USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 926 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 25 TYR OH : rot -146:sc= 1.14 USER MOD Set 1.2: A 48 HIS : no HD1:sc= -1.8 K(o=-0.66,f=-6.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -105:sc= 0.411 USER MOD Single : A 13 LYS NZ :NH3+ -136:sc= 1.25 (180deg=0.0481) USER MOD Single : A 16 THR OG1 : rot 81:sc= 0.0388 USER MOD Single : A 18 CYS SG : rot -135:sc= -0.1 USER MOD Single : A 19 GLN : amide:sc= -0.312 K(o=-0.31,f=-2.1!) USER MOD Single : A 20 GLN : amide:sc= -0.115 K(o=-0.11,f=-2!) USER MOD Single : A 21 GLN :FLIP amide:sc= -3.51! C(o=-4.1!,f=-3.5!) USER MOD Single : A 22 THR OG1 : rot -104:sc= 0.34 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0943 X(o=-0.094,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.47 K(o=-0.47,f=-1.9) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc=-0.00969 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0574 USER MOD Single : A 36 SER OG : rot -70:sc= 0.46 USER MOD Single : A 39 SER OG : rot 122:sc= 0.0176 USER MOD Single : A 44 CYS SG : rot 180:sc= -1.45 USER MOD Single : A 56 ASN : amide:sc= -0.111 K(o=-0.11,f=-0.8) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -9.05! C(o=-9!,f=-21!) USER MOD Single : A 68 ASN : amide:sc= -1.06! K(o=-1.1!,f=-3.2) USER MOD Single : A 69 ASN : amide:sc= -0.476 K(o=-0.48,f=-1) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.71 F(o=-1.3,f=-0.71) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.00073 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 166:sc= -3.23 (180deg=-3.5) USER MOD Single : A 93 SER OG : rot 94:sc= 0.00248 USER MOD Single : A 95 GLN : amide:sc= -0.0422 X(o=-0.042,f=0) USER MOD Single : A 99 LYS NZ :NH3+ -148:sc= -0.31 (180deg=-1.71!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 162:sc= -2.22! (180deg=-3.18!) USER MOD Single : A 104 MET CE :methyl 139:sc= -0.0637 (180deg=-0.603) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= -0.215 USER MOD Single : A 108 LYS NZ :NH3+ 154:sc= -0.525 (180deg=-1.87!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= -1 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.348 -9.278 4.216 1.00 0.00 N ATOM 2 CA GLY A 1 -19.505 -9.784 5.567 1.00 0.00 C ATOM 3 C GLY A 1 -20.288 -11.082 5.613 1.00 0.00 C ATOM 4 O GLY A 1 -21.260 -11.203 6.358 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.807 -8.390 4.238 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.840 -9.979 3.640 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.285 -9.102 3.800 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.521 -9.941 6.010 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.013 -9.035 6.175 1.00 0.00 H new ATOM 8 N SER A 2 -19.865 -12.055 4.812 1.00 0.00 N ATOM 9 CA SER A 2 -20.536 -13.348 4.759 1.00 0.00 C ATOM 10 C SER A 2 -19.885 -14.338 5.720 1.00 0.00 C ATOM 11 O SER A 2 -18.703 -14.659 5.591 1.00 0.00 O ATOM 12 CB SER A 2 -20.504 -13.906 3.335 1.00 0.00 C ATOM 13 OG SER A 2 -21.610 -13.442 2.580 1.00 0.00 O ATOM 0 H SER A 2 -19.060 -11.972 4.191 1.00 0.00 H new ATOM 0 HA SER A 2 -21.573 -13.203 5.061 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.576 -13.610 2.846 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.514 -14.995 3.368 1.00 0.00 H new ATOM 0 HG SER A 2 -21.565 -13.811 1.673 1.00 0.00 H new ATOM 19 N SER A 3 -20.664 -14.817 6.684 1.00 0.00 N ATOM 20 CA SER A 3 -20.163 -15.768 7.670 1.00 0.00 C ATOM 21 C SER A 3 -20.090 -17.174 7.082 1.00 0.00 C ATOM 22 O SER A 3 -21.097 -17.876 6.998 1.00 0.00 O ATOM 23 CB SER A 3 -21.058 -15.767 8.911 1.00 0.00 C ATOM 24 OG SER A 3 -20.761 -14.668 9.753 1.00 0.00 O ATOM 0 H SER A 3 -21.644 -14.562 6.804 1.00 0.00 H new ATOM 0 HA SER A 3 -19.157 -15.461 7.956 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.104 -15.725 8.608 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.923 -16.698 9.462 1.00 0.00 H new ATOM 0 HG SER A 3 -21.348 -14.689 10.538 1.00 0.00 H new ATOM 30 N GLY A 4 -18.891 -17.577 6.674 1.00 0.00 N ATOM 31 CA GLY A 4 -18.708 -18.896 6.098 1.00 0.00 C ATOM 32 C GLY A 4 -18.227 -18.840 4.662 1.00 0.00 C ATOM 33 O GLY A 4 -18.822 -19.454 3.776 1.00 0.00 O ATOM 0 H GLY A 4 -18.043 -17.013 6.732 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.989 -19.454 6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.650 -19.442 6.141 1.00 0.00 H new ATOM 37 N SER A 5 -17.146 -18.102 4.429 1.00 0.00 N ATOM 38 CA SER A 5 -16.589 -17.963 3.089 1.00 0.00 C ATOM 39 C SER A 5 -15.332 -18.815 2.933 1.00 0.00 C ATOM 40 O SER A 5 -14.528 -18.930 3.858 1.00 0.00 O ATOM 41 CB SER A 5 -16.264 -16.497 2.798 1.00 0.00 C ATOM 42 OG SER A 5 -17.433 -15.774 2.455 1.00 0.00 O ATOM 0 H SER A 5 -16.639 -17.591 5.151 1.00 0.00 H new ATOM 0 HA SER A 5 -17.335 -18.311 2.374 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.796 -16.044 3.672 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.543 -16.436 1.983 1.00 0.00 H new ATOM 0 HG SER A 5 -17.199 -14.840 2.275 1.00 0.00 H new ATOM 48 N SER A 6 -15.171 -19.410 1.755 1.00 0.00 N ATOM 49 CA SER A 6 -14.016 -20.255 1.477 1.00 0.00 C ATOM 50 C SER A 6 -12.978 -19.502 0.651 1.00 0.00 C ATOM 51 O SER A 6 -13.321 -18.749 -0.261 1.00 0.00 O ATOM 52 CB SER A 6 -14.450 -21.523 0.739 1.00 0.00 C ATOM 53 OG SER A 6 -15.473 -22.200 1.448 1.00 0.00 O ATOM 0 H SER A 6 -15.826 -19.322 0.978 1.00 0.00 H new ATOM 0 HA SER A 6 -13.564 -20.534 2.429 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.805 -21.264 -0.259 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.593 -22.184 0.611 1.00 0.00 H new ATOM 0 HG SER A 6 -15.734 -23.006 0.955 1.00 0.00 H new ATOM 59 N GLY A 7 -11.706 -19.710 0.976 1.00 0.00 N ATOM 60 CA GLY A 7 -10.637 -19.044 0.255 1.00 0.00 C ATOM 61 C GLY A 7 -9.831 -18.115 1.142 1.00 0.00 C ATOM 62 O GLY A 7 -9.626 -18.395 2.323 1.00 0.00 O ATOM 0 H GLY A 7 -11.396 -20.328 1.726 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.974 -19.793 -0.179 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.060 -18.475 -0.572 1.00 0.00 H new ATOM 66 N ASP A 8 -9.371 -17.007 0.571 1.00 0.00 N ATOM 67 CA ASP A 8 -8.582 -16.033 1.317 1.00 0.00 C ATOM 68 C ASP A 8 -8.855 -14.617 0.819 1.00 0.00 C ATOM 69 O ASP A 8 -8.929 -14.376 -0.386 1.00 0.00 O ATOM 70 CB ASP A 8 -7.091 -16.352 1.195 1.00 0.00 C ATOM 71 CG ASP A 8 -6.214 -15.193 1.624 1.00 0.00 C ATOM 72 OD1 ASP A 8 -6.435 -14.660 2.732 1.00 0.00 O ATOM 73 OD2 ASP A 8 -5.306 -14.819 0.853 1.00 0.00 O ATOM 0 H ASP A 8 -9.531 -16.761 -0.406 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.873 -16.092 2.366 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.858 -17.225 1.805 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.862 -16.614 0.162 1.00 0.00 H new ATOM 78 N ILE A 9 -9.003 -13.685 1.755 1.00 0.00 N ATOM 79 CA ILE A 9 -9.267 -12.294 1.411 1.00 0.00 C ATOM 80 C ILE A 9 -8.000 -11.597 0.926 1.00 0.00 C ATOM 81 O ILE A 9 -7.040 -11.437 1.681 1.00 0.00 O ATOM 82 CB ILE A 9 -9.840 -11.516 2.610 1.00 0.00 C ATOM 83 CG1 ILE A 9 -11.212 -12.072 2.998 1.00 0.00 C ATOM 84 CG2 ILE A 9 -9.936 -10.034 2.284 1.00 0.00 C ATOM 85 CD1 ILE A 9 -11.714 -11.567 4.332 1.00 0.00 C ATOM 0 H ILE A 9 -8.945 -13.868 2.757 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.004 -12.303 0.608 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.166 -11.638 3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.933 -11.809 2.224 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.159 -13.160 3.027 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.343 -9.498 3.142 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.944 -9.647 2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.591 -9.892 1.424 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.691 -12.002 4.542 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.013 -11.853 5.116 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.800 -10.481 4.301 1.00 0.00 H new ATOM 97 N ARG A 10 -8.005 -11.183 -0.337 1.00 0.00 N ATOM 98 CA ARG A 10 -6.856 -10.503 -0.922 1.00 0.00 C ATOM 99 C ARG A 10 -6.704 -9.098 -0.345 1.00 0.00 C ATOM 100 O ARG A 10 -5.675 -8.746 0.233 1.00 0.00 O ATOM 101 CB ARG A 10 -7.002 -10.427 -2.443 1.00 0.00 C ATOM 102 CG ARG A 10 -6.331 -11.577 -3.177 1.00 0.00 C ATOM 103 CD ARG A 10 -6.429 -11.408 -4.685 1.00 0.00 C ATOM 104 NE ARG A 10 -7.815 -11.324 -5.137 1.00 0.00 N ATOM 105 CZ ARG A 10 -8.165 -11.194 -6.412 1.00 0.00 C ATOM 106 NH1 ARG A 10 -7.236 -11.134 -7.355 1.00 0.00 N ATOM 107 NH2 ARG A 10 -9.448 -11.124 -6.745 1.00 0.00 N ATOM 0 H ARG A 10 -8.792 -11.307 -0.974 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.962 -11.077 -0.677 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.062 -10.413 -2.698 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.578 -9.486 -2.794 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.283 -11.635 -2.884 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.797 -12.518 -2.884 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.895 -10.506 -4.984 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.938 -12.248 -5.177 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.555 -11.367 -4.436 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.249 -11.188 -7.103 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.508 -11.034 -8.333 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.166 -11.170 -6.022 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.716 -11.024 -7.724 1.00 0.00 H new ATOM 121 N PRO A 11 -7.751 -8.276 -0.504 1.00 0.00 N ATOM 122 CA PRO A 11 -7.758 -6.897 -0.006 1.00 0.00 C ATOM 123 C PRO A 11 -7.813 -6.831 1.516 1.00 0.00 C ATOM 124 O PRO A 11 -8.116 -5.786 2.091 1.00 0.00 O ATOM 125 CB PRO A 11 -9.033 -6.307 -0.614 1.00 0.00 C ATOM 126 CG PRO A 11 -9.921 -7.481 -0.846 1.00 0.00 C ATOM 127 CD PRO A 11 -9.010 -8.629 -1.183 1.00 0.00 C ATOM 0 HA PRO A 11 -6.850 -6.359 -0.281 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.497 -5.587 0.060 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.821 -5.781 -1.545 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.516 -7.702 0.040 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.621 -7.286 -1.659 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.409 -9.577 -0.823 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.872 -8.730 -2.259 1.00 0.00 H new ATOM 135 N SER A 12 -7.519 -7.954 2.164 1.00 0.00 N ATOM 136 CA SER A 12 -7.538 -8.024 3.620 1.00 0.00 C ATOM 137 C SER A 12 -6.565 -7.017 4.226 1.00 0.00 C ATOM 138 O SER A 12 -6.970 -6.081 4.915 1.00 0.00 O ATOM 139 CB SER A 12 -7.184 -9.437 4.089 1.00 0.00 C ATOM 140 OG SER A 12 -5.875 -9.796 3.684 1.00 0.00 O ATOM 0 H SER A 12 -7.265 -8.828 1.703 1.00 0.00 H new ATOM 0 HA SER A 12 -8.545 -7.778 3.957 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.260 -9.493 5.175 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.902 -10.149 3.682 1.00 0.00 H new ATOM 0 HG SER A 12 -5.925 -10.421 2.931 1.00 0.00 H new ATOM 146 N LYS A 13 -5.278 -7.216 3.963 1.00 0.00 N ATOM 147 CA LYS A 13 -4.244 -6.326 4.479 1.00 0.00 C ATOM 148 C LYS A 13 -4.582 -4.869 4.180 1.00 0.00 C ATOM 149 O LYS A 13 -4.635 -4.035 5.085 1.00 0.00 O ATOM 150 CB LYS A 13 -2.886 -6.681 3.871 1.00 0.00 C ATOM 151 CG LYS A 13 -2.927 -6.877 2.365 1.00 0.00 C ATOM 152 CD LYS A 13 -1.912 -7.912 1.909 1.00 0.00 C ATOM 153 CE LYS A 13 -2.319 -8.549 0.589 1.00 0.00 C ATOM 154 NZ LYS A 13 -3.157 -9.762 0.794 1.00 0.00 N ATOM 0 H LYS A 13 -4.926 -7.986 3.395 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.195 -6.455 5.560 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.174 -5.890 4.107 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.516 -7.594 4.338 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.927 -7.190 2.065 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.728 -5.927 1.868 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.935 -7.442 1.801 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.811 -8.685 2.671 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.870 -7.824 -0.010 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.426 -8.816 0.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.835 -10.518 0.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.071 -10.081 1.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.151 -9.536 0.589 1.00 0.00 H new ATOM 168 N LEU A 14 -4.811 -4.569 2.907 1.00 0.00 N ATOM 169 CA LEU A 14 -5.146 -3.212 2.489 1.00 0.00 C ATOM 170 C LEU A 14 -6.180 -2.593 3.424 1.00 0.00 C ATOM 171 O LEU A 14 -5.949 -1.533 4.007 1.00 0.00 O ATOM 172 CB LEU A 14 -5.676 -3.215 1.054 1.00 0.00 C ATOM 173 CG LEU A 14 -6.291 -1.904 0.563 1.00 0.00 C ATOM 174 CD1 LEU A 14 -5.230 -0.818 0.474 1.00 0.00 C ATOM 175 CD2 LEU A 14 -6.966 -2.104 -0.786 1.00 0.00 C ATOM 0 H LEU A 14 -4.771 -5.247 2.146 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.238 -2.611 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.857 -3.481 0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.427 -4.000 0.967 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.047 -1.588 1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.686 0.108 0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.792 -0.656 1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.451 -1.126 -0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.398 -1.161 -1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.230 -2.444 -1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.754 -2.851 -0.691 1.00 0.00 H new ATOM 187 N LEU A 15 -7.318 -3.263 3.564 1.00 0.00 N ATOM 188 CA LEU A 15 -8.388 -2.780 4.431 1.00 0.00 C ATOM 189 C LEU A 15 -7.850 -2.423 5.812 1.00 0.00 C ATOM 190 O LEU A 15 -8.075 -1.321 6.313 1.00 0.00 O ATOM 191 CB LEU A 15 -9.486 -3.838 4.556 1.00 0.00 C ATOM 192 CG LEU A 15 -10.585 -3.546 5.578 1.00 0.00 C ATOM 193 CD1 LEU A 15 -11.535 -2.481 5.052 1.00 0.00 C ATOM 194 CD2 LEU A 15 -11.345 -4.819 5.921 1.00 0.00 C ATOM 0 H LEU A 15 -7.524 -4.142 3.089 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.808 -1.880 3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.951 -3.967 3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.019 -4.788 4.815 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.118 -3.169 6.488 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.310 -2.287 5.793 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.981 -1.563 4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.996 -2.829 4.128 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.123 -4.593 