 1.00 0.00 N ATOM 346 CA VAL A 21 3.238 -5.043 -0.221 1.00 0.00 C ATOM 347 C VAL A 21 1.748 -4.901 0.115 1.00 0.00 C ATOM 348 O VAL A 21 0.962 -4.433 -0.716 1.00 0.00 O ATOM 349 CB VAL A 21 4.006 -3.727 0.085 1.00 0.00 C ATOM 350 CG1 VAL A 21 3.262 -2.505 -0.427 1.00 0.00 C ATOM 351 CG2 VAL A 21 4.311 -3.593 1.564 1.00 0.00 C ATOM 0 H VAL A 21 2.917 -4.817 -2.277 1.00 0.00 H new ATOM 0 HA VAL A 21 3.657 -5.830 0.407 1.00 0.00 H new ATOM 0 HB VAL A 21 4.954 -3.782 -0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.833 -1.607 -0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.135 -2.583 -1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.284 -2.448 0.051 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.849 -2.662 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.379 -3.587 2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.925 -4.434 1.886 1.00 0.00 H new ATOM 361 N PRO A 22 1.330 -5.347 1.314 1.00 0.00 N ATOM 362 CA PRO A 22 -0.067 -5.247 1.741 1.00 0.00 C ATOM 363 C PRO A 22 -0.482 -3.808 2.020 1.00 0.00 C ATOM 364 O PRO A 22 0.259 -3.038 2.641 1.00 0.00 O ATOM 365 CB PRO A 22 -0.119 -6.082 3.022 1.00 0.00 C ATOM 366 CG PRO A 22 1.274 -6.069 3.544 1.00 0.00 C ATOM 367 CD PRO A 22 2.173 -5.986 2.340 1.00 0.00 C ATOM 0 HA PRO A 22 -0.753 -5.597 0.969 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.815 -5.655 3.744 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.455 -7.099 2.818 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.433 -5.219 4.208 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.481 -6.969 4.123 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.066 -5.397 2.548 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.509 -6.973 2.023 1.00 0.00 H new ATOM 375 N VAL A 23 -1.673 -3.462 1.571 1.00 0.00 N ATOM 376 CA VAL A 23 -2.181 -2.110 1.684 1.00 0.00 C ATOM 377 C VAL A 23 -3.632 -2.147 2.162 1.00 0.00 C ATOM 378 O VAL A 23 -4.373 -3.082 1.849 1.00 0.00 O ATOM 379 CB VAL A 23 -2.066 -1.370 0.330 1.00 0.00 C ATOM 380 CG1 VAL A 23 -2.970 -1.995 -0.721 1.00 0.00 C ATOM 381 CG2 VAL A 23 -2.362 0.109 0.485 1.00 0.00 C ATOM 0 H VAL A 23 -2.316 -4.111 1.117 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.583 -1.564 2.414 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.036 -1.473 -0.011 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.866 -1.452 -1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.687 -3.037 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.006 -1.945 -0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.273 0.601 -0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.375 0.239 0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.651 0.551 1.183 1.00 0.00 H new ATOM 391 N LYS A 24 -4.032 -1.150 2.935 1.00 0.00 N ATOM 392 CA LYS A 24 -5.351 -1.146 3.545 1.00 0.00 C ATOM 393 C LYS A 24 -5.917 0.264 3.628 1.00 0.00 C ATOM 394 O LYS A 24 -5.264 1.233 3.234 1.00 0.00 O ATOM 395 CB LYS A 24 -5.302 -1.813 4.930 1.00 0.00 C ATOM 396 CG LYS A 24 -4.127 -1.377 5.799 1.00 0.00 C ATOM 397 CD LYS A 24 -4.431 -0.121 6.605 1.00 0.00 C ATOM 398 CE LYS A 24 -5.418 -0.401 7.728 1.00 0.00 C ATOM 399 NZ LYS A 24 -5.524 0.744 8.670 1.00 0.00 N ATOM 0 H LYS A 24 -3.462 -0.333 3.155 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.022 -1.726 2.912 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.230 -1.594 5.458 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.259 -2.894 4.798 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.863 -2.186 6.480 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.258 -1.197 5.166 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.506 0.276 7.023 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.837 0.646 5.945 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.399 -0.615 7.304 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.105 -1.292 8.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.950 0.421 9.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.576 1.128 8.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.120 1.485 8.250 1.00 0.00 H new ATOM 413 N SER A 25 -7.127 0.379 4.149 1.00 0.00 N ATOM 414 CA SER A 25 -7.792 1.660 4.244 1.00 0.00 C ATOM 415 C SER A 25 -7.847 2.099 5.696 1.00 0.00 C ATOM 416 O SER A 25 -8.214 1.328 6.583 1.00 0.00 O ATOM 417 CB SER A 25 -9.209 1.578 3.661 1.00 0.00 C ATOM 418 OG SER A 25 -10.020 0.674 4.388 1.00 0.00 O ATOM 0 H SER A 25 -7.668 -0.405 4.513 1.00 0.00 H new ATOM 0 HA SER A 25 -7.228 2.393 3.668 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.666 2.568 3.673 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.157 1.263 2.619 1.00 0.00 H new ATOM 0 HG SER A 25 -10.728 1.169 4.851 1.00 0.00 H new ATOM 424 N ASN A 26 -7.419 3.328 5.932 1.00 0.00 N ATOM 425 CA ASN A 26 -7.481 3.936 7.254 1.00 0.00 C ATOM 426 C ASN A 26 -8.909 3.915 7.785 1.00 0.00 C ATOM 427 O ASN A 26 -9.153 3.634 8.958 1.00 0.00 O ATOM 428 CB ASN A 26 -6.963 5.379 7.164 1.00 0.00 C ATOM 429 CG ASN A 26 -7.464 6.287 8.275 1.00 0.00 C ATOM 430 OD1 ASN A 26 -7.594 5.886 9.432 1.00 0.00 O ATOM 431 ND2 ASN A 26 -7.744 7.528 7.915 1.00 0.00 N ATOM 0 H ASN A 26 -7.019 3.933 5.215 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.858 3.368 7.945 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.873 5.365 7.184 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.258 5.801 6.203 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.082 8.196 8.608 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.622 7.817 6.945 1.00 0.00 H new ATOM 438 N LYS A 27 -9.847 4.174 6.897 1.00 0.00 N ATOM 439 CA LYS A 27 -11.232 4.347 7.277 1.00 0.00 C ATOM 440 C LYS A 27 -12.086 3.292 6.580 1.00 0.00 C ATOM 441 O LYS A 27 -11.821 2.947 5.425 1.00 0.00 O ATOM 442 CB LYS A 27 -11.648 5.769 6.893 1.00 0.00 C ATOM 443 CG LYS A 27 -12.985 6.232 7.440 1.00 0.00 C ATOM 444 CD LYS A 27 -13.186 7.712 7.157 1.00 0.00 C ATOM 445 CE LYS A 27 -12.082 8.548 7.796 1.00 0.00 C ATOM 446 NZ LYS A 27 -12.077 9.952 7.304 1.00 0.00 N ATOM 0 H LYS A 27 -9.671 4.270 5.897 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.371 4.216 8.350 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.877 6.459 7.236 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.677 5.839 5.806 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.791 5.655 6.986 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.029 6.051 8.514 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.198 7.881 6.080 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.156 8.030 7.540 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.209 8.546 8.879 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.116 8.089 7.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.343 10.493 7.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.879 9.961 6.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.006 10.385 7.480 1.00 0.00 H new ATOM 460 N PRO A 28 -13.084 2.725 7.284 1.00 0.00 N ATOM 461 CA PRO A 28 -13.975 1.709 6.712 1.00 0.00 C ATOM 462 C PRO A 28 -14.717 2.228 5.486 1.00 0.00 C ATOM 463 O PRO A 28 -15.373 3.271 5.533 1.00 0.00 O ATOM 464 CB PRO A 28 -14.959 1.393 7.847 1.00 0.00 C ATOM 465 CG PRO A 28 -14.828 2.522 8.813 1.00 0.00 C ATOM 466 CD PRO A 28 -13.416 3.021 8.686 1.00 0.00 C ATOM 0 HA PRO A 28 -13.424 0.834 6.368 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -15.979 1.314 7.471 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -14.719 0.441 8.321 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.542 3.313 8.586 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -15.033 2.189 9.831 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.344 4.087 8.901 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.744 2.511 9.376 1.00 0.00 H new ATOM 474 N VAL A 29 -14.605 1.492 4.392 1.00 0.00 N ATOM 475 CA VAL A 29 -15.155 1.926 3.121 1.00 0.00 C ATOM 476 C VAL A 29 -16.146 0.890 2.579 1.00 0.00 C ATOM 477 O VAL A 29 -16.111 -0.280 2.958 1.00 0.00 O ATOM 478 CB VAL A 29 -14.014 2.184 2.101 1.00 0.00 C ATOM 479 CG1 VAL A 29 -13.218 0.913 1.846 1.00 0.00 C ATOM 480 CG2 VAL A 29 -14.545 2.765 0.798 1.00 0.00 C ATOM 0 H VAL A 29 -14.135 0.587 4.361 1.00 0.00 H new ATOM 0 HA VAL A 29 -15.695 2.860 3.277 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.344 2.924 2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.424 1.119 1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -12.780 0.564 2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -13.879 0.144 1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.716 2.932 0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -15.254 2.068 0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -15.046 3.712 0.999 1.00 0.00 H new ATOM 490 N GLU A 30 -17.046 1.342 1.719 1.00 0.00 N ATOM 491 CA GLU A 30 -18.053 0.477 1.121 1.00 0.00 C ATOM 492 C GLU A 30 -17.412 -0.541 0.188 1.00 0.00 C ATOM 493 O GLU A 30 -16.671 -0.174 -0.727 1.00 0.00 O ATOM 494 CB GLU A 30 -19.047 1.318 0.329 1.00 0.00 C ATOM 495 CG GLU A 30 -19.628 2.479 1.115 1.00 0.00 C ATOM 496 CD GLU A 30 -20.418 3.419 0.234 1.00 0.00 C ATOM 497 OE1 GLU A 30 -21.614 3.156 -0.002 1.00 0.00 O ATOM 498 OE2 GLU A 30 -19.837 4.414 -0.245 1.00 0.00 O ATOM 0 H GLU A 30 -17.100 2.315 1.417 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.565 -0.054 1.924 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -18.553 1.705 -0.562 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -19.861 0.678 -0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -20.273 2.095 1.906 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -18.821 3.028 1.600 1.00 0.00 H new ATOM 505 N ILE A 31 -17.720 -1.815 0.397 1.00 0.00 N ATOM 506 CA ILE A 31 -17.204 -2.873 -0.466 1.00 0.00 C ATOM 507 C ILE A 31 -17.921 -2.873 -1.816 1.00 0.00 C ATOM 508 O ILE A 31 -17.543 -3.594 -2.735 1.00 0.00 O ATOM 509 CB ILE A 31 -17.324 -4.266 0.188 1.00 0.00 C ATOM 510 CG1 ILE A 31 -18.779 -4.567 0.562 1.00 0.00 C ATOM 511 CG2 ILE A 31 -16.420 -4.349 1.411 1.00 0.00 C ATOM 512 CD1 ILE A 31 -18.980 -5.940 1.170 1.00 0.00 C ATOM 0 H ILE A 31 -18.322 -2.141 1.153 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.145 -2.664 -0.621 1.00 0.00 H new ATOM 0 HB ILE A 31 -17.002 -5.019 -0.532 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -19.127 -3.812 1.267 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.400 -4.480 -0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -16.512 -5.336 1.865 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -15.385 -4.183 1.111 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -16.715 -3.588 2.134 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -20.034 -6.081 1.409 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -18.664 -6.703 0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -18.387 -6.025 2.081 1.00 0.00 H new ATOM 524 N SER A 32 -18.951 -2.042 -1.926 1.00 0.00 N ATOM 525 CA SER A 32 -19.668 -1.858 -3.181 1.00 0.00 C ATOM 526 C SER A 32 -18.723 -1.330 -4.260 1.00 0.00 C ATOM 527 O SER A 32 -18.861 -1.649 -5.442 1.00 0.00 O ATOM 528 CB SER A 32 -20.836 -0.890 -2.965 1.00 0.00 C ATOM 529 OG SER A 32 -21.547 -0.633 -4.166 1.00 0.00 O ATOM 0 H SER A 32 -19.310 -1.481 -1.154 1.00 0.00 H new ATOM 0 HA SER A 32 -20.061 -2.818 -3.515 1.00 0.00 H new ATOM 0 HB2 SER A 32 -21.518 -1.305 -2.223 1.00 0.00 H new ATOM 0 HB3 SER A 32 -20.458 0.049 -2.560 1.00 0.00 H new ATOM 0 HG SER A 32 -22.284 -0.013 -3.984 1.00 0.00 H new ATOM 535 N LYS A 33 -17.739 -0.542 -3.838 1.00 0.00 N ATOM 536 CA LYS A 33 -16.776 0.041 -4.762 1.00 0.00 C ATOM 537 C LYS A 33 -15.416 -0.645 -4.630 1.00 0.00 C ATOM 538 O LYS A 33 -14.413 -0.153 -5.143 1.00 0.00 O ATOM 539 CB LYS A 33 -16.646 1.548 -4.513 1.00 0.00 C ATOM 540 CG LYS A 33 -17.877 2.346 -4.933 1.00 0.00 C ATOM 541 CD LYS A 33 -17.684 3.843 -4.717 1.00 0.00 C ATOM 542 CE LYS A 33 -17.831 4.236 -3.256 1.00 0.00 C ATOM 543 NZ LYS A 33 -19.254 4.227 -2.816 1.00 0.00 N ATOM 0 H LYS A 33 -17.589 -0.293 -2.860 1.00 0.00 H new ATOM 0 HA LYS A 33 -17.137 -0.113 -5.779 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.458 1.718 -3.453 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.778 1.924 -5.055 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.092 2.156 -5.984 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.742 2.005 -4.364 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -16.696 4.135 -5.072 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -18.413 4.391 -5.314 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -17.256 3.549 -2.636 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -17.411 5.230 -3.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -19.318 4.582 -1.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -19.815 4.837 -3.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -19.624 3.256 -2.856 1.00 0.00 H new ATOM 557 N TRP A 34 -15.407 -1.803 -3.971 1.00 0.00 N ATOM 558 CA TRP A 34 -14.176 -2.560 -3.725 1.00 0.00 C ATOM 559 C TRP A 34 -13.474 -2.893 -5.042 1.00 0.00 C ATOM 560 O TRP A 34 -12.244 -2.881 -5.130 1.00 0.00 O ATOM 561 CB TRP A 34 -14.514 -3.849 -2.965 1.00 0.00 C ATOM 562 CG TRP A 34 -13.330 -4.563 -2.384 1.00 0.00 C ATOM 563 CD1 TRP A 34 -12.831 -4.420 -1.122 1.00 0.00 C ATOM 564 CD2 TRP A 34 -12.507 -5.542 -3.033 1.00 0.00 C ATOM 565 NE1 TRP A 34 -11.747 -5.245 -0.946 1.00 0.00 N ATOM 566 CE2 TRP A 34 -11.528 -5.943 -2.104 1.00 0.00 C ATOM 567 CE3 TRP A 34 -12.502 -6.119 -4.307 1.00 0.00 C ATOM 568 CZ2 TRP A 34 -10.555 -6.891 -2.410 1.00 0.00 C ATOM 569 CZ3 TRP A 34 -11.537 -7.058 -4.608 1.00 0.00 C ATOM 570 CH2 TRP A 34 -10.576 -7.438 -3.662 1.00 0.00 C ATOM 0 H TRP A 34 -16.247 -2.243 -3.594 1.00 0.00 H new ATOM 0 HA TRP A 34 -13.500 -1.951 -3.125 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -15.207 -3.608 -2.159 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -15.034 -4.527 -3.641 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -13.230 -3.755 -0.371 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -11.195 -5.325 -0.092 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -13.240 -5.835 -5.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -9.811 -7.183 -1.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -11.522 -7.508 -5.590 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -9.836 -8.179 -3.928 1.00 0.00 H new ATOM 581 N ILE A 35 -14.273 -3.170 -6.068 1.00 0.00 N ATOM 582 CA ILE A 35 -13.756 -3.538 -7.382 1.00 0.00 C ATOM 583 C ILE A 35 -12.991 -2.376 -8.016 1.00 0.00 C ATOM 584 O ILE A 35 -11.942 -2.568 -8.631 1.00 0.00 O ATOM 585 CB ILE A 35 -14.901 -3.964 -8.331 1.00 0.00 C ATOM 586 CG1 ILE A 35 -15.732 -5.083 -7.695 1.00 0.00 C ATOM 587 CG2 ILE A 35 -14.342 -4.413 -9.676 1.00 0.00 C ATOM 588 CD1 ILE A 35 -16.936 -5.498 -8.518 1.00 0.00 C ATOM 0 H ILE A 35 -15.291 -3.146 -6.013 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.078 -4.379 -7.236 1.00 0.00 H new ATOM 0 HB ILE A 35 -15.549 -3.104 -8.499 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -15.094 -5.953 -7.539 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.071 -4.756 -6.712 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -15.162 -4.709 -10.330 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.791 -3.591 -10.134 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.673 -5.260 -9.527 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -17.473 -6.294 -8.002 