6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.800 -5.225 5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.656 -5.552 6.341 1.00 0.00 H new ATOM 206 N THR A 16 -7.135 -3.362 6.424 1.00 0.00 N ATOM 207 CA THR A 16 -6.563 -3.147 7.748 1.00 0.00 C ATOM 208 C THR A 16 -6.023 -1.729 7.889 1.00 0.00 C ATOM 209 O THR A 16 -6.476 -0.964 8.740 1.00 0.00 O ATOM 210 CB THR A 16 -5.430 -4.148 8.039 1.00 0.00 C ATOM 211 OG1 THR A 16 -5.896 -5.488 7.844 1.00 0.00 O ATOM 212 CG2 THR A 16 -4.918 -3.986 9.463 1.00 0.00 C ATOM 0 H THR A 16 -6.938 -4.279 6.024 1.00 0.00 H new ATOM 0 HA THR A 16 -7.366 -3.300 8.469 1.00 0.00 H new ATOM 0 HB THR A 16 -4.611 -3.946 7.349 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.880 -5.704 6.888 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.118 -4.703 9.646 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.536 -2.974 9.599 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.733 -4.164 10.165 1.00 0.00 H new ATOM 220 N TRP A 17 -5.053 -1.384 7.050 1.00 0.00 N ATOM 221 CA TRP A 17 -4.451 -0.056 7.082 1.00 0.00 C ATOM 222 C TRP A 17 -5.521 1.028 7.025 1.00 0.00 C ATOM 223 O TRP A 17 -5.655 1.830 7.951 1.00 0.00 O ATOM 224 CB TRP A 17 -3.475 0.112 5.916 1.00 0.00 C ATOM 225 CG TRP A 17 -2.801 1.450 5.894 1.00 0.00 C ATOM 226 CD1 TRP A 17 -1.874 1.915 6.782 1.00 0.00 C ATOM 227 CD2 TRP A 17 -3.003 2.496 4.937 1.00 0.00 C ATOM 228 NE1 TRP A 17 -1.487 3.187 6.436 1.00 0.00 N ATOM 229 CE2 TRP A 17 -2.164 3.566 5.307 1.00 0.00 C ATOM 230 CE3 TRP A 17 -3.808 2.632 3.804 1.00 0.00 C ATOM 231 CZ2 TRP A 17 -2.112 4.754 4.583 1.00 0.00 C ATOM 232 CZ3 TRP A 17 -3.755 3.812 3.086 1.00 0.00 C ATOM 233 CH2 TRP A 17 -2.911 4.860 3.478 1.00 0.00 C ATOM 0 H TRP A 17 -4.667 -2.005 6.339 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.906 0.046 8.021 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.716 -0.668 5.972 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.012 -0.032 4.978 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -1.500 1.364 7.632 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -0.806 3.757 6.938 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.461 1.829 3.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -1.463 5.564 4.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -4.374 3.928 2.209 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -2.891 5.769 2.896 1.00 0.00 H new ATOM 244 N CYS A 18 -6.281 1.047 5.936 1.00 0.00 N ATOM 245 CA CYS A 18 -7.340 2.035 5.759 1.00 0.00 C ATOM 246 C CYS A 18 -8.168 2.178 7.032 1.00 0.00 C ATOM 247 O CYS A 18 -8.516 3.287 7.435 1.00 0.00 O ATOM 248 CB CYS A 18 -8.244 1.640 4.590 1.00 0.00 C ATOM 249 SG CYS A 18 -7.399 1.579 2.992 1.00 0.00 S ATOM 0 H CYS A 18 -6.184 0.390 5.162 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.874 2.996 5.540 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.680 0.663 4.796 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -9.069 2.350 4.526 1.00 0.00 H new ATOM 0 HG CYS A 18 -8.126 2.175 2.094 1.00 0.00 H new ATOM 255 N GLN A 19 -8.480 1.048 7.659 1.00 0.00 N ATOM 256 CA GLN A 19 -9.269 1.048 8.885 1.00 0.00 C ATOM 257 C GLN A 19 -8.476 1.645 10.043 1.00 0.00 C ATOM 258 O GLN A 19 -9.004 2.430 10.829 1.00 0.00 O ATOM 259 CB GLN A 19 -9.709 -0.375 9.233 1.00 0.00 C ATOM 260 CG GLN A 19 -11.008 -0.791 8.561 1.00 0.00 C ATOM 261 CD GLN A 19 -11.277 -2.278 8.682 1.00 0.00 C ATOM 262 OE1 GLN A 19 -10.385 -3.057 9.020 1.00 0.00 O ATOM 263 NE2 GLN A 19 -12.512 -2.681 8.405 1.00 0.00 N ATOM 0 H GLN A 19 -8.199 0.122 7.338 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.153 1.664 8.718 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.921 -1.071 8.945 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.826 -0.456 10.314 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.836 -0.238 9.005 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.971 -0.517 7.507 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.220 -2.001 8.129 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.752 -3.670 8.469 1.00 0.00 H new ATOM 272 N GLN A 20 -7.205 1.266 10.141 1.00 0.00 N ATOM 273 CA GLN A 20 -6.340 1.764 11.204 1.00 0.00 C ATOM 274 C GLN A 20 -6.215 3.282 11.138 1.00 0.00 C ATOM 275 O GLN A 20 -6.402 3.973 12.139 1.00 0.00 O ATOM 276 CB GLN A 20 -4.956 1.121 11.106 1.00 0.00 C ATOM 277 CG GLN A 20 -4.948 -0.362 11.441 1.00 0.00 C ATOM 278 CD GLN A 20 -4.754 -0.624 12.922 1.00 0.00 C ATOM 279 OE1 GLN A 20 -4.226 0.217 13.650 1.00 0.00 O ATOM 280 NE2 GLN A 20 -5.182 -1.796 13.376 1.00 0.00 N ATOM 0 H GLN A 20 -6.752 0.617 9.498 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.790 1.497 12.160 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.572 1.259 10.095 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.275 1.641 11.780 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.888 -0.809 11.117 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.152 -0.853 10.882 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.614 -2.464 12.737 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.079 -2.029 14.364 1.00 0.00 H new ATOM 289 N GLN A 21 -5.897 3.794 9.953 1.00 0.00 N ATOM 290 CA GLN A 21 -5.746 5.231 9.758 1.00 0.00 C ATOM 291 C GLN A 21 -7.069 5.954 9.987 1.00 0.00 C ATOM 292 O GLN A 21 -7.125 6.960 10.695 1.00 0.00 O ATOM 293 CB GLN A 21 -5.230 5.524 8.348 1.00 0.00 C ATOM 294 CG GLN A 21 -4.128 4.579 7.895 1.00 0.00 C ATOM 295 CD GLN A 21 -3.277 4.080 9.047 1.00 0.00 C ATOM 296 OE1 GLN A 21 -2.868 4.993 9.920 1.00 0.00 O flip ATOM 297 NE2 GLN A 21 -2.991 2.887 9.151 1.00 0.00 N flip ATOM 0 H GLN A 21 -5.739 3.235 9.114 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.022 5.596 10.486 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.061 5.463 7.646 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.857 6.548 8.312 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.574 3.727 7.382 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.491 5.089 7.172 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.327 2.220 8.457 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.418 2.566 9.931 1.00 0.00 H new ATOM 306 N THR A 22 -8.134 5.434 9.385 1.00 0.00 N ATOM 307 CA THR A 22 -9.457 6.030 9.522 1.00 0.00 C ATOM 308 C THR A 22 -9.946 5.956 10.964 1.00 0.00 C ATOM 309 O THR A 22 -10.629 6.861 11.444 1.00 0.00 O ATOM 310 CB THR A 22 -10.484 5.336 8.608 1.00 0.00 C ATOM 311 OG1 THR A 22 -10.472 3.924 8.841 1.00 0.00 O ATOM 312 CG2 THR A 22 -10.180 5.616 7.143 1.00 0.00 C ATOM 0 H THR A 22 -8.106 4.601 8.797 1.00 0.00 H new ATOM 0 HA THR A 22 -9.365 7.075 9.225 1.00 0.00 H new ATOM 0 HB THR A 22 -11.472 5.733 8.841 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.999 3.476 8.109 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.918 5.116 6.516 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.219 6.690 6.962 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.185 5.243 6.900 1.00 0.00 H new ATOM 320 N GLU A 23 -9.593 4.874 11.650 1.00 0.00 N ATOM 321 CA GLU A 23 -9.997 4.683 13.038 1.00 0.00 C ATOM 322 C GLU A 23 -9.924 5.997 13.811 1.00 0.00 C ATOM 323 O GLU A 23 -8.975 6.765 13.663 1.00 0.00 O ATOM 324 CB GLU A 23 -9.110 3.633 13.711 1.00 0.00 C ATOM 325 CG GLU A 23 -9.795 2.900 14.852 1.00 0.00 C ATOM 326 CD GLU A 23 -10.767 1.843 14.367 1.00 0.00 C ATOM 327 OE1 GLU A 23 -11.926 2.198 14.064 1.00 0.00 O ATOM 328 OE2 GLU A 23 -10.371 0.662 14.290 1.00 0.00 O ATOM 0 H GLU A 23 -9.028 4.116 11.267 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.030 4.334 13.044 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.790 2.907 12.964 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.210 4.118 14.090 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.040 2.431 15.483 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.328 3.620 15.473 1.00 0.00 H new ATOM 335 N GLY A 24 -10.936 6.248 14.636 1.00 0.00 N ATOM 336 CA GLY A 24 -10.969 7.469 15.419 1.00 0.00 C ATOM 337 C GLY A 24 -11.948 8.486 14.867 1.00 0.00 C ATOM 338 O GLY A 24 -12.710 9.096 15.618 1.00 0.00 O ATOM 0 H GLY A 24 -11.733 5.627 14.776 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.240 7.230 16.448 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.971 7.907 15.445 1.00 0.00 H new ATOM 342 N TYR A 25 -11.927 8.671 13.552 1.00 0.00 N ATOM 343 CA TYR A 25 -12.817 9.625 12.900 1.00 0.00 C ATOM 344 C TYR A 25 -14.260 9.420 13.351 1.00 0.00 C ATOM 345 O TYR A 25 -14.692 8.293 13.588 1.00 0.00 O ATOM 346 CB TYR A 25 -12.721 9.486 11.379 1.00 0.00 C ATOM 347 CG TYR A 25 -11.578 10.265 10.771 1.00 0.00 C ATOM 348 CD1 TYR A 25 -10.258 9.896 11.002 1.00 0.00 C ATOM 349 CD2 TYR A 25 -11.817 11.371 9.964 1.00 0.00 C ATOM 350 CE1 TYR A 25 -9.211 10.605 10.448 1.00 0.00 C ATOM 351 CE2 TYR A 25 -10.775 12.086 9.405 1.00 0.00 C ATOM 352 CZ TYR A 25 -9.474 11.699 9.650 1.00 0.00 C ATOM 353 OH TYR A 25 -8.433 12.408 9.096 1.00 0.00 O ATOM 0 H TYR A 25 -11.304 8.173 12.916 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.505 10.629 13.187 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -12.607 8.432 11.125 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -13.657 9.822 10.932 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.048 9.040 11.626 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -12.835 11.677 9.770 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.191 10.305 10.638 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.978 12.943 8.780 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.675 13.356 9.042 1.00 0.00 H new ATOM 363 N GLN A 26 -14.998 10.519 13.466 1.00 0.00 N ATOM 364 CA GLN A 26 -16.392 10.461 13.889 1.00 0.00 C ATOM 365 C GLN A 26 -17.308 10.171 12.705 1.00 0.00 C ATOM 366 O GLN A 26 -17.121 10.710 11.614 1.00 0.00 O ATOM 367 CB GLN A 26 -16.801 11.777 14.554 1.00 0.00 C ATOM 368 CG GLN A 26 -16.760 12.972 13.614 1.00 0.00 C ATOM 369 CD GLN A 26 -17.028 14.283 14.326 1.00 0.00 C ATOM 370 OE1 GLN A 26 -18.154 14.781 14.331 1.00 0.00 O ATOM 371 NE2 GLN A 26 -15.992 14.850 14.933 1.00 0.00 N ATOM 0 H GLN A 26 -14.654 11.460 13.272 1.00 0.00 H new ATOM 0 HA GLN A 26 -16.493 9.651 14.611 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -17.810 11.674 14.954 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.141 11.968 15.400 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -15.783 13.017 13.132 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -17.499 12.834 12.824 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -15.076 14.402 14.904 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -16.112 15.733 15.429 1.00 0.00 H new ATOM 380 N HIS A 27 -18.300 9.313 12.926 1.00 0.00 N ATOM 381 CA HIS A 27 -19.246 8.951 11.877 1.00 0.00 C ATOM 382 C HIS A 27 -18.531 8.274 10.711 1.00 0.00 C ATOM 383 O HIS A 27 -18.996 8.323 9.572 1.00 0.00 O ATOM 384 CB HIS A 27 -19.992 10.191 11.383 1.00 0.00 C ATOM 385 CG HIS A 27 -20.994 10.717 12.364 1.00 0.00 C ATOM 386 ND1 HIS A 27 -22.265 11.113 12.003 1.00 0.00 N ATOM 387 CD2 HIS A 27 -20.907 10.911 13.701 1.00 0.00 C ATOM 388 CE1 HIS A 27 -22.915 11.529 13.075 1.00 0.00 C ATOM 389 NE2 HIS A 27 -22.114 11.416 14.118 1.00 0.00 N ATOM 0 H HIS A 27 -18.469 8.856 13.822 1.00 0.00 H new ATOM 0 HA HIS A 27 -19.965 8.248 12.297 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -19.269 10.975 11.159 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -20.501 9.951 10.450 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -20.048 10.707 14.324 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -23.930 11.899 13.095 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -22.353 11.664 15.078 1.00 0.00 H new ATOM 398 N VAL A 28 -17.398 7.645 11.003 1.00 0.00 N ATOM 399 CA VAL A 28 -16.619 6.959 9.979 1.00 0.00 C ATOM 400 C VAL A 28 -16.332 5.517 10.382 1.00 0.00 C ATOM 401 O VAL A 28 -15.343 5.235 11.058 1.00 0.00 O ATOM 402 CB VAL A 28 -15.285 7.680 9.711 1.00 0.00 C ATOM 403 CG1 VAL A 28 -14.418 6.866 8.763 1.00 0.00 C ATOM 404 CG2 VAL A 28 -15.536 9.074 9.154 1.00 0.00 C ATOM 0 H VAL A 28 -16.999 7.596 11.940 1.00 0.00 H new ATOM 0 HA VAL A 28 -17.217 6.967 9.068 1.00 0.00 H new ATOM 0 HB VAL A 28 -14.751 7.781 10.656 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.480 7.392 8.586 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -14.210 5.892 9.206 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -14.942 6.730 7.817 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -14.583 9.570 8.970 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -16.091 8.998 8.219 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.114 9.654 9.873 1.00 0.00 H new ATOM 414 N ASN A 29 -17.203 4.606 9.961 1.00 0.00 N ATOM 415 CA ASN A 29 -17.044 3.191 10.278 1.00 0.00 C ATOM 416 C ASN A 29 -16.647 2.397 9.037 1.00 0.00 C ATOM 417 O ASN A 29 -17.497 1.829 8.352 1.00 0.00 O ATOM 418 CB ASN A 29 -18.340 2.629 10.864 1.00 0.00 C ATOM 419 CG ASN A 29 -18.278 1.128 11.070 1.00 0.00 C ATOM 420 OD1 ASN A 29 -17.209 0.566 11.307 1.00 0.00 O ATOM 421 ND2 ASN A 29 -19.429 0.470 10.981 1.00 0.00 N ATOM 0 H ASN A 29 -18.027 4.822 9.399 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.249 3.097 11.018 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -18.545 3.116 11.817 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.170 2.868 10.199 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -19.450 -0.541 11.111 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -20.292 0.976 10.783 1.00 0.00 H new ATOM 428 N VAL A 30 -15.348 2.362 8.754 1.00 0.00 N ATOM 429 CA VAL A 30 -14.838 1.637 7.597 1.00 0.00 C ATOM 430 C VAL A 30 -14.833 0.133 7.849 1.00 0.00 C ATOM 431 O VAL A 30 -14.004 -0.379 8.602 1.00 0.00 O ATOM 432 CB VAL A 30 -13.411 2.090 7.235 1.00 0.00 C ATOM 433 CG1 VAL A 30 -12.895 1.319 6.029 1.00 0.00 C ATOM 434 CG2 VAL A 30 -13.378 3.588 6.974 1.00 0.00 C ATOM 0 H VAL A 30 -14.631 2.827 9.310 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.505 1.861 6.764 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.756 1.877 8.080 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.886 1.653 5.788 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.880 0.253 6.258 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -13.549 1.498 5.176 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.362 3.891 6.720 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.046 3.828 6.147 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -13.702 4.120 7.868 1.00 0.00 H new ATOM 444 N THR A 31 -15.765 -0.571 7.214 1.00 0.00 N ATOM 445 CA THR A 31 -15.869 -2.016 7.369 1.00 0.00 C ATOM 446 C THR A 31 -15.631 -2.731 6.044 1.00 0.00 C ATOM 447 O THR A 31 -15.074 -3.828 6.010 1.00 0.00 O ATOM 448 CB THR A 31 -17.249 -2.424 7.918 1.00 0.00 C ATOM 449 OG1 THR A 31 -18.285 -1.861 7.106 1.00 0.00 O ATOM 450 CG2 THR A 31 -17.417 -1.961 9.357 1.00 0.00 C ATOM 0 H THR A 31 -16.459 -0.163 6.587 1.00 0.00 H new ATOM 0 HA THR A 31 -15.100 -2.313 8.082 1.00 0.00 H new ATOM 0 HB THR A 31 -17.319 -3.511 7.893 1.00 0.00 H new ATOM 0 HG1 THR A 31 -19.159 -2.126 7.461 1.00 0.00 H new ATOM 0 HG21 THR A 31 -18.399 -2.260 9.723 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.644 -2.415 9.978 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.328 -0.876 9.403 1.00 0.00 H new ATOM 458 N ASP A 32 -16.056 -2.101 4.953 1.00 0.00 N ATOM 459 CA ASP A 32 -15.887 -2.677 3.624 1.00 0.00 C ATOM 460 C ASP A 32 -15.089 -1.739 2.723 1.00 0.00 C ATOM 461 O ASP A 32 -14.646 -0.674 3.156 1.00 0.00 O ATOM 462 CB ASP A 32 -17.250 -2.971 2.996 1.00 0.00 C ATOM 463 CG ASP A 32 -18.003 -4.061 3.732 1.00 0.00 C ATOM 464 OD1 ASP A 32 -17.362 -5.048 4.150 1.00 0.00 O ATOM 465 OD2 ASP A 32 -19.235 -3.928 3.890 1.00 0.00 O ATOM 0 H ASP A 32 -16.519 -1.192 4.963 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.334 -3.611 3.727 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -17.848 -2.060 2.991 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -17.111 -3.268 1.956 1.00 0.00 H new ATOM 470 N LEU A 33 -14.910 -2.141 1.470 1.00 0.00 N ATOM 471 CA LEU A 33 -14.165 -1.337 0.508 1.00 0.00 C ATOM 472 C LEU A 33 -15.060 -0.901 -0.648 1.00 0.00 C ATOM 473 O LEU A 33 -14.578 -0.440 -1.683 1.00 0.00 O ATOM 474 CB LEU A 33 -12.969 -2.126 -0.028 1.00 0.00 C ATOM 475 CG LEU A 33 -11.981 -2.642 1.019 1.00 0.00 C ATOM 476 CD1 LEU A 33 -11.120 -3.753 0.439 1.00 0.00 C ATOM 477 CD2 LEU A 33 -11.112 -1.506 1.537 1.00 0.00 C ATOM 0 H LEU A 33 -15.271 -3.019 1.096 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.805 -0.445 1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.346 -2.978 -0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.426 -1.492 -0.729 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.548 -3.050 1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.423 -4.107 1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.757 -4.577 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.562 -3.372 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.415 -1.891 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.554 -1.068 0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.744 -0.743 1.992 1.00 0.00 H new ATOM 489 N THR A 34 -16.369 -1.049 -0.464 1.00 0.00 N ATOM 490 CA THR A 34 -17.332 -0.670 -1.489 1.00 0.00 C ATOM 491 C THR A 34 -18.245 0.449 -1.000 1.00 0.00 C ATOM 492 O THR A 34 -18.273 1.537 -1.575 1.00 0.00 O ATOM 493 CB THR A 34 -18.196 -1.871 -1.919 1.00 0.00 C ATOM 494 OG1 THR A 34 -18.722 -2.534 -0.764 1.00 0.00 O ATOM 495 CG2 THR A 34 -17.383 -2.854 -2.748 1.00 0.00 C ATOM 0 H THR A 34 -16.786 -1.429 0.386 1.00 0.00 H new ATOM 0 HA THR A 34 -16.759 -0.318 -2.347 1.00 0.00 H new ATOM 0 HB THR A 34 -19.018 -1.499 -2.530 1.00 0.00 H new ATOM 0 HG1 THR A 34 -19.271 -3.295 -1.046 1.00 0.00 H new ATOM 0 HG21 THR A 34 -18.014 -3.693 -3.040 1.00 0.00 H new ATOM 0 HG22 THR A 34 -17.008 -2.354 -3.641 1.00 0.00 H new ATOM 0 HG23 THR A 34 -16.543 -3.220 -2.158 1.00 0.00 H new ATOM 503 N THR A 35 -18.990 0.175 0.066 1.00 0.00 N ATOM 504 CA THR A 35 -19.904 1.159 0.632 1.00 0.00 C ATOM 505 C THR A 35 -19.152 2.200 1.453 1.00 0.00 C ATOM 506 O THR A 35 -19.393 3.400 1.321 1.00 0.00 O ATOM 507 CB THR A 35 -20.968 0.490 1.524 1.00 0.00 C ATOM 508 OG1 THR A 35 -20.335 -0.198 2.609 1.00 0.00 O ATOM 509 CG2 THR A 35 -21.810 -0.489 0.719 1.00 0.00 C ATOM 0 H THR A 35 -18.978 -0.720 0.555 1.00 0.00 H new ATOM 0 HA THR A 35 -20.399 1.649 -0.206 1.00 0.00 H new ATOM 0 HB THR A 35 -21.621 1.268 1.919 1.00 0.00 H new ATOM 0 HG1 THR A 35 -21.018 -0.619 3.172 1.00 0.00 H new ATOM 0 HG21 THR A 35 -22.554 -0.949 1.369 1.00 0.00 H new ATOM 0 HG22 THR A 35 -22.313 0.042 -0.089 1.00 0.00 H new ATOM 0 HG23 THR A 35 -21.167 -1.263 0.299 1.00 0.00 H new ATOM 517 N SER A 36 -18.239 1.734 2.299 1.00 0.00 N ATOM 518 CA SER A 36 -17.453 2.626 3.143 1.00 0.00 C ATOM 519 C SER A 36 -16.873 3.776 2.326 1.00 0.00 C ATOM 520 O SER A 36 -16.746 4.898 2.817 1.00 0.00 O ATOM 521 CB SER A 36 -16.324 1.852 3.827 1.00 0.00 C ATOM 522 OG SER A 36 -16.841 0.848 4.684 1.00 0.00 O ATOM 0 H SER A 36 -18.025 0.744 2.418 1.00 0.00 H new ATOM 0 HA SER A 36 -18.113 3.041 3.904 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.682 1.396 3.073 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.703 2.540 4.401 1.00 0.00 H new ATOM 0 HG SER A 36 -17.263 1.268 5.462 1.00 0.00 H new ATOM 528 N TRP A 37 -16.523 3.489 1.078 1.00 0.00 N ATOM 529 CA TRP A 37 -15.957 4.500 0.191 1.00 0.00 C ATOM 530 C TRP A 37 -16.945 4.877 -0.906 1.00 0.00 C ATOM 531 O TRP A 37 -16.554 5.137 -2.044 1.00 0.00 O ATOM 532 CB TRP A 37 -14.655 3.990 -0.430 1.00 0.00 C ATOM 533 CG TRP A 37 -13.820 3.184 0.517 1.00 0.00 C ATOM 534 CD1 TRP A 37 -14.153 1.991 1.093 1.00 0.00 C ATOM 535 CD2 TRP A 37 -12.513 3.514 1.001 1.00 0.00 C ATOM 536 NE1 TRP A 37 -13.132 1.560 1.905 1.00 0.00 N ATOM 537 CE2 TRP A 37 -12.115 2.476 1.865 1.00 0.00 C ATOM 538 CE3 TRP A 37 -11.641 4.584 0.787 1.00 0.00 C ATOM 539 CZ2 TRP A 37 -10.883 2.479 2.514 1.00 0.00 C ATOM 540 CZ3 TRP A 37 -10.418 4.586 1.432 1.00 0.00 C ATOM 541 CH2 TRP A 37 -10.048 3.539 2.286 1.00 0.00 C ATOM 0 H TRP A 37 -16.621 2.565 0.657 1.00 0.00 H new ATOM 0 HA TRP A 37 -15.745 5.390 0.783 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -14.891 3.381 -1.303 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -14.072 4.841 -0.783 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -15.082 1.464 0.934 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -13.132 0.697 2.449 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -11.917 5.395 0.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.597 1.673 3.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -9.736 5.409 1.275 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -9.085 3.569 2.774 1.00 0.00 H new ATOM 552 N ARG A 38 -18.227 4.906 -0.557 1.00 0.00 N ATOM 553 CA ARG A 38 -19.272 5.251 -1.514 1.00 0.00 C ATOM 554 C ARG A 38 -19.455 6.764 -1.598 1.00 0.00 C ATOM 555 O ARG A 38 -19.668 7.315 -2.678 1.00 0.00 O ATOM 556 CB ARG A 38 -20.593 4.588 -1.121 1.00 0.00 C ATOM 557 CG ARG A 38 -21.294 5.270 0.043 1.00 0.00 C ATOM 558 CD ARG A 38 -22.535 4.503 0.472 1.00 0.00 C ATOM 559 NE ARG A 38 -23.142 5.072 1.672 1.00 0.00 N ATOM 560 CZ ARG A 38 -23.993 6.092 1.653 1.00 0.00 C ATOM 561 NH1 ARG A 38 -24.336 6.652 0.502 1.00 0.00 N ATOM 562 NH2 ARG A 38 -24.503 6.554 2.788 1.00 0.00 N ATOM 0 H ARG A 38 -18.567 4.695 0.381 1.00 0.00 H new ATOM 0 HA ARG A 38 -18.967 4.884 -2.494 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -21.259 4.585 -1.984 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -20.404 3.547 -0.861 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -20.607 5.353 0.885 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -21.572 6.285 -0.242 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -23.263 4.508 -0.339 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -22.272 3.462 0.658 1.00 0.00 H new ATOM 0 HE ARG A 38 -22.899 4.664 2.575 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -23.946 6.300 -0.372 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -24.990 7.435 0.491 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -24.242 6.126 3.676 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -25.156 7.337 2.772 1.00 0.00 H new ATOM 576 N SER A 39 -19.370 7.429 -0.450 1.00 0.00 N ATOM 577 CA SER A 39 -19.531 8.877 -0.392 1.00 0.00 C ATOM 578 C SER A 39 -18.197 9.581 -0.621 1.00 0.00 C ATOM 579 O SER A 39 -18.125 10.587 -1.325 1.00 0.00 O ATOM 580 CB SER A 39 -20.115 9.294 0.959 1.00 0.00 C ATOM 581 OG SER A 39 -19.986 10.690 1.162 1.00 0.00 O ATOM 0 H SER A 39 -19.191 6.988 0.452 1.00 0.00 H new ATOM 0 HA SER A 39 -20.220 9.173 -1.184 1.00 0.00 H new ATOM 0 HB2 SER A 39 -21.167 9.012 1.006 1.00 0.00 H new ATOM 0 HB3 SER A 39 -19.605 8.758 1.760 1.00 0.00 H new ATOM 0 HG SER A 39 -20.873 11.084 1.301 1.00 0.00 H new ATOM 587 N GLY A 40 -17.140 9.043 -0.019 1.00 0.00 N ATOM 588 CA GLY A 40 -15.822 9.632 -0.169 1.00 0.00 C ATOM 589 C GLY A 40 -15.137 9.867 1.163 1.00 0.00 C ATOM 590 O GLY A 40 -13.920 9.717 1.279 1.00 0.00 O ATOM 0 H GLY A 40 -17.173 8.210 0.569 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.203 8.977 -0.782 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.909 10.579 -0.701 1.00 0.00 H new ATOM 594 N LEU A 41 -15.920 10.238 2.171 1.00 0.00 N ATOM 595 CA LEU A 41 -15.382 10.497 3.502 1.00 0.00 C ATOM 596 C LEU A 41 -14.241 9.536 3.824 1.00 0.00 C ATOM 597 O LEU A 41 -13.144 9.959 4.187 1.00 0.00 O ATOM 598 CB LEU A 41 -16.485 10.368 4.553 1.00 0.00 C ATOM 599 CG LEU A 41 -17.720 11.244 4.342 1.00 0.00 C ATOM 600 CD1 LEU A 41 -18.800 10.899 5.355 1.00 0.00 C ATOM 601 CD2 LEU A 41 -17.350 12.718 4.434 1.00 0.00 C ATOM 0 H LEU A 41 -16.929 10.366 2.092 1.00 0.00 H new ATOM 0 HA LEU A 41 -14.991 11.514 3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.805 9.327 4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.059 10.604 5.528 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.113 11.050 3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -19.671 11.533 5.189 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.085 9.853 5.241 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.419 11.063 6.363 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -18.241 13.327 4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -16.932 12.927 5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.612 12.956 3.668 1.00 0.00 H new ATOM 613 N ALA A 42 -14.508 8.242 3.687 1.00 0.00 N ATOM 614 CA ALA A 42 -13.504 7.221 3.960 1.00 0.00 C ATOM 615 C ALA A 42 -12.135 7.645 3.438 1.00 0.00 C ATOM 616 O ALA A 42 -11.183 7.786 4.206 1.00 0.00 O ATOM 617 CB ALA A 42 -13.918 5.894 3.342 1.00 0.00 C ATOM 0 H ALA A 42 -15.412 7.875 3.388 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.431 7.098 5.041 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.159 5.141 3.554 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.871 5.577 3.765 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -14.021 6.011 2.263 1.00 0.00 H new ATOM 623 N LEU A 43 -12.043 7.847 2.128 1.00 0.00 N ATOM 624 CA LEU A 43 -10.790 8.254 1.502 1.00 0.00 C ATOM 625 C LEU A 43 -10.370 9.642 1.977 1.00 0.00 C ATOM 626 O LEU A 43 -9.214 9.861 2.341 1.00 0.00 O ATOM 627 CB LEU A 43 -10.930 8.245 -0.021 1.00 0.00 C ATOM 628 CG LEU A 43 -9.711 8.723 -0.810 1.00 0.00 C ATOM 629 CD1 LEU A 43 -8.512 7.831 -0.532 1.00 0.00 C ATOM 630 CD2 LEU A 43 -10.020 8.756 -2.300 1.00 0.00 C ATOM 0 H LEU A 43 -12.822 7.735 1.479 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.019 7.541 1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.167 7.229 -0.338 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.781 8.870 -0.291 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.467 9.735 -0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.654 8.187 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.277 7.858 0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.744 6.807 -0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.141 9.099 -2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.290 7.755 -2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.850 9.438 -2.484 1.00 0.00 H new ATOM 642 N CYS A 44 -11.317 10.574 1.973 1.00 0.00 N ATOM 643 CA CYS A 44 -11.046 11.941 2.405 1.00 0.00 C ATOM 644 C CYS A 44 -10.361 11.955 3.767 1.00 0.00 C ATOM 645 O CYS A 44 -9.525 12.814 4.044 1.00 0.00 O ATOM 646 CB CYS A 44 -12.345 12.745 2.466 1.00 0.00 C ATOM 647 SG CYS A 44 -13.055 13.124 0.846 1.00 0.00 S ATOM 0 H CYS A 44 -12.279 10.408 1.676 1.00 0.00 H new ATOM 0 HA CYS A 44 -10.377 12.400 1.677 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -13.077 12.188 3.051 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.157 13.679 2.996 1.00 0.00 H new ATOM 0 HG CYS A 44 -14.152 13.804 1.001 1.00 0.00 H new ATOM 653 N ALA A 45 -10.722 10.997 4.615 1.00 0.00 N ATOM 654 CA ALA A 45 -10.142 10.899 5.949 1.00 0.00 C ATOM 655 C ALA A 45 -8.635 10.675 5.877 1.00 0.00 C ATOM 656 O ALA A 45 -7.864 11.354 6.557 1.00 0.00 O ATOM 657 CB ALA A 45 -10.807 9.778 6.733 1.00 0.00 C ATOM 0 H ALA A 45 -11.413 10.278 4.402 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.319 11.843 6.465 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.364 9.717 7.727 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.874 9.981 6.823 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.660 8.832 6.211 1.00 0.00 H new ATOM 663 N ILE A 46 -8.222 9.720 5.051 1.00 0.00 N ATOM 664 CA ILE A 46 -6.808 9.408 4.891 1.00 0.00 C ATOM 665 C ILE A 46 -6.021 10.636 4.447 1.00 0.00 C ATOM 666 O ILE A 46 -4.995 10.976 5.038 1.00 0.00 O ATOM 667 CB ILE A 46 -6.593 8.277 3.868 1.00 0.00 C ATOM 668 CG1 ILE A 46 -7.388 7.034 4.275 1.00 0.00 C ATOM 669 CG2 ILE A 46 -5.113 7.948 3.744 1.00 0.00 C ATOM 670 CD1 ILE A 46 -7.465 5.984 3.189 1.00 0.00 C ATOM 0 H ILE A 46 -8.847 9.149 4.482 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.445 9.079 5.865 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.953 8.614 2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.931 6.595 5.162 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.399 7.334 4.552 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.978 7.147 3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.570 8.833 3.413 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.729 7.628 4.713 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.043 5.132 3.547 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.949 6.406 2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.459 5.656 2.928 1.00 0.00 H new ATOM 682 N ILE A 47 -6.508 11.299 3.404 1.00 0.00 N ATOM 683 CA ILE A 47 -5.852 12.491 2.882 1.00 0.00 C ATOM 684 C ILE A 47 -5.770 13.583 3.944 1.00 0.00 C ATOM 685 O ILE A 47 -4.682 14.040 4.298 1.00 0.00 O ATOM 686 CB ILE A 47 -6.588 13.045 1.648 1.00 0.00 C ATOM 687 CG1 ILE A 47 -6.618 11.999 0.532 1.00 0.00 C ATOM 688 CG2 ILE A 47 -5.923 14.325 1.165 1.00 0.00 C ATOM 689 CD1 ILE