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -17.597 -4.642 -8.652 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -16.604 -5.857 -9.492 1.00 0.00 H new ATOM 600 N ASP A 36 -13.509 -1.170 -7.845 1.00 0.00 N ATOM 601 CA ASP A 36 -12.901 0.008 -8.452 1.00 0.00 C ATOM 602 C ASP A 36 -11.595 0.354 -7.743 1.00 0.00 C ATOM 603 O ASP A 36 -10.588 0.661 -8.385 1.00 0.00 O ATOM 604 CB ASP A 36 -13.874 1.187 -8.405 1.00 0.00 C ATOM 605 CG ASP A 36 -13.395 2.376 -9.214 1.00 0.00 C ATOM 606 OD1 ASP A 36 -12.880 2.178 -10.336 1.00 0.00 O ATOM 607 OD2 ASP A 36 -13.559 3.519 -8.744 1.00 0.00 O ATOM 0 H ASP A 36 -14.346 -0.979 -7.294 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.675 -0.209 -9.496 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -14.846 0.866 -8.780 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -14.018 1.493 -7.369 1.00 0.00 H new ATOM 612 N PHE A 37 -11.614 0.267 -6.414 1.00 0.00 N ATOM 613 CA PHE A 37 -10.425 0.520 -5.600 1.00 0.00 C ATOM 614 C PHE A 37 -9.278 -0.414 -5.988 1.00 0.00 C ATOM 615 O PHE A 37 -8.141 0.023 -6.166 1.00 0.00 O ATOM 616 CB PHE A 37 -10.740 0.337 -4.113 1.00 0.00 C ATOM 617 CG PHE A 37 -11.405 1.515 -3.460 1.00 0.00 C ATOM 618 CD1 PHE A 37 -12.715 1.851 -3.758 1.00 0.00 C ATOM 619 CD2 PHE A 37 -10.717 2.277 -2.530 1.00 0.00 C ATOM 620 CE1 PHE A 37 -13.327 2.923 -3.140 1.00 0.00 C ATOM 621 CE2 PHE A 37 -11.324 3.353 -1.912 1.00 0.00 C ATOM 622 CZ PHE A 37 -12.630 3.674 -2.217 1.00 0.00 C ATOM 0 H PHE A 37 -12.445 0.022 -5.875 1.00 0.00 H new ATOM 0 HA PHE A 37 -10.119 1.550 -5.784 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -11.383 -0.536 -3.997 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -9.812 0.122 -3.583 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -13.264 1.268 -4.482 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -9.695 2.027 -2.285 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -14.350 3.173 -3.379 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -10.777 3.942 -1.191 1.00 0.00 H new ATOM 0 HZ PHE A 37 -13.107 4.513 -1.733 1.00 0.00 H new ATOM 632 N SER A 38 -9.586 -1.696 -6.133 1.00 0.00 N ATOM 633 CA SER A 38 -8.571 -2.698 -6.442 1.00 0.00 C ATOM 634 C SER A 38 -8.028 -2.520 -7.861 1.00 0.00 C ATOM 635 O SER A 38 -6.872 -2.850 -8.139 1.00 0.00 O ATOM 636 CB SER A 38 -9.146 -4.101 -6.246 1.00 0.00 C ATOM 637 OG SER A 38 -10.467 -4.182 -6.748 1.00 0.00 O ATOM 0 H SER A 38 -10.531 -2.068 -6.042 1.00 0.00 H new ATOM 0 HA SER A 38 -7.735 -2.564 -5.756 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.515 -4.831 -6.753 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.139 -4.356 -5.186 1.00 0.00 H new ATOM 0 HG SER A 38 -11.093 -3.835 -6.079 1.00 0.00 H new ATOM 643 N ASN A 39 -8.857 -1.982 -8.751 1.00 0.00 N ATOM 644 CA ASN A 39 -8.423 -1.695 -10.115 1.00 0.00 C ATOM 645 C ASN A 39 -7.486 -0.498 -10.146 1.00 0.00 C ATOM 646 O ASN A 39 -6.674 -0.359 -11.061 1.00 0.00 O ATOM 647 CB ASN A 39 -9.614 -1.456 -11.046 1.00 0.00 C ATOM 648 CG ASN A 39 -10.097 -2.736 -11.701 1.00 0.00 C ATOM 649 OD1 ASN A 39 -9.610 -3.119 -12.763 1.00 0.00 O ATOM 650 ND2 ASN A 39 -11.048 -3.409 -11.076 1.00 0.00 N ATOM 0 H ASN A 39 -9.827 -1.737 -8.554 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.884 -2.572 -10.474 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.431 -1.009 -10.480 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.332 -0.740 -11.817 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.403 -4.279 -11.474 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.427 -3.058 -10.196 1.00 0.00 H new ATOM 657 N VAL A 40 -7.596 0.369 -9.149 1.00 0.00 N ATOM 658 CA VAL A 40 -6.671 1.485 -9.015 1.00 0.00 C ATOM 659 C VAL A 40 -5.302 0.976 -8.576 1.00 0.00 C ATOM 660 O VAL A 40 -4.275 1.373 -9.126 1.00 0.00 O ATOM 661 CB VAL A 40 -7.172 2.539 -8.004 1.00 0.00 C ATOM 662 CG1 VAL A 40 -6.189 3.694 -7.901 1.00 0.00 C ATOM 663 CG2 VAL A 40 -8.547 3.051 -8.395 1.00 0.00 C ATOM 0 H VAL A 40 -8.313 0.322 -8.425 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.600 1.964 -9.991 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.248 2.060 -7.028 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.561 4.425 -7.184 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.221 3.319 -7.568 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.079 4.167 -8.877 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -8.879 3.792 -7.668 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.498 3.508 -9.383 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.253 2.220 -8.415 1.00 0.00 H new ATOM 673 N LEU A 41 -5.297 0.068 -7.603 1.00 0.00 N ATOM 674 CA LEU A 41 -4.052 -0.478 -7.067 1.00 0.00 C ATOM 675 C LEU A 41 -3.230 -1.162 -8.155 1.00 0.00 C ATOM 676 O LEU A 41 -2.013 -0.985 -8.235 1.00 0.00 O ATOM 677 CB LEU A 41 -4.332 -1.481 -5.947 1.00 0.00 C ATOM 678 CG LEU A 41 -5.000 -0.912 -4.696 1.00 0.00 C ATOM 679 CD1 LEU A 41 -5.197 -2.011 -3.669 1.00 0.00 C ATOM 680 CD2 LEU A 41 -4.171 0.220 -4.109 1.00 0.00 C ATOM 0 H LEU A 41 -6.141 -0.306 -7.169 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.482 0.361 -6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.965 -2.274 -6.345 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.389 -1.943 -5.654 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.974 -0.509 -4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.674 -1.597 -2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.830 -2.793 -4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.229 -2.434 -3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.666 0.610 -3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.183 -0.154 -3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.069 1.017 -4.846 1.00 0.00 H new ATOM 692 N SER A 42 -3.905 -1.929 -9.004 1.00 0.00 N ATOM 693 CA SER A 42 -3.241 -2.674 -10.066 1.00 0.00 C ATOM 694 C SER A 42 -2.879 -1.761 -11.241 1.00 0.00 C ATOM 695 O SER A 42 -2.351 -2.211 -12.260 1.00 0.00 O ATOM 696 CB SER A 42 -4.143 -3.823 -10.528 1.00 0.00 C ATOM 697 OG SER A 42 -5.492 -3.395 -10.657 1.00 0.00 O ATOM 0 H SER A 42 -4.917 -2.051 -8.976 1.00 0.00 H new ATOM 0 HA SER A 42 -2.311 -3.086 -9.674 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.787 -4.207 -11.484 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.086 -4.644 -9.814 1.00 0.00 H new ATOM 0 HG SER A 42 -5.915 -3.377 -9.773 1.00 0.00 H new ATOM 703 N ARG A 43 -3.161 -0.476 -11.087 1.00 0.00 N ATOM 704 CA ARG A 43 -2.862 0.505 -12.116 1.00 0.00 C ATOM 705 C ARG A 43 -1.750 1.444 -11.654 1.00 0.00 C ATOM 706 O ARG A 43 -1.137 2.148 -12.457 1.00 0.00 O ATOM 707 CB ARG A 43 -4.130 1.296 -12.435 1.00 0.00 C ATOM 708 CG ARG A 43 -3.998 2.257 -13.604 1.00 0.00 C ATOM 709 CD ARG A 43 -5.300 2.995 -13.851 1.00 0.00 C ATOM 710 NE ARG A 43 -5.707 3.788 -12.689 1.00 0.00 N ATOM 711 CZ ARG A 43 -6.964 3.893 -12.252 1.00 0.00 C ATOM 712 NH1 ARG A 43 -7.949 3.236 -12.853 1.00 0.00 N ATOM 713 NH2 ARG A 43 -7.234 4.661 -11.206 1.00 0.00 N ATOM 0 H ARG A 43 -3.600 -0.088 -10.252 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.518 -0.007 -13.014 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.936 0.594 -12.648 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.423 1.860 -11.549 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.202 2.974 -13.402 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.712 1.707 -14.501 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.188 3.649 -14.716 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.084 2.277 -14.093 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.982 4.294 -12.180 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.749 2.643 -13.658 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.905 3.325 -12.509 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.483 5.169 -10.739 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.193 4.744 -10.868 1.00 0.00 H new ATOM 727 N LEU A 44 -1.489 1.440 -10.352 1.00 0.00 N ATOM 728 CA LEU A 44 -0.516 2.349 -9.757 1.00 0.00 C ATOM 729 C LEU A 44 0.912 1.936 -10.074 1.00 0.00 C ATOM 730 O LEU A 44 1.593 2.584 -10.870 1.00 0.00 O ATOM 731 CB LEU A 44 -0.708 2.426 -8.238 1.00 0.00 C ATOM 732 CG LEU A 44 -2.051 2.998 -7.778 1.00 0.00 C ATOM 733 CD1 LEU A 44 -2.136 2.997 -6.261 1.00 0.00 C ATOM 734 CD2 LEU A 44 -2.247 4.406 -8.323 1.00 0.00 C ATOM 0 H LEU A 44 -1.940 0.814 -9.685 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.687 3.333 -10.193 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.597 1.424 -7.823 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.091 3.036 -7.817 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.848 2.365 -8.169 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.097 3.407 -5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.040 1.976 -5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.332 3.608 -5.851 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.207 4.796 -7.986 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.446 5.051 -7.962 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.228 4.380 -9.413 1.00 0.00 H new ATOM 746 N TYR A 45 1.341 0.848 -9.451 1.00 0.00 N ATOM 747 CA TYR A 45 2.726 0.385 -9.534 1.00 0.00 C ATOM 748 C TYR A 45 3.681 1.465 -9.031 1.00 0.00 C ATOM 749 O TYR A 45 4.289 2.203 -9.809 1.00 0.00 O ATOM 750 CB TYR A 45 3.090 -0.056 -10.959 1.00 0.00 C ATOM 751 CG TYR A 45 2.571 -1.433 -11.314 1.00 0.00 C ATOM 752 CD1 TYR A 45 1.235 -1.643 -11.635 1.00 0.00 C ATOM 753 CD2 TYR A 45 3.426 -2.528 -11.324 1.00 0.00 C ATOM 754 CE1 TYR A 45 0.767 -2.905 -11.952 1.00 0.00 C ATOM 755 CE2 TYR A 45 2.966 -3.792 -11.642 1.00 0.00 C ATOM 756 CZ TYR A 45 1.636 -3.975 -11.954 1.00 0.00 C ATOM 757 OH TYR A 45 1.175 -5.233 -12.265 1.00 0.00 O ATOM 0 H TYR A 45 0.742 0.259 -8.873 1.00 0.00 H new ATOM 0 HA TYR A 45 2.826 -0.489 -8.891 1.00 0.00 H new ATOM 0 HB2 TYR A 45 2.691 0.669 -11.669 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.174 -0.045 -11.069 1.00 0.00 H new ATOM 0 HD1 TYR A 45 0.551 -0.807 -11.637 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.469 -2.389 -11.079 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.275 -3.052 -12.197 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.645 -4.632 -11.646 1.00 0.00 H new ATOM 0 HH TYR A 45 1.916 -5.873 -12.221 1.00 0.00 H new ATOM 767 N VAL A 46 3.791 1.554 -7.715 1.00 0.00 N ATOM 768 CA VAL A 46 4.605 2.574 -7.072 1.00 0.00 C ATOM 769 C VAL A 46 5.608 1.911 -6.130 1.00 0.00 C ATOM 770 O VAL A 46 5.301 0.894 -5.516 1.00 0.00 O ATOM 771 CB VAL A 46 3.716 3.585 -6.303 1.00 0.00 C ATOM 772 CG1 VAL A 46 2.859 2.877 -5.265 1.00 0.00 C ATOM 773 CG2 VAL A 46 4.555 4.676 -5.654 1.00 0.00 C ATOM 0 H VAL A 46 3.321 0.924 -7.065 1.00 0.00 H new ATOM 0 HA VAL A 46 5.149 3.126 -7.838 1.00 0.00 H new ATOM 0 HB VAL A 46 3.053 4.058 -7.027 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.245 3.609 -4.740 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.214 2.151 -5.760 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.503 2.364 -4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.903 5.369 -5.123 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.256 4.226 -4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.108 5.216 -6.423 1.00 0.00 H new ATOM 783 N GLY A 47 6.810 2.455 -6.045 1.00 0.00 N ATOM 784 CA GLY A 47 7.833 1.838 -5.226 1.00 0.00 C ATOM 785 C GLY A 47 8.651 2.839 -4.447 1.00 0.00 C ATOM 786 O GLY A 47 9.690 3.305 -4.915 1.00 0.00 O ATOM 0 H GLY A 47 7.096 3.308 -6.525 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.363 1.142 -4.531 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.496 1.253 -5.863 1.00 0.00 H new ATOM 790 N VAL A 48 8.185 3.161 -3.258 1.00 0.00 N ATOM 791 CA VAL A 48 8.889 4.087 -2.382 1.00 0.00 C ATOM 792 C VAL A 48 9.062 3.475 -0.996 1.00 0.00 C ATOM 793 O VAL A 48 8.077 3.116 -0.349 1.00 0.00 O ATOM 794 CB VAL A 48 8.138 5.432 -2.248 1.00 0.00 C ATOM 795 CG1 VAL A 48 8.904 6.392 -1.350 1.00 0.00 C ATOM 796 CG2 VAL A 48 7.900 6.058 -3.613 1.00 0.00 C ATOM 0 H VAL A 48 7.316 2.794 -2.870 1.00 0.00 H new ATOM 0 HA VAL A 48 9.864 4.278 -2.831 1.00 0.00 H new ATOM 0 HB VAL A 48 7.170 5.231 -1.790 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.357 7.331 -1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.016 5.952 -0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.889 6.581 -1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.370 7.003 -3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.857 6.238 -4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.302 5.382 -4.224 1.00 0.00 H new ATOM 806 N PRO A 49 10.317 3.320 -0.534 1.00 0.00 N ATOM 807 CA PRO A 49 10.609 2.811 0.812 1.00 0.00 C ATOM 808 C PRO A 49 9.960 3.670 1.896 1.00 0.00 C ATOM 809 O PRO A 49 10.342 4.824 2.106 1.00 0.00 O ATOM 810 CB PRO A 49 12.141 2.878 0.913 1.00 0.00 C ATOM 811 CG PRO A 49 12.572 3.776 -0.197 1.00 0.00 C ATOM 812 CD PRO A 49 11.550 3.616 -1.283 1.00 0.00 C ATOM 0 HA PRO A 49 10.215 1.806 0.961 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.454 3.271 1.880 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.585 1.888 0.812 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.625 4.812 0.138 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.566 3.505 -0.554 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.451 4.522 -1.882 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.811 2.809 -1.967 1.00 0.00 H new ATOM 820 N THR A 50 8.969 3.107 2.567 1.00 0.00 N ATOM 821 CA THR A 50 8.190 3.845 3.547 1.00 0.00 C ATOM 822 C THR A 50 7.953 3.021 4.811 1.00 0.00 C ATOM 823 O THR A 50 8.275 1.833 4.860 1.00 0.00 O ATOM 824 CB THR A 50 6.840 4.265 2.941 1.00 0.00 C ATOM 825 OG1 THR A 50 6.353 3.223 2.088 1.00 0.00 O ATOM 826 CG2 THR A 50 6.972 5.559 2.151 1.00 0.00 C ATOM 0 H THR A 50 8.684 2.135 2.450 1.00 0.00 H new ATOM 0 HA THR A 50 8.759 4.733 3.823 1.00 0.00 H new ATOM 0 HB THR A 50 6.135 4.435 3.755 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.834 3.247 1.235 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.002 5.831 1.734 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.320 6.354 2.811 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.689 5.420 1.342 1.00 0.00 H new ATOM 834 N LYS A 51 7.400 3.663 5.835 1.00 0.00 N ATOM 835 CA LYS A 51 7.123 2.999 7.103 1.00 0.00 C ATOM 836 C LYS A 51 5.644 2.623 7.194 1.00 0.00 C ATOM 837 O LYS A 51 4.868 2.922 6.290 1.00 0.00 O ATOM 838 CB LYS A 51 7.500 3.911 8.276 1.00 0.00 C ATOM 839 CG LYS A 51 8.950 4.370 8.262 1.00 0.00 C ATOM 840 CD LYS A 51 9.278 5.187 9.500 1.00 0.00 C ATOM 841 CE LYS A 51 10.705 5.722 9.473 1.00 0.00 C ATOM 842 NZ LYS A 51 10.914 6.728 8.397 1.00 0.00 N ATOM 0 H LYS A 51 7.134 4.647 5.810 1.00 0.00 H new ATOM 0 HA LYS A 51 7.723 2.091 7.154 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.852 4.787 8.264 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.306 3.384 9.210 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.608 3.503 8.210 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.137 4.966 7.369 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.580 6.021 9.579 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.139 4.570 10.388 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.940 6.172 10.438 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.398 4.893 9.