A 47 -7.593 12.326 -0.576 1.00 0.00 C ATOM 0 H ILE A 47 -7.355 11.031 2.903 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.845 12.194 2.590 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.615 13.277 1.930 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.618 11.903 0.109 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.878 11.031 0.960 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.455 14.704 0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.950 15.071 1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.887 14.118 0.897 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.561 11.542 -1.332 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.601 12.394 -0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.321 13.279 -1.030 1.00 0.00 H new ATOM 701 N HIS A 48 -6.927 13.995 4.451 1.00 0.00 N ATOM 702 CA HIS A 48 -6.986 15.031 5.476 1.00 0.00 C ATOM 703 C HIS A 48 -6.036 14.714 6.626 1.00 0.00 C ATOM 704 O HIS A 48 -5.324 15.591 7.116 1.00 0.00 O ATOM 705 CB HIS A 48 -8.414 15.175 6.004 1.00 0.00 C ATOM 706 CG HIS A 48 -8.493 15.829 7.349 1.00 0.00 C ATOM 707 ND1 HIS A 48 -8.144 15.187 8.519 1.00 0.00 N ATOM 708 CD2 HIS A 48 -8.881 17.075 7.706 1.00 0.00 C ATOM 709 CE1 HIS A 48 -8.316 16.011 9.538 1.00 0.00 C ATOM 710 NE2 HIS A 48 -8.763 17.163 9.072 1.00 0.00 N ATOM 0 H HIS A 48 -7.836 13.628 4.169 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.677 15.973 5.023 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -8.999 15.757 5.292 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -8.872 14.188 6.062 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -9.220 17.855 7.041 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.124 15.781 10.576 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -8.985 17.984 9.635 1.00 0.00 H new ATOM 719 N ARG A 49 -6.031 13.455 7.053 1.00 0.00 N ATOM 720 CA ARG A 49 -5.169 13.022 8.146 1.00 0.00 C ATOM 721 C ARG A 49 -3.781 13.644 8.023 1.00 0.00 C ATOM 722 O ARG A 49 -3.355 14.414 8.885 1.00 0.00 O ATOM 723 CB ARG A 49 -5.057 11.497 8.163 1.00 0.00 C ATOM 724 CG ARG A 49 -4.210 10.961 9.306 1.00 0.00 C ATOM 725 CD ARG A 49 -5.052 10.688 10.542 1.00 0.00 C ATOM 726 NE ARG A 49 -4.227 10.410 11.715 1.00 0.00 N ATOM 727 CZ ARG A 49 -3.689 11.356 12.477 1.00 0.00 C ATOM 728 NH1 ARG A 49 -3.889 12.635 12.190 1.00 0.00 N ATOM 729 NH2 ARG A 49 -2.951 11.023 13.528 1.00 0.00 N ATOM 0 H ARG A 49 -6.614 12.717 6.658 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.616 13.356 9.082 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.057 11.068 8.231 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.630 11.162 7.218 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.713 10.043 8.993 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.428 11.680 9.549 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.690 11.548 10.743 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.710 9.840 10.352 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.054 9.436 11.963 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.457 12.894 11.383 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.475 13.360 12.776 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.796 10.040 13.752 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.538 11.750 14.112 1.00 0.00 H new ATOM 743 N PHE A 50 -3.079 13.304 6.947 1.00 0.00 N ATOM 744 CA PHE A 50 -1.738 13.827 6.712 1.00 0.00 C ATOM 745 C PHE A 50 -1.787 15.313 6.371 1.00 0.00 C ATOM 746 O PHE A 50 -1.043 16.115 6.936 1.00 0.00 O ATOM 747 CB PHE A 50 -1.058 13.054 5.580 1.00 0.00 C ATOM 748 CG PHE A 50 -0.691 11.646 5.952 1.00 0.00 C ATOM 749 CD1 PHE A 50 -1.631 10.630 5.886 1.00 0.00 C ATOM 750 CD2 PHE A 50 0.595 11.338 6.368 1.00 0.00 C ATOM 751 CE1 PHE A 50 -1.296 9.333 6.227 1.00 0.00 C ATOM 752 CE2 PHE A 50 0.935 10.043 6.710 1.00 0.00 C ATOM 753 CZ PHE A 50 -0.012 9.040 6.641 1.00 0.00 C ATOM 0 H PHE A 50 -3.416 12.669 6.224 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.159 13.701 7.627 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.722 13.032 4.716 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.157 13.588 5.276 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.637 10.854 5.564 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.339 12.119 6.425 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.038 8.550 6.170 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.941 9.815 7.031 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.252 8.028 6.911 1.00 0.00 H new ATOM 763 N ARG A 51 -2.667 15.673 5.443 1.00 0.00 N ATOM 764 CA ARG A 51 -2.812 17.062 5.024 1.00 0.00 C ATOM 765 C ARG A 51 -4.273 17.497 5.079 1.00 0.00 C ATOM 766 O ARG A 51 -5.019 17.376 4.107 1.00 0.00 O ATOM 767 CB ARG A 51 -2.265 17.250 3.608 1.00 0.00 C ATOM 768 CG ARG A 51 -0.775 17.544 3.564 1.00 0.00 C ATOM 769 CD ARG A 51 0.048 16.272 3.685 1.00 0.00 C ATOM 770 NE ARG A 51 0.011 15.476 2.461 1.00 0.00 N ATOM 771 CZ ARG A 51 0.610 14.298 2.331 1.00 0.00 C ATOM 772 NH1 ARG A 51 1.289 13.781 3.345 1.00 0.00 N ATOM 773 NH2 ARG A 51 0.530 13.634 1.185 1.00 0.00 N ATOM 0 H ARG A 51 -3.291 15.022 4.967 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.240 17.684 5.712 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.466 16.350 3.028 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.802 18.067 3.126 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.530 18.049 2.630 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.514 18.226 4.373 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.081 16.530 3.918 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.327 15.675 4.517 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.504 15.845 1.662 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.352 14.288 4.228 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.748 12.876 3.243 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.008 14.028 0.402 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.991 12.729 1.087 1.00 0.00 H new ATOM 787 N PRO A 52 -4.693 18.015 6.243 1.00 0.00 N ATOM 788 CA PRO A 52 -6.068 18.479 6.452 1.00 0.00 C ATOM 789 C PRO A 52 -6.380 19.745 5.663 1.00 0.00 C ATOM 790 O PRO A 52 -7.541 20.126 5.517 1.00 0.00 O ATOM 791 CB PRO A 52 -6.123 18.759 7.956 1.00 0.00 C ATOM 792 CG PRO A 52 -4.712 19.043 8.340 1.00 0.00 C ATOM 793 CD PRO A 52 -3.858 18.189 7.443 1.00 0.00 C ATOM 0 HA PRO A 52 -6.801 17.746 6.113 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.772 19.606 8.177 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.518 17.903 8.504 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.478 20.100 8.211 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.537 18.803 9.389 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.911 18.675 7.207 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.618 17.233 7.908 1.00 0.00 H new ATOM 801 N GLU A 53 -5.335 20.393 5.156 1.00 0.00 N ATOM 802 CA GLU A 53 -5.500 21.618 4.381 1.00 0.00 C ATOM 803 C GLU A 53 -6.115 21.320 3.017 1.00 0.00 C ATOM 804 O GLU A 53 -6.909 22.105 2.497 1.00 0.00 O ATOM 805 CB GLU A 53 -4.152 22.319 4.203 1.00 0.00 C ATOM 806 CG GLU A 53 -4.192 23.474 3.217 1.00 0.00 C ATOM 807 CD GLU A 53 -4.646 24.772 3.857 1.00 0.00 C ATOM 808 OE1 GLU A 53 -4.054 25.168 4.883 1.00 0.00 O ATOM 809 OE2 GLU A 53 -5.594 25.393 3.331 1.00 0.00 O ATOM 0 H GLU A 53 -4.367 20.091 5.268 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.175 22.276 4.928 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.814 22.690 5.171 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.415 21.590 3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.201 23.613 2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.864 23.223 2.396 1.00 0.00 H new ATOM 816 N LEU A 54 -5.742 20.182 2.442 1.00 0.00 N ATOM 817 CA LEU A 54 -6.255 19.780 1.137 1.00 0.00 C ATOM 818 C LEU A 54 -7.745 19.461 1.213 1.00 0.00 C ATOM 819 O LEU A 54 -8.524 19.880 0.356 1.00 0.00 O ATOM 820 CB LEU A 54 -5.487 18.563 0.618 1.00 0.00 C ATOM 821 CG LEU A 54 -3.964 18.693 0.588 1.00 0.00 C ATOM 822 CD1 LEU A 54 -3.317 17.338 0.348 1.00 0.00 C ATOM 823 CD2 LEU A 54 -3.535 19.688 -0.480 1.00 0.00 C ATOM 0 H LEU A 54 -5.086 19.521 2.859 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.115 20.612 0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.746 17.704 1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.833 18.344 -0.392 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.631 19.065 1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.233 17.451 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.597 16.654 1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.656 16.937 -0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.448 19.768 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.880 19.346 -1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.969 20.664 -0.263 1.00 0.00 H new ATOM 835 N ILE A 55 -8.134 18.720 2.245 1.00 0.00 N ATOM 836 CA ILE A 55 -9.531 18.348 2.435 1.00 0.00 C ATOM 837 C ILE A 55 -9.992 18.651 3.856 1.00 0.00 C ATOM 838 O ILE A 55 -9.309 18.320 4.825 1.00 0.00 O ATOM 839 CB ILE A 55 -9.761 16.854 2.139 1.00 0.00 C ATOM 840 CG1 ILE A 55 -9.255 16.505 0.738 1.00 0.00 C ATOM 841 CG2 ILE A 55 -11.235 16.507 2.278 1.00 0.00 C ATOM 842 CD1 ILE A 55 -9.398 15.039 0.392 1.00 0.00 C ATOM 0 H ILE A 55 -7.502 18.365 2.962 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.115 18.943 1.732 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.200 16.265 2.864 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.802 17.098 0.005 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.205 16.788 0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.381 15.448 2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.565 16.722 3.294 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.817 17.102 1.574 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.019 14.864 -0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.828 14.440 1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.449 14.755 0.439 1.00 0.00 H new ATOM 854 N ASN A 56 -11.157 19.280 3.973 1.00 0.00 N ATOM 855 CA ASN A 56 -11.711 19.626 5.277 1.00 0.00 C ATOM 856 C ASN A 56 -12.963 18.805 5.571 1.00 0.00 C ATOM 857 O ASN A 56 -14.062 19.151 5.138 1.00 0.00 O ATOM 858 CB ASN A 56 -12.042 21.119 5.333 1.00 0.00 C ATOM 859 CG ASN A 56 -12.437 21.571 6.726 1.00 0.00 C ATOM 860 OD1 ASN A 56 -11.958 21.033 7.724 1.00 0.00 O ATOM 861 ND2 ASN A 56 -13.314 22.565 6.798 1.00 0.00 N ATOM 0 H ASN A 56 -11.735 19.560 3.181 1.00 0.00 H new ATOM 0 HA ASN A 56 -10.962 19.398 6.035 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -11.178 21.693 4.999 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -12.855 21.335 4.640 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.617 22.913 7.708 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.685 22.981 5.944 1.00 0.00 H new ATOM 868 N PHE A 57 -12.788 17.715 6.312 1.00 0.00 N ATOM 869 CA PHE A 57 -13.903 16.844 6.664 1.00 0.00 C ATOM 870 C PHE A 57 -15.089 17.657 7.174 1.00 0.00 C ATOM 871 O PHE A 57 -16.224 17.460 6.739 1.00 0.00 O ATOM 872 CB PHE A 57 -13.470 15.831 7.727 1.00 0.00 C ATOM 873 CG PHE A 57 -14.333 14.603 7.772 1.00 0.00 C ATOM 874 CD1 PHE A 57 -15.628 14.668 8.261 1.00 0.00 C ATOM 875 CD2 PHE A 57 -13.851 13.384 7.324 1.00 0.00 C ATOM 876 CE1 PHE A 57 -16.425 13.539 8.304 1.00 0.00 C ATOM 877 CE2 PHE A 57 -14.643 12.252 7.364 1.00 0.00 C ATOM 878 CZ PHE A 57 -15.932 12.330 7.854 1.00 0.00 C ATOM 0 H PHE A 57 -11.885 17.415 6.680 1.00 0.00 H new ATOM 0 HA PHE A 57 -14.211 16.309 5.766 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -12.439 15.534 7.535 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.486 16.313 8.705 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -16.019 15.611 8.613 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -12.844 13.317 6.939 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -17.432 13.603 8.689 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -14.254 11.308 7.013 1.00 0.00 H new ATOM 0 HZ PHE A 57 -16.553 11.447 7.885 1.00 0.00 H new ATOM 888 N ASP A 58 -14.818 18.570 8.100 1.00 0.00 N ATOM 889 CA ASP A 58 -15.861 19.415 8.670 1.00 0.00 C ATOM 890 C ASP A 58 -16.771 19.966 7.577 1.00 0.00 C ATOM 891 O ASP A 58 -17.978 20.110 7.774 1.00 0.00 O ATOM 892 CB ASP A 58 -15.239 20.566 9.462 1.00 0.00 C ATOM 893 CG ASP A 58 -16.212 21.180 10.450 1.00 0.00 C ATOM 894 OD1 ASP A 58 -17.434 20.995 10.273 1.00 0.00 O ATOM 895 OD2 ASP A 58 -15.750 21.846 11.400 1.00 0.00 O ATOM 0 H ASP A 58 -13.884 18.744 8.472 1.00 0.00 H new ATOM 0 HA ASP A 58 -16.461 18.804 9.344 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.362 20.203 9.998 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.894 21.335 8.770 1.00 0.00 H new ATOM 900 N SER A 59 -16.185 20.274 6.425 1.00 0.00 N ATOM 901 CA SER A 59 -16.942 20.814 5.302 1.00 0.00 C ATOM 902 C SER A 59 -17.595 19.694 4.498 1.00 0.00 C ATOM 903 O SER A 59 -18.717 19.836 4.011 1.00 0.00 O ATOM 904 CB SER A 59 -16.029 21.643 4.396 1.00 0.00 C ATOM 905 OG SER A 59 -16.785 22.489 3.547 1.00 0.00 O ATOM 0 H SER A 59 -15.188 20.159 6.245 1.00 0.00 H new ATOM 0 HA SER A 59 -17.727 21.457 5.700 1.00 0.00 H new ATOM 0 HB2 SER A 59 -15.354 22.244 5.006 1.00 0.00 H new ATOM 0 HB3 SER A 59 -15.409 20.979 3.794 1.00 0.00 H new ATOM 0 HG SER A 59 -16.179 23.009 2.979 1.00 0.00 H new ATOM 911 N LEU A 60 -16.884 18.580 4.362 1.00 0.00 N ATOM 912 CA LEU A 60 -17.393 17.434 3.617 1.00 0.00 C ATOM 913 C LEU A 60 -18.773 17.025 4.122 1.00 0.00 C ATOM 914 O LEU A 60 -18.934 16.654 5.284 1.00 0.00 O ATOM 915 CB LEU A 60 -16.425 16.255 3.732 1.00 0.00 C ATOM 916 CG LEU A 60 -15.001 16.504 3.232 1.00 0.00 C ATOM 917 CD1 LEU A 60 -14.100 15.330 3.582 1.00 0.00 C ATOM 918 CD2 LEU A 60 -14.999 16.751 1.731 1.00 0.00 C ATOM 0 H LEU A 60 -15.954 18.446 4.758 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.481 17.723 2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.374 15.954 4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.841 15.414 3.178 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.613 17.394 3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.091 15.525 3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.077 15.199 4.664 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.485 14.424 3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.978 16.926 1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.407 