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.840 7.184 8.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.884 6.257 7.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.165 7.448 8.444 1.00 0.00 H new ATOM 856 N SER A 52 5.259 1.978 8.288 1.00 0.00 N ATOM 857 CA SER A 52 3.876 1.565 8.487 1.00 0.00 C ATOM 858 C SER A 52 2.972 2.775 8.700 1.00 0.00 C ATOM 859 O SER A 52 3.263 3.642 9.527 1.00 0.00 O ATOM 860 CB SER A 52 3.790 0.614 9.681 1.00 0.00 C ATOM 861 OG SER A 52 4.711 0.988 10.692 1.00 0.00 O ATOM 0 H SER A 52 5.887 1.729 9.052 1.00 0.00 H new ATOM 0 HA SER A 52 3.533 1.046 7.592 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.778 0.621 10.085 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.996 -0.405 9.355 1.00 0.00 H new ATOM 0 HG SER A 52 4.638 0.367 11.447 1.00 0.00 H new ATOM 867 N GLY A 53 1.887 2.837 7.945 1.00 0.00 N ATOM 868 CA GLY A 53 0.986 3.962 8.040 1.00 0.00 C ATOM 869 C GLY A 53 1.308 5.010 7.005 1.00 0.00 C ATOM 870 O GLY A 53 1.070 6.201 7.213 1.00 0.00 O ATOM 0 H GLY A 53 1.615 2.126 7.267 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.041 3.621 7.908 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.051 4.400 9.036 1.00 0.00 H new ATOM 874 N ASN A 54 1.865 4.565 5.887 1.00 0.00 N ATOM 875 CA ASN A 54 2.212 5.474 4.803 1.00 0.00 C ATOM 876 C ASN A 54 1.027 5.645 3.867 1.00 0.00 C ATOM 877 O ASN A 54 0.400 4.669 3.459 1.00 0.00 O ATOM 878 CB ASN A 54 3.443 4.985 4.021 1.00 0.00 C ATOM 879 CG ASN A 54 3.229 3.660 3.303 1.00 0.00 C ATOM 880 OD1 ASN A 54 2.722 3.621 2.184 1.00 0.00 O ATOM 881 ND2 ASN A 54 3.636 2.568 3.930 1.00 0.00 N ATOM 0 H ASN A 54 2.085 3.585 5.707 1.00 0.00 H new ATOM 0 HA ASN A 54 2.465 6.438 5.245 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.721 5.743 3.289 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.282 4.883 4.709 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.533 1.656 3.485 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.052 2.638 4.858 1.00 0.00 H new ATOM 888 N VAL A 55 0.707 6.889 3.549 1.00 0.00 N ATOM 889 CA VAL A 55 -0.435 7.184 2.698 1.00 0.00 C ATOM 890 C VAL A 55 -0.028 7.190 1.229 1.00 0.00 C ATOM 891 O VAL A 55 0.694 8.080 0.785 1.00 0.00 O ATOM 892 CB VAL A 55 -1.063 8.551 3.040 1.00 0.00 C ATOM 893 CG1 VAL A 55 -2.332 8.772 2.233 1.00 0.00 C ATOM 894 CG2 VAL A 55 -1.348 8.670 4.527 1.00 0.00 C ATOM 0 H VAL A 55 1.221 7.710 3.867 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.171 6.400 2.877 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.343 9.326 2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.761 9.741 2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.096 8.748 1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.051 7.986 2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.790 9.644 4.736 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.041 7.885 4.829 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.418 8.567 5.085 1.00 0.00 H new ATOM 904 N VAL A 56 -0.492 6.204 0.486 1.00 0.00 N ATOM 905 CA VAL A 56 -0.234 6.139 -0.944 1.00 0.00 C ATOM 906 C VAL A 56 -1.174 7.087 -1.682 1.00 0.00 C ATOM 907 O VAL A 56 -0.743 8.074 -2.279 1.00 0.00 O ATOM 908 CB VAL A 56 -0.425 4.706 -1.488 1.00 0.00 C ATOM 909 CG1 VAL A 56 -0.055 4.636 -2.964 1.00 0.00 C ATOM 910 CG2 VAL A 56 0.395 3.708 -0.678 1.00 0.00 C ATOM 0 H VAL A 56 -1.052 5.433 0.849 1.00 0.00 H new ATOM 0 HA VAL A 56 0.802 6.434 -1.110 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.478 4.442 -1.388 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.197 3.618 -3.327 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.691 5.315 -3.531 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.988 4.925 -3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.246 2.705 -1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.451 3.970 -0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.075 3.735 0.364 1.00 0.00 H new ATOM 920 N CYS A 57 -2.463 6.794 -1.615 1.00 0.00 N ATOM 921 CA CYS A 57 -3.466 7.619 -2.266 1.00 0.00 C ATOM 922 C CYS A 57 -4.135 8.540 -1.250 1.00 0.00 C ATOM 923 O CYS A 57 -4.785 8.077 -0.310 1.00 0.00 O ATOM 924 CB CYS A 57 -4.511 6.740 -2.956 1.00 0.00 C ATOM 925 SG CYS A 57 -3.821 5.621 -4.196 1.00 0.00 S ATOM 0 H CYS A 57 -2.839 5.989 -1.115 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.975 8.233 -3.021 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.033 6.153 -2.201 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.254 7.381 -3.432 1.00 0.00 H new ATOM 0 HG CYS A 57 -4.615 5.570 -5.224 1.00 0.00 H new ATOM 931 N LYS A 58 -3.962 9.843 -1.439 1.00 0.00 N ATOM 932 CA LYS A 58 -4.548 10.831 -0.539 1.00 0.00 C ATOM 933 C LYS A 58 -5.993 11.091 -0.945 1.00 0.00 C ATOM 934 O LYS A 58 -6.234 11.774 -1.940 1.00 0.00 O ATOM 935 CB LYS A 58 -3.771 12.157 -0.593 1.00 0.00 C ATOM 936 CG LYS A 58 -2.317 12.028 -1.029 1.00 0.00 C ATOM 937 CD LYS A 58 -1.449 11.363 0.026 1.00 0.00 C ATOM 938 CE LYS A 58 0.008 11.337 -0.405 1.00 0.00 C ATOM 939 NZ LYS A 58 0.891 10.741 0.628 1.00 0.00 N ATOM 0 H LYS A 58 -3.421 10.241 -2.207 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.502 10.437 0.476 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.282 12.834 -1.278 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.800 12.619 0.394 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.268 11.450 -1.952 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.919 13.018 -1.251 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.543 11.899 0.970 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.798 10.345 0.201 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.101 10.769 -1.331 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.339 12.353 -0.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.882 10.970 0.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.643 11.127 1.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.768 9.708 0.636 1.00 0.00 H new ATOM 953 N ASN A 59 -6.942 10.537 -0.189 1.00 0.00 N ATOM 954 CA ASN A 59 -8.365 10.671 -0.515 1.00 0.00 C ATOM 955 C ASN A 59 -8.610 10.192 -1.941 1.00 0.00 C ATOM 956 O ASN A 59 -8.942 10.972 -2.840 1.00 0.00 O ATOM 957 CB ASN A 59 -8.833 12.121 -0.326 1.00 0.00 C ATOM 958 CG ASN A 59 -10.329 12.280 -0.516 1.00 0.00 C ATOM 959 OD1 ASN A 59 -11.092 11.344 -0.296 1.00 0.00 O ATOM 960 ND2 ASN A 59 -10.763 13.469 -0.912 1.00 0.00 N ATOM 0 H ASN A 59 -6.753 9.992 0.652 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.947 10.050 0.165 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.559 12.460 0.673 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.310 12.763 -1.035 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.762 13.630 -1.044 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.098 14.223 -1.085 1.00 0.00 H new ATOM 967 N ILE A 60 -8.411 8.896 -2.135 1.00 0.00 N ATOM 968 CA ILE A 60 -8.467 8.286 -3.454 1.00 0.00 C ATOM 969 C ILE A 60 -9.852 8.442 -4.087 1.00 0.00 C ATOM 970 O ILE A 60 -10.835 7.877 -3.610 1.00 0.00 O ATOM 971 CB ILE A 60 -8.061 6.788 -3.390 1.00 0.00 C ATOM 972 CG1 ILE A 60 -8.172 6.124 -4.770 1.00 0.00 C ATOM 973 CG2 ILE A 60 -8.902 6.041 -2.361 1.00 0.00 C ATOM 974 CD1 ILE A 60 -7.676 4.691 -4.793 1.00 0.00 C ATOM 0 H ILE A 60 -8.206 8.239 -1.382 1.00 0.00 H new ATOM 0 HA ILE A 60 -7.751 8.810 -4.087 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.018 6.739 -3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -9.213 6.145 -5.092 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.603 6.709 -5.493 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.599 4.994 -2.334 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -8.754 6.487 -1.377 