15.880 1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.611 17.624 1.505 1.00 0.00 H new ATOM 930 N ASN A 61 -19.764 17.094 3.240 1.00 0.00 N ATOM 931 CA ASN A 61 -21.131 16.730 3.596 1.00 0.00 C ATOM 932 C ASN A 61 -21.467 15.328 3.097 1.00 0.00 C ATOM 933 O ASN A 61 -21.542 15.089 1.892 1.00 0.00 O ATOM 934 CB ASN A 61 -22.119 17.742 3.014 1.00 0.00 C ATOM 935 CG ASN A 61 -23.461 17.116 2.685 1.00 0.00 C ATOM 936 OD1 ASN A 61 -23.883 16.153 3.326 1.00 0.00 O ATOM 937 ND2 ASN A 61 -24.139 17.663 1.682 1.00 0.00 N ATOM 0 H ASN A 61 -19.647 17.398 2.274 1.00 0.00 H new ATOM 0 HA ASN A 61 -21.212 16.739 4.683 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -22.265 18.554 3.726 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -21.695 18.182 2.111 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -25.048 17.286 1.415 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -23.750 18.460 1.179 1.00 0.00 H new ATOM 944 N GLU A 62 -21.670 14.405 4.032 1.00 0.00 N ATOM 945 CA GLU A 62 -21.999 13.027 3.687 1.00 0.00 C ATOM 946 C GLU A 62 -23.029 12.979 2.562 1.00 0.00 C ATOM 947 O GLU A 62 -22.884 12.220 1.604 1.00 0.00 O ATOM 948 CB GLU A 62 -22.531 12.283 4.913 1.00 0.00 C ATOM 949 CG GLU A 62 -22.822 10.814 4.655 1.00 0.00 C ATOM 950 CD GLU A 62 -23.283 10.084 5.901 1.00 0.00 C ATOM 951 OE1 GLU A 62 -22.467 9.932 6.835 1.00 0.00 O ATOM 952 OE2 GLU A 62 -24.458 9.663 5.943 1.00 0.00 O ATOM 0 H GLU A 62 -21.612 14.587 5.034 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.087 12.538 3.343 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -21.804 12.364 5.721 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -23.444 12.771 5.256 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -23.588 10.729 3.884 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -21.925 10.332 4.267 1.00 0.00 H new ATOM 959 N ASP A 63 -24.070 13.795 2.687 1.00 0.00 N ATOM 960 CA ASP A 63 -25.126 13.847 1.682 1.00 0.00 C ATOM 961 C ASP A 63 -24.567 14.277 0.329 1.00 0.00 C ATOM 962 O ASP A 63 -25.061 13.860 -0.718 1.00 0.00 O ATOM 963 CB ASP A 63 -26.231 14.809 2.121 1.00 0.00 C ATOM 964 CG ASP A 63 -27.311 14.968 1.070 1.00 0.00 C ATOM 965 OD1 ASP A 63 -27.014 15.526 -0.006 1.00 0.00 O ATOM 966 OD2 ASP A 63 -28.455 14.535 1.324 1.00 0.00 O ATOM 0 H ASP A 63 -24.205 14.429 3.474 1.00 0.00 H new ATOM 0 HA ASP A 63 -25.546 12.847 1.580 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -26.679 14.446 3.046 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -25.795 15.784 2.340 1.00 0.00 H new ATOM 971 N ASP A 64 -23.537 15.115 0.360 1.00 0.00 N ATOM 972 CA ASP A 64 -22.911 15.602 -0.864 1.00 0.00 C ATOM 973 C ASP A 64 -21.810 14.653 -1.326 1.00 0.00 C ATOM 974 O ASP A 64 -20.713 15.084 -1.681 1.00 0.00 O ATOM 975 CB ASP A 64 -22.335 17.002 -0.645 1.00 0.00 C ATOM 976 CG ASP A 64 -23.336 18.096 -0.965 1.00 0.00 C ATOM 977 OD1 ASP A 64 -24.242 17.849 -1.788 1.00 0.00 O ATOM 978 OD2 ASP A 64 -23.213 19.198 -0.391 1.00 0.00 O ATOM 0 H ASP A 64 -23.118 15.471 1.219 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.675 15.649 -1.640 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -22.012 17.101 0.391 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -21.450 17.129 -1.268 1.00 0.00 H new ATOM 983 N ALA A 65 -22.110 13.358 -1.318 1.00 0.00 N ATOM 984 CA ALA A 65 -21.146 12.348 -1.738 1.00 0.00 C ATOM 985 C ALA A 65 -20.450 12.758 -3.031 1.00 0.00 C ATOM 986 O ALA A 65 -19.222 12.815 -3.095 1.00 0.00 O ATOM 987 CB ALA A 65 -21.834 11.002 -1.910 1.00 0.00 C ATOM 0 H ALA A 65 -23.013 12.984 -1.025 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.387 12.259 -0.961 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.103 10.257 -2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -22.279 10.697 -0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -22.614 11.086 -2.667 1.00 0.00 H new ATOM 993 N VAL A 66 -21.242 13.042 -4.060 1.00 0.00 N ATOM 994 CA VAL A 66 -20.700 13.447 -5.352 1.00 0.00 C ATOM 995 C VAL A 66 -19.566 14.451 -5.183 1.00 0.00 C ATOM 996 O VAL A 66 -18.447 14.221 -5.641 1.00 0.00 O ATOM 997 CB VAL A 66 -21.790 14.066 -6.248 1.00 0.00 C ATOM 998 CG1 VAL A 66 -21.190 14.558 -7.556 1.00 0.00 C ATOM 999 CG2 VAL A 66 -22.901 13.060 -6.507 1.00 0.00 C ATOM 0 H VAL A 66 -22.260 12.999 -4.024 1.00 0.00 H new ATOM 0 HA VAL A 66 -20.315 12.546 -5.830 1.00 0.00 H new ATOM 0 HB VAL A 66 -22.220 14.922 -5.728 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -21.975 14.992 -8.176 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -20.433 15.314 -7.347 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -20.732 13.721 -8.084 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -23.662 13.514 -7.141 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -22.489 12.183 -7.006 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -23.349 12.761 -5.560 1.00 0.00 H new ATOM 1009 N GLU A 67 -19.863 15.565 -4.521 1.00 0.00 N ATOM 1010 CA GLU A 67 -18.867 16.605 -4.291 1.00 0.00 C ATOM 1011 C GLU A 67 -17.667 16.050 -3.528 1.00 0.00 C ATOM 1012 O GLU A 67 -16.520 16.247 -3.925 1.00 0.00 O ATOM 1013 CB GLU A 67 -19.484 17.771 -3.516 1.00 0.00 C ATOM 1014 CG GLU A 67 -20.585 18.492 -4.276 1.00 0.00 C ATOM 1015 CD GLU A 67 -20.068 19.215 -5.505 1.00 0.00 C ATOM 1016 OE1 GLU A 67 -19.356 20.228 -5.341 1.00 0.00 O ATOM 1017 OE2 GLU A 67 -20.376 18.768 -6.630 1.00 0.00 O ATOM 0 H GLU A 67 -20.784 15.770 -4.135 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.524 16.965 -5.261 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.888 17.398 -2.575 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.700 18.485 -3.265 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -21.346 17.772 -4.576 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -21.069 19.210 -3.613 1.00 0.00 H new ATOM 1024 N ASN A 68 -17.943 15.356 -2.428 1.00 0.00 N ATOM 1025 CA ASN A 68 -16.887 14.774 -1.608 1.00 0.00 C ATOM 1026 C ASN A 68 -15.923 13.956 -2.461 1.00 0.00 C ATOM 1027 O ASN A 68 -14.729 14.246 -2.517 1.00 0.00 O ATOM 1028 CB ASN A 68 -17.492 13.891 -0.514 1.00 0.00 C ATOM 1029 CG ASN A 68 -18.231 14.697 0.537 1.00 0.00 C ATOM 1030 OD1 ASN A 68 -17.903 15.856 0.791 1.00 0.00 O ATOM 1031 ND2 ASN A 68 -19.236 14.085 1.153 1.00 0.00 N ATOM 0 H ASN A 68 -18.888 15.183 -2.085 1.00 0.00 H new ATOM 0 HA ASN A 68 -16.331 15.589 -1.144 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -18.177 13.175 -0.967 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -16.699 13.315 -0.036 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.771 14.577 1.869 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -19.473 13.123 0.910 1.00 0.00 H new ATOM 1038 N ASN A 69 -16.451 12.933 -3.126 1.00 0.00 N ATOM 1039 CA ASN A 69 -15.637 12.073 -3.977 1.00 0.00 C ATOM 1040 C ASN A 69 -14.812 12.902 -4.957 1.00 0.00 C ATOM 1041 O ASN A 69 -13.587 12.961 -4.855 1.00 0.00 O ATOM 1042 CB ASN A 69 -16.526 11.092 -4.745 1.00 0.00 C ATOM 1043 CG ASN A 69 -16.967 9.920 -3.889 1.00 0.00 C ATOM 1044 OD1 ASN A 69 -16.146 9.258 -3.253 1.00 0.00 O ATOM 1045 ND2 ASN A 69 -18.268 9.658 -3.870 1.00 0.00 N ATOM 0 H ASN A 69 -17.438 12.680 -3.092 1.00 0.00 H new ATOM 0 HA ASN A 69 -14.955 11.512 -3.338 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -17.405 11.618 -5.117 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -15.985 10.720 -5.615 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -18.624 8.881 -3.313 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -18.912 10.233 -4.413 1.00 0.00 H new ATOM 1052 N GLN A 70 -15.492 13.539 -5.904 1.00 0.00 N ATOM 1053 CA GLN A 70 -14.821 14.364 -6.902 1.00 0.00 C ATOM 1054 C GLN A 70 -13.631 15.098 -6.291 1.00 0.00 C ATOM 1055 O GLN A 70 -12.538 15.109 -6.857 1.00 0.00 O ATOM 1056 CB GLN A 70 -15.802 15.372 -7.504 1.00 0.00 C ATOM 1057 CG GLN A 70 -15.480 15.749 -8.942 1.00 0.00 C ATOM 1058 CD GLN A 70 -15.201 14.540 -9.813 1.00 0.00 C ATOM 1059 OE1 GLN A 70 -13.933 14.155 -9.903 1.00 0.00 O flip ATOM 1060 NE2 GLN A 70 -16.114 13.960 -10.401 1.00 0.00 N flip ATOM 0 H GLN A 70 -16.507 13.500 -6.002 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.454 13.708 -7.692 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.809 14.956 -7.463 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -15.804 16.274 -6.892 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -16.315 16.310 -9.362 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -14.613 16.410 -8.955 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -17.074 14.290 -10.303 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -15.910 13.149 -10.986 1.00 0.00 H new ATOM 1069 N LEU A 71 -13.852 15.710 -5.133 1.00 0.00 N ATOM 1070 CA LEU A 71 -12.798 16.447 -4.444 1.00 0.00 C ATOM 1071 C LEU A 71 -11.602 15.545 -4.157 1.00 0.00 C ATOM 1072 O LEU A 71 -10.497 15.790 -4.641 1.00 0.00 O ATOM 1073 CB LEU A 71 -13.331 17.038 -3.138 1.00 0.00 C ATOM 1074 CG LEU A 71 -12.305 17.748 -2.254 1.00 0.00 C ATOM 1075 CD1 LEU A 71 -11.686 18.923 -2.994 1.00 0.00 C ATOM 1076 CD2 LEU A 71 -12.949 18.212 -0.956 1.00 0.00 C ATOM 0 H LEU A 71 -14.751 15.711 -4.651 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.471 17.258 -5.095 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -14.124 17.746 -3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.786 16.235 -2.558 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.513 17.040 -2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.958 19.416 -2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.188 18.564 -3.895 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.467 19.632 -3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.204 18.715 -0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.761 18.903 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.344 17.350 -0.417 1.00 0.00 H new ATOM 1088 N ALA A 72 -11.830 14.501 -3.367 1.00 0.00 N ATOM 1089 CA ALA A 72 -10.773 13.561 -3.019 1.00 0.00 C ATOM 1090 C ALA A 72 -9.998 13.123 -4.257 1.00 0.00 C ATOM 1091 O ALA A 72 -8.770 13.206 -4.295 1.00 0.00 O ATOM 1092 CB ALA A 72 -11.356 12.351 -2.305 1.00 0.00 C ATOM 0 H ALA A 72 -12.738 14.285 -2.956 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.079 14.066 -2.347 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.555 11.657 -2.051 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.859 12.674 -1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.073 11.854 -2.958 1.00 0.00 H new ATOM 1098 N PHE A 73 -10.722 12.656 -5.269 1.00 0.00 N ATOM 1099 CA PHE A 73 -10.102 12.204 -6.509 1.00 0.00 C ATOM 1100 C PHE A 73 -9.251 13.309 -7.126 1.00 0.00 C ATOM 1101 O PHE A 73 -8.102 13.084 -7.506 1.00 0.00 O ATOM 1102 CB PHE A 73 -11.172 11.752 -7.504 1.00 0.00 C ATOM 1103 CG PHE A 73 -12.013 10.612 -7.005 1.00 0.00 C ATOM 1104 CD1 PHE A 73 -11.441 9.577 -6.282 1.00 0.00 C ATOM 1105 CD2 PHE A 73 -13.374 10.573 -7.259 1.00 0.00 C ATOM 1106 CE1 PHE A 73 -12.211 8.526 -5.820 1.00 0.00 C ATOM 1107 CE2 PHE A 73 -14.149 9.525 -6.800 1.00 0.00 C ATOM 1108 CZ PHE A 73 -13.567 8.500 -6.081 1.00 0.00 C ATOM 0 H PHE A 73 -11.739 12.581 -5.255 1.00 0.00 H new ATOM 0 HA PHE A 73 -9.454 11.359 -6.275 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.821 12.597 -7.736 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.689 11.456 -8.435 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -10.381 9.592 -6.077 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -13.835 11.371 -7.822 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -11.753 7.727 -5.256 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -15.209 9.508 -7.004 1.00 0.00 H new ATOM 0 HZ PHE A 73 -14.171 7.679 -5.723 1.00 0.00 H new ATOM 1118 N ASP A 74 -9.824 14.504 -7.224 1.00 0.00 N ATOM 1119 CA ASP A 74 -9.119 15.646 -7.795 1.00 0.00 C ATOM 1120 C ASP A 74 -7.826 15.922 -7.035 1.00 0.00 C ATOM 1121 O ASP A 74 -6.738 15.894 -7.609 1.00 0.00 O ATOM 1122 CB ASP A 74 -10.013 16.887 -7.773 1.00 0.00 C ATOM 1123 CG ASP A 74 -10.894 16.988 -9.003 1.00 0.00 C ATOM 1124 OD1 ASP A 74 -11.208 15.934 -9.596 1.00 0.00 O ATOM 1125 OD2 ASP A 74 -11.269 18.120 -9.372 1.00 0.00 O ATOM 0 H ASP A 74 -10.775 14.707 -6.915 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.868 15.407 -8.828 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -10.640 16.864 -6.882 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -9.390 17.779 -7.702 1.00 0.00 H new ATOM 1130 N VAL A 75 -7.953 16.189 -5.739 1.00 0.00 N ATOM 1131 CA VAL A 75 -6.795 16.470 -4.899 1.00 0.00 C ATOM 1132 C VAL A 75 -5.694 15.438 -5.118 1.00 0.00 C ATOM 1133 O VAL A 75 -4.513 15.780 -5.184 1.00 0.00 O ATOM 1134 CB VAL A 75 -7.175 16.490 -3.407 1.00 0.00 C ATOM 1135 CG1 VAL A 75 -5.945 16.736 -2.546 1.00 0.00 C ATOM 1136 CG2 VAL A 75 -8.240 17.543 -3.143 1.00 0.00 C ATOM 0 H VAL A 75 -8.847 16.217 -5.248 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.428 17.455 -5.186 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.586 15.516 -3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.233 16.747 -1.495 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.218 15.942 -2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.502 17.696 -2.811 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.497 17.543 -2.084 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.859 18.525 -3.424 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.129 17.317 -3.732 1.00 0.00 H new ATOM 1146 N ALA A 76 -6.089 14.175 -5.231 1.00 0.00 N ATOM 1147 CA ALA A 76 -5.136 13.093 -5.445 1.00 0.00 C ATOM 1148 C ALA A 76 -4.473 13.208 -6.814 1.00 0.00 C ATOM 1149 O ALA A 76 -3.301 12.870 -6.976 1.00 0.00 O ATOM 1150 CB ALA A 76 -5.827 11.745 -5.303 1.00 0.00 C ATOM 0 H ALA A 76 -7.063 13.875 -5.178 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.358 13.172 -4.686 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.103 10.946 -5.465 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.248 11.655 -4.301 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.626 11.666 -6.040 1.00 0.00 H new ATOM 1156 N GLU A 77 -5.232 13.686 -7.795 1.00 0.00 N ATOM 1157 CA GLU A 77 -4.718 13.843 -9.150 1.00 0.00 C ATOM 1158 C GLU A 77 -3.893 15.121 -9.275 1.00 0.00 C ATOM 1159 O GLU A 77 -3.141 15.297 -10.233 1.00 0.00 O ATOM 1160 CB GLU A 77 -5.869 13.866 -10.158 1.00 0.00 C ATOM 1161 CG GLU A 77 -5.494 13.315 -11.523 1.00 0.00 C ATOM 1162 CD GLU A 77 -4.536 14.220 -12.274 1.00 0.00 C ATOM 1163 OE1 GLU A 77 -4.815 15.433 -12.367 1.00 0.00 O ATOM 1164 OE2 GLU A 77 -3.508 13.713 -12.769 1.00 0.00 O ATOM 0 H GLU A 77 -6.204 13.971 -7.677 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.073 12.991 -9.366 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.702 13.288 -9.759 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.219 14.892 -10.273 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.039 12.332 -11.401 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.398 13.177 -12.116 1.00 0.00 H new ATOM 1171 N ARG A 78 -4.041 16.011 -8.298 1.00 0.00 N ATOM 1172 CA ARG A 78 -3.313 17.274 -8.298 1.00 0.00 C ATOM 1173 C ARG A 78 -2.081 17.190 -7.402 1.00 0.00 C ATOM 1174 O ARG A 78 -1.091 17.887 -7.625 1.00 0.00 O ATOM 1175 CB ARG A 78 -4.222 18.411 -7.830 1.00 0.00 C ATOM 1176 CG ARG A 78 -5.455 18.602 -8.697 1.00 0.00 C ATOM 1177 CD ARG A 78 -6.382 19.662 -8.123 1.00 0.00 C ATOM 1178 NE ARG A 78 -7.203 20.289 -9.155 1.00 0.00 N ATOM 1179 CZ ARG A 78 -7.833 21.446 -8.991 1.00 0.00 C ATOM 1180 NH1 ARG A 78 -7.736 22.100 -7.841 1.00 0.00 N ATOM 1181 NH2 ARG A 78 -8.562 21.952 -9.977 1.00 0.00 N ATOM 0 H ARG A 78 -4.658 15.880 -7.497 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.986 17.477 -9.318 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.536 18.215 -6.805 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.651 19.339 -7.816 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.152 18.889 -9.704 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.991 17.657 -8.783 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.028 19.209 -7.371 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.791 20.425 -7.617 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.298 19.812 -10.051 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.176 21.714 -7.080 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.221 22.989 -7.717 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.639 21.452 -10.863 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.045 22.841 -9.849 1.00 0.00 H new ATOM 1195 N GLU A 79 -2.150 16.334 -6.387 1.00 0.00 N ATOM 1196 CA GLU A 79 -1.040 16.161 -5.457 1.00 0.00 C ATOM 1197 C GLU A 79 -0.310 14.848 -5.719 1.00 0.00 C ATOM 1198 O GLU A 79 0.902 14.830 -5.932 1.00 0.00 O ATOM 1199 CB GLU A 79 -1.546 16.198 -4.013 1.00 0.00 C ATOM 1200 CG GLU A 79 -1.828 17.601 -3.502 1.00 0.00 C ATOM 1201 CD GLU A 79 -0.565 18.347 -3.120 1.00 0.00 C ATOM 1202 OE1 GLU A 79 0.232 17.801 -2.329 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -0.373 19.479 -3.614 1.00 0.00 O ATOM 0 H GLU A 79 -2.962 15.750 -6.188 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.339 16.982 -5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.457 15.604 -3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.807 15.727 -3.366 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.360 18.163 -4.270 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.487 17.543 -2.636 1.00 0.00 H new ATOM 1210 N PHE A 80 -1.057 13.748 -5.701 1.00 0.00 N ATOM 1211 CA PHE A 80 -0.481 12.429 -5.934 1.00 0.00 C ATOM 1212 C PHE A 80 -0.367 12.142 -7.429 1.00 0.00 C ATOM 1213 O PHE A 80 0.411 11.288 -7.850 1.00 0.00 O ATOM 1214 CB PHE A 80 -1.333 11.351 -5.261 1.00 0.00 C ATOM 1215 CG PHE A 80 -1.658 11.654 -3.826 1.00 0.00 C ATOM 1216 CD1 PHE A 80 -0.655 11.983 -2.929 1.00 0.00 C ATOM 1217 CD2 PHE A 80 -2.967 11.611 -3.374 1.00 0.00 C ATOM 1218 CE1 PHE A 80 -0.951 12.261 -1.608 1.00 0.00 C ATOM 1219 CE2 PHE A 80 -3.270 11.888 -2.055 1.00 0.00 C ATOM 1220 CZ PHE A 80 -2.261 12.215 -1.171 1.00 0.00 C ATOM 0 H PHE A 80 -2.062 13.745 -5.527 1.00 0.00 H new ATOM 0 HA PHE A 80 0.519 12.415 -5.501 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -2.262 11.233 -5.819 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.807 10.398 -5.313 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.370 12.023 -3.266 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.760 11.358 -4.062 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.159 12.514 -0.918 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.295 11.849 -1.716 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.495 12.434 -0.140 1.00 0.00 H new ATOM 1230 N GLY A 81 -1.150 12.864 -8.225 1.00 0.00 N ATOM 1231 CA GLY A 81 -1.122 12.673 -9.664 1.00 0.00 C ATOM 1232 C GLY A 81 -1.690 11.330 -10.081 1.00 0.00 C ATOM 1233 O GLY A 81 -1.196 10.705 -11.020 1.00 0.00 O ATOM 0 H GLY A 81 -1.803 13.577 -7.900 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.690 13.470 -10.144 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.095 12.756 -10.019 1.00 0.00 H new ATOM 1237 N ILE A 82 -2.729 10.886 -9.382 1.00 0.00 N ATOM 1238 CA ILE A 82 -3.363 9.609 -9.685 1.00 0.00 C ATOM 1239 C ILE A 82 -4.739 9.813 -10.309 1.00 0.00 C ATOM 1240 O ILE A 82 -5.612 10.472 -9.745 1.00 0.00 O ATOM 1241 CB ILE A 82 -3.508 8.739 -8.422 1.00 0.00 C ATOM 1242 CG1 ILE A 82 -2.136 8.466 -7.803 1.00 0.00 C ATOM 1243 CG2 ILE A 82 -4.213 7.433 -8.758 1.00 0.00 C ATOM 1244 CD1 ILE A 82 -2.204 7.747 -6.474 1.00 0.00 C ATOM 0 H ILE A 82 -3.150 11.392 -8.602 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.716 9.096 -10.397 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.112 9.280 -7.694 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.545 7.871 -8.499 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.613 9.413 -7.668 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.308 6.828 -7.856 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.204 7.647 -9.158 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.632 6.887 -9.501 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.195 7.587 -6.095 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.768 8.350 -5.762 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.699 6.785 -6.606 1.00 0.00 H new ATOM 1256 N PRO A 83 -4.939 9.233 -11.502 1.00 0.00 N ATOM 1257 CA PRO A 83 -6.209 9.335 -12.228 1.00 0.00 C ATOM 1258 C PRO A 83 -7.329 8.554 -11.550 1.00 0.00 C ATOM 1259 O PRO A 83 -7.132 7.446 -11.052 1.00 0.00 O ATOM 1260 CB PRO A 83 -5.885 8.728 -13.596 1.00 0.00 C ATOM 1261 CG PRO A 83 -4.744 7.804 -13.339 1.00 0.00 C ATOM 1262 CD PRO A 83 -3.943 8.433 -12.233 1.00 0.00 C ATOM 0 HA PRO A 83 -6.569 10.363 -12.277 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.743 8.194 -14.005 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -5.615 9.499 -14.318 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -5.100 6.815 -13.049 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.137 7.674 -14.235 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -3.483 7.681 -11.592 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -3.137 9.054 -12.624 1.00 0.00 H new ATOM 1270 N PRO A 84 -8.534 9.142 -11.531 1.00 0.00 N ATOM 1271 CA PRO A 84 -9.710 8.518 -10.918 1.00 0.00 C ATOM 1272 C PRO A 84 -10.204 7.311 -11.708 1.00 0.00 C ATOM 1273 O PRO A 84 -10.006 7.226 -12.920 1.00 0.00 O ATOM 1274 CB PRO A 84 -10.756 9.635 -10.939 1.00 0.00 C ATOM 1275 CG PRO A 84 -10.344 10.519 -12.064 1.00 0.00 C ATOM 1276 CD PRO A 84 -8.842 10.462 -12.106 1.00 0.00 C ATOM 0 HA PRO A 84 -9.495 8.136 -9.920 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.758 9.236 -11.096 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.774 10.179 -9.994 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.774 10.178 -13.006 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.692 11.540 -11.906 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.465 10.554 -13.124 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.393 11.268 -11.525 1.00 0.00 H new ATOM 1284 N VAL A 85 -10.848 6.378 -11.014 1.00 0.00 N ATOM 1285 CA VAL A 85 -11.372 5.176 -11.651 1.00 0.00 C ATOM 1286 C VAL A 85 -12.857 5.322 -11.964 1.00 0.00 C ATOM 1287 O VAL A 85 -13.352 4.778 -12.952 1.00 0.00 O ATOM 1288 CB VAL A 85 -11.165 3.934 -10.763 1.00 0.00 C ATOM 1289 CG1 VAL A 85 -9.683 3.693 -10.519 1.00 0.00 C ATOM 1290 CG2 VAL A 85 -11.912 4.090 -9.448 1.00 0.00 C ATOM 0 H VAL A 85 -11.019 6.432 -10.010 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.819 5.045 -12.581 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.569 3.065 -11.283 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -9.556 2.812 -9.890 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -9.178 3.534 -11.472 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -9.251 4.560 -10.020 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.755 3.204 -8.833 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.540 4.968 -8.920 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.977 4.210 -9.647 1.00 0.00 H new ATOM 1300 N THR A 86 -13.565 6.061 -11.115 1.00 0.00 N ATOM 1301 CA THR A 86 -14.994 6.278 -11.299 1.00 0.00 C ATOM 1302 C THR A 86 -15.371 7.727 -11.010 1.00 0.00 C ATOM 1303 O THR A 86 -14.616 8.461 -10.372 1.00 0.00 O ATOM 1304 CB THR A 86 -15.825 5.352 -10.392 1.00 0.00 C ATOM 1305 OG1 THR A 86 -17.217 5.484 -10.701 1.00 0.00 O ATOM 1306 CG2 THR A 86 -15.592 5.681 -8.925 1.00 0.00 C ATOM 0 H THR A 86 -13.171 6.519 -10.293 1.00 0.00 H new ATOM 0 HA THR A 86 -15.217 6.048 -12.341 1.00 0.00 H new ATOM 0 HB THR A 86 -15.510 4.324 -10.572 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.739 4.891 -10.121 1.00 0.00 H new ATOM 0 HG21 THR A 86 -16.189 5.014 -8.303 1.00 0.00 H new ATOM 0 HG22 THR A 86 -14.536 5.551 -8.686 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.883 6.714 -8.733 1.00 0.00 H new ATOM 1314 N THR A 87 -16.546 8.133 -11.482 1.00 0.00 N ATOM 1315 CA THR A 87 -17.023 9.494 -11.274 1.00 0.00 C ATOM 1316 C THR A 87 -17.825 9.604 -9.982 1.00 0.00 C ATOM 1317 O THR A 87 -18.605 8.715 -9.646 1.00 0.00 O ATOM 1318 CB THR A 87 -17.899 9.968 -12.449 1.00 0.00 C ATOM 1319 OG1 THR A 87 -18.923 9.004 -12.718 1.00 0.00 O ATOM 1320 CG2 THR A 87 -17.057 10.183 -13.698 1.00 0.00 C ATOM 0 H THR A 87 -17.184 7.538 -12.011 1.00 0.00 H new ATOM 0 HA THR A 87 -16.141 10.131 -11.207 1.00 0.00 H new ATOM 0 HB THR A 87 -18.359 10.916 -12.171 1.00 0.00 H new ATOM 0 HG1 THR A 87 -19.476 9.314 -13.465 1.00 0.00 H new ATOM 0 HG21 THR A 87 -17.697 10.517 -14.515 1.00 0.00 H new ATOM 0 HG22 THR A 87 -16.297 10.939 -13.499 1.00 0.00 H new ATOM 0 HG23 THR A 87 -16.573 9.247 -13.976 1.00 0.00 H new ATOM 1328 N GLY A 88 -17.627 10.703 -9.260 1.00 0.00 N ATOM 1329 CA GLY A 88 -18.339 10.910 -8.012 1.00 0.00 C ATOM 1330 C GLY A 88 -19.811 10.563 -8.121 1.00 0.00 C ATOM 1331 O GLY A 88 -20.405 10.040 -7.178 1.00 0.00 O ATOM 0 H GLY A 88 -16.986 11.454 -9.517 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.882 10.302 -7.231 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -18.236 11.951 -7.706 1.00 0.00 H new ATOM 1335 N LYS A 89 -20.403 10.856 -9.274 1.00 0.00 N ATOM 1336 CA LYS A 89 -21.814 10.573 -9.504 1.00 0.00 C ATOM 1337 C LYS A 89 -22.088 9.074 -9.429 1.00 0.00 C ATOM 1338 O LYS A 89 -22.990 8.634 -8.718 1.00 0.00 O ATOM 1339 CB LYS A 89 -22.249 11.114 -10.867 1.00 0.00 C ATOM 1340 CG LYS A 89 -22.761 12.543 -10.819 1.00 0.00 C ATOM 1341 CD LYS A 89 -22.595 13.241 -12.159 1.00 0.00 C ATOM 1342 CE LYS A 89 -21.148 13.637 -12.406 1.00 0.00 C ATOM 1343 NZ LYS A 89 -20.999 14.452 -13.643 1.00 0.00 N ATOM 0 H LYS A 89 -19.926 11.290 -10.064 1.00 0.00 H new ATOM 0 HA LYS A 89 -22.390 11.069 -8.723 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -21.405 11.062 -11.555 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -23.030 10.470 -11.271 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -23.813 12.544 -10.535 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -22.223 13.097 -10.050 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -22.934 12.582 -12.958 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -23.226 14.129 -12.188 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -20.775 14.202 -11.552 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -20.535 12.740 -12.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -19.998 14.702 -13.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -21.331 13.904 -14.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -21.564 15.321 -13.556 1.00 0.00 H new ATOM 1357 N GLU A 90 -21.302 8.296 -10.168 1.00 0.00 N ATOM 1358 CA GLU A 90 -21.461 6.847 -10.184 1.00 0.00 C ATOM 1359 C GLU A 90 -21.066 6.242 -8.839 1.00 0.00 C ATOM 1360 O GLU A 90 -21.711 5.314 -8.352 1.00 0.00 O ATOM 1361 CB GLU A 90 -20.615 6.231 -11.300 1.00 0.00 C ATOM 1362 CG GLU A 90 -21.108 4.869 -11.757 1.00 0.00 C ATOM 1363 CD GLU A 90 -22.406 4.949 -12.537 1.00 0.00 C ATOM 1364 OE1 GLU A 90 -22.482 5.764 -13.481 1.00 0.00 O ATOM 1365 OE2 GLU A 90 -23.345 4.197 -12.204 1.00 0.00 O ATOM 0 H GLU A 90 -20.550 8.645 -10.762 1.00 0.00 H new ATOM 0 HA GLU A 90 -22.512 6.624 -10.369 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -20.605 6.909 -12.153 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -19.585 6.138 -10.955 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -20.344 4.400 -12.377 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -21.250 4.228 -10.887 1.00 0.00 H new ATOM 1372 N MET A 91 -20.002 6.774 -8.247 1.00 0.00 N ATOM 1373 CA MET A 91 -19.522 6.287 -6.959 1.00 0.00 C ATOM 1374 C MET A 91 -20.655 6.238 -5.939 1.00 0.00 C ATOM 1375 O MET A 91 -20.788 5.271 -5.190 1.00 0.00 O ATOM 1376 CB MET A 91 -18.392 7.179 -6.441 1.00 0.00 C ATOM 1377 CG MET A 91 -17.633 6.579 -5.269 1.00 0.00 C ATOM 1378 SD MET A 91 -16.763 5.062 -5.708 1.00 0.00 S ATOM 1379 CE MET A 91 -17.691 3.855 -4.764 1.00 0.00 C ATOM 0 H MET A 91 -19.456 7.542 -8.638 1.00 0.00 H new ATOM 0 HA MET A 91 -19.141 5.276 -7.101 1.00 0.00 H new ATOM 0 HB2 MET A 91 -17.693 7.375 -7.254 1.00 0.00 H new ATOM 0 HB3 MET A 91 -18.808 8.140 -6.140 1.00 0.00 H new ATOM 0 HG2 MET A 91 -16.916 7.309 -4.894 1.00 0.00 H new ATOM 0 HG3 MET A 91 -18.331 6.371 -4.458 1.00 0.00 H new ATOM 0 HE1 MET A 91 -17.444 2.852 -5.113 1.00 0.00 H new ATOM 0 HE2 MET A 91 -17.436 3.945 -3.708 1.00 0.00 H new ATOM 0 HE3 MET A 91 -18.758 4.033 -4.896 1.00 0.00 H new ATOM 1389 N ALA A 92 -21.470 7.289 -5.916 1.00 0.00 N ATOM 1390 CA ALA A 92 -22.592 7.364 -4.989 1.00 0.00 C ATOM 1391 C ALA A 92 -23.836 6.706 -5.578 1.00 0.00 C ATOM 1392 O ALA A 92 -24.590 6.039 -4.870 1.00 0.00 O ATOM 1393 CB ALA A 92 -22.881 8.814 -4.627 1.00 0.00 C ATOM 0 H ALA A 92 -21.374 8.099 -6.528 1.00 0.00 H new ATOM 0 HA ALA A 92 -22.320 6.822 -4.083 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -23.721 8.855 -3.934 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -22.001 9.254 -4.157 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -23.128 