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -9.955 6.107 -2.634 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.784 4.285 -5.799 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.626 4.665 -4.502 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.261 4.092 -4.095 1.00 0.00 H new ATOM 986 N MET A 61 -9.916 9.256 -5.141 1.00 0.00 N ATOM 987 CA MET A 61 -11.142 9.450 -5.917 1.00 0.00 C ATOM 988 C MET A 61 -12.248 10.087 -5.074 1.00 0.00 C ATOM 989 O MET A 61 -13.434 9.922 -5.368 1.00 0.00 O ATOM 990 CB MET A 61 -11.626 8.119 -6.511 1.00 0.00 C ATOM 991 CG MET A 61 -10.638 7.489 -7.482 1.00 0.00 C ATOM 992 SD MET A 61 -11.225 5.926 -8.167 1.00 0.00 S ATOM 993 CE MET A 61 -11.372 4.937 -6.679 1.00 0.00 C ATOM 0 H MET A 61 -9.122 9.798 -5.481 1.00 0.00 H new ATOM 0 HA MET A 61 -10.906 10.134 -6.732 1.00 0.00 H new ATOM 0 HB2 MET A 61 -11.821 7.418 -5.699 1.00 0.00 H new ATOM 0 HB3 MET A 61 -12.573 8.283 -7.025 1.00 0.00 H new ATOM 0 HG2 MET A 61 -10.442 8.186 -8.297 1.00 0.00 H new ATOM 0 HG3 MET A 61 -9.690 7.322 -6.971 1.00 0.00 H new ATOM 0 HE1 MET A 61 -11.743 3.945 -6.937 1.00 0.00 H new ATOM 0 HE2 MET A 61 -10.395 4.847 -6.204 1.00 0.00 H new ATOM 0 HE3 MET A 61 -12.068 5.417 -5.990 1.00 0.00 H new ATOM 1003 N ASN A 62 -11.844 10.836 -4.046 1.00 0.00 N ATOM 1004 CA ASN A 62 -12.777 11.541 -3.160 1.00 0.00 C ATOM 1005 C ASN A 62 -13.680 10.563 -2.411 1.00 0.00 C ATOM 1006 O ASN A 62 -14.809 10.293 -2.821 1.00 0.00 O ATOM 1007 CB ASN A 62 -13.628 12.559 -3.934 1.00 0.00 C ATOM 1008 CG ASN A 62 -12.792 13.647 -4.581 1.00 0.00 C ATOM 1009 OD1 ASN A 62 -12.370 13.525 -5.731 1.00 0.00 O ATOM 1010 ND2 ASN A 62 -12.555 14.723 -3.851 1.00 0.00 N ATOM 0 H ASN A 62 -10.863 10.972 -3.803 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.175 12.082 -2.430 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -14.199 12.039 -4.703 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.349 13.015 -3.255 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -12.005 15.490 -4.237 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -12.922 14.786 -2.902 1.00 0.00 H new ATOM 1017 N THR A 63 -13.159 10.023 -1.322 1.00 0.00 N ATOM 1018 CA THR A 63 -13.874 9.030 -0.535 1.00 0.00 C ATOM 1019 C THR A 63 -13.826 9.336 0.964 1.00 0.00 C ATOM 1020 O THR A 63 -14.662 8.856 1.731 1.00 0.00 O ATOM 1021 CB THR A 63 -13.273 7.635 -0.775 1.00 0.00 C ATOM 1022 OG1 THR A 63 -11.863 7.664 -0.511 1.00 0.00 O ATOM 1023 CG2 THR A 63 -13.500 7.187 -2.207 1.00 0.00 C ATOM 0 H THR A 63 -12.235 10.258 -0.960 1.00 0.00 H new ATOM 0 HA THR A 63 -14.915 9.058 -0.857 1.00 0.00 H new ATOM 0 HB THR A 63 -13.765 6.932 -0.103 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.373 7.743 -1.356 1.00 0.00 H new ATOM 0 HG21 THR A 63 -13.066 6.198 -2.352 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.570 7.147 -2.410 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.027 7.894 -2.889 1.00 0.00 H new ATOM 1031 N GLY A 64 -12.850 10.137 1.381 1.00 0.00 N ATOM 1032 CA GLY A 64 -12.643 10.374 2.792 1.00 0.00 C ATOM 1033 C GLY A 64 -11.719 9.338 3.395 1.00 0.00 C ATOM 1034 O GLY A 64 -11.539 9.284 4.613 1.00 0.00 O ATOM 0 H GLY A 64 -12.200 10.625 0.764 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.222 11.369 2.938 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.602 10.355 3.310 1.00 0.00 H new ATOM 1038 N VAL A 65 -11.145 8.508 2.533 1.00 0.00 N ATOM 1039 CA VAL A 65 -10.211 7.475 2.953 1.00 0.00 C ATOM 1040 C VAL A 65 -8.838 7.727 2.356 1.00 0.00 C ATOM 1041 O VAL A 65 -8.699 7.947 1.149 1.00 0.00 O ATOM 1042 CB VAL A 65 -10.665 6.062 2.509 1.00 0.00 C ATOM 1043 CG1 VAL A 65 -9.672 5.009 2.968 1.00 0.00 C ATOM 1044 CG2 VAL A 65 -12.053 5.733 3.024 1.00 0.00 C ATOM 0 H VAL A 65 -11.314 8.533 1.527 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.176 7.515 4.042 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.702 6.060 1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.011 4.024 2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.694 5.217 2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.597 5.029 4.055 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.337 4.734 2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.055 5.768 4.113 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.767 6.460 2.637 1.00 0.00 H new ATOM 1054 N ASP A 66 -7.835 7.707 3.200 1.00 0.00 N ATOM 1055 CA ASP A 66 -6.461 7.705 2.756 1.00 0.00 C ATOM 1056 C ASP A 66 -5.956 6.274 2.713 1.00 0.00 C ATOM 1057 O ASP A 66 -6.082 5.524 3.688 1.00 0.00 O ATOM 1058 CB ASP A 66 -5.594 8.578 3.672 1.00 0.00 C ATOM 1059 CG ASP A 66 -5.808 8.276 5.141 1.00 0.00 C ATOM 1060 OD1 ASP A 66 -6.939 8.494 5.632 1.00 0.00 O ATOM 1061 OD2 ASP A 66 -4.852 7.839 5.812 1.00 0.00 O ATOM 0 H ASP A 66 -7.947 7.692 4.214 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.400 8.130 1.754 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.544 8.427 3.423 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.818 9.628 3.485 1.00 0.00 H new ATOM 1066 N ILE A 67 -5.434 5.877 1.567 1.00 0.00 N ATOM 1067 CA ILE A 67 -4.989 4.505 1.366 1.00 0.00 C ATOM 1068 C ILE A 67 -3.586 4.327 1.920 1.00 0.00 C ATOM 1069 O ILE A 67 -2.626 4.870 1.382 1.00 0.00 O ATOM 1070 CB ILE A 67 -5.024 4.115 -0.132 1.00 0.00 C ATOM 1071 CG1 ILE A 67 -6.453 4.208 -0.669 1.00 0.00 C ATOM 1072 CG2 ILE A 67 -4.469 2.715 -0.345 1.00 0.00 C ATOM 1073 CD1 ILE A 67 -7.436 3.306 0.052 1.00 0.00 C ATOM 0 H ILE A 67 -5.306 6.485 0.758 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.674 3.846 1.900 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.394 4.815 -0.681 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -6.795 5.240 -0.590 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.450 3.954 -1.729 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.505 2.467 -1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.436 2.676 0.002 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.067 1.997 0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.428 3.427 -0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.119 2.268 -0.049 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.469 3.574 1.108 1.00 0.00 H new ATOM 1085 N ILE A 68 -3.475 3.570 3.000 1.00 0.00 N ATOM 1086 CA ILE A 68 -2.216 3.450 3.710 1.00 0.00 C ATOM 1087 C ILE A 68 -1.683 2.025 3.702 1.00 0.00 C ATOM 1088 O ILE A 68 -2.431 1.058 3.855 1.00 0.00 O ATOM 1089 CB ILE A 68 -2.339 3.935 5.172 1.00 0.00 C ATOM 1090 CG1 ILE A 68 -3.458 3.191 5.905 1.00 0.00 C ATOM 1091 CG2 ILE A 68 -2.583 5.435 5.217 1.00 0.00 C ATOM 1092 CD1 ILE A 68 -3.582 3.576 7.361 1.00 0.00 C ATOM 0 H ILE A 68 -4.242 3.031 3.402 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.511 4.088 3.177 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.399 3.719 5.679 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.405 3.389 5.403 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.278 2.118 5.835 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.667 5.759 6.254 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.751 5.953 4.741 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.507 5.669 4.688 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.394 3.011 7.819 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.648 3.353 7.877 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.793 4.643 7.439 1.00 0.00 H new ATOM 1104 N CYS A 69 -0.384 1.904 3.505 1.00 0.00 N ATOM 1105 CA CYS A 69 0.285 0.625 3.632 1.00 0.00 C ATOM 1106 C CYS A 69 0.796 0.473 5.059 1.00 0.00 C ATOM 1107 O CYS A 69 1.192 1.454 5.691 1.00 0.00 O ATOM 1108 CB CYS A 69 1.436 0.517 2.634 1.00 0.00 C ATOM 1109 SG CYS A 69 2.376 -1.018 2.770 1.00 0.00 S