9.372 -5.530 1.00 0.00 H new ATOM 1399 N SER A 93 -24.043 6.900 -6.876 1.00 0.00 N ATOM 1400 CA SER A 93 -25.198 6.329 -7.559 1.00 0.00 C ATOM 1401 C SER A 93 -25.184 4.806 -7.470 1.00 0.00 C ATOM 1402 O SER A 93 -26.096 4.197 -6.912 1.00 0.00 O ATOM 1403 CB SER A 93 -25.218 6.765 -9.025 1.00 0.00 C ATOM 1404 OG SER A 93 -25.941 7.973 -9.188 1.00 0.00 O ATOM 0 H SER A 93 -23.426 7.448 -7.476 1.00 0.00 H new ATOM 0 HA SER A 93 -26.098 6.696 -7.066 1.00 0.00 H new ATOM 0 HB2 SER A 93 -24.197 6.898 -9.382 1.00 0.00 H new ATOM 0 HB3 SER A 93 -25.670 5.982 -9.634 1.00 0.00 H new ATOM 0 HG SER A 93 -25.321 8.732 -9.158 1.00 0.00 H new ATOM 1410 N ALA A 94 -24.141 4.197 -8.025 1.00 0.00 N ATOM 1411 CA ALA A 94 -24.005 2.746 -8.007 1.00 0.00 C ATOM 1412 C ALA A 94 -24.184 2.195 -6.597 1.00 0.00 C ATOM 1413 O ALA A 94 -23.398 2.496 -5.699 1.00 0.00 O ATOM 1414 CB ALA A 94 -22.652 2.335 -8.568 1.00 0.00 C ATOM 0 H ALA A 94 -23.378 4.686 -8.493 1.00 0.00 H new ATOM 0 HA ALA A 94 -24.790 2.325 -8.636 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -22.565 1.249 -8.548 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -22.562 2.688 -9.595 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.859 2.774 -7.963 1.00 0.00 H new ATOM 1420 N GLN A 95 -25.223 1.388 -6.409 1.00 0.00 N ATOM 1421 CA GLN A 95 -25.505 0.797 -5.106 1.00 0.00 C ATOM 1422 C GLN A 95 -24.263 0.120 -4.535 1.00 0.00 C ATOM 1423 O GLN A 95 -23.803 0.465 -3.447 1.00 0.00 O ATOM 1424 CB GLN A 95 -26.646 -0.216 -5.219 1.00 0.00 C ATOM 1425 CG GLN A 95 -27.926 0.370 -5.791 1.00 0.00 C ATOM 1426 CD GLN A 95 -29.169 -0.333 -5.282 1.00 0.00 C ATOM 1427 OE1 GLN A 95 -29.899 -0.962 -6.049 1.00 0.00 O ATOM 1428 NE2 GLN A 95 -29.417 -0.231 -3.982 1.00 0.00 N ATOM 0 H GLN A 95 -25.883 1.128 -7.142 1.00 0.00 H new ATOM 0 HA GLN A 95 -25.804 1.597 -4.429 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -26.323 -1.045 -5.848 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -26.854 -0.627 -4.231 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -27.982 1.428 -5.536 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -27.896 0.305 -6.879 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -28.785 0.300 -3.382 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -30.239 -0.684 -3.583 1.00 0.00 H new ATOM 1437 N GLU A 96 -23.727 -0.844 -5.276 1.00 0.00 N ATOM 1438 CA GLU A 96 -22.539 -1.569 -4.841 1.00 0.00 C ATOM 1439 C GLU A 96 -21.461 -1.545 -5.921 1.00 0.00 C ATOM 1440 O GLU A 96 -21.552 -2.229 -6.940 1.00 0.00 O ATOM 1441 CB GLU A 96 -22.896 -3.016 -4.494 1.00 0.00 C ATOM 1442 CG GLU A 96 -21.732 -3.810 -3.926 1.00 0.00 C ATOM 1443 CD GLU A 96 -22.011 -5.300 -3.874 1.00 0.00 C ATOM 1444 OE1 GLU A 96 -22.717 -5.740 -2.943 1.00 0.00 O ATOM 1445 OE2 GLU A 96 -21.525 -6.025 -4.767 1.00 0.00 O ATOM 0 H GLU A 96 -24.096 -1.141 -6.179 1.00 0.00 H new ATOM 0 HA GLU A 96 -22.149 -1.075 -3.951 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.712 -3.017 -3.772 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -23.263 -3.516 -5.390 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -20.845 -3.631 -4.533 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -21.508 -3.451 -2.921 1.00 0.00 H new ATOM 1452 N PRO A 97 -20.415 -0.736 -5.694 1.00 0.00 N ATOM 1453 CA PRO A 97 -19.299 -0.602 -6.636 1.00 0.00 C ATOM 1454 C PRO A 97 -18.439 -1.860 -6.698 1.00 0.00 C ATOM 1455 O PRO A 97 -18.673 -2.820 -5.965 1.00 0.00 O ATOM 1456 CB PRO A 97 -18.494 0.569 -6.067 1.00 0.00 C ATOM 1457 CG PRO A 97 -18.817 0.579 -4.613 1.00 0.00 C ATOM 1458 CD PRO A 97 -20.240 0.109 -4.501 1.00 0.00 C ATOM 0 HA PRO A 97 -19.644 -0.443 -7.658 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -17.425 0.433 -6.234 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.774 1.510 -6.541 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -18.145 -0.077 -4.060 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.702 1.579 -4.195 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -20.406 -0.453 -3.582 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -20.940 0.945 -4.494 1.00 0.00 H new ATOM 1466 N ASP A 98 -17.444 -1.847 -7.578 1.00 0.00 N ATOM 1467 CA ASP A 98 -16.547 -2.987 -7.735 1.00 0.00 C ATOM 1468 C ASP A 98 -15.520 -3.029 -6.608 1.00 0.00 C ATOM 1469 O ASP A 98 -15.033 -1.992 -6.157 1.00 0.00 O ATOM 1470 CB ASP A 98 -15.836 -2.921 -9.087 1.00 0.00 C ATOM 1471 CG ASP A 98 -16.762 -3.244 -10.244 1.00 0.00 C ATOM 1472 OD1 ASP A 98 -17.760 -2.516 -10.426 1.00 0.00 O ATOM 1473 OD2 ASP A 98 -16.487 -4.223 -10.968 1.00 0.00 O ATOM 0 H ASP A 98 -17.238 -1.060 -8.194 1.00 0.00 H new ATOM 0 HA ASP A 98 -17.145 -3.897 -7.692 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.419 -1.924 -9.227 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.999 -3.620 -9.089 1.00 0.00 H new ATOM 1478 N LYS A 99 -15.195 -4.236 -6.155 1.00 0.00 N ATOM 1479 CA LYS A 99 -14.226 -4.415 -5.081 1.00 0.00 C ATOM 1480 C LYS A 99 -12.801 -4.264 -5.603 1.00 0.00 C ATOM 1481 O LYS A 99 -11.906 -3.829 -4.877 1.00 0.00 O ATOM 1482 CB LYS A 99 -14.400 -5.791 -4.434 1.00 0.00 C ATOM 1483 CG LYS A 99 -14.093 -6.947 -5.370 1.00 0.00 C ATOM 1484 CD LYS A 99 -13.684 -8.192 -4.603 1.00 0.00 C ATOM 1485 CE LYS A 99 -14.895 -9.009 -4.179 1.00 0.00 C ATOM 1486 NZ LYS A 99 -15.704 -8.306 -3.145 1.00 0.00 N ATOM 0 H LYS A 99 -15.589 -5.105 -6.516 1.00 0.00 H new ATOM 0 HA LYS A 99 -14.404 -3.643 -4.333 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.749 -5.858 -3.562 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -15.425 -5.887 -4.075 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -14.970 -7.166 -5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.294 -6.661 -6.053 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.030 -8.804 -5.224 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.110 -7.905 -3.722 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -15.518 -9.214 -5.050 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.565 -9.972 -3.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -16.142 -9.005 -2.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -15.089 -7.676 -2.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -16.447 -7.745 -3.608 1.00 0.00 H new ATOM 1500 N LEU A 100 -12.597 -4.623 -6.866 1.00 0.00 N ATOM 1501 CA LEU A 100 -11.280 -4.526 -7.486 1.00 0.00 C ATOM 1502 C LEU A 100 -10.925 -3.073 -7.785 1.00 0.00 C ATOM 1503 O LEU A 100 -9.989 -2.521 -7.207 1.00 0.00 O ATOM 1504 CB LEU A 100 -11.240 -5.349 -8.775 1.00 0.00 C ATOM 1505 CG LEU A 100 -9.918 -5.327 -9.544 1.00 0.00 C ATOM 1506 CD1 LEU A 100 -8.748 -5.150 -8.588 1.00 0.00 C ATOM 1507 CD2 LEU A 100 -9.755 -6.600 -10.360 1.00 0.00 C ATOM 0 H LEU A 100 -13.327 -4.984 -7.481 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.545 -4.923 -6.786 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.477 -6.384 -8.529 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.028 -4.990 -9.437 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.932 -4.480 -10.229 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.816 -5.137 -9.153 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.859 -4.210 -8.048 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.730 -5.977 -7.878 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.809 -6.567 -10.901 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.762 -7.463 -9.694 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.577 -6.684 -11.071 1.00 0.00 H new ATOM 1519 N SER A 101 -11.680 -2.459 -8.690 1.00 0.00 N ATOM 1520 CA SER A 101 -11.445 -1.070 -9.067 1.00 0.00 C ATOM 1521 C SER A 101 -11.115 -0.223 -7.842 1.00 0.00 C ATOM 1522 O SER A 101 -10.233 0.635 -7.886 1.00 0.00 O ATOM 1523 CB SER A 101 -12.671 -0.498 -9.781 1.00 0.00 C ATOM 1524 OG SER A 101 -12.790 -1.026 -11.091 1.00 0.00 O ATOM 0 H SER A 101 -12.460 -2.902 -9.176 1.00 0.00 H new ATOM 0 HA SER A 101 -10.593 -1.043 -9.746 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.570 -0.729 -9.209 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.594 0.588 -9.829 1.00 0.00 H new ATOM 0 HG SER A 101 -13.582 -0.646 -11.526 1.00 0.00 H new ATOM 1530 N MET A 102 -11.830 -0.471 -6.749 1.00 0.00 N ATOM 1531 CA MET A 102 -11.613 0.268 -5.511 1.00 0.00 C ATOM 1532 C MET A 102 -10.196 0.051 -4.989 1.00 0.00 C ATOM 1533 O MET A 102 -9.438 1.004 -4.806 1.00 0.00 O ATOM 1534 CB MET A 102 -12.630 -0.160 -4.451 1.00 0.00 C ATOM 1535 CG MET A 102 -13.950 0.588 -4.538 1.00 0.00 C ATOM 1536 SD MET A 102 -13.957 2.099 -3.554 1.00 0.00 S ATOM 1537 CE MET A 102 -12.762 3.091 -4.446 1.00 0.00 C ATOM 0 H MET A 102 -12.564 -1.177 -6.696 1.00 0.00 H new ATOM 0 HA MET A 102 -11.745 1.329 -5.723 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.820 -1.229 -4.552 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.199 -0.005 -3.462 1.00 0.00 H new ATOM 0 HG2 MET A 102 -14.155 0.836 -5.579 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.756 -0.064 -4.201 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.882 4.139 -4.172 1.00 0.00 H new ATOM 0 HE2 MET A 102 -11.754 2.762 -4.192 1.00 0.00 H new ATOM 0 HE3 MET A 102 -12.922 2.976 -5.518 1.00 0.00 H new ATOM 1547 N VAL A 103 -9.844 -1.209 -4.752 1.00 0.00 N ATOM 1548 CA VAL A 103 -8.517 -1.551 -4.252 1.00 0.00 C ATOM 1549 C VAL A 103 -7.427 -0.938 -5.124 1.00 0.00 C ATOM 1550 O VAL A 103 -6.670 -0.078 -4.676 1.00 0.00 O ATOM 1551 CB VAL A 103 -8.316 -3.076 -4.194 1.00 0.00 C ATOM 1552 CG1 VAL A 103 -6.884 -3.412 -3.805 1.00 0.00 C ATOM 1553 CG2 VAL A 103 -9.302 -3.707 -3.222 1.00 0.00 C ATOM 0 H VAL A 103 -10.459 -2.010 -4.898 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.443 -1.144 -3.244 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.504 -3.487 -5.186 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -6.761 -4.494 -3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.199 -2.993 -4.542 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -6.665 -2.989 -2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.146 -4.785 -3.194 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.148 -3.292 -2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.320 -3.497 -3.549 1.00 0.00 H new ATOM 1563 N MET A 104 -7.353 -1.388 -6.373 1.00 0.00 N ATOM 1564 CA MET A 104 -6.356 -0.882 -7.309 1.00 0.00 C ATOM 1565 C MET A 104 -6.106 0.606 -7.087 1.00 0.00 C ATOM 1566 O MET A 104 -4.994 1.095 -7.283 1.00 0.00 O ATOM 1567 CB MET A 104 -6.808 -1.126 -8.750 1.00 0.00 C ATOM 1568 CG MET A 104 -8.105 -0.419 -9.108 1.00 0.00 C ATOM 1569 SD MET A 104 -8.379 -0.329 -10.888 1.00 0.00 S ATOM 1570 CE MET A 104 -8.407 -2.069 -11.314 1.00 0.00 C ATOM 0 H MET A 104 -7.971 -2.101 -6.760 1.00 0.00 H new ATOM 0 HA MET A 104 -5.424 -1.418 -7.132 1.00 0.00 H new ATOM 0 HB2 MET A 104 -6.023 -0.794 -9.429 1.00 0.00 H new ATOM 0 HB3 MET A 104 -6.933 -2.197 -8.907 1.00 0.00 H new ATOM 0 HG2 MET A 104 -8.940 -0.942 -8.642 1.00 0.00 H new ATOM 0 HG3 MET A 104 -8.090 0.590 -8.695 1.00 0.00 H new ATOM 0 HE1 MET A 104 -9.197 -2.253 -12.043 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.446 -2.355 -11.741 1.00 0.00 H new ATOM 0 HE3 MET A 104 -8.596 -2.660 -10.418 1.00 0.00 H new ATOM 1580 N TYR A 105 -7.148 1.321 -6.677 1.00 0.00 N ATOM 1581 CA TYR A 105 -7.042 2.754 -6.431 1.00 0.00 C ATOM 1582 C TYR A 105 -6.517 3.028 -5.025 1.00 0.00 C ATOM 1583 O TYR A 105 -5.672 3.902 -4.824 1.00 0.00 O ATOM 1584 CB TYR A 105 -8.403 3.427 -6.618 1.00 0.00 C ATOM 1585 CG TYR A 105 -8.327 4.935 -6.701 1.00 0.00 C ATOM 1586 CD1 TYR A 105 -8.009 5.569 -7.895 1.00 0.00 C ATOM 1587 CD2 TYR A 105 -8.573 5.725 -5.585 1.00 0.00 C ATOM 1588 CE1 TYR A 105 -7.937 6.946 -7.975 1.00 0.00 C ATOM 1589 CE2 TYR A 105 -8.505 7.102 -5.656 1.00 0.00 C ATOM 1590 CZ TYR A 105 -8.187 7.709 -6.853 1.00 0.00 C ATOM 1591 OH TYR A 105 -8.117 9.081 -6.928 1.00 0.00 O ATOM 0 H TYR A 105 -8.075 0.931 -6.508 1.00 0.00 H new ATOM 0 HA TYR A 105 -6.336 3.169 -7.151 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -8.866 3.044 -7.528 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.053 3.150 -5.788 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -7.815 4.975 -8.776 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -8.822 5.254 -4.646 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.686 7.423 -8.911 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -8.700 7.701 -4.779 1.00 0.00 H new ATOM 0 HH TYR A 105 -8.321 9.467 -6.051 1.00 0.00 H new ATOM 1601 N LEU A 106 -7.022 2.275 -4.054 1.00 0.00 N ATOM 1602 CA LEU A 106 -6.604 2.434 -2.666 1.00 0.00 C ATOM 1603 C LEU A 106 -5.128 2.090 -2.499 1.00 0.00 C ATOM 1604 O LEU A 106 -4.367 2.850 -1.900 1.00 0.00 O ATOM 1605 CB LEU A 106 -7.453 1.549 -1.752 1.00 0.00 C ATOM 1606 CG LEU A 106 -8.933 1.917 -1.647 1.00 0.00 C ATOM 1607 CD1 LEU A 106 -9.754 0.711 -1.217 1.00 0.00 C ATOM 1608 CD2 LEU A 106 -9.128 3.071 -0.674 1.00 0.00 C ATOM 0 H LEU A 106 -7.722 1.548 -4.203 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.748 3.478 -2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.379 0.520 -2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.021 1.574 -0.752 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.279 2.234 -2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.805 0.992 -1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.640 -0.087 -1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.407 0.363 -0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.187 3.319 -0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.765 2.781 0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.571 3.940 -1.024 1.00 0.00 H new ATOM 1620 N SER A 107 -4.729 0.940 -3.034 1.00 0.00 N ATOM 1621 CA SER A 107 -3.344 0.494 -2.943 1.00 0.00 C ATOM 1622 C SER A 107 -2.384 1.633 -3.272 1.00 0.00 C ATOM 1623 O SER A 107 -1.463 1.926 -2.509 1.00 0.00 O ATOM 1624 CB SER A 107 -3.101 -0.682 -3.890 1.00 0.00 C ATOM 1625 OG SER A 107 -3.286 -0.296 -5.241 1.00 0.00 O ATOM 0 H SER A 107 -5.346 0.300 -3.535 1.00 0.00 H new ATOM 0 HA SER A 107 -3.159 0.170 -1.919 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.088 -1.061 -3.752 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.782 -1.497 -3.645 1.00 0.00 H new ATOM 0 HG SER A 107 -3.123 -1.065 -5.826 1.00 0.00 H new ATOM 1631 N LYS A 108 -2.605 2.273 -4.416 1.00 0.00 N ATOM 1632 CA LYS A 108 -1.762 3.381 -4.849 1.00 0.00 C ATOM 1633 C LYS A 108 -1.398 4.280 -3.672 1.00 0.00 C ATOM 1634 O LYS A 108 -0.245 4.682 -3.517 1.00 0.00 O ATOM 1635 CB LYS A 108 -2.473 4.199 -5.929 1.00 0.00 C ATOM 1636 CG LYS A 108 -3.329 3.360 -6.862 1.00 0.00 C ATOM 1637 CD LYS A 108 -3.376 3.953 -8.260 1.00 0.00 C ATOM 1638 CE LYS A 108 -2.303 3.354 -9.157 1.00 0.00 C ATOM 1639 NZ LYS A 108 -2.233 1.872 -9.024 1.00 0.00 N ATOM 0 H LYS A 108 -3.362 2.043 -5.060 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.844 2.965 -5.263 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.101 4.950 -5.450 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.728 4.735 -6.517 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.931 2.346 -6.909 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -4.341 3.287 -6.462 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -4.358 3.776 -8.698 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -3.242 5.033 -8.203 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.509 3.616 -10.195 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.335 3.787 -8.