ATOM 0 H CYS A 69 0.230 2.679 3.256 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.421 -0.176 3.412 1.00 0.00 H new ATOM 0 HB2 CYS A 69 1.037 0.599 1.623 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.111 1.360 2.780 1.00 0.00 H new ATOM 0 HG CYS A 69 1.619 -2.021 2.437 1.00 0.00 H new ATOM 1115 N THR A 70 0.786 -0.745 5.574 1.00 0.00 N ATOM 1116 CA THR A 70 1.123 -0.962 6.971 1.00 0.00 C ATOM 1117 C THR A 70 2.408 -1.782 7.113 1.00 0.00 C ATOM 1118 O THR A 70 2.905 -1.997 8.218 1.00 0.00 O ATOM 1119 CB THR A 70 -0.047 -1.654 7.712 1.00 0.00 C ATOM 1120 OG1 THR A 70 0.209 -1.717 9.121 1.00 0.00 O ATOM 1121 CG2 THR A 70 -0.288 -3.058 7.168 1.00 0.00 C ATOM 0 H THR A 70 0.551 -1.590 5.053 1.00 0.00 H new ATOM 0 HA THR A 70 1.296 0.013 7.427 1.00 0.00 H new ATOM 0 HB THR A 70 -0.943 -1.057 7.542 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.176 -1.717 9.278 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.115 -3.520 7.707 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.533 -3.000 6.107 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.612 -3.659 7.300 1.00 0.00 H new ATOM 1129 N LYS A 71 2.970 -2.206 5.992 1.00 0.00 N ATOM 1130 CA LYS A 71 4.225 -2.937 6.026 1.00 0.00 C ATOM 1131 C LYS A 71 5.359 -1.960 5.756 1.00 0.00 C ATOM 1132 O LYS A 71 5.170 -0.958 5.073 1.00 0.00 O ATOM 1133 CB LYS A 71 4.227 -4.071 4.996 1.00 0.00 C ATOM 1134 CG LYS A 71 5.392 -5.036 5.157 1.00 0.00 C ATOM 1135 CD LYS A 71 5.365 -6.133 4.107 1.00 0.00 C ATOM 1136 CE LYS A 71 6.490 -7.133 4.317 1.00 0.00 C ATOM 1137 NZ LYS A 71 6.322 -7.916 5.572 1.00 0.00 N ATOM 0 H LYS A 71 2.583 -2.059 5.060 1.00 0.00 H new ATOM 0 HA LYS A 71 4.356 -3.393 7.007 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.292 -4.626 5.077 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.257 -3.641 3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.331 -4.487 5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.359 -5.483 6.151 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.406 -6.650 4.144 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.451 -5.690 3.115 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.530 -7.815 3.468 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.443 -6.604 4.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.988 -8.715 5.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.512 -7.304 6.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.348 -8.277 5.628 1.00 0.00 H new ATOM 1151 N ASN A 72 6.523 -2.236 6.319 1.00 0.00 N ATOM 1152 CA ASN A 72 7.650 -1.321 6.215 1.00 0.00 C ATOM 1153 C ASN A 72 8.567 -1.747 5.085 1.00 0.00 C ATOM 1154 O ASN A 72 8.905 -2.923 4.965 1.00 0.00 O ATOM 1155 CB ASN A 72 8.441 -1.268 7.532 1.00 0.00 C ATOM 1156 CG ASN A 72 7.661 -0.662 8.691 1.00 0.00 C ATOM 1157 OD1 ASN A 72 6.354 -0.886 8.727 1.00 0.00 O flip ATOM 1158 ND2 ASN A 72 8.236 -0.007 9.560 1.00 0.00 N flip ATOM 0 H ASN A 72 6.714 -3.084 6.852 1.00 0.00 H new ATOM 0 HA ASN A 72 7.258 -0.326 6.007 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.749 -2.278 7.802 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.351 -0.689 7.376 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.243 0.146 9.501 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.706 0.383 10.339 1.00 0.00 H new ATOM 1165 N LEU A 73 8.951 -0.793 4.251 1.00 0.00 N ATOM 1166 CA LEU A 73 9.851 -1.069 3.143 1.00 0.00 C ATOM 1167 C LEU A 73 11.194 -0.393 3.385 1.00 0.00 C ATOM 1168 O LEU A 73 11.365 0.786 3.083 1.00 0.00 O ATOM 1169 CB LEU A 73 9.257 -0.598 1.807 1.00 0.00 C ATOM 1170 CG LEU A 73 7.934 -1.253 1.391 1.00 0.00 C ATOM 1171 CD1 LEU A 73 6.755 -0.616 2.113 1.00 0.00 C ATOM 1172 CD2 LEU A 73 7.751 -1.156 -0.114 1.00 0.00 C ATOM 0 H LEU A 73 8.653 0.180 4.321 1.00 0.00 H new ATOM 0 HA LEU A 73 9.993 -2.148 3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.105 0.480 1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.991 -0.778 1.022 1.00 0.00 H new ATOM 0 HG LEU A 73 7.971 -2.305 1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.831 -1.101 1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.879 -0.736 3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.709 0.445 1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.808 -1.624 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.739 -0.108 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.574 -1.666 -0.614 1.00 0.00 H new ATOM 1184 N PRO A 74 12.154 -1.121 3.969 1.00 0.00 N ATOM 1185 CA PRO A 74 13.459 -0.579 4.301 1.00 0.00 C ATOM 1186 C PRO A 74 14.492 -0.786 3.193 1.00 0.00 C ATOM 1187 O PRO A 74 14.556 -1.850 2.570 1.00 0.00 O ATOM 1188 CB PRO A 74 13.830 -1.383 5.545 1.00 0.00 C ATOM 1189 CG PRO A 74 13.161 -2.713 5.372 1.00 0.00 C ATOM 1190 CD PRO A 74 12.039 -2.531 4.373 1.00 0.00 C ATOM 0 HA PRO A 74 13.439 0.501 4.446 1.00 0.00 H new ATOM 0 HB2 PRO A 74 14.911 -1.495 5.633 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.486 -0.885 6.452 1.00 0.00 H new ATOM 0 HG2 PRO A 74 13.874 -3.457 5.017 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.772 -3.073 6.324 1.00 0.00 H new ATOM 0 HD2 PRO A 74 12.149 -3.202 3.521 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.067 -2.741 4.820 1.00 0.00 H new ATOM 1198 N LYS A 75 15.289 0.243 2.936 1.00 0.00 N ATOM 1199 CA LYS A 75 16.416 0.127 2.025 1.00 0.00 C ATOM 1200 C LYS A 75 17.587 0.947 2.552 1.00 0.00 C ATOM 1201 O LYS A 75 17.522 2.177 2.593 1.00 0.00 O ATOM 1202 CB LYS A 75 16.061 0.600 0.613 1.00 0.00 C ATOM 1203 CG LYS A 75 17.148 0.269 -0.400 1.00 0.00 C ATOM 1204 CD LYS A 75 17.055 1.124 -1.652 1.00 0.00 C ATOM 1205 CE LYS A 75 17.242 2.599 -1.338 1.00 0.00 C ATOM 1206 NZ LYS A 75 17.715 3.360 -2.523 1.00 0.00 N ATOM 0 H LYS A 75 15.174 1.169 3.348 1.00 0.00 H new ATOM 0 HA LYS A 75 16.687 -0.927 1.968 1.00 0.00 H new ATOM 0 HB2 LYS A 75 15.125 0.136 0.302 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.895 1.677 0.625 1.00 0.00 H new ATOM 0 HG2 LYS A 75 18.125 0.411 0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 75 17.075 -0.783 -0.676 1.00 0.00 H new ATOM 0 HD2 LYS A 75 17.812 0.805 -2.368 1.00 0.00 H new ATOM 0 HD3 LYS A 75 16.085 0.972 -2.125 1.00 0.00 H new ATOM 0 HE2 LYS A 75 16.298 3.019 -0.989 1.00 0.00 H new ATOM 0 HE3 LYS A 75 17.960 2.709 -0.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 17.528 4.373 -2.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 18.737 3.211 -2.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 17.212 3.030 -3.371 1.00 0.00 H new ATOM 1220 N ASP A 76 18.646 0.268 2.961 1.00 0.00 N ATOM 1221 CA ASP A 76 19.828 0.936 3.493 1.00 0.00 C ATOM 1222 C ASP A 76 21.063 0.501 2.718 1.00 0.00 C ATOM 1223 O ASP A 76 21.381 -0.689 2.662 1.00 0.00 O ATOM 1224 CB ASP A 76 20.015 0.625 4.985 1.00 0.00 C ATOM 1225 CG ASP A 76 18.997 1.315 5.874 1.00 0.00 C ATOM 1226 OD1 ASP A 76 17.899 0.751 6.089 1.00 0.00 O ATOM 1227 OD2 ASP A 76 19.298 2.412 6.390 1.00 0.00 O ATOM 0 H ASP A 76 18.714 -0.749 2.936 1.00 0.00 H new ATOM 0 HA ASP A 76 19.688 2.011 3.382 1.00 0.00 H new ATOM 0 HB2 ASP A 76 19.948 -0.452 5.136 1.00 0.00 H new ATOM 0 HB3 ASP A 76 21.017 0.927 5.289 1.00 0.00 H new ATOM 1232 N SER A 77 21.753 1.455 2.110 1.00 0.00 N ATOM 1233 CA SER A 77 22.919 1.137 1.302 1.00 0.00 C ATOM 1234 C SER A 77 23.977 2.233 1.366 1.00 0.00 C ATOM 1235 O SER A 77 23.748 3.361 0.930 1.00 0.00 O ATOM 1236 CB SER A 77 22.494 0.894 -0.152 1.00 0.00 C ATOM 1237 OG SER A 77 21.616 1.911 -0.613 1.00 0.00 O ATOM 0 H SER A 77 21.527 2.448 2.161 1.00 0.00 H new ATOM 0 HA SER A 77 23.367 0.231 1.709 1.00 0.00 H new ATOM 0 HB2 SER A 77 23.377 0.858 -0.789 1.00 0.00 H new ATOM 0 HB3 SER A 77 22.003 -0.076 -0.232 1.00 