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.852 1.462 -9.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.612 1.624 -8.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.186 1.494 -8.851 1.00 0.00 H new ATOM 1653 N PHE A 109 -2.390 4.592 -2.843 1.00 0.00 N ATOM 1654 CA PHE A 109 -2.174 5.444 -1.679 1.00 0.00 C ATOM 1655 C PHE A 109 -1.443 4.683 -0.576 1.00 0.00 C ATOM 1656 O PHE A 109 -0.485 5.187 0.010 1.00 0.00 O ATOM 1657 CB PHE A 109 -3.510 5.971 -1.152 1.00 0.00 C ATOM 1658 CG PHE A 109 -4.229 6.862 -2.124 1.00 0.00 C ATOM 1659 CD1 PHE A 109 -3.536 7.815 -2.853 1.00 0.00 C ATOM 1660 CD2 PHE A 109 -5.597 6.748 -2.308 1.00 0.00 C ATOM 1661 CE1 PHE A 109 -4.194 8.637 -3.748 1.00 0.00 C ATOM 1662 CE2 PHE A 109 -6.261 7.566 -3.202 1.00 0.00 C ATOM 1663 CZ PHE A 109 -5.558 8.513 -3.922 1.00 0.00 C ATOM 0 H PHE A 109 -3.350 4.268 -2.956 1.00 0.00 H new ATOM 0 HA PHE A 109 -1.555 6.287 -1.986 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -4.152 5.126 -0.903 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -3.335 6.522 -0.228 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -2.469 7.917 -2.720 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -6.151 6.011 -1.746 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -3.642 9.375 -4.311 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -7.328 7.465 -3.338 1.00 0.00 H new ATOM 0 HZ PHE A 109 -6.075 9.155 -4.620 1.00 0.00 H new ATOM 1673 N TYR A 110 -1.903 3.468 -0.300 1.00 0.00 N ATOM 1674 CA TYR A 110 -1.296 2.638 0.734 1.00 0.00 C ATOM 1675 C TYR A 110 0.226 2.719 0.674 1.00 0.00 C ATOM 1676 O TYR A 110 0.877 3.099 1.647 1.00 0.00 O ATOM 1677 CB TYR A 110 -1.747 1.185 0.581 1.00 0.00 C ATOM 1678 CG TYR A 110 -0.983 0.218 1.458 1.00 0.00 C ATOM 1679 CD1 TYR A 110 -1.318 0.051 2.796 1.00 0.00 C ATOM 1680 CD2 TYR A 110 0.073 -0.527 0.948 1.00 0.00 C ATOM 1681 CE1 TYR A 110 -0.622 -0.831 3.601 1.00 0.00 C ATOM 1682 CE2 TYR A 110 0.773 -1.411 1.746 1.00 0.00 C ATOM 1683 CZ TYR A 110 0.422 -1.560 3.071 1.00 0.00 C ATOM 1684 OH TYR A 110 1.118 -2.439 3.869 1.00 0.00 O ATOM 0 H TYR A 110 -2.694 3.036 -0.778 1.00 0.00 H new ATOM 0 HA TYR A 110 -1.624 3.013 1.704 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -2.809 1.116 0.818 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -1.633 0.886 -0.461 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -2.136 0.620 3.214 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.351 -0.413 -0.089 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.894 -0.949 4.639 1.00 0.00 H new ATOM 0 HE2 TYR A 110 1.591 -1.983 1.334 1.00 0.00 H new ATOM 0 HH TYR A 110 1.821 -2.873 3.342 1.00 0.00 H new ATOM 1694 N GLU A 111 0.786 2.359 -0.476 1.00 0.00 N ATOM 1695 CA GLU A 111 2.232 2.391 -0.664 1.00 0.00 C ATOM 1696 C GLU A 111 2.779 3.798 -0.444 1.00 0.00 C ATOM 1697 O GLU A 111 3.648 4.014 0.402 1.00 0.00 O ATOM 1698 CB GLU A 111 2.597 1.904 -2.068 1.00 0.00 C ATOM 1699 CG GLU A 111 2.245 0.447 -2.318 1.00 0.00 C ATOM 1700 CD GLU A 111 2.232 0.094 -3.793 1.00 0.00 C ATOM 1701 OE1 GLU A 111 3.324 -0.090 -4.369 1.00 0.00 O ATOM 1702 OE2 GLU A 111 1.128 0.002 -4.370 1.00 0.00 O ATOM 0 H GLU A 111 0.261 2.042 -1.291 1.00 0.00 H new ATOM 0 HA GLU A 111 2.683 1.726 0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 111 2.084 2.524 -2.803 1.00 0.00 H new ATOM 0 HB3 GLU A 111 3.667 2.043 -2.225 1.00 0.00 H new ATOM 0 HG2 GLU A 111 2.964 -0.190 -1.802 1.00 0.00 H new ATOM 0 HG3 GLU A 111 1.266 0.235 -1.889 1.00 0.00 H new ATOM 1709 N LEU A 112 2.264 4.753 -1.212 1.00 0.00 N ATOM 1710 CA LEU A 112 2.700 6.141 -1.102 1.00 0.00 C ATOM 1711 C LEU A 112 2.786 6.571 0.359 1.00 0.00 C ATOM 1712 O LEU A 112 3.861 6.906 0.856 1.00 0.00 O ATOM 1713 CB LEU A 112 1.740 7.059 -1.860 1.00 0.00 C ATOM 1714 CG LEU A 112 1.971 8.561 -1.689 1.00 0.00 C ATOM 1715 CD1 LEU A 112 3.153 9.018 -2.531 1.00 0.00 C ATOM 1716 CD2 LEU A 112 0.717 9.339 -2.060 1.00 0.00 C ATOM 0 H LEU A 112 1.545 4.591 -1.917 1.00 0.00 H new ATOM 0 HA LEU A 112 3.693 6.220 -1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.804 6.821 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.723 6.830 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 112 2.199 8.758 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.303 10.089 -2.397 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.050 8.484 -2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.954 8.808 -3.582 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.900 10.406 -1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.458 9.137 -3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.106 9.032 -1.415 1.00 0.00 H new ATOM 1728 N PHE A 113 1.646 6.557 1.042 1.00 0.00 N ATOM 1729 CA PHE A 113 1.593 6.944 2.447 1.00 0.00 C ATOM 1730 C PHE A 113 2.545 6.094 3.283 1.00 0.00 C ATOM 1731 O PHE A 113 3.360 6.619 4.041 1.00 0.00 O ATOM 1732 CB PHE A 113 0.166 6.806 2.982 1.00 0.00 C ATOM 1733 CG PHE A 113 -0.717 7.973 2.643 1.00 0.00 C ATOM 1734 CD1 PHE A 113 -0.478 9.222 3.194 1.00 0.00 C ATOM 1735 CD2 PHE A 113 -1.784 7.822 1.773 1.00 0.00 C ATOM 1736 CE1 PHE A 113 -1.290 10.297 2.884 1.00 0.00 C ATOM 1737 CE2 PHE A 113 -2.599 8.893 1.459 1.00 0.00 C ATOM 1738 CZ PHE A 113 -2.350 10.133 2.014 1.00 0.00 C ATOM 0 H PHE A 113 0.747 6.282 0.646 1.00 0.00 H new ATOM 0 HA PHE A 113 1.904 7.986 2.522 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -0.278 5.896 2.579 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.202 6.691 4.065 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.351 9.357 3.873 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.982 6.855 1.334 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.096 11.265 3.322 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -3.429 8.761 0.781 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.983 10.973 1.768 1.00 0.00 H new ATOM 1748 N ARG A 114 2.436 4.777 3.137 1.00 0.00 N ATOM 1749 CA ARG A 114 3.285 3.853 3.879 1.00 0.00 C ATOM 1750 C ARG A 114 4.753 4.253 3.765 1.00 0.00 C ATOM 1751 O ARG A 114 5.362 4.704 4.734 1.00 0.00 O ATOM 1752 CB ARG A 114 3.093 2.425 3.365 1.00 0.00 C ATOM 1753 CG ARG A 114 3.866 1.384 4.157 1.00 0.00 C ATOM 1754 CD ARG A 114 3.249 0.001 4.010 1.00 0.00 C ATOM 1755 NE ARG A 114 3.571 -0.608 2.722 1.00 0.00 N ATOM 1756 CZ ARG A 114 4.700 -1.264 2.481 1.00 0.00 C ATOM 1757 NH1 ARG A 114 5.611 -1.396 3.436 1.00 0.00 N ATOM 1758 NH2 ARG A 114 4.920 -1.791 1.283 1.00 0.00 N ATOM 0 H ARG A 114 1.768 4.326 2.512 1.00 0.00 H new ATOM 0 HA ARG A 114 2.995 3.896 4.929 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.032 2.177 3.394 1.00 0.00 H new ATOM 0 HB3 ARG A 114 3.403 2.379 2.321 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.901 1.360 3.816 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.884 1.666 5.210 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.606 -0.642 4.814 1.00 0.00 H new ATOM 0 HD3 ARG A 114 2.167 0.074 4.116 1.00 0.00 H new ATOM 0 HE ARG A 114 2.891 -0.525 1.966 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.445 -0.993 4.358 1.00 0.00 H new ATOM 0 HH12 ARG A 114 6.477 -1.900 3.248 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.221 -1.692 0.546 1.00 0.00 H new ATOM 0 HH22 ARG A 114 5.788 -2.295 1.099 1.00 0.00 H new ATOM 1772 N GLY A 115 5.316 4.084 2.572 1.00 0.00 N ATOM 1773 CA GLY A 115 6.708 4.432 2.353 1.00 0.00 C ATOM 1774 C GLY A 115 7.201 4.016 0.981 1.00 0.00 C ATOM 1775 O GLY A 115 6.633 4.412 -0.038 1.00 0.00 O ATOM 0 H GLY A 115 4.833 3.713 1.754 1.00 0.00 H new ATOM 0 HA2 GLY A 115 6.833 5.509 2.469 1.00 0.00 H new ATOM 0 HA3 GLY A 115 7.323 3.955 3.116 1.00 0.00 H new ATOM 1779 N THR A 116 8.262 3.216 0.952 1.00 0.00 N ATOM 1780 CA THR A 116 8.833 2.748 -0.305 1.00 0.00 C ATOM 1781 C THR A 116 9.228 1.279 -0.216 1.00 0.00 C ATOM 1782 O THR A 116 9.739 0.809 0.801 1.00 0.00 O ATOM 1783 CB THR A 116 10.068 3.578 -0.703 1.00 0.00 C ATOM 1784 OG1 THR A 116 10.402 3.331 -2.074 1.00 0.00 O ATOM 1785 CG2 THR A 116 11.257 3.238 0.182 1.00 0.00 C ATOM 0 H THR A 116 8.744 2.878 1.785 1.00 0.00 H new ATOM 0 HA THR A 116 8.063 2.868 -1.067 1.00 0.00 H new ATOM 0 HB THR A 116 9.827 4.633 -0.571 1.00 0.00 H new ATOM 0 HG1 THR A 116 11.187 3.863 -2.320 1.00 0.00 H new ATOM 0 HG21 THR A 116 12.117 3.837 -0.118 1.00 0.00 H new ATOM 0 HG22 THR A 116 11.010 3.453 1.222 1.00 0.00 H new ATOM 0 HG23 THR A 116 11.497 2.180 0.078 1.00 0.00 H new ATOM 1793 N PRO A 117 8.988 0.534 -1.305 1.00 0.00 N ATOM 1794 CA PRO A 117 9.314 -0.894 -1.375 1.00 0.00 C ATOM 1795 C PRO A 117 10.817 -1.145 -1.415 1.00 0.00 C ATOM 1796 O PRO A 117 11.605 -0.225 -1.640 1.00 0.00 O ATOM 1797 CB PRO A 117 8.662 -1.342 -2.686 1.00 0.00 C ATOM 1798 CG PRO A 117 8.592 -0.107 -3.516 1.00 0.00 C ATOM 1799 CD PRO A 117 8.382 1.028 -2.553 1.00 0.00 C ATOM 0 HA PRO A 117 8.959 -1.436 -0.499 1.00 0.00 H new ATOM 0 HB2 PRO A 117 9.252 -2.116 -3.177 1.00 0.00 H new ATOM 0 HB3 PRO A 117 7.670 -1.759 -2.512 1.00 0.00 H new ATOM 0 HG2 PRO A 117 9.510 0.031 -4.088 1.00 0.00 H new ATOM 0 HG3 PRO A 117 7.774 -0.166 -4.234 1.00 0.00 H new ATOM 0 HD2 PRO A 117 8.864 1.943 -2.899 1.00 0.00 H new ATOM 0 HD3 PRO A 117 7.324 1.254 -2.424 1.00 0.00 H new ATOM 1807 N LEU A 118 11.210 -2.394 -1.194 1.00 0.00 N ATOM 1808 CA LEU A 118 12.620 -2.767 -1.205 1.00 0.00 C ATOM 1809 C LEU A 118 12.807 -4.177 -1.756 1.00 0.00 C ATOM 1810 O LEU A 118 11.913 -5.017 -1.655 1.00 0.00 O ATOM 1811 CB LEU A 118 13.202 -2.677 0.207 1.00 0.00 C ATOM 1812 CG LEU A 118 12.947 -1.369 0.956 1.00 0.00 C ATOM 1813 CD1 LEU A 118 13.227 -1.542 2.441 1.00 0.00 C ATOM 1814 CD2 LEU A 118 13.799 -0.249 0.378 1.00 0.00 C ATOM 0 H LEU A 118 10.571 -3.167 -1.005 1.00 0.00 H new ATOM 0 HA LEU A 118 13.150 -2.071 -1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 118 12.795 -3.497 0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 118 14.279 -2.833 0.145 1.00 0.00 H new ATOM 0 HG LEU A 118 11.898 -1.100 0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 118 13.040 -0.601 2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 118 12.574 -2.315 2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 118 14.267 -1.834 2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 118 13.605 0.675 0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 118 14.853 -0.509 0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 118 13.550 -0.108 -0.674 1.00 0.00 H new ATOM 1826 N ARG A 119 13.975 -4.429 -2.338 1.00 0.00 N ATOM 1827 CA ARG A 119 14.280 -5.738 -2.904 1.00 0.00 C ATOM 1828 C ARG A 119 15.745 -6.099 -2.680 1.00 0.00 C ATOM 1829 O ARG A 119 16.634 -5.248 -2.727 1.00 0.00 O ATOM 1830 CB ARG A 119 13.961 -5.756 -4.400 1.00 0.00 C ATOM 1831 CG ARG A 119 14.827 -4.812 -5.219 1.00 0.00 C ATOM 1832 CD ARG A 119 14.751 -5.133 -6.703 1.00 0.00 C ATOM 1833 NE ARG A 119 13.459 -4.766 -7.277 1.00 0.00 N ATOM 1834 CZ ARG A 119 13.137 -3.525 -7.628 1.00 0.00 C ATOM 1835 NH1 ARG A 119 14.008 -2.539 -7.464 1.00 0.00 N ATOM 1836 NH2 ARG A 119 11.942 -3.270 -8.144 1.00 0.00 N ATOM 0 H ARG A 119 14.725 -3.744 -2.430 1.00 0.00 H new ATOM 0 HA ARG A 119 13.661 -6.479 -2.398 1.00 0.00 H new ATOM 0 HB2 ARG A 119 14.087 -6.771 -4.778 1.00 0.00 H new ATOM 0 HB3 ARG A 119 12.914 -5.491 -4.543 1.00 0.00 H new ATOM 0 HG2 ARG A 119 14.506 -3.784 -5.051 1.00 0.00 H new ATOM 0 HG3 ARG A 119 15.862 -4.882 -4.883 1.00 0.00 H new ATOM 0 HD2 ARG A 119 15.545 -4.604 -7.230 1.00 0.00 H new ATOM 0 HD3 ARG A 119 14.925 -6.199 -6.853 1.00 0.00 H new ATOM 0 HE ARG A 119 12.766 -5.502 -7.416 1.00 0.00 H new ATOM 0 HH11 ARG A 119 14.928 -2.732 -7.068 1.00 0.00 H new ATOM 0 HH12 ARG A 119 13.758 -1.588 -7.734 1.00 0.00 H new ATOM 0 HH21 ARG A 119 11.270 -4.026 -8.272 1.00 0.00 H new ATOM 0 HH22 ARG A 119 11.695 -2.318 -8.413 1.00 0.00 H new ATOM 1850 N PRO A 120 16.005 -7.391 -2.431 1.00 0.00 N ATOM 1851 CA PRO A 120 17.361 -7.895 -2.195 1.00 0.00 C ATOM 1852 C PRO A 120 18.218 -7.864 -3.456 1.00 0.00 C ATOM 1853 O PRO A 120 17.706 -7.977 -4.570 1.00 0.00 O ATOM 1854 CB PRO A 120 17.130 -9.338 -1.740 1.00 0.00 C ATOM 1855 CG PRO A 120 15.819 -9.718 -2.338 1.00 0.00 C ATOM 1856 CD PRO A 120 14.994 -8.460 -2.361 1.00 0.00 C ATOM 0 HA PRO A 120 17.901 -7.287 -1.469 1.00 0.00 H new ATOM 0 HB2 PRO A 120 17.928 -9.995 -2.086 1.00 0.00 H new ATOM 0 HB3 PRO A 120 17.105 -9.411 -0.653 1.00 0.00 H new ATOM 0 HG2 PRO A 120 15.950 -10.117 -3.344 1.00 0.00 H new ATOM 0 HG3 PRO A 120 15.331 -10.494 -1.748 1.00 0.00 H new ATOM 0 HD2 PRO A 120 14.323 -8.435 -3.219 1.00 0.00 H new ATOM 0 HD3 PRO A 120 14.374 -8.369 -1.469 1.00 0.00 H new ATOM 1864 N VAL A 121 19.526 -7.712 -3.274 1.00 0.00 N ATOM 1865 CA VAL A 121 20.455 -7.669 -4.397 1.00 0.00 C ATOM 1866 C VAL A 121 21.350 -8.903 -4.418 1.00 0.00 C ATOM 1867 O VAL A 121 21.952 -9.263 -3.406 1.00 0.00 O ATOM 1868 CB VAL A 121 21.338 -6.408 -4.346 1.00 0.00 C ATOM 1869 CG1 VAL A 121 20.487 -5.154 -4.478 1.00 0.00 C ATOM 1870 CG2 VAL A 121 22.151 -6.379 -3.061 1.00 0.00 C ATOM 0 H VAL A 121 19.966 -7.617 -2.359 1.00 0.00 H new ATOM 0 HA VAL A 121 19.853 -7.646 -5.305 1.00 0.00 H new ATOM 0 HB VAL A 121 22.031 -6.437 -5.187 1.00 0.00 H new ATOM 0 HG11 VAL A 121 21.128 -4.273 -4.440 1.00 0.00 H new ATOM 0 HG12 VAL A 121 19.954 -5.174 -5.429 1.00 0.00 H new ATOM 0 HG13 VAL A 121 19.768 -5.115 -3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 121 22.769 -5.481 -3.042 1.00 0.00 H new ATOM 0 HG22 VAL A 121 21.477 -6.374 -2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 121 22.790 -7.261 -3.015 1.00 0.00 H new TER 1880 VAL A 121