0.00 H new ATOM 0 HG SER A 77 21.938 2.785 -0.307 1.00 0.00 H new ATOM 1243 N LEU A 78 25.132 1.899 1.931 1.00 0.00 N ATOM 1244 CA LEU A 78 26.294 2.776 1.863 1.00 0.00 C ATOM 1245 C LEU A 78 26.900 2.641 0.474 1.00 0.00 C ATOM 1246 O LEU A 78 27.532 1.633 0.164 1.00 0.00 O ATOM 1247 CB LEU A 78 27.337 2.421 2.936 1.00 0.00 C ATOM 1248 CG LEU A 78 26.924 2.680 4.394 1.00 0.00 C ATOM 1249 CD1 LEU A 78 25.873 1.683 4.862 1.00 0.00 C ATOM 1250 CD2 LEU A 78 28.142 2.633 5.305 1.00 0.00 C ATOM 0 H LEU A 78 25.288 1.029 2.440 1.00 0.00 H new ATOM 0 HA LEU A 78 25.983 3.804 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 78 27.589 1.365 2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 78 28.246 2.987 2.731 1.00 0.00 H new ATOM 0 HG LEU A 78 26.483 3.675 4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 78 25.605 1.896 5.897 1.00 0.00 H new ATOM 0 HD12 LEU A 78 24.987 1.766 4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 78 26.274 0.672 4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 78 27.834 2.818 6.334 1.00 0.00 H new ATOM 0 HD22 LEU A 78 28.609 1.651 5.237 1.00 0.00 H new ATOM 0 HD23 LEU A 78 28.856 3.397 4.997 1.00 0.00 H new ATOM 1262 N GLU A 79 26.688 3.646 -0.361 1.00 0.00 N ATOM 1263 CA GLU A 79 26.927 3.502 -1.790 1.00 0.00 C ATOM 1264 C GLU A 79 28.388 3.765 -2.173 1.00 0.00 C ATOM 1265 O GLU A 79 28.749 4.863 -2.594 1.00 0.00 O ATOM 1266 CB GLU A 79 25.975 4.414 -2.565 1.00 0.00 C ATOM 1267 CG GLU A 79 25.713 3.958 -3.991 1.00 0.00 C ATOM 1268 CD GLU A 79 24.548 4.691 -4.623 1.00 0.00 C ATOM 1269 OE1 GLU A 79 23.393 4.255 -4.430 1.00 0.00 O ATOM 1270 OE2 GLU A 79 24.781 5.706 -5.314 1.00 0.00 O ATOM 0 H GLU A 79 26.353 4.566 -0.077 1.00 0.00 H new ATOM 0 HA GLU A 79 26.728 2.465 -2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 79 25.026 4.470 -2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 79 26.389 5.422 -2.586 1.00 0.00 H new ATOM 0 HG2 GLU A 79 26.609 4.117 -4.592 1.00 0.00 H new ATOM 0 HG3 GLU A 79 25.512 2.887 -3.997 1.00 0.00 H new ATOM 1277 N HIS A 80 29.219 2.740 -1.974 1.00 0.00 N ATOM 1278 CA HIS A 80 30.590 2.690 -2.502 1.00 0.00 C ATOM 1279 C HIS A 80 31.482 3.845 -2.051 1.00 0.00 C ATOM 1280 O HIS A 80 32.455 4.168 -2.727 1.00 0.00 O ATOM 1281 CB HIS A 80 30.566 2.636 -4.033 1.00 0.00 C ATOM 1282 CG HIS A 80 30.167 1.303 -4.582 1.00 0.00 C ATOM 1283 ND1 HIS A 80 31.079 0.377 -5.041 1.00 0.00 N ATOM 1284 CD2 HIS A 80 28.948 0.735 -4.742 1.00 0.00 C ATOM 1285 CE1 HIS A 80 30.440 -0.699 -5.460 1.00 0.00 C ATOM 1286 NE2 HIS A 80 29.148 -0.507 -5.288 1.00 0.00 N ATOM 0 H HIS A 80 28.960 1.912 -1.437 1.00 0.00 H new ATOM 0 HA HIS A 80 31.028 1.782 -2.087 1.00 0.00 H new ATOM 0 HB2 HIS A 80 29.875 3.393 -4.404 1.00 0.00 H new ATOM 0 HB3 HIS A 80 31.555 2.894 -4.412 1.00 0.00 H new ATOM 0 HD2 HIS A 80 27.996 1.177 -4.487 1.00 0.00 H new ATOM 0 HE1 HIS A 80 30.898 -1.585 -5.873 1.00 0.00 H new ATOM 0 HE2 HIS A 80 28.414 -1.175 -5.523 1.00 0.00 H new ATOM 1295 N HIS A 81 31.202 4.434 -0.897 1.00 0.00 N ATOM 1296 CA HIS A 81 32.053 5.511 -0.384 1.00 0.00 C ATOM 1297 C HIS A 81 33.194 4.932 0.462 1.00 0.00 C ATOM 1298 O HIS A 81 33.705 5.575 1.376 1.00 0.00 O ATOM 1299 CB HIS A 81 31.225 6.527 0.422 1.00 0.00 C ATOM 1300 CG HIS A 81 31.998 7.757 0.824 1.00 0.00 C ATOM 1301 ND1 HIS A 81 32.488 8.673 -0.083 1.00 0.00 N ATOM 1302 CD2 HIS A 81 32.397 8.197 2.044 1.00 0.00 C ATOM 1303 CE1 HIS A 81 33.154 9.613 0.559 1.00 0.00 C ATOM 1304 NE2 HIS A 81 33.116 9.350 1.850 1.00 0.00 N ATOM 0 H HIS A 81 30.408 4.194 -0.303 1.00 0.00 H new ATOM 0 HA HIS A 81 32.491 6.039 -1.231 1.00 0.00 H new ATOM 0 HB2 HIS A 81 30.361 6.829 -0.170 1.00 0.00 H new ATOM 0 HB3 HIS A 81 30.842 6.040 1.319 1.00 0.00 H new ATOM 0 HD2 HIS A 81 32.187 7.726 2.993 1.00 0.00 H new ATOM 0 HE1 HIS A 81 33.648 10.458 0.103 1.00 0.00 H new ATOM 0 HE2 HIS A 81 33.549 9.911 2.584 1.00 0.00 H new ATOM 1313 N HIS A 82 33.600 3.712 0.144 1.00 0.00 N ATOM 1314 CA HIS A 82 34.726 3.092 0.824 1.00 0.00 C ATOM 1315 C HIS A 82 35.261 1.930 -0.002 1.00 0.00 C ATOM 1316 O HIS A 82 34.728 0.821 0.041 1.00 0.00 O ATOM 1317 CB HIS A 82 34.329 2.616 2.224 1.00 0.00 C ATOM 1318 CG HIS A 82 35.502 2.408 3.132 1.00 0.00 C ATOM 1319 ND1 HIS A 82 36.019 1.167 3.430 1.00 0.00 N ATOM 1320 CD2 HIS A 82 36.255 3.302 3.817 1.00 0.00 C ATOM 1321 CE1 HIS A 82 37.037 1.304 4.258 1.00 0.00 C ATOM 1322 NE2 HIS A 82 37.203 2.588 4.511 1.00 0.00 N ATOM 0 H HIS A 82 33.169 3.134 -0.577 1.00 0.00 H new ATOM 0 HA HIS A 82 35.512 3.839 0.934 1.00 0.00 H new ATOM 0 HB2 HIS A 82 33.656 3.347 2.672 1.00 0.00 H new ATOM 0 HB3 HIS A 82 33.774 1.682 2.139 1.00 0.00 H new ATOM 0 HD2 HIS A 82 36.133 4.375 3.818 1.00 0.00 H new ATOM 0 HE1 HIS A 82 37.634 0.500 4.661 1.00 0.00 H new ATOM 0 HE2 HIS A 82 37.917 2.986 5.121 1.00 0.00 H new ATOM 1331 N HIS A 83 36.302 2.212 -0.770 1.00 0.00 N ATOM 1332 CA HIS A 83 36.941 1.219 -1.628 1.00 0.00 C ATOM 1333 C HIS A 83 38.216 1.820 -2.194 1.00 0.00 C ATOM 1334 O HIS A 83 39.306 1.277 -2.026 1.00 0.00 O ATOM 1335 CB HIS A 83 36.006 0.790 -2.767 1.00 0.00 C ATOM 1336 CG HIS A 83 36.457 -0.444 -3.495 1.00 0.00 C ATOM 1337 ND1 HIS A 83 35.921 -1.689 -3.253 1.00 0.00 N ATOM 1338 CD2 HIS A 83 37.384 -0.619 -4.469 1.00 0.00 C ATOM 1339 CE1 HIS A 83 36.496 -2.577 -4.040 1.00 0.00 C ATOM 1340 NE2 HIS A 83 37.385 -1.954 -4.789 1.00 0.00 N ATOM 0 H HIS A 83 36.730 3.136 -0.818 1.00 0.00 H new ATOM 0 HA HIS A 83 37.173 0.331 -1.040 1.00 0.00 H new ATOM 0 HB2 HIS A 83 35.010 0.616 -2.360 1.00 0.00 H new ATOM 0 HB3 HIS A 83 35.920 1.609 -3.481 1.00 0.00 H new ATOM 0 HD2 HIS A 83 38.004 0.147 -4.910 1.00 0.00 H new ATOM 0 HE1 HIS A 83 36.276 -3.634 -4.067 1.00 0.00 H new ATOM 0 HE2 HIS A 83 37.978 -2.393 -5.493 1.00 0.00 H new ATOM 1349 N HIS A 84 38.071 2.961 -2.854 1.00 0.00 N ATOM 1350 CA HIS A 84 39.216 3.746 -3.282 1.00 0.00 C ATOM 1351 C HIS A 84 39.600 4.691 -2.148 1.00 0.00 C ATOM 1352 O HIS A 84 39.670 5.908 -2.326 1.00 0.00 O ATOM 1353 CB HIS A 84 38.884 4.532 -4.557 1.00 0.00 C ATOM 1354 CG HIS A 84 40.071 5.198 -5.185 1.00 0.00 C ATOM 1355 ND1 HIS A 84 40.227 6.566 -5.246 1.00 0.00 N ATOM 1356 CD2 HIS A 84 41.160 4.670 -5.789 1.00 0.00 C ATOM 1357 CE1 HIS A 84 41.359 6.849 -5.862 1.00 0.00 C ATOM 1358 NE2 HIS A 84 41.944 5.717 -6.201 1.00 0.00 N ATOM 0 H HIS A 84 37.168 3.363 -3.104 1.00 0.00 H new ATOM 0 HA HIS A 84 40.054 3.088 -3.512 1.00 0.00 H new ATOM 0 HB2 HIS A 84 38.433 3.855 -5.283 1.00 0.00 H new ATOM 0 HB3 HIS A 84 38.137 5.290 -4.321 1.00 0.00 H new ATOM 0 HD2 HIS A 84 41.373 3.620 -5.922 1.00 0.00 H new ATOM 0 HE1 HIS A 84 41.742 7.840 -6.056 1.00 0.00 H new ATOM 0 HE2 HIS A 84 42.835 5.634 -6.690 1.00 0.00 H new ATOM 1367 N HIS A 85 39.844 4.094 -0.982 1.00 0.00 N ATOM 1368 CA HIS A 85 40.074 4.829 0.259 1.00 0.00 C ATOM 1369 C HIS A 85 38.798 5.565 0.668 1.00 0.00 C ATOM 1370 O HIS A 85 38.798 6.814 0.697 1.00 0.00 O ATOM 1371 CB HIS A 85 41.254 5.803 0.114 1.00 0.00 C ATOM 1372 CG HIS A 85 41.633 6.494 1.386 1.00 0.00 C ATOM 1373 ND1 HIS A 85 41.724 7.862 1.498 1.00 0.00 N ATOM 1374 CD2 HIS A 85 41.959 5.995 2.600 1.00 0.00 C ATOM 1375 CE1 HIS A 85 42.092 8.175 2.724 1.00 0.00 C ATOM 1376 NE2 HIS A 85 42.245 7.060 3.417 1.00 0.00 N ATOM 1377 OXT HIS A 85 37.791 4.876 0.942 1.00 0.00 O ATOM 0 H HIS A 85 39.888 3.081 -0.872 1.00 0.00 H new ATOM 0 HA HIS A 85 40.334 4.119 1.044 1.00 0.00 H new ATOM 0 HB2 HIS A 85 42.119 5.256 -0.262 1.00 0.00 H new ATOM 0 HB3 HIS A 85 41.002 6.554 -0.634 1.00 0.00 H new ATOM 0 HD2 HIS A 85 41.989 4.951 2.876 1.00 0.00 H new ATOM 0 HE1 HIS A 85 42.243 9.176 3.100 1.00 0.00 H new ATOM 0 HE2 HIS A 85 42.528 7.001 4.395 1.00 0.00 H new TER 1386 HIS A 85